USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 693 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 25 LYS NZ :NH3+ -167:sc= 0.0544 (180deg=0) USER MOD Set 1.2: A 91 THR OG1 : rot -94:sc= 0.282 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl 138:sc= -0.679 (180deg=-2.81!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.034 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 42:sc= -1.34 USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00509 F(o=-0.89,f=-0.0051) USER MOD Single : A 48 HIS : no HD1:sc=-0.00405 K(o=-0.0041,f=-0.65) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.517 F(o=-1.6,f=-0.52) USER MOD Single : A 78 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.1) USER MOD Single : A 79 SER OG : rot -170:sc= -0.945 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.55 K(o=-0.55,f=-1.2) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 12 -3.908 13.208 -6.546 1.00 0.00 N ATOM 116 CA PRO A 12 -3.908 12.460 -5.285 1.00 0.00 C ATOM 117 C PRO A 12 -4.601 11.108 -5.412 1.00 0.00 C ATOM 118 O PRO A 12 -5.432 10.907 -6.298 1.00 0.00 O ATOM 119 CB PRO A 12 -4.684 13.372 -4.332 1.00 0.00 C ATOM 120 CG PRO A 12 -5.561 14.187 -5.218 1.00 0.00 C ATOM 121 CD PRO A 12 -4.790 14.385 -6.494 1.00 0.00 C ATOM 0 HA PRO A 12 -2.897 12.230 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.270 12.792 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.011 14.003 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.506 13.677 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.802 15.144 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.451 14.430 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.220 15.314 -6.479 1.00 0.00 H new ATOM 129 N ILE A 13 -4.254 10.184 -4.522 1.00 0.00 N ATOM 130 CA ILE A 13 -4.845 8.852 -4.535 1.00 0.00 C ATOM 131 C ILE A 13 -6.290 8.896 -5.021 1.00 0.00 C ATOM 132 O ILE A 13 -7.178 9.380 -4.319 1.00 0.00 O ATOM 133 CB ILE A 13 -4.805 8.205 -3.138 1.00 0.00 C ATOM 134 CG1 ILE A 13 -3.388 8.265 -2.565 1.00 0.00 C ATOM 135 CG2 ILE A 13 -5.294 6.766 -3.207 1.00 0.00 C ATOM 136 CD1 ILE A 13 -3.228 7.505 -1.266 1.00 0.00 C ATOM 0 H ILE A 13 -3.567 10.334 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.251 8.250 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.468 8.762 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.690 7.863 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.114 9.308 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.260 6.322 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.319 6.747 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.654 6.196 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.199 7.591 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.900 7.921 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.470 6.454 -1.427 1.00 0.00 H new ATOM 148 N VAL A 14 -6.519 8.385 -6.227 1.00 0.00 N ATOM 149 CA VAL A 14 -7.856 8.363 -6.807 1.00 0.00 C ATOM 150 C VAL A 14 -8.588 7.074 -6.452 1.00 0.00 C ATOM 151 O VAL A 14 -8.131 5.970 -6.749 1.00 0.00 O ATOM 152 CB VAL A 14 -7.806 8.507 -8.339 1.00 0.00 C ATOM 153 CG1 VAL A 14 -9.179 8.254 -8.945 1.00 0.00 C ATOM 154 CG2 VAL A 14 -7.288 9.883 -8.728 1.00 0.00 C ATOM 0 H VAL A 14 -5.795 7.981 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.397 9.212 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.118 7.760 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.124 8.360 -10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.506 7.245 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.892 8.976 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.259 9.967 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.949 10.649 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.284 10.021 -8.327 1.00 0.00 H new ATOM 164 N PRO A 15 -9.752 7.214 -5.800 1.00 0.00 N ATOM 165 CA PRO A 15 -10.573 6.071 -5.391 1.00 0.00 C ATOM 166 C PRO A 15 -11.211 5.361 -6.579 1.00 0.00 C ATOM 167 O PRO A 15 -11.359 5.940 -7.655 1.00 0.00 O ATOM 168 CB PRO A 15 -11.649 6.705 -4.506 1.00 0.00 C ATOM 169 CG PRO A 15 -11.743 8.115 -4.976 1.00 0.00 C ATOM 170 CD PRO A 15 -10.356 8.500 -5.413 1.00 0.00 C ATOM 0 HA PRO A 15 -9.983 5.306 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.603 6.188 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.374 6.656 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.451 8.205 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.097 8.769 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.377 9.201 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.799 8.979 -4.608 1.00 0.00 H new ATOM 178 N GLY A 16 -11.589 4.101 -6.378 1.00 0.00 N ATOM 179 CA GLY A 16 -12.208 3.333 -7.443 1.00 0.00 C ATOM 180 C GLY A 16 -11.190 2.624 -8.313 1.00 0.00 C ATOM 181 O GLY A 16 -11.416 1.496 -8.750 1.00 0.00 O ATOM 0 H GLY A 16 -11.477 3.599 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.886 2.598 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.811 3.997 -8.062 1.00 0.00 H new ATOM 185 N GLN A 17 -10.066 3.287 -8.567 1.00 0.00 N ATOM 186 CA GLN A 17 -9.011 2.713 -9.393 1.00 0.00 C ATOM 187 C GLN A 17 -7.664 2.778 -8.680 1.00 0.00 C ATOM 188 O GLN A 17 -7.386 3.727 -7.948 1.00 0.00 O ATOM 189 CB GLN A 17 -8.928 3.445 -10.734 1.00 0.00 C ATOM 190 CG GLN A 17 -8.243 4.800 -10.645 1.00 0.00 C ATOM 191 CD GLN A 17 -7.845 5.342 -12.004 1.00 0.00 C ATOM 192 OE1 GLN A 17 -6.704 5.183 -12.438 1.00 0.00 O ATOM 193 NE2 GLN A 17 -8.786 5.987 -12.683 1.00 0.00 N ATOM 0 H GLN A 17 -9.863 4.222 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.255 1.666 -9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.389 2.821 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.935 3.581 -11.127 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.911 5.509 -10.156 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.356 4.714 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.719 6.095 -12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.576 6.374 -13.603 1.00 0.00 H new ATOM 202 N GLU A 18 -6.834 1.764 -8.900 1.00 0.00 N ATOM 203 CA GLU A 18 -5.517 1.707 -8.276 1.00 0.00 C ATOM 204 C GLU A 18 -4.619 2.825 -8.799 1.00 0.00 C ATOM 205 O GLU A 18 -4.842 3.358 -9.886 1.00 0.00 O ATOM 206 CB GLU A 18 -4.863 0.349 -8.537 1.00 0.00 C ATOM 207 CG GLU A 18 -5.217 -0.706 -7.502 1.00 0.00 C ATOM 208 CD GLU A 18 -5.208 -2.111 -8.074 1.00 0.00 C ATOM 209 OE1 GLU A 18 -4.138 -2.554 -8.542 1.00 0.00 O ATOM 210 OE2 GLU A 18 -6.270 -2.767 -8.052 1.00 0.00 O ATOM 0 H GLU A 18 -7.049 0.971 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.646 1.840 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.163 -0.006 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.781 0.475 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.509 -0.650 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.204 -0.491 -7.092 1.00 0.00 H new ATOM 217 N MET A 19 -3.603 3.174 -8.017 1.00 0.00 N ATOM 218 CA MET A 19 -2.670 4.228 -8.400 1.00 0.00 C ATOM 219 C MET A 19 -1.300 3.996 -7.773 1.00 0.00 C ATOM 220 O MET A 19 -1.152 3.171 -6.870 1.00 0.00 O ATOM 221 CB MET A 19 -3.212 5.595 -7.980 1.00 0.00 C ATOM 222 CG MET A 19 -3.293 5.780 -6.473 1.00 0.00 C ATOM 223 SD MET A 19 -1.789 6.491 -5.778 1.00 0.00 S ATOM 224 CE MET A 19 -1.796 8.111 -6.543 1.00 0.00 C ATOM 0 H MET A 19 -3.404 2.743 -7.114 1.00 0.00 H new ATOM 0 HA MET A 19 -2.561 4.206 -9.484 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.575 6.374 -8.400 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.205 5.730 -8.408 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.139 6.425 -6.235 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.485 4.816 -6.002 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.510 8.862 -5.807 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.087 8.126 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.795 8.332 -6.918 1.00 0.00 H new ATOM 234 N ILE A 20 -0.301 4.726 -8.257 1.00 0.00 N ATOM 235 CA ILE A 20 1.057 4.600 -7.743 1.00 0.00 C ATOM 236 C ILE A 20 1.483 5.861 -6.999 1.00 0.00 C ATOM 237 O ILE A 20 1.047 6.965 -7.329 1.00 0.00 O ATOM 238 CB ILE A 20 2.064 4.319 -8.874 1.00 0.00 C ATOM 239 CG1 ILE A 20 1.659 3.061 -9.646 1.00 0.00 C ATOM 240 CG2 ILE A 20 3.468 4.172 -8.309 1.00 0.00 C ATOM 241 CD1 ILE A 20 0.701 3.332 -10.784 1.00 0.00 C ATOM 0 H ILE A 20 -0.407 5.411 -9.005 1.00 0.00 H new ATOM 0 HA ILE A 20 1.055 3.757 -7.052 1.00 0.00 H new ATOM 0 HB ILE A 20 2.058 5.163 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.555 2.584 -10.042 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.200 2.353 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.168 3.974 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.754 5.093 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.490 3.344 -7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.458 2.395 -11.286 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.212 3.781 -10.392 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.165 4.015 -11.495 1.00 0.00 H new ATOM 253 N ILE A 21 2.339 5.690 -5.997 1.00 0.00 N ATOM 254 CA ILE A 21 2.826 6.815 -5.209 1.00 0.00 C ATOM 255 C ILE A 21 4.301 6.644 -4.860 1.00 0.00 C ATOM 256 O ILE A 21 4.711 5.600 -4.354 1.00 0.00 O ATOM 257 CB ILE A 21 2.018 6.983 -3.909 1.00 0.00 C ATOM 258 CG1 ILE A 21 1.632 5.616 -3.342 1.00 0.00 C ATOM 259 CG2 ILE A 21 0.778 7.828 -4.161 1.00 0.00 C ATOM 260 CD1 ILE A 21 0.949 5.692 -1.994 1.00 0.00 C ATOM 0 H ILE A 21 2.709 4.783 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 21 2.702 7.708 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 21 2.640 7.496 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.971 5.113 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.529 5.003 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.218 7.938 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.076 8.812 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.151 7.341 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.704 4.686 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.616 6.167 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.034 6.278 -2.082 1.00 0.00 H new ATOM 272 N GLU A 22 