USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 61 GLN :FLIP amide:sc= 0.112 F(o=-0.4,f=0.35) USER MOD Set 1.2: A 63 TYR OH : rot -109:sc= 0.237 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= 0.0858 X(o=0.086,f=-0.29) USER MOD Set 3.1: A 25 GLN : amide:sc= -2.66 K(o=-2,f=-11!) USER MOD Set 3.2: A 43 THR OG1 : rot -54:sc= 0.614 USER MOD Single : A 27 THR OG1 : rot 100:sc= -0.444 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.064) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 46 MET CE :methyl 142:sc= -4.55! (180deg=-7.63!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.27 X(o=-2.3,f=-2.3) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.956 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.13) USER MOD Single : A 67 GLN : amide:sc= -4.3 K(o=-4.3,f=-4.9!) USER MOD Single : A 68 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.83) USER MOD Single : A 69 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-4.5!) USER MOD Single : A 72 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-2.1) USER MOD Single : A 73 CYS SG : rot -130:sc= -3.33! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0114 F(o=-0.58,f=-0.011) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0.023) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.815 USER MOD Single : A 98 MET CE :methyl -112:sc= -8.08! (180deg=-14.9!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -7.948 8.318 -1.098 1.00 1.00 N ATOM 157 CA LEU A 23 -6.541 8.373 -0.716 1.00 1.00 C ATOM 158 C LEU A 23 -6.292 7.710 0.638 1.00 1.00 C ATOM 159 O LEU A 23 -6.989 7.976 1.625 1.00 1.00 O ATOM 160 CB LEU A 23 -6.040 9.820 -0.673 1.00 1.00 C ATOM 161 CG LEU A 23 -6.515 10.718 -1.818 1.00 1.00 C ATOM 162 CD1 LEU A 23 -6.741 12.137 -1.319 1.00 1.00 C ATOM 163 CD2 LEU A 23 -5.506 10.708 -2.958 1.00 1.00 C ATOM 0 HA LEU A 23 -5.988 7.822 -1.476 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -6.355 10.267 0.270 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -4.950 9.808 -0.672 1.00 1.00 H new ATOM 0 HG LEU A 23 -7.461 10.328 -2.194 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -7.078 12.764 -2.145 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -7.498 12.131 -0.535 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -5.808 12.535 -0.919 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -5.860 11.352 -3.763 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.545 11.074 -2.597 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -5.389 9.691 -3.332 1.00 1.00 H new ATOM 175 N VAL A 24 -5.267 6.865 0.675 1.00 1.00 N ATOM 176 CA VAL A 24 -4.876 6.175 1.896 1.00 1.00 C ATOM 177 C VAL A 24 -3.480 6.636 2.312 1.00 1.00 C ATOM 178 O VAL A 24 -2.727 7.151 1.485 1.00 1.00 O ATOM 179 CB VAL A 24 -4.893 4.638 1.730 1.00 1.00 C ATOM 180 CG1 VAL A 24 -6.275 4.088 2.050 1.00 1.00 C ATOM 181 CG2 VAL A 24 -4.465 4.229 0.324 1.00 1.00 C ATOM 0 H VAL A 24 -4.689 6.641 -0.135 1.00 1.00 H new ATOM 0 HA VAL A 24 -5.603 6.426 2.668 1.00 1.00 H new ATOM 0 HB VAL A 24 -4.176 4.214 2.433 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -6.272 3.005 1.929 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -6.537 4.338 3.078 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -7.007 4.527 1.372 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -4.487 3.143 0.239 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -5.148 4.664 -0.405 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -3.454 4.587 0.133 1.00 1.00 H new ATOM 191 N GLN A 25 -3.133 6.477 3.587 1.00 1.00 N ATOM 192 CA GLN A 25 -1.826 6.914 4.067 1.00 1.00 C ATOM 193 C GLN A 25 -1.011 5.756 4.638 1.00 1.00 C ATOM 194 O GLN A 25 -1.191 5.371 5.793 1.00 1.00 O ATOM 195 CB GLN A 25 -1.996 8.004 5.127 1.00 1.00 C ATOM 196 CG GLN A 25 -0.682 8.540 5.672 1.00 1.00 C ATOM 197 CD GLN A 25 -0.275 9.851 5.028 1.00 1.00 C ATOM 198 OE1 GLN A 25 -0.372 10.015 3.812 1.00 1.00 O ATOM 199 NE2 GLN A 25 0.183 10.794 5.843 1.00 1.00 N ATOM 0 H GLN A 25 -3.730 6.054 4.298 1.00 1.00 H new ATOM 0 HA GLN A 25 -1.279 7.314 3.213 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.564 8.829 4.698 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -2.586 7.606 5.953 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -0.770 8.681 6.749 1.00 1.00 H new ATOM 0 HG3 GLN A 25 0.103 7.801 5.510 1.00 1.00 H new ATOM 0 HE21 GLN A 25 0.247 10.615 6.845 1.00 1.00 H new ATOM 0 HE22 GLN A 25 0.471 11.697 5.467 1.00 1.00 H new ATOM 208 N PRO A 26 -0.091 5.191 3.836 1.00 1.00 N ATOM 209 CA PRO A 26 0.765 4.081 4.272 1.00 1.00 C ATOM 210 C PRO A 26 1.609 4.456 5.484 1.00 1.00 C ATOM 211 O PRO A 26 1.892 5.631 5.713 1.00 1.00 O ATOM 212 CB PRO A 26 1.675 3.829 3.063 1.00 1.00 C ATOM 213 CG PRO A 26 0.937 4.403 1.905 1.00 1.00 C ATOM 214 CD PRO A 26 0.196 5.590 2.447 1.00 1.00 C ATOM 0 HA PRO A 26 0.180 3.212 4.573 1.00 1.00 H new ATOM 0 HB2 PRO A 26 2.645 4.309 3.191 1.00 1.00 