USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 8 HIS : no HD1:sc= 0.696 K(o=0.7,f=-2.5!) USER MOD Single : A 11 TYR OH : rot -92:sc= -0.203 USER MOD Single : A 14 GLN : amide:sc= -0.352 K(o=-0.35,f=-0.9) USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= -10.3! (180deg=-10.7!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0435 (180deg=-0.501) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0982 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 42 CYS SG : rot 40:sc= -0.551 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 84:sc= -0.269! USER MOD Single : A 64 GLN : amide:sc=-0.00817 K(o=-0.0082,f=-1.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.12 K(o=-3.1,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot -70:sc= 0.565 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.737! C(o=-0.74!,f=-3.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 5 115.320 9.662 4.112 1.00 0.00 N ATOM 83 CA LEU A 5 115.620 8.392 4.762 1.00 0.00 C ATOM 84 C LEU A 5 115.127 8.398 6.206 1.00 0.00 C ATOM 85 O LEU A 5 114.739 7.362 6.745 1.00 0.00 O ATOM 86 CB LEU A 5 117.127 8.135 4.736 1.00 0.00 C ATOM 87 CG LEU A 5 117.414 6.724 5.256 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.762 5.697 4.330 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.926 6.492 5.289 1.00 0.00 C ATOM 0 HA LEU A 5 115.107 7.598 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.508 8.244 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.643 8.872 5.351 1.00 0.00 H new ATOM 0 HG LEU A 5 117.007 6.617 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.966 4.692 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.685 5.862 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 5 117.169 5.803 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.132 5.488 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.332 6.599 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.392 7.224 5.948 1.00 0.00 H new ATOM 101 N SER A 6 115.144 9.575 6.825 1.00 0.00 N ATOM 102 CA SER A 6 114.676 9.708 8.201 1.00 0.00 C ATOM 103 C SER A 6 113.247 9.195 8.332 1.00 0.00 C ATOM 104 O SER A 6 112.879 8.606 9.349 1.00 0.00 O ATOM 105 CB SER A 6 114.735 11.174 8.631 1.00 0.00 C ATOM 106 OG SER A 6 116.089 11.610 8.628 1.00 0.00 O ATOM 0 H SER A 6 115.473 10.442 6.401 1.00 0.00 H new ATOM 0 HA SER A 6 115.324 9.113 8.845 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.142 11.788 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 114.305 11.291 9.626 1.00 0.00 H new ATOM 0 HG SER A 6 116.131 12.550 8.902 1.00 0.00 H new ATOM 112 N GLN A 7 112.444 9.421 7.297 1.00 0.00 N ATOM 113 CA GLN A 7 111.055 8.975 7.308 1.00 0.00 C ATOM 114 C GLN A 7 110.976 7.474 7.563 1.00 0.00 C ATOM 115 O GLN A 7 110.123 7.006 8.317 1.00 0.00 O ATOM 116 CB GLN A 7 110.390 9.304 5.971 1.00 0.00 C ATOM 117 CG GLN A 7 110.272 10.822 5.818 1.00 0.00 C ATOM 118 CD GLN A 7 109.712 11.166 4.442 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.452 10.273 3.637 1.00 0.00 O ATOM 120 NE2 GLN A 7 109.512 12.415 4.124 1.00 0.00 N ATOM 0 H GLN A 7 112.728 9.907 6.446 1.00 0.00 H new ATOM 0 HA GLN A 7 110.532 9.496 8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 7 110.975 8.890 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 7 109.402 8.845 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 7 109.622 11.225 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 7 111.250 11.286 5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 7 109.729 13.153 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 7 109.139 12.654 3.205 1.00 0.00 H new ATOM 129 N HIS A 8 111.870 6.723 6.927 1.00 0.00 N ATOM 130 CA HIS A 8 111.899 5.276 7.101 1.00 0.00 C ATOM 131 C HIS A 8 112.074 4.915 8.572 1.00 0.00 C ATOM 132 O HIS A 8 111.311 4.122 9.123 1.00 0.00 O ATOM 133 CB HIS A 8 113.047 4.675 6.287 1.00 0.00 C ATOM 134 CG HIS A 8 113.069 3.183 6.476 1.00 0.00 C ATOM 135 ND1 HIS A 8 112.100 2.355 5.932 1.00 0.00 N ATOM 136 CD2 HIS A 8 113.937 2.356 7.146 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.404 1.091 6.281 1.00 0.00 C ATOM 138 NE2 HIS A 8 113.515 1.035 7.022 1.00 0.00 N ATOM 0 H HIS A 8 112.579 7.089 6.291 1.00 0.00 H new ATOM 0 HA HIS A 8 110.951 4.869 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 8 112.924 4.917 5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.996 5.106 6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 8 114.814 2.681 7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 8 111.821 0.227 5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 8 113.958 0.203 7.413 1.00 0.00 H new ATOM 147 N GLU A 9 113.084 5.505 9.205 1.00 0.00 N ATOM 148 CA GLU A 9 113.323 5.271 10.625 1.00 0.00 C ATOM 149 C GLU A 9 112.029 5.417 11.418 1.00 0.00 C ATOM 150 O GLU A 9 111.792 4.684 12.378 1.00 0.00 O ATOM 151 CB GLU A 9 114.361 6.265 11.149 1.00 0.00 C ATOM 152 CG GLU A 9 115.725 5.955 10.530 1.00 0.00 C ATOM 153 CD GLU A 9 116.750 6.990 10.982 1.00 0.00 C ATOM 154 OE1 GLU A 9 116.404 7.812 11.814 1.00 0.00 O ATOM 155 OE2 GLU A 9 117.865 6.945 10.489 1.00 0.00 O ATOM 0 H GLU A 9 113.745 6.143 8.762 1.00 0.00 H new ATOM 0 HA GLU A 9 113.698 4.255 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.061 7.284 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.421 6.205 12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 9 116.049 4.957 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 9 115.649 5.957 9.443 1.00 0.00 H new ATOM 162 N ARG A 10 111.194 6.368 11.010 1.00 0.00 N ATOM 163 CA ARG A 10 109.922 6.594 11.685 1.00 0.00 C ATOM 164 C ARG A 10 108.899 5.543 11.266 1.00 0.00 C ATOM 165 O ARG A 10 108.237 4.936 12.109 1.00 0.00 O ATOM 166 CB ARG A 10 109.391 7.988 11.346 1.00 0.00 C ATOM 167 CG ARG A 10 110.442 9.038 11.715 1.00 0.00 C ATOM 168 CD ARG A 10 109.910 10.432 11.377 1.00 0.00 C ATOM 169 NE ARG A 10 110.911 11.444 11.697 1.00 0.00 N ATOM 170 CZ ARG A 10 111.005 11.954 12.921 1.00 0.00 C ATOM 171 NH1 ARG A 10 111.908 12.860 13.183 1.00 0.00 N ATOM 172 NH2 ARG A 10 110.193 11.552 13.861 1.00 0.00 N ATOM 0 H ARG A 10 111.374 6.990 10.222 1.00 0.00 H new ATOM 0 HA ARG A 10 110.085 6.519 12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.156 8.051 10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.465 8.178 11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.678 8.975 12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.368 8.848 11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 10 109.654 10.485 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 10 108.995 10.626 11.936 1.00 0.00 H new ATOM 0 HE ARG A 10 111.549 11.766 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.541 13.176 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 10 111.980 13.251 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.486 10.846 13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.266 11.944 14.800 1.00 0.00 H new ATOM 186 N TYR A 11 108.774 5.333 9.960 1.00 0.00 N ATOM 187 CA TYR A 11 107.846 4.335 9.441 1.00 0.00 C ATOM 188 C TYR A 11 107.996 3.019 10.201 1.00 0.00 C ATOM 189 O TYR A 11 107.004 2.396 10.581 1.00 0.00 O ATOM 190 CB TYR A 11 108.110 4.100 7.953 1.00 0.00 C ATOM 191 CG TYR A 11 107.253 2.956 7.464 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.760 1.651 7.465 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.952 3.201 7.010 1.00 0.00 C ATOM 194 CE1 TYR A 11 106.966 0.591 7.012 1.00 0.00 C ATOM 195 CE2 TYR A 11 105.157 2.140 6.557 1.00 0.00 C ATOM 196 CZ TYR A 11 105.665 0.837 6.558 1.00 0.00 C ATOM 197 OH TYR A 11 104.882 -0.208 6.111 1.00 0.00 O ATOM 0 H TYR A 11 109.300 5.837 9.246 1.00 0.00 H new ATOM 0 HA TYR A 11 106.830 4.706 9.575 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.887 5.004 7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 11 109.164 3.874 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.764 1.462 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.561 4.208 7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 11 107.357 -0.416 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 11 104.153 2.328 6.207 1.00 0.00 H new ATOM 0 HH TYR A 11 104.992 -0.308 5.142 1.00 0.00 H new ATOM 207 N VAL A 12 109.239 2.605 10.416 1.00 0.00 N ATOM 208 CA VAL A 12 109.506 1.348 11.107 1.00 0.00 C ATOM 209 C VAL A 12 108.946 1.388 12.525 1.00 0.00 C ATOM 210 O VAL A 12 108.183 0.511 12.927 1.00 0.00 O ATOM 211 CB VAL A 12 111.012 1.090 11.158 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.319 0.070 12.255 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.479 0.539 9.808 1.00 0.00 C ATOM 0 H VAL A 12 110.072 3.116 10.125 1.00 0.00 H new ATOM 0 HA VAL A 12 109.019 0.542 10.558 1.00 0.00 H new ATOM 0 HB VAL A 12 111.533 2.023 11.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.393 -0.114 12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.985 0.459 13.217 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.798 -0.863 12.040 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.553 0.354 9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.957 -0.394 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.260 1.264 9.024 1.00 0.00 H new ATOM 223 N GLU A 13 109.333 2.412 13.280 1.00 0.00 N ATOM 224 CA GLU A 13 108.873 2.550 14.657 1.00 0.00 C ATOM 225 C GLU A 13 107.375 2.835 14.696 1.00 0.00 C ATOM 226 O GLU A 13 106.639 2.233 15.479 1.00 0.00 O ATOM 227 CB GLU A 13 109.629 3.687 15.349 1.00 0.00 C ATOM 228 CG GLU A 13 111.106 3.312 15.482 1.00 0.00 C ATOM 229 CD GLU A 13 111.891 4.484 16.061 1.00 0.00 C ATOM 230 OE1 GLU A 13 113.104 4.380 16.133 1.00 0.00 O ATOM 231 OE2 GLU A 13 111.267 5.468 16.422 1.00 0.00 O ATOM 0 H GLU A 13 109.959 3.153 12.964 1.00 0.00 H new ATOM 0 HA GLU A 13 109.067 1.614 15.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.527 4.608 14.775 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.201 3.876 16.333 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.212 2.439 16.