5.092 7.677 -5.133 1.00 0.00 N ATOM 273 CA GLU A 22 6.521 7.640 -4.846 1.00 0.00 C ATOM 274 C GLU A 22 6.892 8.683 -3.796 1.00 0.00 C ATOM 275 O GLU A 22 6.423 9.820 -3.843 1.00 0.00 O ATOM 276 CB GLU A 22 7.327 7.879 -6.125 1.00 0.00 C ATOM 277 CG GLU A 22 8.757 7.371 -6.047 1.00 0.00 C ATOM 278 CD GLU A 22 9.712 8.186 -6.898 1.00 0.00 C ATOM 279 OE1 GLU A 22 9.584 8.144 -8.139 1.00 0.00 O ATOM 280 OE2 GLU A 22 10.587 8.865 -6.322 1.00 0.00 O ATOM 0 H GLU A 22 4.768 8.549 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 22 6.761 6.652 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.822 7.392 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.341 8.947 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.091 7.394 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.787 6.330 -6.369 1.00 0.00 H new ATOM 287 N ILE A 23 7.737 8.286 -2.850 1.00 0.00 N ATOM 288 CA ILE A 23 8.171 9.186 -1.788 1.00 0.00 C ATOM 289 C ILE A 23 9.692 9.206 -1.673 1.00 0.00 C ATOM 290 O ILE A 23 10.349 8.175 -1.815 1.00 0.00 O ATOM 291 CB ILE A 23 7.570 8.785 -0.429 1.00 0.00 C ATOM 292 CG1 ILE A 23 6.041 8.805 -0.497 1.00 0.00 C ATOM 293 CG2 ILE A 23 8.068 9.716 0.666 1.00 0.00 C ATOM 294 CD1 ILE A 23 5.375 8.098 0.663 1.00 0.00 C ATOM 0 H ILE A 23 8.134 7.348 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 23 7.815 10.182 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 23 7.892 7.771 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.700 9.840 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.721 8.338 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.634 9.419 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.155 9.657 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.773 10.740 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.292 8.152 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.687 7.054 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.666 8.578 1.597 1.00 0.00 H new ATOM 306 N SER A 24 10.244 10.387 -1.413 1.00 0.00 N ATOM 307 CA SER A 24 11.688 10.542 -1.280 1.00 0.00 C ATOM 308 C SER A 24 12.118 10.398 0.177 1.00 0.00 C ATOM 309 O SER A 24 11.753 11.209 1.028 1.00 0.00 O ATOM 310 CB SER A 24 12.128 11.904 -1.820 1.00 0.00 C ATOM 311 OG SER A 24 13.506 12.128 -1.580 1.00 0.00 O ATOM 0 H SER A 24 9.714 11.250 -1.290 1.00 0.00 H new ATOM 0 HA SER A 24 12.168 9.755 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.929 11.955 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.541 12.692 -1.349 1.00 0.00 H new ATOM 0 HG SER A 24 13.762 13.004 -1.936 1.00 0.00 H new ATOM 317 N LYS A 25 12.897 9.358 0.457 1.00 0.00 N ATOM 318 CA LYS A 25 13.379 9.105 1.809 1.00 0.00 C ATOM 319 C LYS A 25 14.167 10.299 2.338 1.00 0.00 C ATOM 320 O LYS A 25 15.228 10.636 1.815 1.00 0.00 O ATOM 321 CB LYS A 25 14.256 7.851 1.834 1.00 0.00 C ATOM 322 CG LYS A 25 13.465 6.555 1.790 1.00 0.00 C ATOM 323 CD LYS A 25 14.227 5.414 2.443 1.00 0.00 C ATOM 324 CE LYS A 25 13.613 4.065 2.100 1.00 0.00 C ATOM 325 NZ LYS A 25 14.037 3.004 3.055 1.00 0.00 N ATOM 0 H LYS A 25 13.208 8.677 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 25 12.513 8.949 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.939 7.879 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.867 7.863 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.510 6.693 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.242 6.299 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.267 5.435 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.230 5.549 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.526 4.148 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.903 3.780 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.785 2.071 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.066 3.054 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.556 3.145 3.966 1.00 0.00 H new ATOM 381 N GLY A 29 14.972 6.891 7.268 1.00 0.00 N ATOM 382 CA GLY A 29 14.081 5.988 6.565 1.00 0.00 C ATOM 383 C GLY A 29 12.621 6.259 6.870 1.00 0.00 C ATOM 384 O GLY A 29 12.302 7.054 7.756 1.00 0.00 O ATOM 0 HA2 GLY A 29 14.248 6.080 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.321 4.960 6.838 1.00 0.00 H new ATOM 388 N LEU A 30 11.732 5.599 6.136 1.00 0.00 N ATOM 389 CA LEU A 30 10.297 5.774 6.332 1.00 0.00 C ATOM 390 C LEU A 30 9.905 5.480 7.776 1.00 0.00 C ATOM 391 O LEU A 30 10.617 4.779 8.493 1.00 0.00 O ATOM 392 CB LEU A 30 9.518 4.861 5.384 1.00 0.00 C ATOM 393 CG LEU A 30 9.840 5.006 3.896 1.00 0.00 C ATOM 394 CD1 LEU A 30 9.341 3.797 3.121 1.00 0.00 C ATOM 395 CD2 LEU A 30 9.232 6.286 3.341 1.00 0.00 C ATOM 0 H LEU A 30 11.979 4.938 5.400 1.00 0.00 H new ATOM 0 HA LEU A 30 10.049 6.812 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.701 3.827 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.453 5.048 5.525 1.00 0.00 H new ATOM 0 HG LEU A 30 10.923 5.063 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.579 3.918 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.824 2.897 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.261 3.708 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.471 6.373 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.150 6.259 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.639 7.144 3.876 1.00 0.00 H new ATOM 407 N GLY A 31 8.764 6.020 8.196 1.00 0.00 N ATOM 408 CA GLY A 31 8.296 5.802 9.553 1.00 0.00 C ATOM 409 C GLY A 31 6.847 5.360 9.601 1.00 0.00 C ATOM 410 O GLY A 31 5.998 6.051 10.166 1.00 0.00 O ATOM 0 H GLY A 31 8.156 6.604 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.919 5.047 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.412 6.722 10.126 1.00 0.00 H new ATOM 414 N LEU A 32 6.562 4.207 9.007 1.00 0.00 N ATOM 415 CA LEU A 32 5.204 3.673 8.984 1.00 0.00 C ATOM 416 C LEU A 32 5.191 2.200 9.379 1.00 0.00 C ATOM 417 O LEU A 32 6.242 1.588 9.566 1.00 0.00 O ATOM 418 CB LEU A 32 4.592 3.845 7.592 1.00 0.00 C ATOM 419 CG LEU A 32 5.491 3.473 6.413 1.00 0.00 C ATOM 420 CD1 LEU A 32 6.119 2.105 6.631 1.00 0.00 C ATOM 421 CD2 LEU A 32 4.701 3.498 5.112 1.00 0.00 C ATOM 0 H LEU A 32 7.253 3.623 8.535 1.00 0.00 H new ATOM 0 HA LEU A 32 4.609 4.229 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.687 3.240 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.288 4.885 7.477 1.00 0.00 H new ATOM 0 HG LEU A 32 6.291 4.210 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.755 1.857 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.718 2.121 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.334 1.355 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.356 3.231 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.880 2.783 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.300 4.498 4.949 1.00 0.00 H new ATOM 433 N SER A 33 3.993 1.637 9.503 1.00 0.00 N ATOM 434 CA SER A 33 3.843 0.236 9.878 1.00 0.00 C ATOM 435 C SER A 33 2.758 -0.437 9.042 1.00 0.00 C ATOM 436 O SER A 33 1.893 0.231 8.475 1.00 0.00 O ATOM 437 CB SER A 33 3.503 0.117 11.365 1.00 0.00 C ATOM 438 OG SER A 33 3.396 -1.240 11.757 1.00 0.00 O ATOM 0 H SER A 33 3.113 2.129 9.349 1.00 0.00 H new ATOM 0 HA SER A 33 4.790 -0.268 9.688 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.273 0.610 11.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.565 0.633 11.569 1.00 0.00 H new ATOM 0 HG SER A 33 3.180 -1.289 12.712 1.00 0.00 H new ATOM 444 N ILE A 34 2.812 -1.763 8.970 1.00 0.00 N ATOM 445 CA ILE A 34 1.835 -2.526 8.205 1.00 0.00 C ATOM 446 C ILE A 34 1.262 -3.671 9.033 1.00 0.00 C ATOM 447 O ILE A 34 1.688 -3.909 10.163 1.00 0.00 O ATOM 448 CB ILE A 34 2.452 -3.099 6.915 1.00 0.00 C ATOM 449 CG1 ILE A 34 3.741 -3.859 7.235 1.00 0.00 C ATOM 450 CG2 ILE A 34 2.723 -1.983 5.917 1.00 0.00 C ATOM 451 CD1 ILE A 34 4.098 -4.904 6.202 1.00 0.00 C ATOM 0 H ILE A 34 3.522 -2.331 9.432 1.00 0.00 H new ATOM 0 HA ILE A 34 1.034 -1.836 7.939 1.00 0.00 H new ATOM 0 HB ILE A 34 1.743 -3.796 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.562 -3.147 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.637 -4.341 8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.159 -2.403 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.788 -1.480 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.417 -1.265 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.022 -5.403 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.295 -5.638 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.234 -4.425 5.232 1.00 0.00 H new ATOM 463 N VAL A 35 0.293 -4.380 8.461 1.00 0.00 N ATOM 464 CA VAL A 35 -0.338 -5.503 9.145 1.00 0.00 C ATOM 465 C VAL A 35 -1.046 -6.421 8.155 1.00 0.00 C ATOM 466 O VAL A 35 -1.651 -5.960 7.188 1.00 0.00 O ATOM 467 CB VAL A 35 -1.353 -5.021 10.198 1.00 0.00 C ATOM 468 CG1 VAL A 35 -0.656 -4.736 11.520 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.093 -3.789 9.700 1.00 0.00 C ATOM 0 H VAL A 35 -0.072 -4.197 7.526 1.00 0.00 H new ATOM 0 HA VAL A 35 0.457 -6.056 9.645 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.083 -5.813 10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.389 -4.396 12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.176 -5.645 11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.097 -3.962 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.806 -3.462 10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.378 -2.989 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.626 -4.031 8.780 1.00 0.00 H new ATOM 479 N GLY A 36 -0.968 -7.725 8.404 1.00 0.00 N ATOM 480 CA GLY A 36 -1.607 -8.688 7.526 1.00 0.00 C ATOM 481 C GLY A 36 -0.604 -9.519 6.750 1.00 0.00 C ATOM 482 O GLY A 36 0.583 -9.532 7.071 1.00 0.00 O ATOM 0 H GLY A 36 -0.474 -8.132 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.242 -9.348 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.257 -8.162 6.827 1.00 0.00 H new ATOM 486 N GLY A 37 -1.084 -10.217 5.725 1.00 0.00 N ATOM 487 CA GLY A 37 -0.209 -11.047 4.919 1.00 0.00 C ATOM 488 C GLY A 37 -0.570 -12.517 4.995 1.00 0.00 C ATOM 489 O GLY A 37 -1.746 -12.879 4.943 1.00 0.00 O ATOM 0 H GLY A 37 -2.063 -10.222 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.256 -10.718 