H new ATOM 0 HB3 PRO A 26 1.862 2.764 2.924 1.00 1.00 H new ATOM 0 HG2 PRO A 26 1.623 4.698 1.111 1.00 1.00 H new ATOM 0 HG3 PRO A 26 0.249 3.673 1.478 1.00 1.00 H new ATOM 0 HD2 PRO A 26 0.799 6.497 2.403 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -0.718 5.787 1.886 1.00 1.00 H new ATOM 222 N THR A 27 2.021 3.453 6.250 1.00 1.00 N ATOM 223 CA THR A 27 2.847 3.691 7.426 1.00 1.00 C ATOM 224 C THR A 27 4.180 4.308 7.013 1.00 1.00 C ATOM 225 O THR A 27 4.618 4.144 5.875 1.00 1.00 O ATOM 226 CB THR A 27 3.085 2.385 8.185 1.00 1.00 C ATOM 227 OG1 THR A 27 3.543 1.372 7.308 1.00 1.00 O ATOM 228 CG2 THR A 27 1.848 1.864 8.883 1.00 1.00 C ATOM 0 H THR A 27 1.798 2.473 6.079 1.00 1.00 H new ATOM 0 HA THR A 27 2.324 4.385 8.084 1.00 1.00 H new ATOM 0 HB THR A 27 3.835 2.622 8.940 1.00 1.00 H new ATOM 0 HG1 THR A 27 4.516 1.286 7.387 1.00 1.00 H new ATOM 0 HG21 THR A 27 2.087 0.936 9.402 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.499 2.603 9.604 1.00 1.00 H new ATOM 0 HG23 THR A 27 1.066 1.677 8.147 1.00 1.00 H new ATOM 236 N PRO A 28 4.847 5.029 7.929 1.00 1.00 N ATOM 237 CA PRO A 28 6.134 5.666 7.640 1.00 1.00 C ATOM 238 C PRO A 28 7.088 4.729 6.904 1.00 1.00 C ATOM 239 O PRO A 28 7.926 5.171 6.117 1.00 1.00 O ATOM 240 CB PRO A 28 6.672 6.007 9.028 1.00 1.00 C ATOM 241 CG PRO A 28 5.454 6.214 9.861 1.00 1.00 C ATOM 242 CD PRO A 28 4.404 5.280 9.315 1.00 1.00 C ATOM 0 HA PRO A 28 6.031 6.532 6.986 1.00 1.00 H new ATOM 0 HB2 PRO A 28 7.290 5.201 9.423 1.00 1.00 H new ATOM 0 HB3 PRO A 28 7.293 6.902 9.004 1.00 1.00 H new ATOM 0 HG2 PRO A 28 5.659 5.998 10.910 1.00 1.00 H new ATOM 0 HG3 PRO A 28 5.118 7.250 9.808 1.00 1.00 H new ATOM 0 HD2 PRO A 28 4.350 4.357 9.892 1.00 1.00 H new ATOM 0 HD3 PRO A 28 3.412 5.732 9.343 1.00 1.00 H new ATOM 250 N LEU A 29 6.945 3.432 7.158 1.00 1.00 N ATOM 251 CA LEU A 29 7.784 2.431 6.513 1.00 1.00 C ATOM 252 C LEU A 29 7.388 2.271 5.049 1.00 1.00 C ATOM 253 O LEU A 29 8.203 2.474 4.148 1.00 1.00 O ATOM 254 CB LEU A 29 7.668 1.090 7.240 1.00 1.00 C ATOM 255 CG LEU A 29 8.551 -0.031 6.687 1.00 1.00 C ATOM 256 CD1 LEU A 29 9.987 0.446 6.526 1.00 1.00 C ATOM 257 CD2 LEU A 29 8.492 -1.249 7.595 1.00 1.00 C ATOM 0 H LEU A 29 6.256 3.051 7.806 1.00 1.00 H new ATOM 0 HA LEU A 29 8.820 2.766 6.561 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.917 1.242 8.290 1.00 1.00 H new ATOM 0 HB3 LEU A 29 6.629 0.764 7.203 1.00 1.00 H new ATOM 0 HG LEU A 29 8.173 -0.313 5.704 1.00 1.00 H new ATOM 0 HD11 LEU A 29 10.598 -0.366 6.132 1.00 1.00 H new ATOM 0 HD12 LEU A 29 10.015 1.289 5.836 1.00 1.00 H new ATOM 0 HD13 LEU A 29 10.378 0.757 7.495 1.00 1.00 H new ATOM 0 HD21 LEU A 29 9.125 -2.037 7.188 1.00 1.00 H new ATOM 0 HD22 LEU A 29 8.844 -0.978 8.590 1.00 1.00 H new ATOM 0 HD23 LEU A 29 7.464 -1.606 7.659 1.00 1.00 H new ATOM 269 N LEU A 30 6.125 1.922 4.817 1.00 1.00 N ATOM 270 CA LEU A 30 5.617 1.753 3.461 1.00 1.00 C ATOM 271 C LEU A 30 5.827 3.035 2.662 1.00 1.00 C ATOM 272 O LEU A 30 6.173 2.999 1.481 1.00 1.00 O ATOM 273 CB LEU A 30 4.130 1.387 3.490 1.00 1.00 C ATOM 274 CG LEU A 30 3.561 0.862 2.170 1.00 1.00 C ATOM 275 CD1 LEU A 30 4.453 -0.229 1.595 1.00 1.00 C ATOM 276 CD2 LEU A 30 2.145 0.343 2.372 1.00 1.00 C ATOM 0 H LEU A 30 5.437 1.751 5.550 1.00 1.00 H new ATOM 0 HA LEU A 30 6.165 0.942 2.981 1.00 1.00 H new ATOM 0 HB2 LEU A 30 3.973 0.632 4.260 1.00 1.00 H new ATOM 0 HB3 LEU A 30 3.561 2.268 3.787 1.00 1.00 H new ATOM 0 HG LEU A 30 3.530 1.686 1.458 1.00 1.00 H new ATOM 0 HD11 LEU A 30 4.030 -0.588 0.657 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.449 0.174 1.413 1.00 1.00 H new ATOM 0 HD13 LEU A 30 4.519 -1.055 2.303 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.754 -0.027 1.424 1.00 1.00 H new ATOM 0 HD22 LEU A 30 2.155 -0.467 3.101 1.00 1.00 H new ATOM 0 HD23 LEU A 30 1.510 1.151 2.736 1.00 1.00 H new ATOM 288 N LEU A 31 5.623 4.168 3.329 1.00 1.00 N ATOM 289 CA LEU A 31 5.794 5.479 2.709 1.00 1.00 C ATOM 290 C LEU A 31 7.111 5.557 1.936 1.00 1.00 C ATOM 291 O LEU A 31 7.118 5.737 0.719 1.00 1.00 O ATOM 292 CB LEU A 31 5.756 6.572 3.782 1.00 1.00 C ATOM 293 CG LEU A 31 4.540 7.498 3.725 1.00 1.00 C ATOM 294 CD1 LEU A 31 4.628 8.559 4.812 1.00 1.00 C ATOM 295 CD2 LEU A 31 4.428 8.145 2.352 1.00 1.00 C ATOM 0 H LEU A 31 5.337 4.204 4.307 1.00 1.00 H new ATOM 0 HA LEU A 31 4.976 5.631 2.005 1.00 1.00 H new ATOM 0 HB2 LEU A 31 5.786 6.097 4.763 1.00 1.00 H new ATOM 0 HB3 LEU A 31 6.658 7.177 3.694 1.00 1.00 H new ATOM 0 HG LEU A 31 3.643 6.903 3.898 1.00 1.00 H new ATOM 0 HD11 LEU A 31 3.755 9.209 4.757 1.00 1.00 H new ATOM 0 HD12 LEU A 31 4.661 8.077 5.789 1.00 1.00 H new ATOM 0 HD13 LEU A 31 5.532 9.152 4.670 1.00 1.00 H new ATOM 0 HD21 LEU A 31 3.558 8.801 2.329 1.00 1.00 H new ATOM 0 HD22 LEU A 31 5.327 8.728 2.150 1.00 1.00 H new ATOM 0 HD23 LEU A 31 4.319 7.371 1.593 1.00 1.00 H new ATOM 307 N SER A 32 8.223 5.423 2.657 1.00 1.00 