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.510 3.039 14.507 1.00 0.00 H new ATOM 238 N GLN A 14 106.930 3.755 13.847 1.00 0.00 N ATOM 239 CA GLN A 14 105.520 4.124 13.806 1.00 0.00 C ATOM 240 C GLN A 14 104.672 2.948 13.332 1.00 0.00 C ATOM 241 O GLN A 14 104.040 2.261 14.135 1.00 0.00 O ATOM 242 CB GLN A 14 105.318 5.313 12.863 1.00 0.00 C ATOM 243 CG GLN A 14 103.870 5.797 12.955 1.00 0.00 C ATOM 244 CD GLN A 14 103.569 6.276 14.371 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.406 6.922 15.000 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.416 5.994 14.913 1.00 0.00 N ATOM 0 H GLN A 14 107.520 4.256 13.183 1.00 0.00 H new ATOM 0 HA GLN A 14 105.207 4.401 14.813 1.00 0.00 H new ATOM 0 HB2 GLN A 14 106.000 6.121 13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.551 5.022 11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.703 6.607 12.245 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.190 4.990 12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.724 5.458 14.389 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.207 6.309 15.860 1.00 0.00 H new ATOM 255 N LEU A 15 104.663 2.721 12.022 1.00 0.00 N ATOM 256 CA LEU A 15 103.884 1.627 11.452 1.00 0.00 C ATOM 257 C LEU A 15 103.774 0.473 12.443 1.00 0.00 C ATOM 258 O LEU A 15 102.685 -0.045 12.688 1.00 0.00 O ATOM 259 CB LEU A 15 104.544 1.133 10.162 1.00 0.00 C ATOM 260 CG LEU A 15 103.474 0.573 9.224 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.661 -0.495 9.956 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.545 1.704 8.779 1.00 0.00 C ATOM 0 H LEU A 15 105.182 3.275 11.340 1.00 0.00 H new ATOM 0 HA LEU A 15 102.883 1.996 11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.076 1.951 9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.282 0.364 10.390 1.00 0.00 H new ATOM 0 HG LEU A 15 103.953 0.130 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.898 -0.894 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.322 -1.301 10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.182 -0.053 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.782 1.306 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.067 2.147 9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.124 2.466 8.257 1.00 0.00 H new ATOM 274 N LYS A 16 104.909 0.076 13.009 1.00 0.00 N ATOM 275 CA LYS A 16 104.929 -1.023 13.967 1.00 0.00 C ATOM 276 C LYS A 16 104.068 -0.693 15.181 1.00 0.00 C ATOM 277 O LYS A 16 103.341 -1.546 15.690 1.00 0.00 O ATOM 278 CB LYS A 16 106.365 -1.297 14.418 1.00 0.00 C ATOM 279 CG LYS A 16 107.090 -2.113 13.344 1.00 0.00 C ATOM 280 CD LYS A 16 108.480 -2.502 13.851 1.00 0.00 C ATOM 281 CE LYS A 16 109.153 -3.431 12.838 1.00 0.00 C ATOM 282 NZ LYS A 16 110.119 -4.319 13.543 1.00 0.00 N ATOM 0 H LYS A 16 105.820 0.495 12.823 1.00 0.00 H new ATOM 0 HA LYS A 16 104.525 -1.911 13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.889 -0.357 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.363 -1.840 15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.516 -3.007 13.102 1.00 0.00 H new ATOM 0 HG3 LYS A 16 107.176 -1.531 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.087 -1.609 14.000 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.400 -2.998 14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 108.402 -4.030 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.670 -2.845 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 111.062 -4.214 13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 110.162 -4.056 14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.809 -5.308 13.456 1.00 0.00 H new ATOM 296 N GLN A 17 104.154 0.551 15.641 1.00 0.00 N ATOM 297 CA GLN A 17 103.346 0.996 16.770 1.00 0.00 C ATOM 298 C GLN A 17 101.867 1.008 16.398 1.00 0.00 C ATOM 299 O GLN A 17 101.055 0.321 17.017 1.00 0.00 O ATOM 300 CB GLN A 17 103.778 2.398 17.202 1.00 0.00 C ATOM 301 CG GLN A 17 105.047 2.302 18.052 1.00 0.00 C ATOM 302 CD GLN A 17 105.606 3.697 18.312 1.00 0.00 C ATOM 303 OE1 GLN A 17 105.042 4.689 17.850 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.689 3.832 19.028 1.00 0.00 N ATOM 0 H GLN A 17 104.771 1.264 15.252 1.00 0.00 H new ATOM 0 HA GLN A 17 103.495 0.301 17.596 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.961 3.020 16.326 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.981 2.876 17.772 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.825 1.808 18.998 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.792 1.692 17.541 1.00 0.00 H new ATOM 0 HE21 GLN A 17 107.154 3.008 19.410 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.070 4.761 19.206 1.00 0.00 H new ATOM 313 N ALA A 18 101.524 1.797 15.384 1.00 0.00 N ATOM 314 CA ALA A 18 100.148 1.853 14.905 1.00 0.00 C ATOM 315 C ALA A 18 99.605 0.447 14.669 1.00 0.00 C ATOM 316 O ALA A 18 98.396 0.251 14.547 1.00 0.00 O ATOM 317 CB ALA A 18 100.080 2.653 13.602 1.00 0.00 C ATOM 0 H ALA A 18 102.174 2.402 14.882 1.00 0.00 H new ATOM 0 HA ALA A 18 99.539 2.343 15.664 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.049 2.690 13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.440 3.667 13.778 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.703 2.173 12.847 1.00 0.00 H new ATOM 323 N LEU A 19 100.506 -0.527 14.605 1.00 0.00 N ATOM 324 CA LEU A 19 100.104 -1.915 14.407 1.00 0.00 C ATOM 325 C LEU A 19 99.822 -2.588 15.746 1.00 0.00 C ATOM 326 O LEU A 19 98.777 -3.214 15.930 1.00 0.00 O ATOM 327 CB LEU A 19 101.206 -2.679 13.671 1.00 0.00 C ATOM 328 CG LEU A 19 100.831 -2.823 12.195 1.00 0.00 C ATOM 329 CD1 LEU A 19 102.011 -3.415 11.424 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.622 -3.752 12.067 1.00 0.00 C ATOM 0 H LEU A 19 101.513 -0.383 14.687 1.00 0.00 H new ATOM 0 HA LEU A 19 99.193 -1.927 13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.155 -2.151 13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.343 -3.663 14.120 1.00 0.00 H new ATOM 0 HG LEU A 19 100.584 -1.844 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.744 -3.518 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.874 -2.755 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.258 -4.395 11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.353 -3.856 11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.870 -4.731 12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.780 -3.332 12.617 1.00 0.00 H new ATOM 342 N LYS A 20 100.761 -2.455 16.678 1.00 0.00 N ATOM 343 CA LYS A 20 100.605 -3.060 17.996 1.00 0.00 C ATOM 344 C LYS A 20 99.182 -2.866 18.510 1.00 0.00 C ATOM 345 O LYS A 20 98.614 -3.756 19.143 1.00 0.00 O ATOM 346 CB LYS A 20 101.596 -2.434 18.979 1.00 0.00 C ATOM 347 CG LYS A 20 101.501 -3.151 20.326 1.00 0.00 C ATOM 348 CD LYS A 20 102.539 -2.569 21.289 1.00 0.00 C ATOM 349 CE LYS A 20 102.476 -3.317 22.622 1.00 0.00 C ATOM 350 NZ LYS A 20 103.471 -2.734 23.565 1.00 0.00 N ATOM 0 H LYS A 20 101.631 -1.938 16.547 1.00 0.00 H new ATOM 0 HA LYS A 20 100.805 -4.128 17.911 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.610 -2.508 18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.380 -1.373 19.104 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.500 -3.036 20.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.671 -4.220 20.194 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.537 -2.654 20.859 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.349 -1.507 21.447 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.474 -3.246 23.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.682 -4.376 22.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.429 -3.242 24.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.425 -2.824 23.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.254 -1.729 23.721 1.00 0.00 H new ATOM 364 N THR A 21 98.614 -1.697 18.236 1.00 0.00 N ATOM 365 CA THR A 21 97.261 -1.391 18.687 1.00 0.00 C ATOM 366 C THR A 21 96.252 -2.329 18.030 1.00 0.00 C ATOM 367 O THR A 21 95.230 -2.670 18.622 1.00 0.00 O ATOM 368 CB THR A 21 96.911 0.058 18.347 1.00 0.00 C ATOM 369 OG1 THR A 21 95.511 0.252 18.490 1.00 0.00 O ATOM 370 CG2 THR A 21 97.325 0.360 16.905 1.00 0.00 C ATOM 0 H THR A 21 99.065 -0.950 17.708 1.00 0.00 H new ATOM 0 HA THR A 21 97.219 -1.530 19.767 1.00 0.00 H new ATOM 0 HB THR A 21 97.442 0.728 19.023 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.286 1.181 18.274 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.075 1.393 16.663 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.399 0.212 16.796 1.00 0.00 H new ATOM 0 HG23 THR A 21 96.796 -0.309 16.227 1.00 0.00 H new ATOM 378 N ARG A 22 96.549 -2.740 16.801 1.00 0.00 N ATOM 379 CA ARG A 22 95.653 -3.626 16.066 1.00 0.00 C ATOM 380 C ARG A 22 95.699 -5.035 16.647 1.00 0.00 C ATOM 381 O ARG A 22 94.928 -5.908 16.246 1.00 0.00 O ATOM 382 CB ARG A 22 96.055 -3.666 14.590 1.00 0.00 C ATOM 383 CG ARG A 22 95.438 -2.472 13.860 1.00 0.00 C ATOM 384 CD ARG A 22 94.033 -2.838 13.378 1.00 0.00 C ATOM 385 NE ARG A 22 94.107 -3.825 12.307 1.00 0.00 N ATOM 386 CZ ARG A 22 94.246 -3.454 11.038 1.00 0.00 C ATOM 387 NH1 ARG A 22 94.311 -4.356 10.098 1.00 0.00 N ATOM 388 NH2 ARG A 22 94.317 -2.187 10.733 1.00 0.00 N ATOM 0 H ARG A 22 97.396 -2.477 16.297 1.00 0.00 H new ATOM 0 HA ARG A 22 94.637 -3.242 16.155 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.141 -3.641 14.497 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.718 -4.597 14.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.392 -1.610 14.525 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.062 -2.188 13.013 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.448 -3.235 14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.518 -1.945 13.024 1.00 0.00 H new ATOM 0 HE ARG A 22 94.051 -4.817 12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.255 -5.346 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.418 -4.071 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 22 94.266 -1.482 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.424 -1.902 9.759 1.00 0.00 H new ATOM 402 N GLY A 23 96.607 -5.252 17.592 1.00 0.00 N ATOM 403 CA GLY A 23 96.734 -6.555 18.232 1.00 0.00 C ATOM 404 C GLY A 23 97.988 -7.278 17.755 1.00 0.00 C ATOM 405 O GLY A 23 98.055 -8.507 17.777 1.00 0.00 O ATOM 0 H GLY A 23 97.262 -4.547 17.930 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.771 -6.430 19.314 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.855 -7.160 18.011 1.00 0.00 H new ATOM 409 N VAL A 24 98.980 -6.507 17.322 1.00 0.00 N ATOM 410 CA VAL A 24 100.233 -7.085 16.850 1.00 0.00 C ATOM 411 C VAL A 24 101.346 -6.859 17.869 1.00 0.00 C ATOM 412 O VAL A 24 101.182 -6.095 18.821 1.00 0.00 O ATOM 413 CB VAL A 24 100.628 -6.455 15.513 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.788 -7.241 14.900 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.431 -6.489 14.562 1.00 0.00 C ATOM 0 H VAL A 24 98.942 -5.488 17.288 1.00 0.00 H new ATOM 0 HA VAL A 24 100.089 -8.157 16.718 1.00 0.00 H new ATOM 0 HB VAL A 24 100.936 -5.422 15.675 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.069 -6.792 13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.641 -7.218 15.578 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.482 -8.274 14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.711 -6.040 13.609 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.124 -7.522 14.401 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.604 -5.929 14.998 1.00 0.00 H new ATOM 425 N LYS A 25 102.476 -7.528 17.663 1.00 0.00 N ATOM 426 CA LYS A 25 103.619 -7.371 18.555 1.00 0.00 C ATOM 427 C LYS A 25 104.797 -6.752 17.812 1.00 0.00 C ATOM 428 O LYS A 25 105.010 -7.024 16.630 1.00 0.00 O ATOM 429 CB LYS A 25 104.028 -8.731 19.123 1.00 0.00 C ATOM 430 CG LYS A 25 102.892 -9.288 19.984 1.00 0.00 C ATOM 431 CD LYS A 25 103.305 -10.645 20.557 1.00 0.00 C ATOM 432 CE LYS A 25 102.164 -11.211 21.403 1.00 0.00 C ATOM 433 NZ LYS A 25 101.918 -10.316 22.570 1.00 0.00 N ATOM 0 H LYS A 25 102.624 -8.179 16.892 1.00 0.00 H new ATOM 0 HA LYS A 25 103.331 -6.708 19.371 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.256 -9.422 18.312 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.935 -8.630 19.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.661 -8.595 20.793 1.00 0.00 H new ATOM 0 HG3 LYS A 25 101.987 -9.394 19.386 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.549 -11.334 19.748 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.203 -10.537 21.165 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.259 -11.298 20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.416 -12.214 21.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.392 -10.836 23.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 102.827 -9.996 22.