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.821 -10.912 5.250 1.00 0.00 H new ATOM 493 N LYS A 38 0.443 -13.368 5.118 1.00 0.00 N ATOM 494 CA LYS A 38 0.227 -14.808 5.201 1.00 0.00 C ATOM 495 C LYS A 38 -0.056 -15.233 6.639 1.00 0.00 C ATOM 496 O LYS A 38 0.275 -14.518 7.584 1.00 0.00 O ATOM 497 CB LYS A 38 1.449 -15.559 4.668 1.00 0.00 C ATOM 498 CG LYS A 38 1.522 -15.602 3.151 1.00 0.00 C ATOM 499 CD LYS A 38 2.945 -15.824 2.667 1.00 0.00 C ATOM 500 CE LYS A 38 3.311 -17.300 2.673 1.00 0.00 C ATOM 501 NZ LYS A 38 2.794 -18.005 1.467 1.00 0.00 N ATOM 0 H LYS A 38 1.422 -13.085 5.162 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.640 -15.056 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.352 -15.086 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.434 -16.579 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.881 -16.401 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.139 -14.668 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.054 -15.425 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.637 -15.274 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.395 -17.405 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.907 -17.771 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.064 -19.008 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.757 -17.927 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.199 -17.573 0.612 1.00 0.00 H new ATOM 515 N ASP A 39 -0.670 -16.401 6.795 1.00 0.00 N ATOM 516 CA ASP A 39 -0.995 -16.923 8.117 1.00 0.00 C ATOM 517 C ASP A 39 -1.697 -15.864 8.962 1.00 0.00 C ATOM 518 O ASP A 39 -1.615 -15.878 10.190 1.00 0.00 O ATOM 519 CB ASP A 39 0.273 -17.400 8.827 1.00 0.00 C ATOM 520 CG ASP A 39 1.054 -18.405 8.003 1.00 0.00 C ATOM 521 OD1 ASP A 39 0.856 -18.443 6.771 1.00 0.00 O ATOM 522 OD2 ASP A 39 1.864 -19.153 8.590 1.00 0.00 O ATOM 0 H ASP A 39 -0.952 -17.004 6.022 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.671 -17.769 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.908 -16.542 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.004 -17.849 9.783 1.00 0.00 H new ATOM 527 N THR A 40 -2.388 -14.944 8.294 1.00 0.00 N ATOM 528 CA THR A 40 -3.102 -13.876 8.982 1.00 0.00 C ATOM 529 C THR A 40 -4.574 -13.854 8.584 1.00 0.00 C ATOM 530 O THR A 40 -4.967 -14.373 7.539 1.00 0.00 O ATOM 531 CB THR A 40 -2.480 -12.500 8.682 1.00 0.00 C ATOM 532 OG1 THR A 40 -1.937 -12.486 7.357 1.00 0.00 O ATOM 533 CG2 THR A 40 -1.387 -12.169 9.687 1.00 0.00 C ATOM 0 H THR A 40 -2.468 -14.918 7.277 1.00 0.00 H new ATOM 0 HA THR A 40 -3.020 -14.078 10.050 1.00 0.00 H new ATOM 0 HB THR A 40 -3.264 -11.747 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.556 -12.937 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.963 -11.192 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.810 -12.151 10.692 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.604 -12.926 9.636 1.00 0.00 H new ATOM 541 N PRO A 41 -5.408 -13.239 9.435 1.00 0.00 N ATOM 542 CA PRO A 41 -6.850 -13.134 9.193 1.00 0.00 C ATOM 543 C PRO A 41 -7.176 -12.192 8.038 1.00 0.00 C ATOM 544 O PRO A 41 -8.344 -11.951 7.731 1.00 0.00 O ATOM 545 CB PRO A 41 -7.391 -12.572 10.510 1.00 0.00 C ATOM 546 CG PRO A 41 -6.241 -11.842 11.111 1.00 0.00 C ATOM 547 CD PRO A 41 -5.009 -12.599 10.700 1.00 0.00 C ATOM 0 HA PRO A 41 -7.287 -14.092 8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.237 -11.906 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.741 -13.369 11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.203 -10.813 10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.329 -11.801 12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.156 -11.934 10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.721 -13.336 11.450 1.00 0.00 H new ATOM 555 N LEU A 42 -6.137 -11.663 7.401 1.00 0.00 N ATOM 556 CA LEU A 42 -6.313 -10.748 6.279 1.00 0.00 C ATOM 557 C LEU A 42 -5.248 -10.981 5.213 1.00 0.00 C ATOM 558 O LEU A 42 -4.055 -11.019 5.512 1.00 0.00 O ATOM 559 CB LEU A 42 -6.257 -9.298 6.764 1.00 0.00 C ATOM 560 CG LEU A 42 -5.004 -8.900 7.545 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.743 -7.408 7.411 1.00 0.00 C ATOM 562 CD2 LEU A 42 -5.142 -9.290 9.009 1.00 0.00 C ATOM 0 H LEU A 42 -5.164 -11.852 7.642 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.291 -10.939 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.344 -8.642 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.127 -9.112 7.393 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.152 -9.436 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.848 -7.143 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.599 -7.157 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.595 -6.853 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.241 -8.999 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.004 -8.782 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.280 -10.368 9.087 1.00 0.00 H new ATOM 574 N ASN A 43 -5.686 -11.135 3.968 1.00 0.00 N ATOM 575 CA ASN A 43 -4.770 -11.363 2.857 1.00 0.00 C ATOM 576 C ASN A 43 -4.464 -10.058 2.127 1.00 0.00 C ATOM 577 O ASN A 43 -4.031 -10.066 0.976 1.00 0.00 O ATOM 578 CB ASN A 43 -5.362 -12.380 1.880 1.00 0.00 C ATOM 579 CG ASN A 43 -5.268 -13.802 2.398 1.00 0.00 C ATOM 580 OD1 ASN A 43 -5.821 -14.038 3.583 1.00 0.00 O flip ATOM 581 ND2 ASN A 43 -4.706 -14.678 1.741 1.00 0.00 N flip ATOM 0 H ASN A 43 -6.671 -11.106 3.703 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.839 -11.759 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.407 -12.133 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.841 -12.309 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.295 -14.452 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.651 -15.630 2.102 1.00 0.00 H new ATOM 588 N ALA A 44 -4.693 -8.939 2.807 1.00 0.00 N ATOM 589 CA ALA A 44 -4.440 -7.627 2.225 1.00 0.00 C ATOM 590 C ALA A 44 -3.612 -6.759 3.166 1.00 0.00 C ATOM 591 O ALA A 44 -4.008 -6.511 4.306 1.00 0.00 O ATOM 592 CB ALA A 44 -5.754 -6.938 1.886 1.00 0.00 C ATOM 0 H ALA A 44 -5.053 -8.915 3.761 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.869 -7.768 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.550 -5.959 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.308 -7.544 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.346 -6.817 2.793 1.00 0.00 H new ATOM 598 N ILE A 45 -2.462 -6.301 2.683 1.00 0.00 N ATOM 599 CA ILE A 45 -1.580 -5.461 3.483 1.00 0.00 C ATOM 600 C ILE A 45 -2.224 -4.110 3.777 1.00 0.00 C ATOM 601 O ILE A 45 -2.675 -3.414 2.867 1.00 0.00 O ATOM 602 CB ILE A 45 -0.230 -5.230 2.777 1.00 0.00 C ATOM 603 CG1 ILE A 45 0.386 -6.566 2.359 1.00 0.00 C ATOM 604 CG2 ILE A 45 0.719 -4.464 3.686 1.00 0.00 C ATOM 605 CD1 ILE A 45 0.723 -7.468 3.525 1.00 0.00 C ATOM 0 H ILE A 45 -2.120 -6.497 1.742 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.406 -5.990 4.420 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.402 -4.634 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.307 -7.085 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.292 -6.375 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.668 -4.309 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.281 -3.498 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.889 -5.035 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.156 -8.397 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.441 -6.968 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.184 -7.690 4.087 1.00 0.00 H new ATOM 617 N VAL A 46 -2.263 -3.745 5.055 1.00 0.00 N ATOM 618 CA VAL A 46 -2.849 -2.476 5.469 1.00 0.00 C ATOM 619 C VAL A 46 -1.879 -1.680 6.335 1.00 0.00 C ATOM 620 O VAL A 46 -1.120 -2.249 7.119 1.00 0.00 O ATOM 621 CB VAL A 46 -4.159 -2.692 6.251 1.00 0.00 C ATOM 622 CG1 VAL A 46 -4.870 -1.367 6.478 1.00 0.00 C ATOM 623 CG2 VAL A 46 -5.062 -3.672 5.516 1.00 0.00 C ATOM 0 H VAL A 46 -1.896 -4.310 5.821 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.065 -1.915 4.560 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.915 -3.117 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.793 -1.540 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.224 -0.700 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.104 -0.910 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.983 -3.813 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.300 -3.277 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.551 -4.629 5.410 1.00 0.00 H new ATOM 633 N ILE A 47 -1.911 -0.360 6.187 1.00 0.00 N ATOM 634 CA ILE A 47 -1.036 0.516 6.957 1.00 0.00 C ATOM 635 C ILE A 47 -1.547 0.688 8.384 1.00 0.00 C ATOM 636 O ILE A 47 -2.539 1.377 8.620 1.00 0.00 O ATOM 637 CB ILE A 47 -0.906 1.902 6.299 1.00 0.00 C ATOM 638 CG1 ILE A 47 -0.487 1.759 4.835 1.00 0.00 C ATOM 639 CG2 ILE A 47 0.094 2.759 7.061 1.00 0.00 C ATOM 640 CD1 ILE A 47 -0.298 3.083 4.128 1.00 0.00 C ATOM 0 H ILE A 47 -2.533 0.126 5.541 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.055 0.041 6.980 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.877 2.396 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.444 1.194 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.241 1.178 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.175 3.735 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.244 2.885 8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.069 2.271 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.001 2.904 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.234 3.642 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.478 3.658 4.634 1.00 0.00 H new ATOM 652 N HIS A 48 -0.860 0.058 9.332 1.00 0.00 N ATOM 653 CA HIS A 48 -1.243 0.144 10.737 1.00 0.00 C ATOM 654 C HIS A 48 -1.165 1.584 11.235 1.00 0.00 C ATOM 655 O HIS A 48 -2.168 2.162 11.650 1.00 0.00 O ATOM 656 CB HIS A 48 -0.343 -0.753 11.588 1.00 0.00 C ATOM 657 CG HIS A 48 -0.841 -0.946 12.987 1.00 0.00 C ATOM 658 ND1 HIS A 48 -1.723 -1.946 13.340 1.00 0.00 N ATOM 659 CD2 HIS A 48 -0.574 -0.263 14.125 1.00 0.00 C ATOM 660 CE1 HIS A 48 -1.979 -1.867 14.634 1.00 0.00 C ATOM 661 NE2 HIS A 48 -1.294 -0.855 15.134 1.00 0.00 N ATOM 0 H HIS A 48 -0.037 -0.517 9.153 