N ATOM 308 CA SER A 32 9.550 5.481 2.045 1.00 1.00 C ATOM 309 C SER A 32 9.632 4.579 0.818 1.00 1.00 C ATOM 310 O SER A 32 10.191 4.966 -0.208 1.00 1.00 O ATOM 311 CB SER A 32 10.620 5.077 3.061 1.00 1.00 C ATOM 312 OG SER A 32 11.802 5.840 2.888 1.00 1.00 O ATOM 0 H SER A 32 8.232 5.273 3.666 1.00 1.00 H new ATOM 0 HA SER A 32 9.727 6.508 1.726 1.00 1.00 H new ATOM 0 HB2 SER A 32 10.237 5.218 4.072 1.00 1.00 H new ATOM 0 HB3 SER A 32 10.848 4.017 2.951 1.00 1.00 H new ATOM 0 HG SER A 32 12.469 5.564 3.550 1.00 1.00 H new ATOM 318 N LEU A 33 9.066 3.378 0.918 1.00 1.00 N ATOM 319 CA LEU A 33 9.081 2.446 -0.207 1.00 1.00 C ATOM 320 C LEU A 33 8.489 3.118 -1.439 1.00 1.00 C ATOM 321 O LEU A 33 9.022 3.000 -2.542 1.00 1.00 O ATOM 322 CB LEU A 33 8.307 1.165 0.120 1.00 1.00 C ATOM 323 CG LEU A 33 8.398 0.693 1.575 1.00 1.00 C ATOM 324 CD1 LEU A 33 7.736 -0.667 1.736 1.00 1.00 C ATOM 325 CD2 LEU A 33 9.851 0.636 2.028 1.00 1.00 C ATOM 0 H LEU A 33 8.597 3.031 1.755 1.00 1.00 H new ATOM 0 HA LEU A 33 10.116 2.168 -0.407 1.00 1.00 H new ATOM 0 HB2 LEU A 33 7.257 1.322 -0.128 1.00 1.00 H new ATOM 0 HB3 LEU A 33 8.671 0.366 -0.526 1.00 1.00 H new ATOM 0 HG LEU A 33 7.870 1.410 2.203 1.00 1.00 H new ATOM 0 HD11 LEU A 33 7.810 -0.987 2.775 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.686 -0.597 1.452 1.00 1.00 H new ATOM 0 HD13 LEU A 33 8.237 -1.394 1.096 1.00 1.00 H new ATOM 0 HD21 LEU A 33 9.896 0.299 3.064 1.00 1.00 H new ATOM 0 HD22 LEU A 33 10.402 -0.060 1.395 1.00 1.00 H new ATOM 0 HD23 LEU A 33 10.296 1.628 1.950 1.00 1.00 H new ATOM 337 N LEU A 34 7.397 3.851 -1.234 1.00 1.00 N ATOM 338 CA LEU A 34 6.750 4.575 -2.320 1.00 1.00 C ATOM 339 C LEU A 34 7.624 5.749 -2.728 1.00 1.00 C ATOM 340 O LEU A 34 7.815 6.023 -3.912 1.00 1.00 O ATOM 341 CB LEU A 34 5.367 5.077 -1.887 1.00 1.00 C ATOM 342 CG LEU A 34 4.490 4.035 -1.192 1.00 1.00 C ATOM 343 CD1 LEU A 34 3.154 4.644 -0.796 1.00 1.00 C ATOM 344 CD2 LEU A 34 4.284 2.830 -2.097 1.00 1.00 C ATOM 0 H LEU A 34 6.944 3.958 -0.326 1.00 1.00 H new ATOM 0 HA LEU A 34 6.619 3.902 -3.167 1.00 1.00 H new ATOM 0 HB2 LEU A 34 5.499 5.925 -1.215 1.00 1.00 H new ATOM 0 HB3 LEU A 34 4.839 5.446 -2.766 1.00 1.00 H new ATOM 0 HG LEU A 34 4.996 3.702 -0.286 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.542 3.889 -0.303 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.322 5.477 -0.114 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.639 5.003 -1.687 1.00 1.00 H new ATOM 0 HD21 LEU A 34 3.658 2.096 -1.589 1.00 1.00 H new ATOM 0 HD22 LEU A 34 3.797 3.147 -3.019 1.00 1.00 H new ATOM 0 HD23 LEU A 34 5.250 2.382 -2.332 1.00 1.00 H new ATOM 356 N LYS A 35 8.164 6.431 -1.724 1.00 1.00 N ATOM 357 CA LYS A 35 9.035 7.576 -1.944 1.00 1.00 C ATOM 358 C LYS A 35 10.133 7.240 -2.949 1.00 1.00 C ATOM 359 O LYS A 35 10.438 8.032 -3.841 1.00 1.00 O ATOM 360 CB LYS A 35 9.656 8.015 -0.614 1.00 1.00 C ATOM 361 CG LYS A 35 8.650 8.579 0.378 1.00 1.00 C ATOM 362 CD LYS A 35 7.737 9.611 -0.267 1.00 1.00 C ATOM 363 CE LYS A 35 6.951 10.387 0.777 1.00 1.00 C ATOM 364 NZ LYS A 35 7.704 11.574 1.271 1.00 1.00 N ATOM 0 H LYS A 35 8.011 6.206 -0.741 1.00 1.00 H new ATOM 0 HA LYS A 35 8.439 8.392 -2.352 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.160 7.162 -0.160 1.00 1.00 H new ATOM 0 HB3 LYS A 35 10.419 8.768 -0.811 1.00 1.00 H new ATOM 0 HG2 LYS A 35 8.049 7.767 0.787 1.00 1.00 H new ATOM 0 HG3 LYS A 35 9.180 9.035 1.214 1.00 1.00 H new ATOM 0 HD2 LYS A 35 8.332 10.302 -0.864 1.00 1.00 H new ATOM 0 HD3 LYS A 35 7.047 9.113 -0.948 1.00 1.00 H new ATOM 0 HE2 LYS A 35 6.002 10.711 0.350 1.00 1.00 H new ATOM 0 HE3 LYS A 35 6.716 9.732 1.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 7.134 12.076 1.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 8.598 11.263 1.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 7.906 12.212 0.475 1.00 1.00 H new ATOM 378 N SER A 36 10.720 6.058 -2.797 1.00 1.00 N ATOM 379 CA SER A 36 11.781 5.607 -3.690 1.00 1.00 C ATOM 380 C SER A 36 11.205 4.906 -4.919 1.00 1.00 C ATOM 381 O SER A 36 11.862 4.813 -5.955 1.00 1.00 O ATOM 382 CB SER A 36 12.732 4.665 -2.947 1.00 1.00 C ATOM 383 OG SER A 36 14.077 5.096 -3.071 1.00 1.00 O ATOM 0 H SER A 36 10.478 5.393 -2.062 1.00 1.00 H new ATOM 0 HA SER A 36 12.335 6.484 -4.026 1.00 1.00 H new ATOM 0 HB2 SER A 36 12.456 4.622 -1.893 1.00 1.00 H new ATOM 0 HB3 SER A 36 12.632 3.655 -3.344 1.00 1.00 H new ATOM 0 HG SER A 36 14.664 4.479 -2.586 1.00 1.00 H new ATOM 389 N ALA A 37 9.974 4.414 -4.798 1.00 1.00 N ATOM 390 CA ALA A 37 9.315 3.722 -5.901 1.00 1.00 C ATOM 391 C ALA A 37 8.763 4.704 -6.934 1.00 1.00 C ATOM 392 O ALA A 37 8.204 4.294 -7.951 1.00 1.00 O ATOM 393 CB ALA A 37 8.197 2.833 -5.373 1.00 1.00 C ATOM 0 H ALA A 37 9.414 4.482 -3.948 1.00 1.00 H new ATOM 0 HA ALA A 37 10.063 3.103 -6.397 1.00 1.00 H new ATOM 0 HB1 ALA A 37 7.714 2.323 -6.206 1.00 1.00 H new ATOM 0 HB2 ALA