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.363 -9.491 22.264 1.00 0.00 H new ATOM 447 N VAL A 26 105.560 -5.918 18.512 1.00 0.00 N ATOM 448 CA VAL A 26 106.700 -5.245 17.900 1.00 0.00 C ATOM 449 C VAL A 26 107.982 -5.566 18.661 1.00 0.00 C ATOM 450 O VAL A 26 108.400 -4.812 19.540 1.00 0.00 O ATOM 451 CB VAL A 26 106.473 -3.733 17.895 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.171 -3.414 17.157 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.378 -3.227 19.336 1.00 0.00 C ATOM 0 H VAL A 26 105.411 -5.693 19.496 1.00 0.00 H new ATOM 0 HA VAL A 26 106.800 -5.600 16.874 1.00 0.00 H new ATOM 0 HB VAL A 26 107.306 -3.243 17.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 105.009 -2.336 17.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.237 -3.774 16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.338 -3.904 17.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.216 -2.149 19.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.545 -3.718 19.840 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.305 -3.453 19.863 1.00 0.00 H new ATOM 463 N LYS A 27 108.602 -6.690 18.317 1.00 0.00 N ATOM 464 CA LYS A 27 109.852 -7.087 18.956 1.00 0.00 C ATOM 465 C LYS A 27 111.016 -6.970 17.976 1.00 0.00 C ATOM 466 O LYS A 27 110.815 -6.908 16.764 1.00 0.00 O ATOM 467 CB LYS A 27 109.748 -8.529 19.456 1.00 0.00 C ATOM 468 CG LYS A 27 110.733 -8.742 20.608 1.00 0.00 C ATOM 469 CD LYS A 27 111.899 -9.610 20.128 1.00 0.00 C ATOM 470 CE LYS A 27 112.768 -10.003 21.325 1.00 0.00 C ATOM 471 NZ LYS A 27 113.872 -10.892 20.865 1.00 0.00 N ATOM 0 H LYS A 27 108.263 -7.338 17.605 1.00 0.00 H new ATOM 0 HA LYS A 27 110.034 -6.422 19.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 108.731 -8.737 19.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.966 -9.223 18.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.104 -7.782 20.966 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.230 -9.222 21.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.521 -10.503 19.630 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.495 -9.065 19.396 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.178 -9.111 21.799 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.164 -10.513 22.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 114.463 -11.160 21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 113.471 -11.748 20.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 114.453 -10.389 20.164 1.00 0.00 H new ATOM 485 N TYR A 28 112.232 -6.939 18.510 1.00 0.00 N ATOM 486 CA TYR A 28 113.421 -6.819 17.674 1.00 0.00 C ATOM 487 C TYR A 28 113.413 -7.879 16.577 1.00 0.00 C ATOM 488 O TYR A 28 113.937 -7.659 15.485 1.00 0.00 O ATOM 489 CB TYR A 28 114.679 -6.975 18.529 1.00 0.00 C ATOM 490 CG TYR A 28 115.899 -6.949 17.639 1.00 0.00 C ATOM 491 CD1 TYR A 28 116.659 -8.111 17.459 1.00 0.00 C ATOM 492 CD2 TYR A 28 116.270 -5.763 16.994 1.00 0.00 C ATOM 493 CE1 TYR A 28 117.790 -8.087 16.634 1.00 0.00 C ATOM 494 CE2 TYR A 28 117.401 -5.739 16.169 1.00 0.00 C ATOM 495 CZ TYR A 28 118.161 -6.901 15.989 1.00 0.00 C ATOM 496 OH TYR A 28 119.275 -6.877 15.176 1.00 0.00 O ATOM 0 H TYR A 28 112.420 -6.995 19.511 1.00 0.00 H new ATOM 0 HA TYR A 28 113.418 -5.833 17.210 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.734 -6.172 19.264 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.640 -7.912 19.084 1.00 0.00 H new ATOM 0 HD1 TYR A 28 116.373 -9.026 17.957 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.684 -4.867 17.133 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.376 -8.983 16.495 1.00 0.00 H new ATOM 0 HE2 TYR A 28 117.687 -4.824 15.671 1.00 0.00 H new ATOM 0 HH TYR A 28 119.390 -5.977 14.805 1.00 0.00 H new ATOM 506 N ALA A 29 112.815 -9.028 16.876 1.00 0.00 N ATOM 507 CA ALA A 29 112.739 -10.113 15.904 1.00 0.00 C ATOM 508 C ALA A 29 111.952 -9.676 14.673 1.00 0.00 C ATOM 509 O ALA A 29 112.110 -10.240 13.590 1.00 0.00 O ATOM 510 CB ALA A 29 112.067 -11.333 16.536 1.00 0.00 C ATOM 0 H ALA A 29 112.379 -9.231 17.776 1.00 0.00 H new ATOM 0 HA ALA A 29 113.752 -10.374 15.599 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.014 -12.139 15.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 112.648 -11.663 17.397 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.060 -11.068 16.857 1.00 0.00 H new ATOM 516 N ASP A 30 111.102 -8.669 14.847 1.00 0.00 N ATOM 517 CA ASP A 30 110.273 -8.183 13.749 1.00 0.00 C ATOM 518 C ASP A 30 111.116 -7.404 12.746 1.00 0.00 C ATOM 519 O ASP A 30 110.948 -7.547 11.535 1.00 0.00 O ATOM 520 CB ASP A 30 109.161 -7.285 14.293 1.00 0.00 C ATOM 521 CG ASP A 30 108.171 -8.114 15.105 1.00 0.00 C ATOM 522 OD1 ASP A 30 108.275 -9.328 15.068 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.323 -7.521 15.752 1.00 0.00 O ATOM 0 H ASP A 30 110.969 -8.177 15.730 1.00 0.00 H new ATOM 0 HA ASP A 30 109.831 -9.042 13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.589 -6.500 14.917 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.645 -6.792 13.469 1.00 0.00 H new ATOM 528 N LEU A 31 112.023 -6.577 13.258 1.00 0.00 N ATOM 529 CA LEU A 31 112.892 -5.784 12.396 1.00 0.00 C ATOM 530 C LEU A 31 113.733 -6.690 11.503 1.00 0.00 C ATOM 531 O LEU A 31 113.887 -6.432 10.310 1.00 0.00 O ATOM 532 CB LEU A 31 113.811 -4.906 13.247 1.00 0.00 C ATOM 533 CG LEU A 31 113.047 -3.664 13.711 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.501 -3.896 15.120 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.992 -2.460 13.722 1.00 0.00 C ATOM 0 H LEU A 31 112.174 -6.439 14.257 1.00 0.00 H new ATOM 0 HA LEU A 31 112.267 -5.151 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.171 -5.467 14.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.687 -4.612 12.669 1.00 0.00 H new ATOM 0 HG LEU A 31 112.219 -3.471 13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.957 -3.011 15.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.828 -4.754 15.113 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.328 -4.089 15.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.449 -1.574 14.052 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.820 -2.654 14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.381 -2.293 12.717 1.00 0.00 H new ATOM 547 N LEU A 32 114.276 -7.751 12.090 1.00 0.00 N ATOM 548 CA LEU A 32 115.115 -8.680 11.341 1.00 0.00 C ATOM 549 C LEU A 32 114.426 -9.103 10.049 1.00 0.00 C ATOM 550 O LEU A 32 114.881 -8.773 8.954 1.00 0.00 O ATOM 551 CB LEU A 32 115.413 -9.917 12.191 1.00 0.00 C ATOM 552 CG LEU A 32 115.996 -9.483 13.538 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.266 -10.718 14.399 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.307 -8.729 13.304 1.00 0.00 C ATOM 0 H LEU A 32 114.152 -7.988 13.074 1.00 0.00 H new ATOM 0 HA LEU A 32 116.049 -8.176 11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.501 -10.493 12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.116 -10.568 11.671 1.00 0.00 H new ATOM 0 HG LEU A 32 115.287 -8.832 14.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.681 -10.409 15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.333 -11.257 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 32 116.976 -11.369 13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.724 -8.419 14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.016 -9.381 12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.116 -7.849 12.689 1.00 0.00 H new ATOM 566 N LYS A 33 113.325 -9.834 10.183 1.00 0.00 N ATOM 567 CA LYS A 33 112.602 -10.331 9.019 1.00 0.00 C ATOM 568 C LYS A 33 111.929 -9.182 8.275 1.00 0.00 C ATOM 569 O LYS A 33 112.128 -9.007 7.073 1.00 0.00 O ATOM 570 CB LYS A 33 111.544 -11.348 9.454 1.00 0.00 C ATOM 571 CG LYS A 33 110.911 -11.988 8.217 1.00 0.00 C ATOM 572 CD LYS A 33 109.933 -13.081 8.652 1.00 0.00 C ATOM 573 CE LYS A 33 109.318 -13.739 7.415 1.00 0.00 C ATOM 574 NZ LYS A 33 108.392 -14.827 7.839 1.00 0.00 N ATOM 0 H LYS A 33 112.916 -10.094 11.080 1.00 0.00 H new ATOM 0 HA LYS A 33 113.316 -10.813 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.998 -12.115 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.778 -10.857 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.390 -11.232 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.685 -12.411 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.450 -13.828 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.149 -12.654 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.779 -12.997 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.104 -14.144 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.974 -15.274 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.919 -15.539 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.636 -14.428 8.431 1.00 0.00 H new ATOM 588 N PHE A 34 111.133 -8.401 8.998 1.00 0.00 N ATOM 589 CA PHE A 34 110.385 -7.311 8.382 1.00 0.00 C ATOM 590 C PHE A 34 111.315 -6.417 7.567 1.00 0.00 C ATOM 591 O PHE A 34 111.004 -6.050 6.434 1.00 0.00 O ATOM 592 CB PHE A 34 109.691 -6.479 9.462 1.00 0.00 C ATOM 593 CG PHE A 34 108.760 -5.485 8.811 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.505 -5.900 8.348 1.00 0.00 C ATOM 595 CD2 PHE A 34 109.151 -4.148 8.670 1.00 0.00 C ATOM 596 CE1 PHE A 34 106.641 -4.978 7.745 1.00 0.00 C ATOM 597 CE2 PHE A 34 108.287 -3.226 8.066 1.00 0.00 C ATOM 598 CZ PHE A 34 107.032 -3.641 7.604 1.00 0.00 C ATOM 0 H PHE A 34 110.990 -8.501 10.003 1.00 0.00 H new ATOM 0 HA PHE A 34 109.636 -7.739 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.132 -7.130 10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.433 -5.957 10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 34 107.204 -6.931 8.456 1.00 0.00 H new ATOM 0 HD2 PHE A 34 110.119 -3.828 9.027 1.00 0.00 H new ATOM 0 HE1 PHE A 34 105.673 -5.298 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 34 108.589 -2.195 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.366 -2.930 7.139 1.00 0.00 H new ATOM 608 N PHE A 35 112.457 -6.070 8.153 1.00 0.00 N ATOM 609 CA PHE A 35 113.402 -5.177 7.492 1.00 0.00 C ATOM 610 C PHE A 35 114.033 -5.863 6.285 1.00 0.00 C ATOM 611 O PHE A 35 114.188 -5.257 5.225 1.00 0.00 O ATOM 612 CB PHE A 35 114.498 -4.758 8.473 1.00 0.00 C ATOM 613 CG PHE A 35 115.260 -3.584 7.906 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.217 -3.789 6.905 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.009 -2.291 8.381 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.924 -2.701 6.379 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.715 -1.203 7.854 1.00 0.00 C ATOM 618 CZ PHE A 35 116.673 -1.408 6.854 1.00 0.00 C ATOM 0 H PHE A 35 112.749 -6.390 9.076 1.00 0.00 H new ATOM 0 HA PHE A 35 112.861 -4.294 7.152 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.058 -4.490 9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.176 -5.592 8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.410 -4.786 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.271 -2.133 9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.663 -2.859 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.521 -0.205 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 35 117.219 -0.569 6.449 1.00 0.00 H new ATOM 628 N ASP A 36 114.396 -7.131 6.453 1.00 0.00 N ATOM 629 CA ASP A 36 115.012 -7.889 5.372 1.00 0.00 C ATOM 630 C ASP A 36 113.960 -8.335 4.361 1.00 0.00 C ATOM 631 O ASP A 36 114.278 -8.642 3.213 1.00 0.00 O ATOM 632 CB ASP A 36 115.731 -9.115 5.936 1.00 0.00 C ATOM 633 CG ASP A 36 116.944 -8.679 6.751 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.408 -7.570 6.539 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.393 -9.460 7.574 1.00 0.00 O ATOM 0 H ASP A 36 114.275 -7.651 7.322 1.00 0.00 H new ATOM 0 HA ASP A 36 115.733 -7.245 