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.274 -0.197 10.829 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.253 -1.726 11.106 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.657 -0.321 11.623 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.083 0.589 14.222 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.637 -2.520 15.189 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.299 -0.561 16.111 1.00 0.00 H new ATOM 670 N GLU A 49 0.035 2.155 11.191 1.00 0.00 N ATOM 671 CA GLU A 49 0.243 3.527 11.639 1.00 0.00 C ATOM 672 C GLU A 49 1.386 4.184 10.870 1.00 0.00 C ATOM 673 O GLU A 49 2.293 3.507 10.387 1.00 0.00 O ATOM 674 CB GLU A 49 0.541 3.557 13.140 1.00 0.00 C ATOM 675 CG GLU A 49 0.494 4.951 13.742 1.00 0.00 C ATOM 676 CD GLU A 49 0.564 4.935 15.257 1.00 0.00 C ATOM 677 OE1 GLU A 49 0.019 3.990 15.865 1.00 0.00 O ATOM 678 OE2 GLU A 49 1.164 5.866 15.833 1.00 0.00 O ATOM 0 H GLU A 49 0.876 1.690 10.850 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.672 4.087 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.179 2.922 13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.528 3.128 13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.323 5.540 13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.425 5.447 13.430 1.00 0.00 H new ATOM 685 N VAL A 50 1.333 5.507 10.759 1.00 0.00 N ATOM 686 CA VAL A 50 2.363 6.256 10.049 1.00 0.00 C ATOM 687 C VAL A 50 3.022 7.284 10.961 1.00 0.00 C ATOM 688 O VAL A 50 2.527 8.401 11.116 1.00 0.00 O ATOM 689 CB VAL A 50 1.784 6.977 8.817 1.00 0.00 C ATOM 690 CG1 VAL A 50 2.896 7.617 8.001 1.00 0.00 C ATOM 691 CG2 VAL A 50 0.976 6.009 7.965 1.00 0.00 C ATOM 0 H VAL A 50 0.588 6.082 11.152 1.00 0.00 H new ATOM 0 HA VAL A 50 3.110 5.533 9.721 1.00 0.00 H new ATOM 0 HB VAL A 50 1.117 7.768 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.468 8.121 7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.428 8.342 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.591 6.847 7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.574 6.535 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.619 5.195 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.155 5.602 8.556 1.00 0.00 H new ATOM 701 N TYR A 51 4.142 6.900 11.563 1.00 0.00 N ATOM 702 CA TYR A 51 4.870 7.788 12.463 1.00 0.00 C ATOM 703 C TYR A 51 5.039 9.172 11.843 1.00 0.00 C ATOM 704 O TYR A 51 5.898 9.379 10.987 1.00 0.00 O ATOM 705 CB TYR A 51 6.239 7.197 12.799 1.00 0.00 C ATOM 706 CG TYR A 51 6.186 5.746 13.221 1.00 0.00 C ATOM 707 CD1 TYR A 51 5.048 5.217 13.819 1.00 0.00 C ATOM 708 CD2 TYR A 51 7.272 4.903 13.021 1.00 0.00 C ATOM 709 CE1 TYR A 51 4.995 3.892 14.206 1.00 0.00 C ATOM 710 CE2 TYR A 51 7.227 3.576 13.403 1.00 0.00 C ATOM 711 CZ TYR A 51 6.086 3.076 13.996 1.00 0.00 C ATOM 712 OH TYR A 51 6.038 1.755 14.379 1.00 0.00 O ATOM 0 H TYR A 51 4.566 5.980 11.444 1.00 0.00 H new ATOM 0 HA TYR A 51 4.290 7.889 13.381 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.889 7.290 11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.692 7.783 13.599 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.191 5.853 13.984 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.167 5.292 12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.103 3.497 14.671 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.080 2.934 13.238 1.00 0.00 H new ATOM 0 HH TYR A 51 6.888 1.320 14.159 1.00 0.00 H new ATOM 722 N GLU A 52 4.213 10.116 12.284 1.00 0.00 N ATOM 723 CA GLU A 52 4.271 11.480 11.773 1.00 0.00 C ATOM 724 C GLU A 52 5.717 11.935 11.597 1.00 0.00 C ATOM 725 O GLU A 52 6.013 12.788 10.761 1.00 0.00 O ATOM 726 CB GLU A 52 3.537 12.434 12.718 1.00 0.00 C ATOM 727 CG GLU A 52 2.329 11.809 13.397 1.00 0.00 C ATOM 728 CD GLU A 52 1.246 12.823 13.708 1.00 0.00 C ATOM 729 OE1 GLU A 52 0.537 13.242 12.770 1.00 0.00 O ATOM 730 OE2 GLU A 52 1.107 13.197 14.892 1.00 0.00 O ATOM 0 H GLU A 52 3.497 9.961 12.993 1.00 0.00 H new ATOM 0 HA GLU A 52 3.782 11.496 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.233 12.782 13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.214 13.311 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.918 11.030 12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.646 11.326 14.321 1.00 0.00 H new ATOM 737 N GLU A 53 6.613 11.358 12.392 1.00 0.00 N ATOM 738 CA GLU A 53 8.028 11.704 12.324 1.00 0.00 C ATOM 739 C GLU A 53 8.758 10.820 11.317 1.00 0.00 C ATOM 740 O GLU A 53 9.876 10.371 11.564 1.00 0.00 O ATOM 741 CB GLU A 53 8.676 11.566 13.704 1.00 0.00 C ATOM 742 CG GLU A 53 8.406 12.744 14.624 1.00 0.00 C ATOM 743 CD GLU A 53 9.083 12.598 15.973 1.00 0.00 C ATOM 744 OE1 GLU A 53 8.992 11.504 16.567 1.00 0.00 O ATOM 745 OE2 GLU A 53 9.704 13.579 16.434 1.00 0.00 O ATOM 0 H GLU A 53 6.384 10.650 13.090 1.00 0.00 H new ATOM 0 HA GLU A 53 8.106 12.740 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.311 10.655 14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.753 11.452 13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.752 13.660 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.331 12.847 14.771 1.00 0.00 H new ATOM 752 N GLY A 54 8.115 10.575 10.179 1.00 0.00 N ATOM 753 CA GLY A 54 8.716 9.745 9.151 1.00 0.00 C ATOM 754 C GLY A 54 8.546 10.329 7.763 1.00 0.00 C ATOM 755 O GLY A 54 7.660 11.151 7.532 1.00 0.00 O ATOM 0 H GLY A 54 7.189 10.936 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.778 9.622 9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.268 8.752 9.182 1.00 0.00 H new ATOM 759 N ALA A 55 9.399 9.905 6.836 1.00 0.00 N ATOM 760 CA ALA A 55 9.339 10.390 5.463 1.00 0.00 C ATOM 761 C ALA A 55 7.955 10.169 4.862 1.00 0.00 C ATOM 762 O ALA A 55 7.423 11.036 4.170 1.00 0.00 O ATOM 763 CB ALA A 55 10.401 9.706 4.614 1.00 0.00 C ATOM 0 H ALA A 55 10.140 9.226 7.011 1.00 0.00 H new ATOM 0 HA ALA A 55 9.534 11.462 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.344 10.078 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.388 9.920 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.232 8.629 4.618 1.00 0.00 H new ATOM 769 N ALA A 56 7.378 9.003 5.131 1.00 0.00 N ATOM 770 CA ALA A 56 6.055 8.668 4.618 1.00 0.00 C ATOM 771 C ALA A 56 5.036 9.742 4.986 1.00 0.00 C ATOM 772 O ALA A 56 4.328 10.260 4.124 1.00 0.00 O ATOM 773 CB ALA A 56 5.611 7.313 5.147 1.00 0.00 C ATOM 0 H ALA A 56 7.806 8.274 5.702 1.00 0.00 H new ATOM 0 HA ALA A 56 6.116 8.619 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.622 7.076 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.320 6.548 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.573 7.342 6.236 1.00 0.00 H new ATOM 779 N ALA A 57 4.968 10.070 6.272 1.00 0.00 N ATOM 780 CA ALA A 57 4.037 11.083 6.754 1.00 0.00 C ATOM 781 C ALA A 57 4.321 12.438 6.115 1.00 0.00 C ATOM 782 O ALA A 57 3.409 13.116 5.641 1.00 0.00 O ATOM 783 CB ALA A 57 4.107 11.186 8.270 1.00 0.00 C ATOM 0 H ALA A 57 5.547 9.649 6.999 1.00 0.00 H new ATOM 0 HA ALA A 57 3.030 10.781 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.407 11.946 8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.847 10.224 8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.118 11.461 8.570 1.00 0.00 H new ATOM 789 N ARG A 58 5.592 12.828 6.108 1.00 0.00 N ATOM 790 CA ARG A 58 5.996 14.104 5.529 1.00 0.00 C ATOM 791 C ARG A 58 5.213 14.395 4.252 1.00 0.00 C ATOM 792 O ARG A 58 4.544 15.422 4.142 1.00 0.00 O ATOM 793 CB ARG A 58 7.496 14.101 5.231 1.00 0.00 C ATOM 794 CG ARG A 58 8.365 14.089 6.478 1.00 0.00 C ATOM 795 CD ARG A 58 8.559 15.490 7.036 1.00 0.00 C ATOM 796 NE ARG A 58 7.288 16.125 7.373 1.00 0.00 N ATOM 797 CZ ARG A 58 6.646 15.923 8.518 1.00 0.00 C ATOM 798 NH1 ARG A 58 7.155 15.107 9.431 1.00 0.00 N ATOM 799 NH2 ARG A 58 5.494 16.537 8.752 1.00 0.00 N ATOM 0 H ARG A 58 6.359 12.279 6.496 1.00 0.00 H new ATOM 0 HA ARG A 58 5.778 14.888 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.735 13.228 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.741 14.981 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.906 13.455 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.336 13.653 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.188 15.442 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.087 16.102 6.305 1.00 0.00 H new ATOM 0 HE ARG A 58 6.870 16.759 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.041 14.633 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.661 14.953 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.100 17.165 8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.002 16.381 9.632 1.00 0.00 H new ATOM 813 N ASP A 59 5.302 13.483 3.290 1.00 0.00 N ATOM 814 CA ASP A 59 4.602 13.640 2.020 1.00 0.00 C ATOM 815 C ASP A 59 3.115 13.892 2.248 1.00 0.00 C ATOM 816 O ASP A 59 2.528 14.793 1.648 1.00 0.00 O ATOM 817 CB ASP A 59 4.794 12.397 1.150 1.00 0.00 C ATOM 818 CG ASP A 59 4.730 12.712 -0.331 1.00 0.00 C ATOM 819 OD1 ASP A 59 4.612 13.906 -0.679 1.00 0.00 O ATOM 820 OD2 ASP A 59 4.796 11.765 -1.143 1.00 0.00 O ATOM 0 H ASP A 59 5.852 12.627 3.365 1.00 0.00 H new ATOM 0 HA ASP A 59 5.024 14.503 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.757 11.941 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.027 11.663 1.396 1.00 0.00 H new ATOM 825 N GLY A 60 2.509 13.090 3.118 1.00 0.00 N ATOM 826 CA GLY A 60 1.096 13.241 3.408 1.00 0.00 C ATOM 827 C GLY A 60 0.215 12.621 2.342 1.00 0.00 C ATOM 828 O GLY A 60 -0.897 13.088 2.096 1.00 0.00 O ATOM 0 H GLY A 60 2.972 12.338 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.875 12.780 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.859 14.301 3.500 1.00 0.00 H new ATOM 832 N ARG A 61 0.714 11.566 1.705 1.00 0.00 N ATOM 833 CA ARG A 61 -0.034 10.883 0.656 1.00 0.00 C ATOM 834 C ARG A 61 -0.589 9.554 1.162 1.00 0.00 C ATOM 835 O ARG A 61 -1.597 9.058 0.657 1.00 0.00 O ATOM 836 CB ARG A 61 0.858 10.644 -0.563 1.00 0.00 C ATOM 837 CG ARG A 61 1.313 11.924 -1.245 1.00 0.00 C ATOM 838 CD ARG A 61 0.291 12.407 -2.262 1.00 0.00 C ATOM 839 NE ARG A 61 -0.824 13.105 -1.628 1.00 0.00 N ATOM 840 CZ ARG A 61 -0.772 14.375 -1.242 1.00 0.00 C ATOM 841 NH1 ARG A 61 0.334 15.082 -1.425 1.00 0.00 N ATOM 842 NH2 ARG A 61 -1.829 14.940 -0.672 1.00 0.00 N ATOM 0 H ARG A 61 1.632 11.166 1.897 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.870 11.520 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.735 10.075 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.317 10.031 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.476 12.699 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.269 11.754 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.776 13.072 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.088 11.556 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.690 12.589 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.148 14.651 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.371 16.057 -1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.682 14.399 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.788 15.915 -0.376 1.00 0.00 H new ATOM 856 N LEU A 62 0.075 8.984 2.161 1.00 0.00 N ATOM 857 CA LEU A 62 -0.351 7.712 2.735 1.00 0.00 C ATOM 858 C LEU A 62 -1.001 7.921 4.099 1.00 0.00 C ATOM 859 O LEU A 62 -0.351 8.367 5.045 1.00 0.00 O ATOM 860 CB LEU A 62 0.842 6.764 2.866 1.00 0.00 C ATOM 861 CG LEU A 62 1.270 6.043 1.587 1.00 0.00 C ATOM 862 CD1 LEU A 62 2.486 5.169 1.848 1.00 0.00 C ATOM 863 CD2 LEU A 62 0.121 5.212 1.033 1.00 0.00 C ATOM 0 H LEU A 62 0.910 9.382 2.591 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.088 7.268 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.693 7.333 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.603 6.014 3.620 1.00 0.00 H new ATOM 0 HG LEU A 62 1.541 6.793 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.776 4.664 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.312 5.789 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.244 4.426 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.444 4.706 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.182 4.471 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.723 5.864 0.806 1.00 0.00 H new ATOM 875 N TRP A 63 -2.285 7.595 4.194 1.00 0.00 N ATOM 876 CA TRP A 63 -3.021 7.745 5.443 1.00 0.00 C ATOM 877 C TRP A 63 -3.310 6.387 6.072 1.00 0.00 C ATOM 878 O TRP A 63 -3.690 5.442 5.381 1.00 0.00 O ATOM 879 CB TRP A 63 -4.331 8.497 5.200 1.00 0.00 C ATOM 880 CG TRP A 63 -4.185 9.657 4.262 1.00 0.00 C ATOM 881 CD1 TRP A 63 -3.024 10.288 3.914 1.00 0.00 C ATOM 882 CD2 TRP A 63 -5.235 10.326 3.556 1.00 0.00 C ATOM 883 NE1 TRP A 63 -3.290 11.308 3.033 1.00 0.00 N ATOM 884 CE2 TRP A 63 -4.639 11.352 2.797 1.00 0.00 C ATOM 885 CE3 TRP A 63 -6.620 10.157 3.489 1.00 0.00 C ATOM 886 CZ2 TRP A 63 -5.382 12.204 1.984 1.00 0.00 C ATOM 887 CZ3 TRP A 63 -7.357 11.003 2.682 1.00 0.00 C ATOM 888 CH2 TRP A 63 -6.737 12.016 1.937 1.00 0.00 C ATOM 0 H TRP A 63 -2.838 7.225 3.421 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.403 8.319 6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.070 7.804 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.717 8.857 6.154 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -2.042 10.024 4.278 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.596 11.932 2.621 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.107 9.379 4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.906 12.986 1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -8.429 10.882 2.624 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.340 12.660 1.314 1.00 0.00 H new ATOM 899 N ALA A 64 -3.127 6.296 7.385 1.00 0.00 N ATOM 900 CA ALA A 64 -3.371 5.053 8.106 1.00 0.00 C ATOM 901 C ALA A 64 -4.742 4.479 7.764 1.00 0.00 C ATOM 902 O ALA A 64 -5.771 5.050 8.123 1.00 0.00 O ATOM 903 CB ALA A 64 -3.251 5.280 9.606 1.00 0.00 C ATOM 0 H ALA A 64 -2.811 7.068 7.971 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.616 4.330 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.436 4.343 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.248 5.636 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.983 6.023 9.921 1.00 0.00 H new ATOM 909 N GLY A 65 -4.748 3.347 7.068 1.00 0.00 N ATOM 910 CA GLY A 65 -5.998 2.715 6.689 1.00 0.00 C ATOM 911 C GLY A 65 -6.077 2.432 5.202 1.00 0.00 C ATOM 912 O GLY A 65 -7.167 2.279 4.649 1.00 0.00 O ATOM 0 H GLY A 65 -3.909 2.856 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.111 1.781 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.829 3.358 6.978 1.00 0.00 H new ATOM 916 N ASP A 66 -4.921 2.364 4.552 1.00 0.00 N ATOM 917 CA ASP A 66 -4.863 2.098 3.119 1.00 0.00 C ATOM 918 C ASP A 66 -4.497 0.642 2.851 1.00 0.00 C ATOM 919 O ASP A 66 -4.081 -0.080 3.757 1.00 0.00 O ATOM 920 CB ASP A 66 -3.848 3.024 2.447 1.00 0.00 C ATOM 921 CG ASP A 66 -3.853 2.891 0.937 1.00 0.00 C ATOM 922 OD1 ASP A 66 -3.289 1.901 0.427 1.00 0.00 O ATOM 923 OD2 ASP A 66 -4.422 3.777 0.265 1.00 0.00 O ATOM 0 H ASP A 66 -4.011 2.489 4.995 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.851 2.289 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.067 4.057 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.850 2.800 2.825 1.00 0.00 H new ATOM 928 N GLN A 67 -4.656 0.217 1.602 1.00 0.00 N ATOM 929 CA GLN A 67 -4.343 -1.154 1.216 1.00 0.00 C ATOM 930 C GLN A 67 -3.302 -1.182 0.102 1.00 0.00 C ATOM 931 O GLN A 67 -3.585 -0.803 -1.035 1.00 0.00 O ATOM 932 CB GLN A 67 -5.611 -1.880 0.763 1.00 0.00 C ATOM 933 CG GLN A 67 -6.361 -2.559 1.898 1.00 0.00 C ATOM 934 CD GLN A 67 -7.756 -2.995 1.497 1.00 0.00 C ATOM 935 OE1 GLN A 67 -8.751 -2.418 1.939 1.00 0.00 O ATOM 936 NE2 GLN A 67 -7.838 -4.018 0.654 1.00 0.00 N ATOM 0 H GLN A 67 -5.000 0.802 0.840 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.931 -1.665 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.275 -1.165 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.345 -2.628 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.795 -3.428 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.427 -1.876 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.988 -4.467 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.751 -4.355 0.348 1.00 0.00 H new ATOM 945 N ILE A 68 -2.097 -1.633 0.436 1.00 0.00 N ATOM 946 CA ILE A 68 -1.015 -1.711 -0.536 1.00 0.00 C ATOM 947 C ILE A 68 -1.081 -3.012 -1.329 1.00 0.00 C ATOM 948 O ILE A 68 -1.505 -4.046 -0.813 1.00 0.00 O ATOM 949 CB ILE A 68 0.363 -1.608 0.145 1.00 0.00 C ATOM 950 CG1 ILE A 68 0.453 -0.322 0.970 1.00 0.00 C ATOM 951 CG2 ILE A 68 1.473 -1.655 -0.894 1.00 0.00 C ATOM 952 CD1 ILE A 68 -0.093 -0.466 2.374 1.00 0.00 C ATOM 0 H ILE A 68 -1.846 -1.950 1.373 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.140 -0.867 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 68 0.484 -2.458 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.495 -0.007 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.093 0.469 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.440 -1.581 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.418 -2.595 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.357 -0.822 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.003 0.483 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.144 -0.751 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.468 -1.234 2.906 1.00 0.00 H new ATOM 964 N LEU A 69 -0.657 -2.953 -2.587 1.00 0.00 N ATOM 965 CA LEU A 69 -0.665 -4.128 -3.453 1.00 0.00 C ATOM 966 C LEU A 69 0.746 -4.472 -3.917 1.00 0.00 C ATOM 967 O LEU A 69 1.048 -5.629 -4.210 1.00 0.00 O ATOM 968 CB LEU A 69 -1.568 -3.886 -4.664 1.00 0.00 C ATOM 969 CG LEU A 69 -3.032 -3.568 -4.357 1.00 0.00 C ATOM 970 CD1 LEU A 69 -3.698 -2.913 -5.556 1.00 0.00 C ATOM 971 CD2 LEU A 69 -3.779 -4.830 -3.953 1.00 0.00 C ATOM 0 H LEU A 69 -0.304 -2.105 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.054 -4.970 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.152 -3.062 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.535 -4.771 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.064 -2.868 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.739 -2.694 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.178 -1.986 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.655 -3.589 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.819 -4.584 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.738 -5.554 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.316 -5.258 -3.064 1.00 0.00 H new ATOM 983 N GLU A 70 1.607 -3.461 -3.979 1.00 0.00 N ATOM 984 CA GLU A 70 2.987 -3.658 -4.407 1.00 0.00 C ATOM 985 C GLU A 70 3.898 -2.587 -3.815 1.00 0.00 C ATOM 986 O GLU A 70 3.439 -1.518 -3.412 1.00 0.00 O ATOM 987 CB GLU A 70 3.080 -3.636 -5.934 1.00 0.00 C ATOM 988 CG GLU A 70 4.255 -4.426 -6.484 1.00 0.00 C ATOM 989 CD GLU A 70 3.977 -5.005 -7.858 1.00 0.00 C ATOM 990 OE1 GLU A 70 2.789 -5.215 -8.183 1.00 0.00 O ATOM 991 OE2 GLU A 70 4.946 -5.247 -8.607 1.00 0.00 O ATOM 0 H GLU A 70 1.373 -2.498 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 70 3.317 -4.632 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.156 -4.037 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.159 -2.602 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.130 -3.779 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.498 -5.235 -5.795 1.00 0.00 H new ATOM 998 N VAL A 71 5.194 -2.881 -3.765 1.00 0.00 N ATOM 999 CA VAL A 71 6.171 -1.944 -3.224 1.00 0.00 C ATOM 1000 C VAL A 71 7.529 -2.118 -3.894 1.00 0.00 C ATOM 1001 O VAL A 71 8.080 -3.217 -3.926 1.00 0.00 O ATOM 1002 CB VAL A 71 6.334 -2.121 -1.703 1.00 0.00 C ATOM 1003 CG1 VAL A 71 6.814 -3.527 -1.377 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.293 -1.079 -1.146 1.00 0.00 C ATOM 0 H VAL A 71 5.591 -3.761 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 71 5.795 -0.941 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 71 5.362 -1.977 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.923 -3.633 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.087 -4.253 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.776 -3.704 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.397 -1.218 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.267 -1.190 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.903 -0.081 -1.347 1.00 0.00 H new ATOM 1014 N ASN A 72 8.063 -1.025 -4.428 1.00 0.00 N ATOM 1015 CA ASN A 72 9.358 -1.056 -5.098 1.00 0.00 C ATOM 1016 C ASN A 72 9.443 -2.235 -6.063 1.00 0.00 C ATOM 1017 O ASN A 72 10.509 -2.821 -6.251 1.00 0.00 O ATOM 1018 CB ASN A 72 10.487 -1.143 -4.068 1.00 0.00 C ATOM 1019 CG ASN A 72 11.761 -0.475 -4.549 1.00 0.00 C ATOM 1020 OD1 ASN A 72 11.781 0.852 -4.518 1.00 0.00 O flip ATOM 1021 ND2 ASN A 72 12.715 -1.145 -4.944 1.00 0.00 N flip ATOM 0 H ASN A 72 7.619 -0.107 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 72 9.466 -0.134 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.164 -0.675 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.691 -2.190 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.655 -2.163 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.565 -0.682 -5.265 1.00 0.00 H new ATOM 1028 N GLY A 73 8.312 -2.576 -6.673 1.00 0.00 N ATOM 1029 CA GLY A 73 8.280 -3.683 -7.611 1.00 0.00 C ATOM 1030 C GLY A 73 8.280 -5.031 -6.917 1.00 0.00 C ATOM 1031 O GLY A 73 8.803 -6.011 -7.449 1.00 0.00 O ATOM 0 H GLY A 73 7.418 -2.106 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.391 -3.600 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.143 -3.619 -8.274 1.00 0.00 H new ATOM 1035 N VAL A 74 7.693 -5.082 -5.726 1.00 0.00 N ATOM 1036 CA VAL A 74 7.628 -6.320 -4.958 1.00 0.00 C ATOM 1037 C VAL A 74 6.193 -6.644 -4.560 1.00 0.00 C ATOM 1038 O VAL A 74 5.654 -6.069 -3.614 1.00 0.00 O ATOM 1039 CB VAL A 74 8.495 -6.239 -3.688 1.00 0.00 C ATOM 1040 CG1 VAL A 74 8.407 -7.535 -2.897 1.00 0.00 C ATOM 1041 CG2 VAL A 74 9.939 -5.922 -4.048 1.00 0.00 C ATOM 0 H VAL A 74 7.255 -4.280 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 74 8.012 -7.112 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 74 8.115 -5.432 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.026 -7.459 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.372 -7.715 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.760 -8.362 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.537 -5.868 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.333 -6.705 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.983 -4.965 -4.568 1.00 0.00 H new ATOM 1051 N ASP A 75 5.578 -7.570 -5.288 1.00 0.00 N ATOM 1052 CA ASP A 75 4.204 -7.973 -5.010 1.00 0.00 C ATOM 1053 C ASP A 75 4.043 -8.385 -3.551 1.00 0.00 C ATOM 1054 O ASP A 75 4.705 -9.311 -3.079 1.00 0.00 O ATOM 1055 CB ASP A 75 3.794 -9.127 -5.927 1.00 0.00 C ATOM 1056 CG ASP A 75 2.300 -9.384 -5.900 1.00 0.00 C ATOM 1057 OD1 ASP A 75 1.534 -8.474 -6.282 1.00 0.00 O ATOM 1058 OD2 ASP A 75 1.897 -10.496 -5.499 1.00 0.00 O ATOM 0 H ASP A 75 6.009 -8.055 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 75 3.555 -7.118 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.103 -8.903 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.321 -10.032 -5.625 1.00 0.00 H new ATOM 1063 N LEU A 76 3.161 -7.692 -2.839 1.00 0.00 N ATOM 1064 CA LEU A 76 2.913 -7.984 -1.432 1.00 0.00 C ATOM 1065 C LEU A 76 1.566 -8.676 -1.248 1.00 0.00 C ATOM 1066 O LEU A 76 1.304 -9.281 -0.208 1.00 0.00 O ATOM 1067 CB LEU A 76 2.955 -6.696 -0.608 1.00 0.00 C ATOM 1068 CG LEU A 76 4.185 -5.811 -0.808 1.00 0.00 C ATOM 1069 CD1 LEU A 76 4.104 -4.576 0.077 1.00 0.00 C ATOM 1070 CD2 LEU A 76 5.458 -6.593 -0.519 1.00 0.00 C ATOM 0 H LEU A 76 2.605 -6.923 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 76 3.696 -8.657 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.068 -6.109 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.891 -6.961 0.447 1.00 0.00 H new ATOM 0 HG LEU A 76 4.210 -5.487 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.988 -3.958 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.212 -4.004 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.054 -4.880 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.323 -5.947 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.441 -6.947 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.522 -7.446 -1.195 1.00 0.00 H new ATOM 1082 N ARG A 77 0.717 -8.584 -2.266 1.00 0.00 N ATOM 1083 CA ARG A 77 -0.603 -9.202 -2.217 1.00 0.00 C ATOM 1084 C ARG A 77 -0.519 -10.621 -1.662 1.00 0.00 C ATOM 1085 O ARG A 77 -1.455 -11.107 -1.029 1.00 0.00 O ATOM 1086 CB ARG A 77 -1.231 -9.225 -3.612 1.00 0.00 C ATOM 1087 CG ARG A 77 -1.668 -7.856 -4.106 1.00 0.00 C ATOM 1088 CD ARG A 77 -2.088 -7.898 -5.567 1.00 0.00 C ATOM 1089 NE ARG A 77 -3.442 -8.421 -5.732 1.00 0.00 N ATOM 1090 CZ ARG A 77 -3.726 -9.717 -5.797 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -2.757 -10.617 -5.711 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -4.983 -10.114 -5.949 1.00 0.00 N ATOM 0 H ARG A 77 0.919 -8.088 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.230 -8.607 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.513 -9.644 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.094 -9.891 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.498 -7.497 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.851 -7.145 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.033 -6.895 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.389 -8.518 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.211 -7.755 -5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.790 -10.315 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.979 -11.611 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.731 -9.424 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.201 -11.109 -5.999 1.00 0.00 H new ATOM 1106 N ASN A 78 0.609 -11.280 -1.906 1.00 0.00 N ATOM 1107 CA ASN A 78 0.815 -12.644 -1.432 1.00 0.00 C ATOM 1108 C ASN A 78 2.156 -12.774 -0.716 1.00 0.00 C ATOM 1109 O ASN A 78 2.862 -13.770 -0.875 1.00 0.00 O ATOM 1110 CB ASN A 78 0.750 -13.628 -2.601 1.00 0.00 C ATOM 1111 CG ASN A 78 -0.640 -13.724 -3.200 1.00 0.00 C ATOM 1112 OD1 ASN A 78 -1.614 -13.252 -2.614 1.00 0.00 O ATOM 1113 ND2 ASN A 78 -0.737 -14.338 -4.374 1.00 0.00 N ATOM 0 H ASN A 78 1.394 -10.892 -2.429 1.00 0.00 H new ATOM 0 HA ASN A 78 0.021 -12.880 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.455 -13.318 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.065 -14.614 -2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.646 -14.433 -4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.098 -14.714 -4.823 1.00 0.00 H new ATOM 1120 N SER A 79 2.501 -11.762 0.072 1.00 0.00 N ATOM 1121 CA SER A 79 3.758 -11.761 0.810 1.00 0.00 C ATOM 1122 C SER A 79 3.510 -11.917 2.308 1.00 0.00 C ATOM 1123 O SER A 79 2.473 -11.499 2.823 1.00 0.00 O ATOM 1124 CB SER A 79 4.531 -10.468 0.542 1.00 0.00 C ATOM 1125 OG SER A 79 5.075 -10.461 -0.766 1.00 0.00 O ATOM 0 H SER A 79 1.927 -10.931 0.216 1.00 0.00 H new ATOM 0 HA SER A 79 4.351 -12.609 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.868 -9.612 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.332 -10.362 1.273 1.00 0.00 H new ATOM 0 HG SER A 79 5.691 -9.705 -0.860 1.00 0.00 H new ATOM 1131 N SER A 80 4.469 -12.523 3.000 1.00 0.00 N ATOM 1132 CA SER A 80 4.354 -12.739 4.438 1.00 0.00 C ATOM 1133 C SER A 80 4.490 -11.423 5.197 1.00 0.00 C ATOM 1134 O SER A 80 5.300 -10.567 4.840 1.00 0.00 O ATOM 1135 CB SER A 80 5.420 -13.728 4.913 1.00 0.00 C ATOM 1136 OG SER A 80 5.028 -14.360 6.119 1.00 0.00 O ATOM 0 H SER A 80 5.334 -12.873 2.589 1.00 0.00 H new ATOM 0 HA SER A 80 3.367 -13.155 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.591 -14.481 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.365 -13.205 5.063 1.00 0.00 H new ATOM 0 HG SER A 80 5.725 -14.988 6.401 1.00 0.00 H new ATOM 1142 N HIS A 81 3.690 -11.268 6.248 1.00 0.00 N ATOM 1143 CA HIS A 81 3.720 -10.057 7.059 1.00 0.00 C ATOM 1144 C HIS A 81 5.138 -9.500 7.152 1.00 0.00 C ATOM 1145 O HIS A 81 5.345 -8.289 7.077 1.00 0.00 O ATOM 1146 CB HIS A 81 3.179 -10.343 8.461 1.00 0.00 C ATOM 1147 CG HIS A 81 3.321 -9.188 9.405 1.00 0.00 C ATOM 1148 ND1 HIS A 81 2.622 -8.009 9.261 1.00 0.00 N ATOM 1149 CD2 HIS A 81 4.086 -9.038 10.511 1.00 0.00 C ATOM 1150 CE1 HIS A 81 2.952 -7.182 10.237 1.00 0.00 C ATOM 1151 NE2 HIS A 81 3.839 -7.783 11.010 1.00 0.00 N ATOM 0 H HIS A 81 3.014 -11.966 6.557 1.00 0.00 H new ATOM 0 HA HIS A 81 3.086 -9.312 6.578 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.126 -10.614 8.387 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.702 -11.206 8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.765 -9.769 10.924 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.563 -6.185 10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.270 -7.380 11.842 1.00 0.00 H new ATOM 1160 N GLU A 82 6.109 -10.392 7.317 1.00 0.00 N ATOM 1161 CA GLU A 82 7.507 -9.989 7.421 1.00 0.00 C ATOM 1162 C GLU A 82 8.064 -9.598 6.055 1.00 0.00 C ATOM 1163 O GLU A 82 8.695 -8.552 5.908 1.00 0.00 O ATOM 1164 CB GLU A 82 8.344 -11.120 8.022 1.00 0.00 C ATOM 1165 CG GLU A 82 7.886 -11.548 9.406 1.00 0.00 C ATOM 1166 CD GLU A 82 8.614 -12.780 9.907 1.00 0.00 C ATOM 1167 OE1 GLU A 82 9.740 -12.632 10.428 1.00 0.00 O ATOM 1168 OE2 GLU A 82 8.060 -13.891 9.777 1.00 0.00 O ATOM 0 H GLU A 82 5.954 -11.398 7.382 1.00 0.00 H new ATOM 0 HA GLU A 82 7.560 -9.120 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.308 -11.981 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.385 -10.801 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.043 -10.728 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.815 -11.747 9.384 1.00 0.00 H new ATOM 1175 N GLU A 83 7.826 -10.448 5.061 1.00 0.00 N ATOM 1176 CA GLU A 83 8.306 -10.193 3.708 1.00 0.00 C ATOM 1177 C GLU A 83 8.023 -8.752 3.293 1.00 0.00 C ATOM 1178 O GLU A 83 8.878 -8.080 2.718 1.00 0.00 O ATOM 1179 CB GLU A 83 7.649 -11.158 2.719 1.00 0.00 C ATOM 1180 CG GLU A 83 8.389 -12.477 2.573 1.00 0.00 C ATOM 1181 CD GLU A 83 9.806 -12.297 2.064 1.00 0.00 C ATOM 1182 OE1 GLU A 83 10.009 -11.460 1.159 1.00 0.00 O ATOM 1183 OE2 GLU A 83 10.712 -12.992 2.570 1.00 0.00 O ATOM 0 H GLU A 83 7.304 -11.318 5.167 1.00 0.00 H new ATOM 0 HA GLU A 83 9.384 -10.351 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.628 -11.358 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.585 -10.677 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.415 -12.984 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.840 -13.123 1.888 1.00 0.00 H new ATOM 1190 N ALA A 84 6.815 -8.284 3.590 1.00 0.00 N ATOM 1191 CA ALA A 84 6.418 -6.923 3.250 1.00 0.00 C ATOM 1192 C ALA A 84 7.266 -5.900 3.998 1.00 0.00 C ATOM 1193 O ALA A 84 7.502 -4.796 3.507 1.00 0.00 O ATOM 1194 CB ALA A 84 4.942 -6.711 3.554 1.00 0.00 C ATOM 0 H ALA A 84 6.094 -8.827 4.065 1.00 0.00 H new ATOM 0 HA ALA A 84 6.582 -6.780 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.660 -5.690 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.346 -7.412 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.761 -6.879 4.616 1.00 0.00 H new ATOM 1200 N ILE A 85 7.722 -6.275 5.189 1.00 0.00 N ATOM 1201 CA ILE A 85 8.544 -5.390 6.005 1.00 0.00 C ATOM 1202 C ILE A 85 9.922 -5.191 5.382 1.00 0.00 C ATOM 1203 O ILE A 85 10.350 -4.062 5.141 1.00 0.00 O ATOM 1204 CB ILE A 85 8.713 -5.937 7.434 1.00 0.00 C ATOM 1205 CG1 ILE A 85 7.346 -6.156 8.085 1.00 0.00 C ATOM 1206 CG2 ILE A 85 9.557 -4.985 8.269 1.00 0.00 C ATOM 1207 CD1 ILE A 85 6.741 -4.894 8.660 1.00 0.00 C ATOM 0 H ILE A 85 7.536 -7.185 5.610 1.00 0.00 H new ATOM 0 HA ILE A 85 8.027 -4.432 6.051 1.00 0.00 H new ATOM 0 HB ILE A 85 9.227 -6.897 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.663 -6.572 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.445 -6.896 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.668 -5.385 9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.541 -4.875 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.068 -4.012 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.773 -5.125 9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.404 -4.488 9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.609 -4.159 7.866 1.00 0.00 H new ATOM 1219 N THR A 86 10.613 -6.297 5.121 1.00 0.00 N ATOM 1220 CA THR A 86 11.942 -6.245 4.526 1.00 0.00 C ATOM 1221 C THR A 86 11.921 -5.493 3.200 1.00 0.00 C ATOM 1222 O THR A 86 12.876 -4.796 2.856 1.00 0.00 O ATOM 1223 CB THR A 86 12.508 -7.658 4.293 1.00 0.00 C ATOM 1224 OG1 THR A 86 12.572 -8.371 5.533 1.00 0.00 O ATOM 1225 CG2 THR A 86 13.894 -7.590 3.669 1.00 0.00 C ATOM 0 H THR A 86 10.273 -7.240 5.313 1.00 0.00 H new ATOM 0 HA THR A 86 12.584 -5.716 5.230 1.00 0.00 H new ATOM 0 HB THR A 86 11.843 -8.183 3.607 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.931 -9.269 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.273 -8.600 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.837 -7.073 2.711 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.566 -7.048 4.334 1.00 0.00 H new ATOM 1233 N ALA A 87 10.828 -5.638 2.460 1.00 0.00 N ATOM 1234 CA ALA A 87 10.682 -4.970 1.172 1.00 0.00 C ATOM 1235 C ALA A 87 10.654 -3.455 1.340 1.00 0.00 C ATOM 1236 O ALA A 87 10.876 -2.709 0.385 1.00 0.00 O ATOM 1237 CB ALA A 87 9.421 -5.449 0.468 1.00 0.00 C ATOM 0 H ALA A 87 10.029 -6.212 2.730 1.00 0.00 H new ATOM 0 HA ALA A 87 11.546 -5.225 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.325 -4.942 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.482 -6.525 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.552 -5.224 1.086 1.00 0.00 H new ATOM 1243 N LEU A 88 10.378 -3.005 2.559 1.00 0.00 N ATOM 1244 CA LEU A 88 10.319 -1.577 2.853 1.00 0.00 C ATOM 1245 C LEU A 88 11.678 -1.060 3.315 1.00 0.00 C ATOM 1246 O LEU A 88 11.923 0.147 3.324 1.00 0.00 O ATOM 1247 CB LEU A 88 9.263 -1.299 3.925 1.00 0.00 C ATOM 1248 CG LEU A 88 7.833 -1.099 3.422 1.00 0.00 C ATOM 1249 CD1 LEU A 88 6.830 -1.528 4.482 1.00 0.00 C ATOM 1250 CD2 LEU A 88 7.605 0.352 3.026 1.00 0.00 C ATOM 0 H LEU A 88 10.191 -3.608 3.360 1.00 0.00 H new ATOM 0 HA LEU A 88 10.044 -1.054 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.265 -2.128 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.561 -0.408 4.477 1.00 0.00 H new ATOM 0 HG LEU A 88 7.688 -1.722 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.818 -1.379 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.978 -2.582 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.975 -0.931 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.582 0.476 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.769 0.995 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.300 0.626 2.233 1.00 0.00 H new ATOM 1262 N ARG A 89 12.557 -1.980 3.696 1.00 0.00 N ATOM 1263 CA ARG A 89 13.891 -1.617 4.158 1.00 0.00 C ATOM 1264 C ARG A 89 14.913 -1.756 3.033 1.00 0.00 C ATOM 1265 O ARG A 89 15.945 -1.086 3.034 1.00 0.00 O ATOM 1266 CB ARG A 89 14.300 -2.495 5.343 1.00 0.00 C ATOM 1267 CG ARG A 89 13.290 -2.493 6.478 1.00 0.00 C ATOM 1268 CD ARG A 89 13.512 -3.664 7.423 1.00 0.00 C ATOM 1269 NE ARG A 89 14.790 -3.568 8.122 1.00 0.00 N ATOM 1270 CZ ARG A 89 15.090 -4.275 9.206 1.00 0.00 C ATOM 1271 NH1 ARG A 89 14.207 -5.126 9.712 1.00 0.00 N ATOM 1272 NH2 ARG A 89 16.275 -4.133 9.786 1.00 0.00 N ATOM 0 H ARG A 89 12.370 -2.983 3.694 1.00 0.00 H new ATOM 0 HA ARG A 89 13.866 -0.575 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.441 -3.518 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.262 -2.152 5.723 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.366 -1.557 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.281 -2.540 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.702 -3.700 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.476 -4.596 6.860 1.00 0.00 H new ATOM 0 HE ARG A 89 15.491 -2.923 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.295 -5.239 9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.440 -5.668 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.957 -3.480 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.504 -4.677 10.618 1.00 0.00 H new ATOM 1286 N GLN A 90 14.617 -2.630 2.076 1.00 0.00 N ATOM 1287 CA GLN A 90 15.510 -2.856 0.946 1.00 0.00 C ATOM 1288 C GLN A 90 15.224 -1.869 -0.181 1.00 0.00 C ATOM 1289 O GLN A 90 15.695 -2.040 -1.306 1.00 0.00 O ATOM 1290 CB GLN A 90 15.364 -4.290 0.433 1.00 0.00 C ATOM 1291 CG GLN A 90 15.795 -5.344 1.440 1.00 0.00 C ATOM 1292 CD GLN A 90 15.709 -6.752 0.885 1.00 0.00 C ATOM 1293 OE1 GLN A 90 14.939 -7.022 -0.037 1.00 0.00 O ATOM 1294 NE2 GLN A 90 16.502 -7.658 1.445 1.00 0.00 N ATOM 0 H GLN A 90 13.766 -3.193 2.061 1.00 0.00 H new ATOM 0 HA GLN A 90 16.533 -2.702 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 90 14.323 -4.465 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.956 -4.404 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.819 -5.143 1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.169 -5.269 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.125 -7.390 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.489 -8.622 1.113 1.00 0.00 H new ATOM 1303 N THR A 91 14.450 -0.834 0.128 1.00 0.00 N ATOM 1304 CA THR A 91 14.100 0.181 -0.858 1.00 0.00 C ATOM 1305 C THR A 91 15.157 1.277 -0.918 1.00 0.00 C ATOM 1306 O THR A 91 15.718 1.689 0.098 1.00 0.00 O ATOM 1307 CB THR A 91 12.732 0.818 -0.547 1.00 0.00 C ATOM 1308 OG1 THR A 91 12.755 1.416 0.754 1.00 0.00 O ATOM 1309 CG2 THR A 91 11.623 -0.221 -0.614 1.00 0.00 C ATOM 0 H THR A 91 14.053 -0.676 1.054 1.00 0.00 H new ATOM 0 HA THR A 91 14.047 -0.321 -1.824 1.00 0.00 H new ATOM 0 HB THR A 91 12.534 1.585 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.411 0.778 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.667 0.252 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.589 -0.653 -1.614 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.817 -1.008 0.115 1.00 0.00 H new ATOM 1317 N PRO A 92 15.437 1.764 -2.136 1.00 0.00 N ATOM 1318 CA PRO A 92 16.429 2.821 -2.357 1.00 0.00 C ATOM 1319 C PRO A 92 15.968 4.170 -1.816 1.00 0.00 C ATOM 1320 O PRO A 92 15.011 4.246 -1.046 1.00 0.00 O ATOM 1321 CB PRO A 92 16.559 2.872 -3.881 1.00 0.00 C ATOM 1322 CG PRO A 92 15.260 2.349 -4.390 1.00 0.00 C ATOM 1323 CD PRO A 92 14.808 1.321 -3.391 1.00 0.00 C ATOM 0 HA PRO A 92 17.367 2.614 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.740 3.889 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.394 2.263 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.527 3.150 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.378 1.907 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.722 1.293 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.133 0.319 -3.671 1.00 0.00 H new ATOM 1331 N GLN A 93 16.654 5.232 -2.225 1.00 0.00 N ATOM 1332 CA GLN A 93 16.314 6.579 -1.781 1.00 0.00 C ATOM 1333 C GLN A 93 14.839 6.877 -2.027 1.00 0.00 C ATOM 1334 O GLN A 93 14.219 7.646 -1.292 1.00 0.00 O ATOM 1335 CB GLN A 93 17.183 7.611 -2.501 1.00 0.00 C ATOM 1336 CG GLN A 93 17.252 8.952 -1.788 1.00 0.00 C ATOM 1337 CD GLN A 93 18.341 8.998 -0.735 1.00 0.00 C ATOM 1338 OE1 GLN A 93 18.863 7.963 -0.319 1.00 0.00 O ATOM 1339 NE2 GLN A 93 18.691 10.201 -0.297 1.00 0.00 N ATOM 0 H GLN A 93 17.449 5.186 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 93 16.504 6.640 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 93 18.192 7.213 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.793 7.764 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.427 9.740 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.290 9.160 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 93 18.232 11.033 -0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 93 19.419 10.294 0.412 1.00 0.00 H new ATOM 1348 N LYS A 94 14.283 6.265 -3.067 1.00 0.00 N ATOM 1349 CA LYS A 94 12.880 6.463 -3.411 1.00 0.00 C ATOM 1350 C LYS A 94 12.068 5.201 -3.137 1.00 0.00 C ATOM 1351 O LYS A 94 12.518 4.090 -3.415 1.00 0.00 O ATOM 1352 CB LYS A 94 12.746 6.859 -4.883 1.00 0.00 C ATOM 1353 CG LYS A 94 13.745 7.915 -5.323 1.00 0.00 C ATOM 1354 CD LYS A 94 15.023 7.286 -5.854 1.00 0.00 C ATOM 1355 CE LYS A 94 14.941 7.038 -7.352 1.00 0.00 C ATOM 1356 NZ LYS A 94 16.246 6.588 -7.912 1.00 0.00 N ATOM 0 H LYS A 94 14.783 5.627 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 94 12.489 7.267 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.873 5.971 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.736 7.230 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.298 8.541 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.981 