A 37 8.612 2.095 -4.687 1.00 1.00 H new ATOM 0 HB3 ALA A 37 7.463 3.444 -4.847 1.00 1.00 H new ATOM 399 N GLY A 38 8.916 5.999 -6.669 1.00 1.00 N ATOM 400 CA GLY A 38 8.419 7.007 -7.587 1.00 1.00 C ATOM 401 C GLY A 38 7.251 7.783 -7.012 1.00 1.00 C ATOM 402 O GLY A 38 6.488 8.410 -7.747 1.00 1.00 O ATOM 0 H GLY A 38 9.375 6.367 -5.836 1.00 1.00 H new ATOM 0 HA2 GLY A 38 9.225 7.698 -7.835 1.00 1.00 H new ATOM 0 HA3 GLY A 38 8.112 6.528 -8.517 1.00 1.00 H new ATOM 406 N ALA A 39 7.112 7.739 -5.691 1.00 1.00 N ATOM 407 CA ALA A 39 6.034 8.439 -5.007 1.00 1.00 C ATOM 408 C ALA A 39 6.560 9.720 -4.345 1.00 1.00 C ATOM 409 O ALA A 39 7.712 9.764 -3.916 1.00 1.00 O ATOM 410 CB ALA A 39 5.390 7.521 -3.978 1.00 1.00 C ATOM 0 H ALA A 39 7.737 7.223 -5.071 1.00 1.00 H new ATOM 0 HA ALA A 39 5.278 8.725 -5.738 1.00 1.00 H new ATOM 0 HB1 ALA A 39 4.585 8.052 -3.470 1.00 1.00 H new ATOM 0 HB2 ALA A 39 4.986 6.641 -4.478 1.00 1.00 H new ATOM 0 HB3 ALA A 39 6.138 7.212 -3.247 1.00 1.00 H new ATOM 416 N GLN A 40 5.730 10.766 -4.269 1.00 1.00 N ATOM 417 CA GLN A 40 6.158 12.026 -3.666 1.00 1.00 C ATOM 418 C GLN A 40 5.375 12.333 -2.391 1.00 1.00 C ATOM 419 O GLN A 40 5.909 12.236 -1.287 1.00 1.00 O ATOM 420 CB GLN A 40 5.993 13.172 -4.667 1.00 1.00 C ATOM 421 CG GLN A 40 7.287 13.560 -5.365 1.00 1.00 C ATOM 422 CD GLN A 40 8.270 14.240 -4.433 1.00 1.00 C ATOM 423 OE1 GLN A 40 9.262 13.643 -4.014 1.00 1.00 O ATOM 424 NE2 GLN A 40 8.000 15.498 -4.102 1.00 1.00 N ATOM 0 H GLN A 40 4.770 10.763 -4.614 1.00 1.00 H new ATOM 0 HA GLN A 40 7.210 11.925 -3.399 1.00 1.00 H new ATOM 0 HB2 GLN A 40 5.257 12.885 -5.418 1.00 1.00 H new ATOM 0 HB3 GLN A 40 5.595 14.043 -4.147 1.00 1.00 H new ATOM 0 HG2 GLN A 40 7.750 12.668 -5.787 1.00 1.00 H new ATOM 0 HG3 GLN A 40 7.061 14.226 -6.198 1.00 1.00 H new ATOM 0 HE21 GLN A 40 7.167 15.955 -4.472 1.00 1.00 H new ATOM 0 HE22 GLN A 40 8.626 16.007 -3.478 1.00 1.00 H new ATOM 433 N LYS A 41 4.111 12.717 -2.553 1.00 1.00 N ATOM 434 CA LYS A 41 3.255 13.054 -1.416 1.00 1.00 C ATOM 435 C LYS A 41 3.318 11.984 -0.328 1.00 1.00 C ATOM 436 O LYS A 41 3.958 10.947 -0.498 1.00 1.00 O ATOM 437 CB LYS A 41 1.807 13.243 -1.875 1.00 1.00 C ATOM 438 CG LYS A 41 1.223 12.028 -2.577 1.00 1.00 C ATOM 439 CD LYS A 41 1.479 12.071 -4.075 1.00 1.00 C ATOM 440 CE LYS A 41 0.307 11.500 -4.857 1.00 1.00 C ATOM 441 NZ LYS A 41 0.392 11.833 -6.306 1.00 1.00 N ATOM 0 H LYS A 41 3.655 12.803 -3.462 1.00 1.00 H new ATOM 0 HA LYS A 41 3.625 13.988 -0.994 1.00 1.00 H new ATOM 0 HB2 LYS A 41 1.190 13.483 -1.009 1.00 1.00 H new ATOM 0 HB3 LYS A 41 1.758 14.099 -2.548 1.00 1.00 H new ATOM 0 HG2 LYS A 41 1.659 11.121 -2.159 1.00 1.00 H new ATOM 0 HG3 LYS A 41 0.150 11.981 -2.392 1.00 1.00 H new ATOM 0 HD2 LYS A 41 1.658 13.101 -4.385 1.00 1.00 H new ATOM 0 HD3 LYS A 41 2.382 11.507 -4.307 1.00 1.00 H new ATOM 0 HE2 LYS A 41 0.281 10.417 -4.734 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -0.626 11.889 -4.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -0.425 11.426 -6.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 0.391 12.866 -6.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 1.270 11.440 -6.702 1.00 1.00 H new ATOM 455 N GLU A 42 2.650 12.248 0.790 1.00 1.00 N ATOM 456 CA GLU A 42 2.630 11.312 1.909 1.00 1.00 C ATOM 457 C GLU A 42 1.453 10.348 1.796 1.00 1.00 C ATOM 458 O GLU A 42 1.518 9.217 2.276 1.00 1.00 O ATOM 459 CB GLU A 42 2.556 12.071 3.235 1.00 1.00 C ATOM 460 CG GLU A 42 3.912 12.519 3.756 1.00 1.00 C ATOM 461 CD GLU A 42 4.079 12.266 5.242 1.00 1.00 C ATOM 462 OE1 GLU A 42 3.479 11.296 5.750 1.00 1.00 O ATOM 463 OE2 GLU A 42 4.810 13.038 5.897 1.00 1.00 O ATOM 0 H GLU A 42 2.115 13.102 0.946 1.00 1.00 H new ATOM 0 HA GLU A 42 3.553 10.733 1.879 1.00 1.00 H new ATOM 0 HB2 GLU A 42 1.918 12.945 3.108 1.00 1.00 H new ATOM 0 HB3 GLU A 42 2.081 11.435 3.982 1.00 1.00 H new ATOM 0 HG2 GLU A 42 4.697 11.995 3.212 1.00 1.00 H new ATOM 0 HG3 GLU A 42 4.041 13.583 3.556 1.00 1.00 H new ATOM 470 N THR A 43 0.377 10.801 1.159 1.00 1.00 N ATOM 471 CA THR A 43 -0.809 9.969 0.988 1.00 1.00 C ATOM 472 C THR A 43 -0.947 9.512 -0.459 1.00 1.00 C ATOM 473 O THR A 43 -0.469 10.174 -1.379 1.00 1.00 O ATOM 474 CB THR A 43 -2.069 10.728 1.414 1.00 1.00 C ATOM 475 OG1 THR A 43 -1.735 11.865 2.190 1.00 1.00 O ATOM 476 CG2 THR A 43 -3.030 9.885 2.223 1.00 1.00 C ATOM 0 H THR A 43 0.302 11.734 0.755 1.00 1.00 H new ATOM 0 HA THR A 43 -0.694 9.091 1.623 1.00 1.00 H new ATOM 0 HB THR A 43 -2.558 11.017 0.484 1.00 1.00 H new ATOM 0 HG1 THR A 43 -1.175 11.592 2.946 1.00 1.00 H new ATOM 0 HG21 THR A 43 -3.901 10.483 2.492 1.00 1.00 H new ATOM 0 HG22 THR A 43 -3.348 9.027 1.631 1.00 1.00 H new ATOM 0 HG23 THR A 43 -2.534 9.537 3.129 1.00 1.00 H new ATOM 484 N PHE A 44 -1.605 8.377 -0.651 1.00 1.00 N ATOM 485 CA PHE A 44 -1.811 7.828 -1.983 1.00 1.00 C ATOM 486 C PHE A 44 -3.065 6.966 -2.020 1.00 1.00 C ATOM 487 O