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.049 -9.690 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.045 -9.769 5.122 1.00 0.00 H new ATOM 640 N PHE A 37 112.705 -8.367 4.797 1.00 0.00 N ATOM 641 CA PHE A 37 111.616 -8.801 3.930 1.00 0.00 C ATOM 642 C PHE A 37 111.489 -7.875 2.725 1.00 0.00 C ATOM 643 O PHE A 37 111.410 -8.331 1.584 1.00 0.00 O ATOM 644 CB PHE A 37 110.300 -8.812 4.708 1.00 0.00 C ATOM 645 CG PHE A 37 109.198 -9.353 3.830 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.329 -8.473 3.173 1.00 0.00 C ATOM 647 CD2 PHE A 37 109.045 -10.736 3.671 1.00 0.00 C ATOM 648 CE1 PHE A 37 107.309 -8.975 2.358 1.00 0.00 C ATOM 649 CE2 PHE A 37 108.023 -11.238 2.856 1.00 0.00 C ATOM 650 CZ PHE A 37 107.155 -10.358 2.199 1.00 0.00 C ATOM 0 H PHE A 37 112.418 -8.100 5.739 1.00 0.00 H new ATOM 0 HA PHE A 37 111.837 -9.809 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.400 -9.426 5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.053 -7.803 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.446 -7.406 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 37 109.715 -11.415 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 37 106.640 -8.296 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 37 107.904 -12.305 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.367 -10.745 1.570 1.00 0.00 H new ATOM 660 N VAL A 38 111.470 -6.571 2.986 1.00 0.00 N ATOM 661 CA VAL A 38 111.347 -5.589 1.915 1.00 0.00 C ATOM 662 C VAL A 38 112.694 -5.367 1.235 1.00 0.00 C ATOM 663 O VAL A 38 112.757 -5.106 0.033 1.00 0.00 O ATOM 664 CB VAL A 38 110.833 -4.264 2.479 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.321 -4.353 2.699 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.524 -3.977 3.814 1.00 0.00 C ATOM 0 H VAL A 38 111.538 -6.173 3.923 1.00 0.00 H new ATOM 0 HA VAL A 38 110.639 -5.969 1.178 1.00 0.00 H new ATOM 0 HB VAL A 38 111.051 -3.461 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.956 -3.408 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.827 -4.559 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.102 -5.156 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.159 -3.033 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.305 -4.781 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.601 -3.913 3.660 1.00 0.00 H new ATOM 676 N LYS A 39 113.768 -5.470 2.011 1.00 0.00 N ATOM 677 CA LYS A 39 115.109 -5.275 1.473 1.00 0.00 C ATOM 678 C LYS A 39 115.366 -6.237 0.316 1.00 0.00 C ATOM 679 O LYS A 39 116.076 -5.906 -0.633 1.00 0.00 O ATOM 680 CB LYS A 39 116.151 -5.503 2.570 1.00 0.00 C ATOM 681 CG LYS A 39 117.490 -4.905 2.135 1.00 0.00 C ATOM 682 CD LYS A 39 118.523 -5.104 3.246 1.00 0.00 C ATOM 683 CE LYS A 39 119.861 -4.503 2.812 1.00 0.00 C ATOM 684 NZ LYS A 39 120.886 -4.764 3.862 1.00 0.00 N ATOM 0 H LYS A 39 113.737 -5.686 3.007 1.00 0.00 H new ATOM 0 HA LYS A 39 115.188 -4.252 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.821 -5.043 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.263 -6.570 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.832 -5.382 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.373 -3.843 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.180 -4.629 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.642 -6.166 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.177 -4.938 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.755 -3.430 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.796 -4.356 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.585 -4.329 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.994 -5.790 3.995 1.00 0.00 H new ATOM 698 N ASP A 40 114.784 -7.428 0.403 1.00 0.00 N ATOM 699 CA ASP A 40 114.973 -8.437 -0.632 1.00 0.00 C ATOM 700 C ASP A 40 114.901 -7.804 -2.018 1.00 0.00 C ATOM 701 O ASP A 40 115.876 -7.820 -2.769 1.00 0.00 O ATOM 702 CB ASP A 40 113.900 -9.521 -0.509 1.00 0.00 C ATOM 703 CG ASP A 40 114.092 -10.299 0.788 1.00 0.00 C ATOM 704 OD1 ASP A 40 115.232 -10.483 1.183 1.00 0.00 O ATOM 705 OD2 ASP A 40 113.097 -10.699 1.369 1.00 0.00 O ATOM 0 H ASP A 40 114.182 -7.717 1.174 1.00 0.00 H new ATOM 0 HA ASP A 40 115.958 -8.884 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 40 112.909 -9.067 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.956 -10.199 -1.361 1.00 0.00 H new ATOM 710 N THR A 41 113.741 -7.246 -2.348 1.00 0.00 N ATOM 711 CA THR A 41 113.548 -6.626 -3.654 1.00 0.00 C ATOM 712 C THR A 41 113.286 -5.130 -3.503 1.00 0.00 C ATOM 713 O THR A 41 113.099 -4.420 -4.490 1.00 0.00 O ATOM 714 CB THR A 41 112.370 -7.282 -4.376 1.00 0.00 C ATOM 715 OG1 THR A 41 111.255 -7.346 -3.496 1.00 0.00 O ATOM 716 CG2 THR A 41 112.760 -8.695 -4.812 1.00 0.00 C ATOM 0 H THR A 41 112.927 -7.210 -1.735 1.00 0.00 H new ATOM 0 HA THR A 41 114.456 -6.768 -4.240 1.00 0.00 H new ATOM 0 HB THR A 41 112.107 -6.693 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.498 -7.764 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.920 -9.162 -5.326 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.616 -8.645 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.023 -9.287 -3.935 1.00 0.00 H new ATOM 724 N CYS A 42 113.271 -4.659 -2.260 1.00 0.00 N ATOM 725 CA CYS A 42 113.030 -3.247 -1.991 1.00 0.00 C ATOM 726 C CYS A 42 111.941 -2.705 -2.914 1.00 0.00 C ATOM 727 O CYS A 42 112.184 -1.802 -3.715 1.00 0.00 O ATOM 728 CB CYS A 42 114.318 -2.448 -2.196 1.00 0.00 C ATOM 729 SG CYS A 42 115.683 -3.276 -1.342 1.00 0.00 S ATOM 0 H CYS A 42 113.422 -5.230 -1.429 1.00 0.00 H new ATOM 0 HA CYS A 42 112.700 -3.145 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.539 -2.361 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.196 -1.435 -1.812 1.00 0.00 H new ATOM 0 HG CYS A 42 115.580 -4.562 -1.504 1.00 0.00 H new ATOM 735 N PRO A 43 110.756 -3.241 -2.810 1.00 0.00 N ATOM 736 CA PRO A 43 109.603 -2.819 -3.655 1.00 0.00 C ATOM 737 C PRO A 43 109.087 -1.433 -3.275 1.00 0.00 C ATOM 738 O PRO A 43 108.388 -0.786 -4.054 1.00 0.00 O ATOM 739 CB PRO A 43 108.544 -3.890 -3.384 1.00 0.00 C ATOM 740 CG PRO A 43 109.242 -4.951 -2.599 1.00 0.00 C ATOM 741 CD PRO A 43 110.389 -4.311 -1.870 1.00 0.00 C ATOM 0 HA PRO A 43 109.875 -2.739 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.703 -3.478 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 43 108.143 -4.290 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.555 -5.417 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.603 -5.739 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.093 -3.921 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.209 -5.008 -1.698 1.00 0.00 H new ATOM 749 N TRP A 44 109.436 -0.987 -2.073 1.00 0.00 N ATOM 750 CA TRP A 44 108.982 0.312 -1.590 1.00 0.00 C ATOM 751 C TRP A 44 109.635 1.437 -2.385 1.00 0.00 C ATOM 752 O TRP A 44 109.825 2.542 -1.875 1.00 0.00 O ATOM 753 CB TRP A 44 109.326 0.466 -0.107 1.00 0.00 C ATOM 754 CG TRP A 44 108.065 0.593 0.687 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.383 1.743 0.883 1.00 0.00 C ATOM 756 CD2 TRP A 44 107.326 -0.447 1.391 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.272 1.476 1.664 1.00 0.00 N ATOM 758 CE2 TRP A 44 106.193 0.141 2.001 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.526 -1.830 1.557 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.291 -0.616 2.751 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.621 -2.594 2.311 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.505 -1.988 2.906 1.00 0.00 C ATOM 0 H TRP A 44 110.027 -1.501 -1.420 1.00 0.00 H new ATOM 0 HA TRP A 44 107.901 0.370 -1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.899 -0.396 0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.953 1.345 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.660 2.712 0.494 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.594 2.181 1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.381 -2.307 1.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.434 -0.144 3.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.785 -3.654 2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.812 -2.581 3.484 1.00 0.00 H new ATOM 773 N PHE A 45 109.975 1.150 -3.637 1.00 0.00 N ATOM 774 CA PHE A 45 110.594 2.151 -4.499 1.00 0.00 C ATOM 775 C PHE A 45 111.831 2.743 -3.831 1.00 0.00 C ATOM 776 O PHE A 45 111.741 3.717 -3.083 1.00 0.00 O ATOM 777 CB PHE A 45 109.594 3.268 -4.805 1.00 0.00 C ATOM 778 CG PHE A 45 109.243 3.241 -6.274 1.00 0.00 C ATOM 779 CD1 PHE A 45 107.956 2.870 -6.679 1.00 0.00 C ATOM 780 CD2 PHE A 45 110.205 3.588 -7.230 1.00 0.00 C ATOM 781 CE1 PHE A 45 107.630 2.845 -8.040 1.00 0.00 C ATOM 782 CE2 PHE A 45 109.879 3.563 -8.591 1.00 0.00 C ATOM 783 CZ PHE A 45 108.592 3.192 -8.996 1.00 0.00 C ATOM 0 H PHE A 45 109.834 0.240 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 45 110.893 1.667 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.694 3.140 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 45 110.021 4.235 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 45 107.214 2.603 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 45 111.198 3.875 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 45 106.637 2.558 -8.352 1.00 0.00 H new ATOM 0 HE2 PHE A 45 110.621 3.830 -9.329 1.00 0.00 H new ATOM 0 HZ PHE A 45 108.341 3.173 -10.046 1.00 0.00 H new ATOM 793 N PRO A 46 112.975 2.169 -4.088 1.00 0.00 N ATOM 794 CA PRO A 46 114.266 2.649 -3.518 1.00 0.00 C ATOM 795 C PRO A 46 114.515 4.124 -3.820 1.00 0.00 C ATOM 796 O PRO A 46 115.065 4.854 -2.995 1.00 0.00 O ATOM 797 CB PRO A 46 115.314 1.767 -4.198 1.00 0.00 C ATOM 798 CG PRO A 46 114.579 0.546 -4.643 1.00 0.00 C ATOM 799 CD PRO A 46 113.159 0.996 -4.956 1.00 0.00 C ATOM 0 HA PRO A 46 114.285 2.577 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.770 2.281 -5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 46 116.119 1.511 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.051 0.106 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.583 -0.216 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.042 1.253 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.432 0.215 -4.735 1.00 0.00 H new ATOM 807 N GLN A 47 114.107 4.557 -5.009 1.00 0.00 N ATOM 808 CA GLN A 47 114.324 5.937 -5.425 1.00 0.00 C ATOM 809 C GLN A 47 113.200 6.833 -4.915 1.00 0.00 C ATOM 810 O GLN A 47 113.446 7.935 -4.424 1.00 0.00 O ATOM 811 CB GLN A 47 114.392 6.019 -6.951 1.00 0.00 C ATOM 812 CG GLN A 47 115.560 5.170 -7.457 1.00 0.00 C ATOM 813 CD GLN A 47 115.595 5.186 -8.981 1.00 0.00 C ATOM 814 OE1 GLN A 47 115.539 6.253 -9.593 1.00 0.00 O ATOM 815 NE2 GLN A 47 115.685 4.060 -9.635 1.00 0.00 N ATOM 0 H GLN A 47 113.628 3.976 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 47 115.268 6.280 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 47 113.457 5.667 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 47 114.519 7.055 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 47 116.499 5.555 -7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 47 115.458 4.146 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 47 115.731 3.177 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 47 115.709 4.063 -10.655 1.00 0.00 H new ATOM 824 N GLU A 48 111.966 6.354 -5.036 1.00 0.00 N ATOM 825 CA GLU A 48 110.809 7.134 -4.612 1.00 0.00 C ATOM 826 C GLU A 48 110.545 6.936 -3.122 1.00 0.00 C ATOM 827 O GLU A 48 109.840 7.726 -2.497 1.00 0.00 O ATOM 828 CB GLU A 48 109.574 6.712 -5.411 1.00 0.00 C ATOM 829 CG GLU A 48 109.052 7.907 -6.211 