8.567 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.868 7.939 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.208 6.344 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.180 6.284 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.626 7.952 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.149 6.430 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.967 7.318 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.535 5.702 -7.451 1.00 0.00 H new ATOM 1370 N VAL A 95 10.870 5.381 -2.590 1.00 0.00 N ATOM 1371 CA VAL A 95 9.995 4.257 -2.281 1.00 0.00 C ATOM 1372 C VAL A 95 8.644 4.405 -2.972 1.00 0.00 C ATOM 1373 O VAL A 95 7.786 5.166 -2.523 1.00 0.00 O ATOM 1374 CB VAL A 95 9.770 4.121 -0.763 1.00 0.00 C ATOM 1375 CG1 VAL A 95 9.008 2.843 -0.448 1.00 0.00 C ATOM 1376 CG2 VAL A 95 11.099 4.154 -0.024 1.00 0.00 C ATOM 0 H VAL A 95 10.484 6.294 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 95 10.492 3.360 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 95 9.170 4.966 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.859 2.764 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.040 2.864 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.579 1.983 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.922 4.057 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.725 3.330 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.603 5.099 -0.224 1.00 0.00 H new ATOM 1386 N ARG A 96 8.461 3.674 -4.066 1.00 0.00 N ATOM 1387 CA ARG A 96 7.215 3.725 -4.820 1.00 0.00 C ATOM 1388 C ARG A 96 6.301 2.564 -4.439 1.00 0.00 C ATOM 1389 O ARG A 96 6.735 1.413 -4.372 1.00 0.00 O ATOM 1390 CB ARG A 96 7.501 3.690 -6.323 1.00 0.00 C ATOM 1391 CG ARG A 96 6.350 3.138 -7.149 1.00 0.00 C ATOM 1392 CD ARG A 96 6.775 2.869 -8.584 1.00 0.00 C ATOM 1393 NE ARG A 96 8.197 2.554 -8.685 1.00 0.00 N ATOM 1394 CZ ARG A 96 9.152 3.477 -8.741 1.00 0.00 C ATOM 1395 NH1 ARG A 96 8.837 4.764 -8.707 1.00 0.00 N ATOM 1396 NH2 ARG A 96 10.424 3.112 -8.832 1.00 0.00 N ATOM 0 H ARG A 96 9.161 3.039 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 96 6.710 4.659 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.731 4.699 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.389 3.083 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.986 2.215 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.521 3.846 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.191 2.041 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.553 3.742 -9.197 1.00 0.00 H new ATOM 0 HE ARG A 96 8.473 1.572 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.860 5.048 -8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.572 5.470 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.670 2.122 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.156 3.821 -8.875 1.00 0.00 H new ATOM 1410 N LEU A 97 5.033 2.873 -4.189 1.00 0.00 N ATOM 1411 CA LEU A 97 4.057 1.856 -3.813 1.00 0.00 C ATOM 1412 C LEU A 97 2.725 2.093 -4.519 1.00 0.00 C ATOM 1413 O LEU A 97 2.429 3.207 -4.951 1.00 0.00 O ATOM 1414 CB LEU A 97 3.851 1.855 -2.298 1.00 0.00 C ATOM 1415 CG LEU A 97 5.070 2.229 -1.454 1.00 0.00 C ATOM 1416 CD1 LEU A 97 5.165 3.739 -1.295 1.00 0.00 C ATOM 1417 CD2 LEU A 97 5.005 1.551 -0.093 1.00 0.00 C ATOM 0 H LEU A 97 4.657 3.820 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 97 4.443 0.885 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.044 2.548 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.517 0.862 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 97 5.965 1.881 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.038 3.987 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.259 4.203 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.266 4.110 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.881 1.829 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.102 1.869 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.985 0.469 -0.226 1.00 0.00 H new ATOM 1429 N VAL A 98 1.925 1.037 -4.630 1.00 0.00 N ATOM 1430 CA VAL A 98 0.623 1.130 -5.279 1.00 0.00 C ATOM 1431 C VAL A 98 -0.507 0.912 -4.280 1.00 0.00 C ATOM 1432 O VAL A 98 -0.705 -0.196 -3.782 1.00 0.00 O ATOM 1433 CB VAL A 98 0.490 0.103 -6.420 1.00 0.00 C ATOM 1434 CG1 VAL A 98 -0.858 0.244 -7.111 1.00 0.00 C ATOM 1435 CG2 VAL A 98 1.629 0.264 -7.416 1.00 0.00 C ATOM 0 H VAL A 98 2.156 0.108 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 98 0.548 2.135 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 98 0.549 -0.898 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.934 -0.489 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.657 0.075 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.951 1.248 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.520 -0.469 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.603 1.268 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.581 0.108 -6.908 1.00 0.00 H new ATOM 1445 N VAL A 99 -1.247 1.978 -3.989 1.00 0.00 N ATOM 1446 CA VAL A 99 -2.359 1.903 -3.050 1.00 0.00 C ATOM 1447 C VAL A 99 -3.696 1.877 -3.782 1.00 0.00 C ATOM 1448 O VAL A 99 -3.793 2.296 -4.936 1.00 0.00 O ATOM 1449 CB VAL A 99 -2.347 3.091 -2.069 1.00 0.00 C ATOM 1450 CG1 VAL A 99 -1.161 2.989 -1.122 1.00 0.00 C ATOM 1451 CG2 VAL A 99 -2.320 4.409 -2.830 1.00 0.00 C ATOM 0 H VAL A 99 -1.096 2.903 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.237 0.977 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.260 3.059 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.169 3.836 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.228 2.062 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.235 2.996 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.312 5.238 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.425 4.453 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.204 4.482 -3.463 1.00 0.00 H new ATOM 1461 N TYR A 100 -4.726 1.382 -3.104 1.00 0.00 N ATOM 1462 CA TYR A 100 -6.058 1.299 -3.691 1.00 0.00 C ATOM 1463 C TYR A 100 -7.130 1.627 -2.656 1.00 0.00 C ATOM 1464 O TYR A 100 -7.362 0.860 -1.721 1.00 0.00 O ATOM 1465 CB TYR A 100 -6.299 -0.098 -4.265 1.00 0.00 C ATOM 1466 CG TYR A 100 -7.724 -0.330 -4.714 1.00 0.00 C ATOM 1467 CD1 TYR A 100 -8.304 0.469 -5.691 1.00 0.00 C ATOM 1468 CD2 TYR A 100 -8.490 -1.349 -4.161 1.00 0.00 C ATOM 1469 CE1 TYR A 100 -9.606 0.261 -6.104 1.00 0.00 C ATOM 1470 CE2 TYR A 100 -9.792 -1.565 -4.569 1.00 0.00 C ATOM 1471 CZ TYR A 100 -10.346 -0.757 -5.541 1.00 0.00 C ATOM 1472 OH TYR A 100 -11.643 -0.969 -5.949 1.00 0.00 O ATOM 0 H TYR A 100 -4.664 1.032 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.119 2.031 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.630 -0.254 -5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.039 -0.841 -3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.727 1.267 -6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.060 -1.983 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.042 0.893 -6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.373 -2.362 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.022 -1.725 -5.454 1.00 0.00 H new ATOM 1482 N ARG A 101 -7.781 2.772 -2.831 1.00 0.00 N ATOM 1483 CA ARG A 101 -8.829 3.204 -1.914 1.00 0.00 C ATOM 1484 C ARG A 101 -10.206 3.062 -2.555 1.00 0.00 C ATOM 1485 O ARG A 101 -10.691 3.981 -3.216 1.00 0.00 O ATOM 1486 CB ARG A 101 -8.599 4.656 -1.490 1.00 0.00 C ATOM 1487 CG ARG A 101 -9.311 5.034 -0.201 1.00 0.00 C ATOM 1488 CD ARG A 101 -8.737 6.307 0.400 1.00 0.00 C ATOM 1489 NE ARG A 101 -7.305 6.191 0.663 1.00 0.00 N ATOM 1490 CZ ARG A 101 -6.519 7.229 0.924 1.00 0.00 C ATOM 1491 NH1 ARG A 101 -7.023 8.455 0.955 1.00 0.00 N ATOM 1492 NH2 ARG A 101 -5.225 7.042 1.154 1.00 0.00 N ATOM 0 H ARG A 101 -7.601 3.418 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.791 2.565 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.529 4.825 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.936 5.317 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.374 5.171 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.222 4.219 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.914 7.141 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.259 6.537 1.329 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.886 5.261 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.017 8.603 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.417 9.251 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.834 6.100 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.622 7.840 1.354 1.00 0.00 H new ATOM 1506 N ASP A 102 -10.830 1.906 -2.357 1.00 0.00 N ATOM 1507 CA ASP A 102 -12.151 1.644 -2.915 1.00 0.00 C ATOM 1508 C ASP A 102 -13.172 2.647 -2.388 1.00 0.00 C ATOM 1509 O ASP A 102 -13.121 3.045 -1.224 1.00 0.00 O ATOM 1510 CB ASP A 102 -12.596 0.220 -2.580 1.00 0.00 C ATOM 1511 CG ASP A 102 -12.787 0.008 -1.091 1.00 0.00 C ATOM 1512 OD1 ASP A 102 -13.906 0.257 -0.596 1.00 0.00 O ATOM 1513 OD2 ASP A 102 -11.818 -0.406 -0.422 1.00 0.00 O ATOM 0 H ASP A 102 -10.442 1.135 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.089 1.751 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.530 0.003 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.854 -0.486 -2.952 1.00 0.00 H new ATOM 1518 N GLU A 103 -14.098 3.051 -3.252 1.00 0.00 N ATOM 1519 CA GLU A 103 -15.130 4.009 -2.872 1.00 0.00 C ATOM 1520 C GLU A 103 -16.440 3.297 -2.546 1.00 0.00 C ATOM 1521 O GLU A 103 -17.513 3.898 -2.589 1.00 0.00 O ATOM 1522 CB GLU A 103 -15.355 5.023 -3.997 1.00 0.00 C ATOM 1523 CG GLU A 103 -15.803 4.392 -5.304 1.00 0.00 C ATOM 1524 CD GLU A 103 -17.308 4.220 -5.383 1.00 0.00 C ATOM 1525 OE1 GLU A 103 -18.021 5.243 -5.425 1.00 0.00 O ATOM 1526 OE2 GLU A 103 -17.771 3.060 -5.402 1.00 0.00 O ATOM 0 H GLU A 103 -14.155 2.730 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.790 4.535 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.104 5.747 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.431 5.575 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.468 5.011 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.323 3.420 -5.417 1.00 0.00 H new