PHE A 44 -3.412 6.323 -1.032 1.00 1.00 O ATOM 488 CB PHE A 44 -0.612 6.978 -2.406 1.00 1.00 C ATOM 489 CG PHE A 44 0.710 7.681 -2.321 1.00 1.00 C ATOM 490 CD1 PHE A 44 1.393 7.752 -1.119 1.00 1.00 C ATOM 491 CD2 PHE A 44 1.278 8.250 -3.447 1.00 1.00 C ATOM 492 CE1 PHE A 44 2.621 8.380 -1.041 1.00 1.00 C ATOM 493 CE2 PHE A 44 2.504 8.883 -3.374 1.00 1.00 C ATOM 494 CZ PHE A 44 3.176 8.947 -2.171 1.00 1.00 C ATOM 0 H PHE A 44 -2.006 7.817 0.102 1.00 1.00 H new ATOM 0 HA PHE A 44 -1.925 8.664 -2.673 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -0.576 6.086 -1.780 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -0.765 6.642 -3.431 1.00 1.00 H new ATOM 0 HD1 PHE A 44 0.961 7.312 -0.232 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.758 8.199 -4.392 1.00 1.00 H new ATOM 0 HE1 PHE A 44 3.146 8.427 -0.098 1.00 1.00 H new ATOM 0 HE2 PHE A 44 2.936 9.327 -4.258 1.00 1.00 H new ATOM 0 HZ PHE A 44 4.135 9.440 -2.113 1.00 1.00 H new ATOM 504 N THR A 45 -3.729 6.936 -3.168 1.00 1.00 N ATOM 505 CA THR A 45 -4.928 6.127 -3.326 1.00 1.00 C ATOM 506 C THR A 45 -4.537 4.668 -3.517 1.00 1.00 C ATOM 507 O THR A 45 -3.455 4.372 -4.025 1.00 1.00 O ATOM 508 CB THR A 45 -5.753 6.607 -4.522 1.00 1.00 C ATOM 509 OG1 THR A 45 -4.963 6.635 -5.697 1.00 1.00 O ATOM 510 CG2 THR A 45 -6.340 7.988 -4.331 1.00 1.00 C ATOM 0 H THR A 45 -3.458 7.461 -4.000 1.00 1.00 H new ATOM 0 HA THR A 45 -5.537 6.227 -2.428 1.00 1.00 H new ATOM 0 HB THR A 45 -6.571 5.893 -4.612 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.509 6.943 -6.451 1.00 1.00 H new ATOM 0 HG21 THR A 45 -6.912 8.266 -5.216 1.00 1.00 H new ATOM 0 HG22 THR A 45 -6.996 7.987 -3.460 1.00 1.00 H new ATOM 0 HG23 THR A 45 -5.535 8.707 -4.179 1.00 1.00 H new ATOM 518 N MET A 46 -5.410 3.759 -3.097 1.00 1.00 N ATOM 519 CA MET A 46 -5.144 2.332 -3.211 1.00 1.00 C ATOM 520 C MET A 46 -4.556 1.971 -4.574 1.00 1.00 C ATOM 521 O MET A 46 -3.798 1.011 -4.695 1.00 1.00 O ATOM 522 CB MET A 46 -6.421 1.536 -2.954 1.00 1.00 C ATOM 523 CG MET A 46 -6.231 0.442 -1.924 1.00 1.00 C ATOM 524 SD MET A 46 -6.219 1.064 -0.235 1.00 1.00 S ATOM 525 CE MET A 46 -4.531 0.687 0.232 1.00 1.00 C ATOM 0 H MET A 46 -6.310 3.987 -2.674 1.00 1.00 H new ATOM 0 HA MET A 46 -4.402 2.072 -2.456 1.00 1.00 H new ATOM 0 HB2 MET A 46 -7.205 2.214 -2.617 1.00 1.00 H new ATOM 0 HB3 MET A 46 -6.763 1.093 -3.890 1.00 1.00 H new ATOM 0 HG2 MET A 46 -7.030 -0.292 -2.030 1.00 1.00 H new ATOM 0 HG3 MET A 46 -5.293 -0.077 -2.121 1.00 1.00 H new ATOM 0 HE1 MET A 46 -4.136 1.493 0.851 1.00 1.00 H new ATOM 0 HE2 MET A 46 -4.509 -0.246 0.795 1.00 1.00 H new ATOM 0 HE3 MET A 46 -3.920 0.585 -0.665 1.00 1.00 H new ATOM 535 N LYS A 47 -4.897 2.750 -5.594 1.00 1.00 N ATOM 536 CA LYS A 47 -4.384 2.508 -6.937 1.00 1.00 C ATOM 537 C LYS A 47 -2.915 2.903 -7.024 1.00 1.00 C ATOM 538 O LYS A 47 -2.067 2.099 -7.410 1.00 1.00 O ATOM 539 CB LYS A 47 -5.198 3.289 -7.967 1.00 1.00 C ATOM 540 CG LYS A 47 -5.201 2.660 -9.350 1.00 1.00 C ATOM 541 CD LYS A 47 -5.812 1.269 -9.325 1.00 1.00 C ATOM 542 CE LYS A 47 -4.748 0.198 -9.161 1.00 1.00 C ATOM 543 NZ LYS A 47 -4.913 -0.907 -10.145 1.00 1.00 N ATOM 0 H LYS A 47 -5.524 3.551 -5.517 1.00 1.00 H new ATOM 0 HA LYS A 47 -4.474 1.443 -7.153 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -6.226 3.375 -7.615 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -4.800 4.301 -8.039 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -5.761 3.293 -10.038 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -4.180 2.604 -9.728 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -6.529 1.200 -8.507 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -6.365 1.096 -10.249 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -3.761 0.646 -9.281 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -4.794 -0.207 -8.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -4.167 -1.616 -9.999 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -5.844 -1.352 -10.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -4.844 -0.526 -11.110 1.00 1.00 H new ATOM 557 N GLU A 48 -2.620 4.145 -6.654 1.00 1.00 N ATOM 558 CA GLU A 48 -1.248 4.641 -6.684 1.00 1.00 C ATOM 559 C GLU A 48 -0.383 3.871 -5.694 1.00 1.00 C ATOM 560 O GLU A 48 0.733 3.465 -6.015 1.00 1.00 O ATOM 561 CB GLU A 48 -1.203 6.136 -6.363 1.00 1.00 C ATOM 562 CG GLU A 48 -2.291 6.944 -7.052 1.00 1.00 C ATOM 563 CD GLU A 48 -1.735 8.090 -7.875 1.00 1.00 C ATOM 564 OE1 GLU A 48 -1.025 7.820 -8.866 1.00 1.00 O ATOM 565 OE2 GLU A 48 -2.010 9.258 -7.528 1.00 1.00 O ATOM 0 H GLU A 48 -3.309 4.824 -6.331 1.00 1.00 H new ATOM 0 HA GLU A 48 -0.856 4.490 -7.690 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -1.292 6.270 -5.285 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -0.230 6.532 -6.654 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -2.872 6.286 -7.698 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -2.975 