1.00 0.00 C ATOM 830 CD GLU A 48 110.079 8.325 -7.257 1.00 0.00 C ATOM 831 OE1 GLU A 48 110.941 7.519 -7.567 1.00 0.00 O ATOM 832 OE2 GLU A 48 109.989 9.444 -7.734 1.00 0.00 O ATOM 0 H GLU A 48 111.742 5.436 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 48 111.018 8.188 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 48 109.826 5.892 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 108.800 6.345 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 108.112 7.647 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 108.844 8.741 -5.540 1.00 0.00 H new ATOM 839 N GLY A 49 111.116 5.875 -2.562 1.00 0.00 N ATOM 840 CA GLY A 49 110.912 5.566 -1.151 1.00 0.00 C ATOM 841 C GLY A 49 109.446 5.735 -0.764 1.00 0.00 C ATOM 842 O GLY A 49 109.124 5.944 0.405 1.00 0.00 O ATOM 0 H GLY A 49 111.719 5.219 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 49 111.230 4.543 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.532 6.220 -0.538 1.00 0.00 H new ATOM 846 N THR A 50 108.564 5.643 -1.753 1.00 0.00 N ATOM 847 CA THR A 50 107.135 5.802 -1.507 1.00 0.00 C ATOM 848 C THR A 50 106.457 4.441 -1.387 1.00 0.00 C ATOM 849 O THR A 50 107.072 3.406 -1.644 1.00 0.00 O ATOM 850 CB THR A 50 106.493 6.596 -2.647 1.00 0.00 C ATOM 851 OG1 THR A 50 105.198 7.024 -2.253 1.00 0.00 O ATOM 852 CG2 THR A 50 106.385 5.710 -3.890 1.00 0.00 C ATOM 0 H THR A 50 108.810 5.461 -2.726 1.00 0.00 H new ATOM 0 HA THR A 50 107.005 6.344 -0.570 1.00 0.00 H new ATOM 0 HB THR A 50 107.108 7.466 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.786 7.534 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 50 105.928 6.276 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.380 5.383 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.770 4.839 -3.664 1.00 0.00 H new ATOM 860 N ILE A 51 105.188 4.451 -0.995 1.00 0.00 N ATOM 861 CA ILE A 51 104.428 3.213 -0.868 1.00 0.00 C ATOM 862 C ILE A 51 103.727 2.878 -2.181 1.00 0.00 C ATOM 863 O ILE A 51 103.231 3.765 -2.876 1.00 0.00 O ATOM 864 CB ILE A 51 103.390 3.347 0.246 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.948 4.242 1.356 1.00 0.00 C ATOM 866 CG2 ILE A 51 103.071 1.966 0.818 1.00 0.00 C ATOM 867 CD1 ILE A 51 103.018 4.190 2.570 1.00 0.00 C ATOM 0 H ILE A 51 104.667 5.296 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 51 105.121 2.408 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 51 102.480 3.790 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.948 3.911 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 51 104.040 5.268 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.331 2.063 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.674 1.328 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.980 1.521 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.415 4.827 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 51 102.027 4.542 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.949 3.164 2.932 1.00 0.00 H new ATOM 879 N ASP A 52 103.691 1.592 -2.516 1.00 0.00 N ATOM 880 CA ASP A 52 103.056 1.153 -3.753 1.00 0.00 C ATOM 881 C ASP A 52 102.183 -0.073 -3.502 1.00 0.00 C ATOM 882 O ASP A 52 102.670 -1.111 -3.055 1.00 0.00 O ATOM 883 CB ASP A 52 104.123 0.817 -4.796 1.00 0.00 C ATOM 884 CG ASP A 52 103.460 0.453 -6.121 1.00 0.00 C ATOM 885 OD1 ASP A 52 102.272 0.175 -6.110 1.00 0.00 O ATOM 886 OD2 ASP A 52 104.151 0.456 -7.127 1.00 0.00 O ATOM 0 H ASP A 52 104.091 0.841 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 52 102.427 1.962 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.789 1.669 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.736 -0.013 -4.446 1.00 0.00 H new ATOM 891 N ILE A 53 100.893 0.056 -3.792 1.00 0.00 N ATOM 892 CA ILE A 53 99.960 -1.045 -3.585 1.00 0.00 C ATOM 893 C ILE A 53 100.175 -2.134 -4.632 1.00 0.00 C ATOM 894 O ILE A 53 100.142 -3.324 -4.320 1.00 0.00 O ATOM 895 CB ILE A 53 98.521 -0.533 -3.668 1.00 0.00 C ATOM 896 CG1 ILE A 53 98.365 0.692 -2.763 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.560 -1.630 -3.207 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.868 0.358 -1.358 1.00 0.00 C ATOM 0 H ILE A 53 100.472 0.905 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 53 100.139 -1.467 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 53 98.292 -0.259 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.927 1.532 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 53 97.319 0.997 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.535 -1.264 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.671 -2.504 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.788 -1.904 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.757 1.231 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 53 98.287 -0.470 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.919 0.074 -1.406 1.00 0.00 H new ATOM 910 N LYS A 54 100.397 -1.717 -5.875 1.00 0.00 N ATOM 911 CA LYS A 54 100.564 -2.665 -6.969 1.00 0.00 C ATOM 912 C LYS A 54 101.795 -3.537 -6.740 1.00 0.00 C ATOM 913 O LYS A 54 101.708 -4.765 -6.746 1.00 0.00 O ATOM 914 CB LYS A 54 100.708 -1.914 -8.294 1.00 0.00 C ATOM 915 CG LYS A 54 100.728 -2.916 -9.450 1.00 0.00 C ATOM 916 CD LYS A 54 100.763 -2.161 -10.780 1.00 0.00 C ATOM 917 CE LYS A 54 100.833 -3.163 -11.934 1.00 0.00 C ATOM 918 NZ LYS A 54 100.864 -2.426 -13.230 1.00 0.00 N ATOM 0 H LYS A 54 100.465 -0.736 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 54 99.682 -3.304 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 54 99.881 -1.215 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 54 101.626 -1.326 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 54 101.598 -3.567 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.847 -3.556 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.875 -1.537 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 54 101.625 -1.495 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 54 101.722 -3.786 -11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 99.972 -3.830 -11.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 100.912 -3.106 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 100.003 -1.850 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 101.699 -1.807 -13.257 1.00 0.00 H new ATOM 932 N ARG A 55 102.939 -2.894 -6.538 1.00 0.00 N ATOM 933 CA ARG A 55 104.185 -3.620 -6.322 1.00 0.00 C ATOM 934 C ARG A 55 104.133 -4.392 -5.007 1.00 0.00 C ATOM 935 O ARG A 55 104.694 -5.482 -4.894 1.00 0.00 O ATOM 936 CB ARG A 55 105.362 -2.643 -6.296 1.00 0.00 C ATOM 937 CG ARG A 55 105.616 -2.112 -7.708 1.00 0.00 C ATOM 938 CD ARG A 55 106.775 -1.113 -7.678 1.00 0.00 C ATOM 939 NE ARG A 55 108.017 -1.794 -7.334 1.00 0.00 N ATOM 940 CZ ARG A 55 109.169 -1.132 -7.276 1.00 0.00 C ATOM 941 NH1 ARG A 55 110.269 -1.762 -6.967 1.00 0.00 N ATOM 942 NH2 ARG A 55 109.200 0.147 -7.529 1.00 0.00 N ATOM 0 H ARG A 55 103.030 -1.878 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 55 104.319 -4.327 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 55 105.147 -1.817 -5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 55 106.254 -3.142 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.850 -2.937 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 55 104.717 -1.631 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.874 -0.630 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 55 106.569 -0.327 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 55 108.002 -2.794 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 55 110.246 -2.762 -6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 55 111.152 -1.254 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 55 108.341 0.640 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 55 110.084 0.654 -7.484 1.00 0.00 H new ATOM 956 N TRP A 56 103.457 -3.819 -4.016 1.00 0.00 N ATOM 957 CA TRP A 56 103.345 -4.459 -2.711 1.00 0.00 C ATOM 958 C TRP A 56 102.694 -5.833 -2.842 1.00 0.00 C ATOM 959 O TRP A 56 103.065 -6.775 -2.143 1.00 0.00 O ATOM 960 CB TRP A 56 102.512 -3.587 -1.771 1.00 0.00 C ATOM 961 CG TRP A 56 102.177 -4.361 -0.537 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.924 -4.625 -0.102 1.00 0.00 C ATOM 963 CD2 TRP A 56 103.083 -4.975 0.426 1.00 0.00 C ATOM 964 NE1 TRP A 56 101.003 -5.362 1.066 1.00 0.00 N ATOM 965 CE2 TRP A 56 102.312 -5.603 1.432 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.484 -5.046 0.523 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.910 -6.278 2.497 1.00 0.00 C ATOM 968 CZ3 TRP A 56 105.090 -5.725 1.594 1.00 0.00 C ATOM 969 CH2 TRP A 56 104.303 -6.339 2.578 1.00 0.00 C ATOM 0 H TRP A 56 102.982 -2.919 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 56 104.347 -4.581 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 56 103.066 -2.686 -1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.598 -3.266 -2.271 1.00 0.00 H new ATOM 0 HD1 TRP A 56 100.011 -4.312 -0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 56 100.193 -5.688 1.593 1.00 0.00 H new ATOM 0 HE3 TRP A 56 105.098 -4.576 -0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 102.300 -6.750 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 106.167 -5.774 1.659 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.774 -6.859 3.399 1.00 0.00 H new ATOM 980 N ARG A 57 101.723 -5.939 -3.744 1.00 0.00 N ATOM 981 CA ARG A 57 101.043 -7.207 -3.974 1.00 0.00 C ATOM 982 C ARG A 57 101.994 -8.217 -4.608 1.00 0.00 C ATOM 983 O ARG A 57 101.963 -9.404 -4.281 1.00 0.00 O ATOM 984 CB ARG A 57 99.837 -6.994 -4.891 1.00 0.00 C ATOM 985 CG ARG A 57 98.751 -6.223 -4.137 1.00 0.00 C ATOM 986 CD ARG A 57 97.615 -5.872 -5.097 1.00 0.00 C ATOM 987 NE ARG A 57 97.019 -7.087 -5.641 1.00 0.00 N ATOM 988 CZ ARG A 57 96.087 -7.755 -4.969 1.00 0.00 C ATOM 989 NH1 ARG A 57 95.568 -8.840 -5.476 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.689 -7.326 -3.801 1.00 0.00 N ATOM 0 H ARG A 57 101.392 -5.168 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 57 100.705 -7.596 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 57 100.137 -6.442 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.448 -7.955 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 57 98.371 -6.824 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 57 99.169 -5.314 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.856 -5.288 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.994 -5.250 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 57 97.323 -7.430 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.878 -9.175 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 57 94.853 -9.352 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.094 -6.478 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 57 94.974 -7.839 -3.286 1.00 0.00 H new ATOM 1004 N ARG A 58 102.838 -7.740 -5.516 1.00 0.00 N ATOM 1005 CA ARG A 58 103.786 -8.614 -6.198 1.00 0.00 C ATOM 1006 C ARG A 58 104.712 -9.289 -5.193 1.00 0.00 C ATOM 1007 O ARG A 58 104.861 -10.512 -5.195 1.00 0.00 O ATOM 1008 CB ARG A 58 104.617 -7.805 -7.196 1.00 0.00 C ATOM 1009 CG ARG A 58 103.752 -7.441 -8.405 1.00 0.00 C ATOM 1010 CD ARG A 58 104.583 -6.633 -9.403 1.00 0.00 C ATOM 1011 NE ARG A 58 105.711 -7.426 -9.879 1.00 0.00 N ATOM 1012 CZ ARG A 58 105.581 -8.260 -10.906 1.00 0.00 C ATOM 1013 NH1 ARG A 58 106.605 -8.958 -11.313 1.00 0.00 N ATOM 1014 NH2 ARG A 58 104.428 -8.381 -11.505 1.00 0.00 N ATOM 0 H ARG A 58 102.886 -6.760 -5.796 1.00 0.00 H new ATOM 0 HA ARG A 58 103.225 -9.382 