7.339 -6.301 1.00 1.00 H new ATOM 572 N VAL A 49 -0.910 3.658 -4.490 1.00 1.00 N ATOM 573 CA VAL A 49 -0.181 2.921 -3.462 1.00 1.00 C ATOM 574 C VAL A 49 0.263 1.569 -4.001 1.00 1.00 C ATOM 575 O VAL A 49 1.455 1.268 -4.063 1.00 1.00 O ATOM 576 CB VAL A 49 -1.035 2.694 -2.198 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.167 2.181 -1.058 1.00 1.00 C ATOM 578 CG2 VAL A 49 -1.762 3.970 -1.794 1.00 1.00 C ATOM 0 H VAL A 49 -1.833 3.983 -4.204 1.00 1.00 H new ATOM 0 HA VAL A 49 0.685 3.525 -3.190 1.00 1.00 H new ATOM 0 HB VAL A 49 -1.788 1.939 -2.425 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -0.784 2.026 -0.173 1.00 1.00 H new ATOM 0 HG12 VAL A 49 0.295 1.238 -1.349 1.00 1.00 H new ATOM 0 HG13 VAL A 49 0.610 2.912 -0.835 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -2.357 3.782 -0.900 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -1.033 4.754 -1.587 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -2.417 4.288 -2.605 1.00 1.00 H new ATOM 588 N LEU A 50 -0.713 0.764 -4.402 1.00 1.00 N ATOM 589 CA LEU A 50 -0.442 -0.556 -4.954 1.00 1.00 C ATOM 590 C LEU A 50 0.394 -0.453 -6.231 1.00 1.00 C ATOM 591 O LEU A 50 1.002 -1.432 -6.665 1.00 1.00 O ATOM 592 CB LEU A 50 -1.760 -1.281 -5.242 1.00 1.00 C ATOM 593 CG LEU A 50 -1.792 -2.757 -4.842 1.00 1.00 C ATOM 594 CD1 LEU A 50 -3.227 -3.246 -4.723 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.025 -3.601 -5.846 1.00 1.00 C ATOM 0 H LEU A 50 -1.703 1.004 -4.355 1.00 1.00 H new ATOM 0 HA LEU A 50 0.128 -1.126 -4.220 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.563 -0.762 -4.719 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -1.972 -1.205 -6.308 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.310 -2.858 -3.869 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.230 -4.298 -4.438 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.748 -2.663 -3.964 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -3.732 -3.128 -5.682 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.060 -4.648 -5.543 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.477 -3.493 -6.832 1.00 1.00 H new ATOM 0 HD23 LEU A 50 0.012 -3.268 -5.884 1.00 1.00 H new ATOM 607 N TYR A 51 0.420 0.737 -6.834 1.00 1.00 N ATOM 608 CA TYR A 51 1.180 0.954 -8.061 1.00 1.00 C ATOM 609 C TYR A 51 2.676 1.083 -7.774 1.00 1.00 C ATOM 610 O TYR A 51 3.481 0.320 -8.309 1.00 1.00 O ATOM 611 CB TYR A 51 0.674 2.200 -8.794 1.00 1.00 C ATOM 612 CG TYR A 51 1.380 2.458 -10.106 1.00 1.00 C ATOM 613 CD1 TYR A 51 1.337 1.525 -11.135 1.00 1.00 C ATOM 614 CD2 TYR A 51 2.088 3.634 -10.317 1.00 1.00 C ATOM 615 CE1 TYR A 51 1.981 1.757 -12.335 1.00 1.00 C ATOM 616 CE2 TYR A 51 2.733 3.874 -11.515 1.00 1.00 C ATOM 617 CZ TYR A 51 2.677 2.932 -12.520 1.00 1.00 C ATOM 618 OH TYR A 51 3.319 3.167 -13.715 1.00 1.00 O ATOM 0 H TYR A 51 -0.075 1.561 -6.492 1.00 1.00 H new ATOM 0 HA TYR A 51 1.032 0.083 -8.700 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -0.395 2.093 -8.981 1.00 1.00 H new ATOM 0 HB3 TYR A 51 0.799 3.068 -8.147 1.00 1.00 H new ATOM 0 HD1 TYR A 51 0.791 0.604 -10.994 1.00 1.00 H new ATOM 0 HD2 TYR A 51 2.135 4.373 -9.531 1.00 1.00 H new ATOM 0 HE1 TYR A 51 1.939 1.021 -13.124 1.00 1.00 H new ATOM 0 HE2 TYR A 51 3.278 4.794 -11.663 1.00 1.00 H new ATOM 0 HH TYR A 51 3.761 4.041 -13.682 1.00 1.00 H new ATOM 628 N HIS A 52 3.050 2.044 -6.930 1.00 1.00 N ATOM 629 CA HIS A 52 4.457 2.243 -6.592 1.00 1.00 C ATOM 630 C HIS A 52 4.989 1.056 -5.799 1.00 1.00 C ATOM 631 O HIS A 52 6.177 0.737 -5.860 1.00 1.00 O ATOM 632 CB HIS A 52 4.666 3.527 -5.782 1.00 1.00 C ATOM 633 CG HIS A 52 3.764 4.658 -6.165 1.00 1.00 C ATOM 634 ND1 HIS A 52 3.901 5.369 -7.338 1.00 1.00 N ATOM 635 CD2 HIS A 52 2.719 5.217 -5.509 1.00 1.00 C ATOM 636 CE1 HIS A 52 2.983 6.318 -7.384 1.00 1.00 C ATOM 637 NE2 HIS A 52 2.253 6.246 -6.288 1.00 1.00 N ATOM 0 H HIS A 52 2.406 2.690 -6.473 1.00 1.00 H new ATOM 0 HA HIS A 52 5.005 2.332 -7.530 1.00 1.00 H new ATOM 0 HB2 HIS A 52 4.518 3.303 -4.726 1.00 1.00 H new ATOM 0 HB3 HIS A 52 5.701 3.850 -5.897 1.00 1.00 H new ATOM 0 HD1 HIS A 52 4.601 5.190 -8.058 1.00 1.00 H new ATOM 0 HD2 HIS A 52 2.326 4.910 -4.551 1.00 1.00 H new ATOM 0 HE1 HIS A 52 2.852 7.032 -8.184 1.00 1.00 H new ATOM 646 N LEU A 53 4.103 0.402 -5.055 1.00 1.00 N ATOM 647 CA LEU A 53 4.479 -0.743 -4.255 1.00 1.00 C ATOM 648 C LEU A 53 4.942 -1.885 -5.153 1.00 1.00 C ATOM 649 O LEU A 53 5.948 -2.538 -4.875 1.00 1.00 O ATOM 650 CB LEU A 53 3.296 -1.177 -3.394 1.00 1.00 C ATOM 651 CG LEU A 53 3.508 -2.477 -2.641 1.00 1.00 C ATOM 652 CD1 LEU A 53 4.688 -2.350 -1.690 1.00 1.00 C ATOM 653 CD2 LEU A 53 2.246 -2.877 -1.891 1.00 1.00 C ATOM 0 H LEU A 53 3.116 0.652 -4.994 1.00 1.00 H new ATOM 0 HA LEU A 53 5.307 -0.469 -3.601 1.00 1.00 H new ATOM 0 HB2 LEU A 53 3.077 -0.387 -2.675 1.00 1.00 H new ATOM 0 HB3 LEU A 53 2.418 -1.280 -4.031 1.00 1.00 H new ATOM 0 HG LEU A 53 3.732 -3.263 -3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 53 4.828 -3.290 -1.157 1.00 1.00 H new ATOM 0 HD12 LEU A 53 5.589 -2.117 -2.257 1.00 1.00 H new ATOM 0 HD13 LEU A 53 4.494 -1.552 -0.974 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.420 -3.812 -1.358 1.00 1.00 H new ATOM 0 HD22 LEU A 53 1.984 -2.096 -1.177 1.00 1.00 H new ATOM 0 HD23 LEU A 53 1.428 -3.010 -2.600 1.00 1.00 H new ATOM 665 N GLY A 54 4.215 -2.109 -6.243 1.00 1.00 N ATOM 666 CA GLY A 54 4.589 -3.157 -7.172 1.00 1.00 C ATOM 667 C GLY A 54 5.925 -2.862 -7.817 1.00 1.00 C ATOM 668 O GLY A 54 6.740 -3.762 -8.027 1.00 1.00 O ATOM 0 H GLY A 54 3.377 -1.586 -6.498 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.638 -4.111 -6.648 1.00 1.00 H new ATOM 0 HA3 GLY A 54 3.824 -3.255 -7.942 1.00 1.00 H new ATOM 672 N GLN A 55 6.156 -1.586 -8.111 1.00 1.00 N ATOM 673 CA GLN A 55 7.409 -1.155 -8.712 1.00 1.00 C ATOM 674 C GLN A 55 8.530 -1.215 -7.681 1.00 1.00 C ATOM 675 O GLN A 55 9.697 -1.397 -8.024 1.00 1.00 O ATOM 676 CB GLN A 55 7.276 0.266 -9.263 1.00 1.00 C ATOM 677 CG GLN A 55 6.225 0.399 -10.353 1.00 1.00 C ATOM 678 CD GLN A 55 6.688 1.269 -11.506 1.00 1.00 C ATOM 679 OE1 GLN A 55 7.789 1.094 -12.027 1.00 1.00 O ATOM 680 NE2 GLN A 55 5.846 2.213 -11.910 1.00 1.00 N ATOM 0 H GLN A 55 5.489 -0.833 -7.942 1.00 1.00 H new ATOM 0 HA GLN A 55 7.649 -1.826 -9.537 1.00 1.00 H new ATOM 0 HB2 GLN A 55 7.027 0.942 -8.445 1.00 1.00 H new ATOM 0 HB3 GLN A 55 8.240 0.585 -9.658 1.00 1.00 H new ATOM 0 HG2 GLN A 55 5.970 -0.592 -10.730 1.00 1.00 H new ATOM 0 HG3 GLN A 55 5.315 0.822 -9.926 1.00 1.00 H new ATOM 0 HE21 GLN A 55 4.943 2.322 -11.449 1.00 1.00 H new ATOM 0 HE22 GLN A 55 6.102 2.829 -12.682 1.00 1.00 H new ATOM 689 N TYR A 56 8.161 -1.071 -6.410 1.00 1.00 N ATOM 690 CA TYR A 56 9.130 -1.122 -5.324 1.00 1.00 C ATOM 691 C TYR A 56 9.816 -2.483 -5.294 1.00 1.00 C ATOM 692 O TYR A 56 11.008 -2.586 -5.004 1.00 1.00 O ATOM 693 CB TYR A 56 8.442 -0.851 -3.982 1.00 1.00 C ATOM 694 CG TYR A 56 9.353 -1.030 -2.790 1.00 1.00 C ATOM 695 CD1 TYR A 56 10.205 -0.012 -2.383 1.00 1.00 C ATOM 696 CD2 TYR A 56 9.372 -2.223 -2.083 1.00 1.00 C ATOM 697 CE1 TYR A 56 11.049 -0.178 -1.303 1.00 1.00 C ATOM 698 CE2 TYR A 56 10.210 -2.397 -1.000 1.00 1.00 C ATOM 699 CZ TYR A 56 11.047 -1.372 -0.613 1.00 1.00 C ATOM 700 OH TYR A 56 11.886 -1.543 0.464 1.00 1.00 O ATOM 0 H TYR A 56 7.198 -0.918 -6.110 1.00 1.00 H new ATOM 0 HA TYR A 56 9.882 -0.351 -5.494 1.00 1.00 H new ATOM 0 HB2 TYR A 56 8.052 0.167 -3.982 1.00 1.00 H new ATOM 0 HB3 TYR A 56 7.587 -1.520 -3.880 1.00 1.00 H new ATOM 0 HD1 TYR A 56 10.208 0.925 -2.920 1.00 1.00 H new ATOM 0 HD2 TYR A 56 8.720 -3.029 -2.385 1.00 1.00 H new ATOM 0 HE1 TYR A 56 11.707 0.623 -1.000 1.00 1.00 H new ATOM 0 HE2 TYR A 56 10.210 -3.331 -0.458 1.00 1.00 H new ATOM 0 HH TYR A 56 11.602 -2.328 0.978 1.00 1.00 H new ATOM 710 N ILE A 57 9.049 -3.526 -5.599 1.00 1.00 N ATOM 711 CA ILE A 57 9.575 -4.885 -5.611 1.00 1.00 C ATOM 712 C ILE A 57 10.534 -5.087 -6.778 1.00 1.00 C ATOM 713 O ILE A 57 11.671 -5.520 -6.589 1.00 1.00 O ATOM 714 CB ILE A 57 8.441 -5.924 -5.704 1.00 1.00 C ATOM 715 CG1 ILE A 57 7.387 -5.657 -4.629 1.00 1.00 C ATOM 716 CG2 ILE A 57 8.999 -7.334 -5.568 1.00 1.00 C ATOM 717 CD1 ILE A 57 6.215 -6.611 -4.683 1.00 1.00 C ATOM 0 H ILE A 57 8.061 -3.455 -5.841 1.00 1.00 H new ATOM 0 HA ILE A 57 10.111 -5.029 -4.673 1.00 1.00 H new ATOM 0 HB ILE A 57 7.967 -5.836 -6.682 1.00 1.00 H new ATOM 0 HG12 ILE A 57 7.856 -5.725 -3.647 1.00 1.00 H new ATOM 0 HG13 ILE A 57 7.020 -4.636 -4.737 1.00 1.00 H new ATOM 0 HG21 ILE A 57 8.185 -8.056 -5.636 1.00 1.00 H new ATOM 0 HG22 ILE A 57 9.716 -7.520 -6.367 1.00 1.00 H new ATOM 0 HG23 ILE A 57 9.496 -7.437 -4.603 1.00 1.00 H new ATOM 0 HD11 ILE A 57 5.507 -6.363 -3.892 1.00 1.00 H new ATOM 0 HD12 ILE A 57 5.722 -6.527 -5.651 1.00 1.00 H new ATOM 0 HD13 ILE A 57 6.570 -7.632 -4.545 1.00 1.00 H new ATOM 729 N MET A 58 10.073 -4.771 -7.984 1.00 1.00 N ATOM 730 CA MET A 58 10.901 -4.920 -9.175 1.00 1.00 C ATOM 731 C MET A 58 12.152 -4.050 -9.073 1.00 1.00 C ATOM 732 O MET A 58 13.187 -4.364 -9.660 1.00 1.00 O ATOM 733 CB MET A 58 10.103 -4.568 -10.436 1.00 1.00 C ATOM 734 CG MET A 58 9.877 -3.076 -10.632 1.00 1.00 C ATOM 735 SD MET A 58 10.636 -2.447 -12.144 1.00 1.00 S ATOM 736 CE MET A 58 11.494 -1.005 -11.518 1.00 1.00 C ATOM 0 H MET A 58 9.135 -4.412 -8.162 1.00 1.00 H new ATOM 0 HA MET A 58 11.212 -5.962 -9.246 1.00 1.00 H new ATOM 0 HB2 MET A 58 10.627 -4.963 -11.307 1.00 1.00 H new ATOM 0 HB3 MET A 58 9.136 -5.068 -10.392 1.00 1.00 H new ATOM 0 HG2 MET A 58 8.806 -2.876 -10.658 1.00 1.00 H new ATOM 0 HG3 MET A 58 10.282 -2.536 -9.776 1.00 1.00 H new ATOM 0 HE1 MET A 58 12.013 -0.507 -12.337 1.00 1.00 H new ATOM 0 HE2 MET A 58 10.774 -0.318 -11.073 1.00 1.00 H new ATOM 0 HE3 MET A 58 12.217 -1.312 -10.762 1.00 1.00 H new ATOM 746 N ALA A 59 12.052 -2.961 -8.315 1.00 