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.996 -6.900 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.484 -8.383 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.373 -8.346 -8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.886 -6.862 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 58 103.960 -6.331 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 58 104.945 -5.720 -8.931 1.00 0.00 H new ATOM 0 HE ARG A 58 106.616 -7.339 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 58 107.505 -8.864 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 58 106.505 -9.598 -12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.627 -7.836 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 58 104.327 -9.021 -12.293 1.00 0.00 H new ATOM 1028 N VAL A 59 105.331 -8.487 -4.334 1.00 0.00 N ATOM 1029 CA VAL A 59 106.243 -9.019 -3.327 1.00 0.00 C ATOM 1030 C VAL A 59 105.497 -9.926 -2.355 1.00 0.00 C ATOM 1031 O VAL A 59 106.018 -10.954 -1.925 1.00 0.00 O ATOM 1032 CB VAL A 59 106.898 -7.871 -2.557 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.818 -6.918 -2.043 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.682 -8.437 -1.372 1.00 0.00 C ATOM 0 H VAL A 59 105.220 -7.473 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 59 107.013 -9.602 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 59 107.575 -7.330 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.285 -6.100 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.257 -6.515 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.141 -7.458 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 108.150 -7.620 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 59 107.004 -8.978 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.452 -9.117 -1.737 1.00 0.00 H new ATOM 1044 N GLY A 60 104.272 -9.538 -2.012 1.00 0.00 N ATOM 1045 CA GLY A 60 103.467 -10.319 -1.080 1.00 0.00 C ATOM 1046 C GLY A 60 103.139 -11.690 -1.660 1.00 0.00 C ATOM 1047 O GLY A 60 103.336 -12.714 -1.006 1.00 0.00 O ATOM 0 H GLY A 60 103.818 -8.694 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 60 104.005 -10.437 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.544 -9.785 -0.855 1.00 0.00 H new ATOM 1051 N ASP A 61 102.637 -11.702 -2.891 1.00 0.00 N ATOM 1052 CA ASP A 61 102.281 -12.954 -3.548 1.00 0.00 C ATOM 1053 C ASP A 61 103.535 -13.754 -3.889 1.00 0.00 C ATOM 1054 O ASP A 61 103.544 -14.982 -3.792 1.00 0.00 O ATOM 1055 CB ASP A 61 101.494 -12.666 -4.827 1.00 0.00 C ATOM 1056 CG ASP A 61 100.017 -12.472 -4.498 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.265 -12.157 -5.405 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.661 -12.640 -3.343 1.00 0.00 O ATOM 0 H ASP A 61 102.469 -10.865 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 61 101.664 -13.539 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.887 -11.773 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.613 -13.490 -5.531 1.00 0.00 H new ATOM 1063 N CYS A 62 104.589 -13.051 -4.288 1.00 0.00 N ATOM 1064 CA CYS A 62 105.841 -13.707 -4.647 1.00 0.00 C ATOM 1065 C CYS A 62 106.420 -14.450 -3.446 1.00 0.00 C ATOM 1066 O CYS A 62 106.942 -15.556 -3.581 1.00 0.00 O ATOM 1067 CB CYS A 62 106.851 -12.671 -5.143 1.00 0.00 C ATOM 1068 SG CYS A 62 106.355 -12.082 -6.781 1.00 0.00 S ATOM 0 H CYS A 62 104.602 -12.034 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 62 105.638 -14.425 -5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.904 -11.836 -4.445 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.847 -13.111 -5.189 1.00 0.00 H new ATOM 0 HG CYS A 62 105.474 -11.134 -6.653 1.00 0.00 H new ATOM 1074 N PHE A 63 106.321 -13.834 -2.273 1.00 0.00 N ATOM 1075 CA PHE A 63 106.851 -14.439 -1.057 1.00 0.00 C ATOM 1076 C PHE A 63 105.854 -15.435 -0.476 1.00 0.00 C ATOM 1077 O PHE A 63 106.234 -16.511 -0.012 1.00 0.00 O ATOM 1078 CB PHE A 63 107.154 -13.354 -0.021 1.00 0.00 C ATOM 1079 CG PHE A 63 108.581 -12.888 -0.183 1.00 0.00 C ATOM 1080 CD1 PHE A 63 108.940 -12.099 -1.282 1.00 0.00 C ATOM 1081 CD2 PHE A 63 109.545 -13.244 0.769 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.263 -11.668 -1.431 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.869 -12.813 0.619 1.00 0.00 C ATOM 1084 CZ PHE A 63 111.228 -12.024 -0.481 1.00 0.00 C ATOM 0 H PHE A 63 105.882 -12.923 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 63 107.771 -14.967 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.470 -12.515 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.999 -13.744 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.196 -11.823 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 63 109.267 -13.851 1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 63 110.540 -11.060 -2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 63 111.613 -13.089 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.249 -11.690 -0.596 1.00 0.00 H new ATOM 1094 N GLN A 64 104.576 -15.070 -0.502 1.00 0.00 N ATOM 1095 CA GLN A 64 103.531 -15.942 0.019 1.00 0.00 C ATOM 1096 C GLN A 64 103.454 -17.232 -0.792 1.00 0.00 C ATOM 1097 O GLN A 64 103.278 -18.317 -0.239 1.00 0.00 O ATOM 1098 CB GLN A 64 102.180 -15.226 -0.029 1.00 0.00 C ATOM 1099 CG GLN A 64 101.104 -16.122 0.590 1.00 0.00 C ATOM 1100 CD GLN A 64 99.792 -15.354 0.709 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.798 -14.129 0.834 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.661 -16.004 0.678 1.00 0.00 N ATOM 0 H GLN A 64 104.241 -14.182 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 64 103.774 -16.190 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 64 102.238 -14.282 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.920 -14.987 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.961 -17.010 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.425 -16.464 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.659 -17.019 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.779 -15.497 0.757 1.00 0.00 H new ATOM 1111 N ASP A 65 103.588 -17.104 -2.109 1.00 0.00 N ATOM 1112 CA ASP A 65 103.539 -18.268 -2.987 1.00 0.00 C ATOM 1113 C ASP A 65 104.725 -19.189 -2.724 1.00 0.00 C ATOM 1114 O ASP A 65 104.558 -20.391 -2.524 1.00 0.00 O ATOM 1115 CB ASP A 65 103.554 -17.819 -4.450 1.00 0.00 C ATOM 1116 CG ASP A 65 103.647 -19.033 -5.367 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.822 -18.839 -6.559 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.542 -20.140 -4.865 1.00 0.00 O ATOM 0 H ASP A 65 103.730 -16.215 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 65 102.618 -18.814 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.651 -17.252 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.400 -17.154 -4.626 1.00 0.00 H new ATOM 1123 N TYR A 66 105.925 -18.616 -2.726 1.00 0.00 N ATOM 1124 CA TYR A 66 107.134 -19.395 -2.486 1.00 0.00 C ATOM 1125 C TYR A 66 107.126 -19.978 -1.077 1.00 0.00 C ATOM 1126 O TYR A 66 107.502 -21.131 -0.869 1.00 0.00 O ATOM 1127 CB TYR A 66 108.369 -18.512 -2.668 1.00 0.00 C ATOM 1128 CG TYR A 66 109.609 -19.304 -2.331 1.00 0.00 C ATOM 1129 CD1 TYR A 66 109.973 -20.404 -3.115 1.00 0.00 C ATOM 1130 CD2 TYR A 66 110.395 -18.939 -1.231 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.123 -21.140 -2.803 1.00 0.00 C ATOM 1132 CE2 TYR A 66 111.545 -19.673 -0.917 1.00 0.00 C ATOM 1133 CZ TYR A 66 111.909 -20.774 -1.703 1.00 0.00 C ATOM 1134 OH TYR A 66 113.042 -21.498 -1.394 1.00 0.00 O ATOM 0 H TYR A 66 106.085 -17.622 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 66 107.164 -20.214 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.423 -18.151 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.299 -17.634 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.366 -20.686 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 66 110.114 -18.091 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 66 111.403 -21.988 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 66 112.151 -19.391 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 66 113.472 -21.111 -0.603 1.00 0.00 H new ATOM 1144 N TYR A 67 106.693 -19.173 -0.112 1.00 0.00 N ATOM 1145 CA TYR A 67 106.639 -19.620 1.276 1.00 0.00 C ATOM 1146 C TYR A 67 105.627 -20.749 1.436 1.00 0.00 C ATOM 1147 O TYR A 67 105.856 -21.700 2.182 1.00 0.00 O ATOM 1148 CB TYR A 67 106.254 -18.452 2.185 1.00 0.00 C ATOM 1149 CG TYR A 67 106.184 -18.931 3.616 1.00 0.00 C ATOM 1150 CD1 TYR A 67 104.978 -18.850 4.323 1.00 0.00 C ATOM 1151 CD2 TYR A 67 107.325 -19.454 4.235 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.914 -19.293 5.649 1.00 0.00 C ATOM 1153 CE2 TYR A 67 107.261 -19.898 5.562 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.055 -19.817 6.269 1.00 0.00 C ATOM 1155 OH TYR A 67 105.990 -20.254 7.576 1.00 0.00 O ATOM 0 H TYR A 67 106.377 -18.215 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 67 107.625 -19.990 1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.986 -17.650 2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.291 -18.041 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 67 104.098 -18.446 3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 67 108.255 -19.515 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.984 -19.231 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 67 108.141 -20.303 6.040 1.00 0.00 H new ATOM 0 HH TYR A 67 106.868 -20.589 7.853 1.00 0.00 H new ATOM 1165 N ASN A 68 104.506 -20.636 0.731 1.00 0.00 N ATOM 1166 CA ASN A 68 103.448 -21.635 0.831 1.00 0.00 C ATOM 1167 C ASN A 68 103.960 -23.003 0.392 1.00 0.00 C ATOM 1168 O ASN A 68 103.651 -24.020 1.012 1.00 0.00 O ATOM 1169 CB ASN A 68 102.260 -21.228 -0.043 1.00 0.00 C ATOM 1170 CG ASN A 68 101.465 -20.121 0.641 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.579 -19.931 1.852 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.661 -19.375 -0.067 1.00 0.00 N ATOM 0 H ASN A 68 104.307 -19.869 0.089 1.00 0.00 H new ATOM 0 HA ASN A 68 103.129 -21.696 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.614 -20.885 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.618 -22.090 -0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.125 -18.633 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.568 -19.534 -1.070 1.00 0.00 H new ATOM 1179 N THR A 69 104.745 -23.019 -0.681 1.00 0.00 N ATOM 1180 CA THR A 69 105.270 -24.272 -1.212 1.00 0.00 C ATOM 1181 C THR A 69 105.839 -25.133 -0.088 1.00 0.00 C ATOM 1182 O THR A 69 105.968 -26.349 -0.231 1.00 0.00 O ATOM 1183 CB THR A 69 106.365 -23.984 -2.241 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.431 -23.285 -1.613 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.792 -23.132 -3.375 1.00 0.00 C ATOM 0 H THR A 69 105.030 -22.186 -1.196 1.00 0.00 H new ATOM 0 HA THR A 69 104.454 -24.813 -1.691 1.00 0.00 H new ATOM 0 HB THR A 69 106.737 -24.924 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.138 -22.378 -1.385 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.573 -22.928 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.975 -23.669 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.419 -22.191 -2.970 1.00 0.00 H new ATOM 1193 N PHE A 70 106.176 -24.494 1.027 1.00 0.00 N ATOM 1194 CA PHE A 70 106.730 -25.212 2.169 1.00 0.00 C ATOM 1195 C PHE A 70 105.617 -25.678 3.101 1.00 0.00 C ATOM 1196 O PHE A 70 105.867 -26.043 4.249 1.00 0.00 O ATOM 1197 CB PHE A 70 107.696 -24.307 2.936 1.00 0.00 C ATOM 1198 CG PHE A 70 108.928 -24.062 2.099 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.999 -24.963 2.149 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.001 -22.934 1.274 1.00 0.00 C ATOM 1201 CE1 PHE A 70 111.142 -24.735 1.373 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.143 -22.706 0.498 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.214 -23.606 0.547 1.00 0.00 C ATOM 0 H PHE A 70 106.076 -23.488 1.164 1.00 0.00 H new ATOM 0 HA PHE A 70 107.267 -26.085 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.212 -23.360 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 70 107.973 -24.772 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.943 -25.833 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 70 108.175 -22.239 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 70 111.968 -25.430 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.198 -21.835 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.095 -23.430 -0.052 1.00 0.00 H new ATOM 1213 N GLY A 71 104.385 -25.662 2.599 1.00 0.00 N ATOM 1214 CA GLY A 71 103.240 -26.073 3.401 1.00 0.00 C ATOM 1215 C GLY A 71 103.382 -25.595 4.842 1.00 0.00 C ATOM 1216 O GLY A 71 103.399 -26.396 5.776 1.00 0.00 O ATOM 0 H GLY A 71 104.157 -25.371 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.325 -25.669 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.149 -27.159 3.382 1.00 0.00 H new ATOM 1220 N PRO A 72 103.485 -24.307 5.031 1.00 0.00 N ATOM 1221 CA PRO A 72 103.636 -23.699 6.383 1.00 0.00 C ATOM 1222 C PRO A 72 102.309 -23.637 7.137 1.00 0.00 C ATOM 1223 O PRO A 72 101.293 -23.208 6.591 1.00 0.00 O ATOM 1224 CB PRO A 72 104.165 -22.294 6.093 1.00 0.00 C ATOM 1225 CG PRO A 72 103.675 -21.960 4.722 1.00 0.00 C ATOM 1226 CD PRO A 72 103.465 -23.290 3.969 1.00 0.00 C ATOM 0 HA PRO A 72 104.297 -24.283 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.798 -21.577 6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.254 -22.267 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.743 -21.397 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.397 -21.333 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.519 -23.297 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.253 -23.463 3.236 1.00 0.00 H new ATOM 1234 N GLU A 73 102.328 -24.065 8.395 1.00 0.00 N ATOM 1235 CA GLU A 73 101.124 -24.045 9.217 1.00 0.00 C ATOM 1236 C GLU A 73 100.997 -22.715 9.951 1.00 0.00 C ATOM 1237 O GLU A 73 99.893 -22.216 10.165 1.00 0.00 O ATOM 1238 CB GLU A 73 101.166 -25.189 10.233 1.00 0.00 C ATOM 1239 CG GLU A 73 100.960 -26.521 9.511 1.00 0.00 C ATOM 1240 CD GLU A 73 101.061 -27.673 10.505 1.00 0.00 C ATOM 1241 OE1 GLU A 73 100.962 -28.811 10.076 1.00 0.00 O ATOM 1242 OE2 GLU A 73 101.234 -27.401 11.681 1.00 0.00 O ATOM 0 H GLU A 73 103.158 -24.427 8.865 1.00 0.00 H new ATOM 0 HA GLU A 73 100.260 -24.170 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 73 102.123 -25.191 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.391 -25.048 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 99.985 -26.534 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 73 101.708 -26.639 8.727 1.00 0.00 H new ATOM 1249 N LYS A 74 102.136 -22.144 10.332 1.00 0.00 N ATOM 1250 CA LYS A 74 102.140 -20.882 11.062 1.00 0.00 C ATOM 1251 C LYS A 74 101.474 -19.785 10.238 1.00 0.00 C ATOM 1252 O LYS A 74 100.621 -19.051 10.737 1.00 0.00 O ATOM 1253 CB LYS A 74 103.577 -20.474 11.392 1.00 0.00 C ATOM 1254 CG LYS A 74 104.207 -21.522 12.312 1.00 0.00 C ATOM 1255 CD LYS A 74 105.640 -21.804 11.856 1.00 0.00 C ATOM 1256 CE LYS A 74 106.486 -20.539 12.018 1.00 0.00 C ATOM 1257 NZ LYS A 74 107.927 -20.882 11.856 1.00 0.00 N ATOM 0 H LYS A 74 103.061 -22.532 10.149 1.00 0.00 H new ATOM 0 HA LYS A 74 101.580 -21.017 11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 74 104.160 -20.382 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.587 -19.497 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.205 -21.166 13.342 1.00 0.00 H new ATOM 0 HG3 LYS A 74 103.620 -22.440 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 74 106.066 -22.617 12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 74 105.645 -22.127 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 74 106.193 -19.795 11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 74 106.314 -20.097 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 108.503 -20.023 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 108.202 -21.578 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 108.084 -21.285 10.910 1.00 0.00 H new ATOM 1271 N VAL A 75 101.868 -19.679 8.973 1.00 0.00 N ATOM 1272 CA VAL A 75 101.304 -18.667 8.089 1.00 0.00 C ATOM 1273 C VAL A 75 100.757 -17.494 8.897 1.00 0.00 C ATOM 1274 O VAL A 75 99.567 -17.441 9.207 1.00 0.00 O ATOM 1275 CB VAL A 75 100.182 -19.276 7.246 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.496 -18.175 6.437 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.771 -20.318 6.292 1.00 0.00 C ATOM 0 H VAL A 75 102.571 -20.278 8.540 1.00 0.00 H new ATOM 0 HA VAL A 75 102.095 -18.304 7.433 1.00 0.00 H new ATOM 0 HB VAL A 75 99.453 -19.753 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.697 -18.609 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.077 -17.432 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.224 -17.698 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.973 -20.753 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.500 -19.841 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.260 -21.103 6.868 1.00 0.00 H new ATOM 1287 N PRO A 76 101.604 -16.563 9.239 1.00 0.00 N ATOM 1288 CA PRO A 76 101.210 -15.360 10.025 1.00 0.00 C ATOM 1289 C PRO A 76 100.096 -14.568 9.343 1.00 0.00 C ATOM 1290 O PRO A 76 100.228 -14.159 8.190 1.00 0.00 O ATOM 1291 CB PRO A 76 102.497 -14.537 10.100 1.00 0.00 C ATOM 1292 CG PRO A 76 103.605 -15.507 9.852 1.00 0.00 C ATOM 1293 CD PRO A 76 103.038 -16.559 8.909 1.00 0.00 C ATOM 0 HA PRO A 76 100.811 -15.624 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.498 -13.741 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.603 -14.061 11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.467 -15.009 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.943 -15.960 10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.211 -16.300 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.493 -17.536 9.074 1.00 0.00 H new ATOM 1301 N VAL A 77 99.001 -14.356 10.066 1.00 0.00 N ATOM 1302 CA VAL A 77 97.866 -13.624 9.515 1.00 0.00 C ATOM 1303 C VAL A 77 98.080 -12.119 9.652 1.00 0.00 C ATOM 1304 O VAL A 77 97.491 -11.328 8.915 1.00 0.00 O ATOM 1305 CB VAL A 77 96.583 -14.026 10.243 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.409 -13.210 9.701 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.315 -15.516 10.017 1.00 0.00 C ATOM 0 H VAL A 77 98.876 -14.677 11.026 1.00 0.00 H new ATOM 0 HA VAL A 77 97.777 -13.872 8.457 1.00 0.00 H new ATOM 0 HB VAL A 77 96.696 -13.833 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.495 -13.498 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.599 -12.149 9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.295 -13.401 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.401 -15.804 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.203 -15.708 8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.151 -16.099 10.404 1.00 0.00 H new ATOM 1317 N THR A 78 98.927 -11.732 10.600 1.00 0.00 N ATOM 1318 CA THR A 78 99.222 -10.320 10.816 1.00 0.00 C ATOM 1319 C THR A 78 99.473 -9.616 9.487 1.00 0.00 C ATOM 1320 O THR A 78 99.249 -8.413 9.359 1.00 0.00 O ATOM 1321 CB THR A 78 100.453 -10.175 11.713 1.00 0.00 C ATOM 1322 OG1 THR A 78 101.612 -10.564 10.990 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.297 -11.065 12.947 1.00 0.00 C ATOM 0 H THR A 78 99.418 -12.370 11.226 1.00 0.00 H new ATOM 0 HA THR A 78 98.362 -9.859 11.302 1.00 0.00 H new ATOM 0 HB THR A 78 100.552 -9.136 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.402 -10.470 11.563 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.175 -10.960 13.585 1.00 0.00 H new ATOM 0 HG22 THR A 78 99.408 -10.765 13.502 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.197 -12.105 12.635 1.00 0.00 H new ATOM 1331 N ALA A 79 99.940 -10.375 8.500 1.00 0.00 N ATOM 1332 CA ALA A 79 100.212 -9.813 7.181 1.00 0.00 C ATOM 1333 C ALA A 79 98.956 -9.164 6.607 1.00 0.00 C ATOM 1334 O ALA A 79 99.038 -8.210 5.833 1.00 0.00 O ATOM 1335 CB ALA A 79 100.699 -10.912 6.236 1.00 0.00 C ATOM 0 H ALA A 79 100.137 -11.372 8.587 1.00 0.00 H new ATOM 0 HA ALA A 79 100.986 -9.053 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.900 -10.485 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.613 -11.355 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.932 -11.681 6.147 1.00 0.00 H new ATOM 1341 N PHE A 80 97.796 -9.689 6.989 1.00 0.00 N ATOM 1342 CA PHE A 80 96.531 -9.157 6.498 1.00 0.00 C ATOM 1343 C PHE A 80 96.338 -7.717 6.963 1.00 0.00 C ATOM 1344 O PHE A 80 95.840 -6.875 6.216 1.00 0.00 O ATOM 1345 CB PHE A 80 95.372 -10.018 7.006 1.00 0.00 C ATOM 1346 CG PHE A 80 94.078 -9.527 6.401 1.00 0.00 C ATOM 1347 CD1 PHE A 80 93.760 -9.845 5.075 1.00 0.00 C ATOM 1348 CD2 PHE A 80 93.197 -8.754 7.167 1.00 0.00 C ATOM 1349 CE1 PHE A 80 92.560 -9.389 4.516 1.00 0.00 C ATOM 1350 CE2 PHE A 80 91.997 -8.299 6.607 1.00 0.00 C ATOM 1351 CZ PHE A 80 91.679 -8.617 5.280 1.00 0.00 C ATOM 0 H PHE A 80 97.706 -10.476 7.632 1.00 0.00 H new ATOM 0 HA PHE A 80 96.549 -9.175 5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.537 -11.062 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 80 95.319 -9.970 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 80 94.439 -10.441 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 80 93.443 -8.509 8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 80 92.314 -9.634 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 80 91.317 -7.703 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 80 90.754 -8.266 4.847 1.00 0.00 H new ATOM 1361 N SER A 81 96.735 -7.441 8.201 1.00 0.00 N ATOM 1362 CA SER A 81 96.577 -6.106 8.764 1.00 0.00 C ATOM 1363 C SER A 81 97.468 -5.106 8.032 1.00 0.00 C ATOM 1364 O SER A 81 97.069 -3.968 7.787 1.00 0.00 O ATOM 1365 CB SER A 81 96.937 -6.120 10.250 1.00 0.00 C ATOM 1366 OG SER A 81 96.135 -7.084 10.918 1.00 0.00 O ATOM 0 H SER A 81 97.166 -8.119 8.829 1.00 0.00 H new ATOM 0 HA SER A 81 95.537 -5.803 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.993 -6.357 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.777 -5.133 10.684 1.00 0.00 H new ATOM 0 HG SER A 81 96.364 -7.097 11.871 1.00 0.00 H new ATOM 1372 N TYR A 82 98.675 -5.540 7.686 1.00 0.00 N ATOM 1373 CA TYR A 82 99.615 -4.675 6.984 1.00 0.00 C ATOM 1374 C TYR A 82 98.981 -4.112 5.716 1.00 0.00 C ATOM 1375 O TYR A 82 98.985 -2.902 5.492 1.00 0.00 O ATOM 1376 CB TYR A 82 100.877 -5.459 6.620 1.00 0.00 C ATOM 1377 CG TYR A 82 101.910 -5.282 7.706 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.729 -4.146 7.714 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.051 -6.253 8.706 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.688 -3.981 8.722 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.009 -6.088 9.712 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.828 -4.952 9.720 1.00 0.00 C ATOM 1383 OH TYR A 82 104.773 -4.790 10.713 1.00 0.00 O ATOM 0 H TYR A 82 99.024 -6.479 7.879 1.00 0.00 H new ATOM 0 HA TYR A 82 99.879 -3.848 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.639 -6.516 6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.273 -5.110 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.621 -3.397 6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 82 101.420 -7.129 8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 82 104.319 -3.105 8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 82 103.117 -6.837 10.483 1.00 0.00 H new ATOM 0 HH TYR A 82 104.738 -5.554 11.326 1.00 0.00 H new ATOM 1393 N TRP A 83 98.436 -4.998 4.889 1.00 0.00 N ATOM 1394 CA TRP A 83 97.831 -4.582 3.630 1.00 0.00 C ATOM 1395 C TRP A 83 96.685 -3.607 3.883 1.00 0.00 C ATOM 1396 O TRP A 83 96.537 -2.611 3.175 1.00 0.00 O ATOM 1397 CB TRP A 83 97.305 -5.804 2.874 1.00 0.00 C ATOM 1398 CG TRP A 83 98.312 -6.906 2.946 1.00 0.00 C ATOM 1399 CD1 TRP A 83 99.623 -6.742 3.238 1.00 0.00 C ATOM 1400 CD2 TRP A 83 98.116 -8.333 2.729 1.00 0.00 C ATOM 1401 NE1 TRP A 83 100.244 -7.978 3.214 1.00 0.00 N ATOM 1402 CE2 TRP A 83 99.357 -8.990 2.905 1.00 0.00 C ATOM 1403 CE3 TRP A 83 96.994 -9.114 2.399 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 99.480 -10.372 2.759 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 97.114 -10.506 2.253 1.00 0.00 C ATOM 1406 CH2 TRP A 83 98.355 -11.134 2.431 1.00 0.00 C ATOM 0 H TRP A 83 98.401 -6.002 5.066 1.00 0.00 H new ATOM 0 HA TRP A 83 98.592 -4.084 3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 83 96.359 -6.132 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 83 97.108 -5.544 1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 83 100.106 -5.800 3.454 1.00 0.00 H new ATOM 0 HE1 TRP A 83 101.236 -8.124 3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 83 96.034 -8.640 2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 100.438 -10.850 2.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 96.245 -11.096 2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 83 98.441 -12.204 2.315 1.00 0.00 H new ATOM 1417 N ASN A 84 95.878 -3.901 4.897 1.00 0.00 N ATOM 1418 CA ASN A 84 94.732 -3.058 5.218 1.00 0.00 C ATOM 1419 C ASN A 84 95.194 -1.686 5.701 1.00 0.00 C ATOM 1420 O ASN A 84 94.656 -0.659 5.287 1.00 0.00 O ATOM 1421 CB ASN A 84 93.881 -3.722 6.301 1.00 0.00 C ATOM 1422 CG ASN A 84 93.049 -4.847 5.694 1.00 0.00 C ATOM 1423 OD1 ASN A 84 93.105 -5.079 4.486 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.275 -5.563 6.463 1.00 0.00 N ATOM 0 H ASN A 84 95.995 -4.710 5.507 1.00 0.00 H new ATOM 0 HA ASN A 84 94.135 -2.931 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.523 -4.117 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.226 -2.984 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.715 -6.316 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.230 -5.369 7.463 1.00 0.00 H new ATOM 1431 N LEU A 85 96.192 -1.679 6.577 1.00 0.00 N ATOM 1432 CA LEU A 85 96.701 -0.429 7.130 1.00 0.00 C ATOM 1433 C LEU A 85 97.413 0.384 6.052 1.00 0.00 C ATOM 1434 O LEU A 85 97.095 1.551 5.829 1.00 0.00 O ATOM 1435 CB LEU A 85 97.671 -0.721 8.276 1.00 0.00 C ATOM 1436 CG LEU A 85 98.146 0.597 8.891 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.948 1.355 9.464 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.147 0.303 10.011 1.00 0.00 C ATOM 0 H LEU A 85 96.662 -2.518 6.918 1.00 0.00 H new ATOM 0 HA LEU A 85 95.858 0.149 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.182 -1.333 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.524 -1.291 7.908 1.00 0.00 H new ATOM 0 HG LEU A 85 98.625 1.205 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.287 2.294 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.234 1.563 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.468 0.749 10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.487 1.241 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.667 -0.304 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 85 100.001 -0.237 9.603 1.00 0.00 H new ATOM 1450 N ILE A 86 98.378 -0.244 5.387 1.00 0.00 N ATOM 1451 CA ILE A 86 99.129 0.431 4.334 1.00 0.00 C ATOM 1452 C ILE A 86 98.197 0.881 3.215 1.00 0.00 C ATOM 1453 O ILE A 86 98.344 1.979 2.677 1.00 0.00 O ATOM 1454 CB ILE A 86 100.193 -0.511 3.767 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.508 -0.308 4.524 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.407 -0.205 2.284 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.280 -1.629 4.568 1.00 0.00 C ATOM 0 H ILE A 86 98.657 -1.210 5.556 1.00 0.00 H new ATOM 0 HA ILE A 86 99.612 1.309 4.763 1.00 0.00 H new ATOM 0 HB ILE A 86 99.863 -1.543 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 86 102.107 0.460 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.307 0.042 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 86 101.165 -0.876 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.471 -0.348 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.738 0.827 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.217 -1.485 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.681 -2.384 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.493 -1.960 3.552 1.00 0.00 H new ATOM 1469 N LYS A 87 97.238 0.029 2.870 1.00 0.00 N ATOM 1470 CA LYS A 87 96.282 0.353 1.818 1.00 0.00 C ATOM 1471 C LYS A 87 95.686 1.738 2.045 1.00 0.00 C ATOM 1472 O LYS A 87 95.670 2.575 1.141 1.00 0.00 O ATOM 1473 CB LYS A 87 95.162 -0.688 1.790 1.00 0.00 C ATOM 1474 CG LYS A 87 93.995 -0.161 0.953 1.00 0.00 C ATOM 1475 CD LYS A 87 93.009 -1.298 0.678 1.00 0.00 C ATOM 1476 CE LYS A 87 91.847 -0.773 -0.166 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.973 -1.911 -0.571 1.00 0.00 N ATOM 0 H LYS A 87 97.102 -0.886 3.300 1.00 0.00 H new ATOM 0 HA LYS A 87 96.806 0.347 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.531 -1.624 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.827 -0.904 2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.493 0.650 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 87 94.364 0.250 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.513 -2.112 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.635 -1.705 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 87 91.271 -0.043 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 87 92.228 -0.261 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 90.183 -1.554 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 91.526 -2.592 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.600 -2.381 0.278 1.00 0.00 H new ATOM 1491 N GLU A 88 95.196 1.976 3.258 1.00 0.00 N ATOM 1492 CA GLU A 88 94.571 3.253 3.583 1.00 0.00 C ATOM 1493 C GLU A 88 95.625 4.272 4.005 1.00 0.00 C ATOM 1494 O GLU A 88 95.376 5.478 3.993 1.00 0.00 O ATOM 1495 CB GLU A 88 93.558 3.065 4.714 1.00 0.00 C ATOM 1496 CG GLU A 88 94.246 3.298 6.060 1.00 0.00 C ATOM 1497 CD GLU A 88 94.304 4.791 6.364 1.00 0.00 C ATOM 1498 OE1 GLU A 88 93.389 5.493 5.967 1.00 0.00 O ATOM 1499 OE2 GLU A 88 95.263 5.211 6.991 1.00 0.00 O ATOM 0 H GLU A 88 95.219 1.306 4.027 1.00 0.00 H new ATOM 0 HA GLU A 88 94.059 3.623 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.728 3.761 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.139 2.060 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.704 2.778 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.254 2.883 6.039 1.00 0.00 H new ATOM 1506 N LEU A 89 96.801 3.779 4.379 1.00 0.00 N ATOM 1507 CA LEU A 89 97.871 4.654 4.847 1.00 0.00 C ATOM 1508 C LEU A 89 98.200 5.709 3.797 1.00 0.00 C ATOM 1509 O LEU A 89 98.400 6.879 4.120 1.00 0.00 O ATOM 1510 CB LEU A 89 99.122 3.830 5.156 1.00 0.00 C ATOM 1511 CG LEU A 89 100.182 4.729 5.794 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.651 5.283 7.117 1.00 0.00 C ATOM 1513 CD2 LEU A 89 101.451 3.914 6.055 1.00 0.00 C ATOM 0 H LEU A 89 97.037 2.787 4.368 1.00 0.00 H new ATOM 0 HA LEU A 89 97.533 5.155 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.873 3.010 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.512 3.384 4.241 1.00 0.00 H new ATOM 0 HG LEU A 89 100.412 5.555 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.406 5.924 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 89 98.747 5.863 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.421 4.458 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 89 102.207 4.554 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 89 101.221 3.089 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.830 3.518 5.113 1.00 0.00 H new ATOM 1525 N ILE A 90 98.253 5.287 2.538 1.00 0.00 N ATOM 1526 CA ILE A 90 98.564 6.204 1.447 1.00 0.00 C ATOM 1527 C ILE A 90 97.499 7.291 1.343 1.00 0.00 C ATOM 1528 O ILE A 90 97.815 8.466 1.153 1.00 0.00 O ATOM 1529 CB ILE A 90 98.644 5.437 0.127 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.872 4.523 0.143 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.762 6.427 -1.033 1.00 0.00 C ATOM 1532 CD1 ILE A 90 100.051 3.885 -1.235 1.00 0.00 C ATOM 0 H ILE A 90 98.086 4.323 2.249 1.00 0.00 H new ATOM 0 HA ILE A 90 99.527 6.672 1.653 1.00 0.00 H new ATOM 0 HB ILE A 90 97.743 4.836 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.761 5.095 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.753 3.749 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.819 5.880 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.889 7.079 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.662 7.028 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.925 3.234 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.166 3.299 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.190 4.666 -1.982 1.00 0.00 H new ATOM 1544 N ASP A 91 96.238 6.892 1.468 1.00 0.00 N ATOM 1545 CA ASP A 91 95.133 7.839 1.374 1.00 0.00 C ATOM 1546 C ASP A 91 95.150 8.800 2.559 1.00 0.00 C ATOM 1547 O ASP A 91 94.430 9.798 2.572 1.00 0.00 O ATOM 1548 CB ASP A 91 93.802 7.088 1.342 1.00 0.00 C ATOM 1549 CG ASP A 91 93.648 6.357 0.013 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.836 5.449 -0.051 1.00 0.00 O ATOM 1551 OD2 ASP A 91 94.344 6.716 -0.922 1.00 0.00 O ATOM 0 H ASP A 91 95.957 5.926 1.634 1.00 0.00 H new ATOM 0 HA ASP A 91 95.247 8.412 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.757 6.376 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.977 7.787 1.480 1.00 0.00 H new ATOM 1556 N LYS A 92 95.975 8.489 3.554 1.00 0.00 N ATOM 1557 CA LYS A 92 96.079 9.336 4.738 1.00 0.00 C ATOM 1558 C LYS A 92 96.638 10.706 4.370 1.00 0.00 C ATOM 1559 O LYS A 92 97.657 10.810 3.685 1.00 0.00 O ATOM 1560 CB LYS A 92 96.990 8.673 5.774 1.00 0.00 C ATOM 1561 CG LYS A 92 96.621 9.172 7.172 1.00 0.00 C ATOM 1562 CD LYS A 92 97.433 8.407 8.219 1.00 0.00 C ATOM 1563 CE LYS A 92 97.025 8.868 9.619 1.00 0.00 C ATOM 1564 NZ LYS A 92 97.797 8.104 10.638 1.00 0.00 N ATOM 0 H LYS A 92 96.576 7.665 3.565 1.00 0.00 H new ATOM 0 HA LYS A 92 95.082 9.465 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.886 7.589 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 92 98.033 8.904 5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 92 96.820 10.241 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 92 95.555 9.032 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.264 7.335 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.498 8.578 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 92 97.212 9.936 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.956 8.715 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 97.520 8.417 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.597 7.089 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 98.814 8.272 10.501 1.00 0.00 H new