1.00 N ATOM 747 CA ALA A 59 13.178 -2.055 -8.128 1.00 1.00 C ATOM 748 C ALA A 59 14.141 -2.607 -7.084 1.00 1.00 C ATOM 749 O ALA A 59 15.315 -2.841 -7.370 1.00 1.00 O ATOM 750 CB ALA A 59 12.686 -0.674 -7.721 1.00 1.00 C ATOM 0 H ALA A 59 11.203 -2.686 -7.821 1.00 1.00 H new ATOM 0 HA ALA A 59 13.711 -1.967 -9.075 1.00 1.00 H new ATOM 0 HB1 ALA A 59 13.539 -0.009 -7.585 1.00 1.00 H new ATOM 0 HB2 ALA A 59 12.036 -0.275 -8.500 1.00 1.00 H new ATOM 0 HB3 ALA A 59 12.130 -0.747 -6.786 1.00 1.00 H new ATOM 756 N LYS A 60 13.633 -2.828 -5.875 1.00 1.00 N ATOM 757 CA LYS A 60 14.445 -3.368 -4.794 1.00 1.00 C ATOM 758 C LYS A 60 14.940 -4.769 -5.145 1.00 1.00 C ATOM 759 O LYS A 60 15.965 -5.223 -4.636 1.00 1.00 O ATOM 760 CB LYS A 60 13.635 -3.413 -3.499 1.00 1.00 C ATOM 761 CG LYS A 60 13.691 -2.124 -2.696 1.00 1.00 C ATOM 762 CD LYS A 60 13.301 -0.917 -3.534 1.00 1.00 C ATOM 763 CE LYS A 60 13.574 0.384 -2.798 1.00 1.00 C ATOM 764 NZ LYS A 60 14.917 0.936 -3.126 1.00 1.00 N ATOM 0 H LYS A 60 12.663 -2.641 -5.621 1.00 1.00 H new ATOM 0 HA LYS A 60 15.308 -2.717 -4.653 1.00 1.00 H new ATOM 0 HB2 LYS A 60 12.595 -3.636 -3.739 1.00 1.00 H new ATOM 0 HB3 LYS A 60 14.002 -4.232 -2.880 1.00 1.00 H new ATOM 0 HG2 LYS A 60 13.023 -2.201 -1.838 1.00 1.00 H new ATOM 0 HG3 LYS A 60 14.698 -1.984 -2.304 1.00 1.00 H new ATOM 0 HD2 LYS A 60 13.856 -0.929 -4.472 1.00 1.00 H new ATOM 0 HD3 LYS A 60 12.243 -0.977 -3.789 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.808 1.115 -3.057 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.503 0.215 -1.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 15.065 1.823 -2.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 15.650 0.249 -2.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 14.976 1.122 -4.148 1.00 1.00 H new ATOM 778 N GLN A 61 14.201 -5.449 -6.021 1.00 1.00 N ATOM 779 CA GLN A 61 14.554 -6.799 -6.449 1.00 1.00 C ATOM 780 C GLN A 61 14.330 -7.807 -5.325 1.00 1.00 C ATOM 781 O GLN A 61 15.277 -8.408 -4.816 1.00 1.00 O ATOM 782 CB GLN A 61 16.008 -6.850 -6.923 1.00 1.00 C ATOM 783 CG GLN A 61 16.349 -8.108 -7.705 1.00 1.00 C ATOM 784 CD GLN A 61 17.042 -7.809 -9.021 1.00 1.00 C ATOM 785 OE1 GLN A 61 16.504 -6.852 -9.769 1.00 1.00 O flip ATOM 786 NE2 GLN A 61 18.049 -8.430 -9.361 1.00 1.00 N flip ATOM 0 H GLN A 61 13.350 -5.083 -6.449 1.00 1.00 H new ATOM 0 HA GLN A 61 13.904 -7.067 -7.282 1.00 1.00 H new ATOM 0 HB2 GLN A 61 16.209 -5.979 -7.547 1.00 1.00 H new ATOM 0 HB3 GLN A 61 16.666 -6.781 -6.057 1.00 1.00 H new ATOM 0 HG2 GLN A 61 16.991 -8.746 -7.098 1.00 1.00 H new ATOM 0 HG3 GLN A 61 15.435 -8.669 -7.900 1.00 1.00 H new ATOM 0 HE21 GLN A 61 18.428 -9.158 -8.755 1.00 1.00 H new ATOM 0 HE22 GLN A 61 18.504 -8.217 -10.249 1.00 1.00 H new ATOM 795 N LEU A 62 13.069 -7.990 -4.948 1.00 1.00 N ATOM 796 CA LEU A 62 12.713 -8.928 -3.889 1.00 1.00 C ATOM 797 C LEU A 62 12.080 -10.196 -4.463 1.00 1.00 C ATOM 798 O LEU A 62 11.790 -11.140 -3.727 1.00 1.00 O ATOM 799 CB LEU A 62 11.747 -8.271 -2.900 1.00 1.00 C ATOM 800 CG LEU A 62 12.148 -6.871 -2.433 1.00 1.00 C ATOM 801 CD1 LEU A 62 11.142 -6.340 -1.424 1.00 1.00 C ATOM 802 CD2 LEU A 62 13.546 -6.889 -1.835 1.00 1.00 C ATOM 0 H LEU A 62 12.275 -7.500 -5.361 1.00 1.00 H new ATOM 0 HA LEU A 62 13.629 -9.206 -3.368 1.00 1.00 H new ATOM 0 HB2 LEU A 62 10.761 -8.214 -3.362 1.00 1.00 H new ATOM 0 HB3 LEU A 62 11.653 -8.915 -2.026 1.00 1.00 H new ATOM 0 HG LEU A 62 12.153 -6.206 -3.297 1.00 1.00 H new ATOM 0 HD11 LEU A 62 11.442 -5.343 -1.102 1.00 1.00 H new ATOM 0 HD12 LEU A 62 10.156 -6.291 -1.885 1.00 1.00 H new ATOM 0 HD13 LEU A 62 11.107 -7.005 -0.561 1.00 1.00 H new ATOM 0 HD21 LEU A 62 13.815 -5.885 -1.508 1.00 1.00 H new ATOM 0 HD22 LEU A 62 13.568 -7.566 -0.981 1.00 1.00 H new ATOM 0 HD23 LEU A 62 14.259 -7.229 -2.586 1.00 1.00 H new ATOM 814 N TYR A 63 11.867 -10.215 -5.777 1.00 1.00 N ATOM 815 CA TYR A 63 11.268 -11.369 -6.437 1.00 1.00 C ATOM 816 C TYR A 63 12.304 -12.466 -6.660 1.00 1.00 C ATOM 817 O TYR A 63 13.501 -12.194 -6.756 1.00 1.00 O ATOM 818 CB TYR A 63 10.655 -10.953 -7.775 1.00 1.00 C ATOM 819 CG TYR A 63 11.646 -10.309 -8.718 1.00 1.00 C ATOM 820 CD1 TYR A 63 12.603 -11.071 -9.376 1.00 1.00 C ATOM 821 CD2 TYR A 63 11.627 -8.938 -8.945 1.00 1.00 C ATOM 822 CE1 TYR A 63 13.514 -10.485 -10.234 1.00 1.00 C ATOM 823 CE2 TYR A 63 12.535 -8.346 -9.804 1.00 1.00 C ATOM 824 CZ TYR A 63 13.476 -9.123 -10.444 1.00 1.00 C ATOM 825 OH TYR A 63 14.381 -8.537 -11.299 1.00 1.00 O ATOM 0 H TYR A 63 12.100 -9.445 -6.404 1.00 1.00 H new ATOM 0 HA TYR A 63 10.483 -11.761 -5.790 1.00 1.00 H new ATOM 0 HB2 TYR A 63 10.224 -11.831 -8.257 1.00 1.00 H new ATOM 0 HB3 TYR A 63 9.837 -10.257 -7.590 1.00 1.00 H new ATOM 0 HD1 TYR A 63 12.636 -12.138 -9.214 1.00 1.00 H new ATOM 0 HD2 TYR A 63 10.892 -8.326 -8.443 1.00 1.00 H new ATOM 0 HE1 TYR A 63 14.252 -11.091 -10.738 1.00 1.00 H new ATOM 0 HE2 TYR A 63 12.507 -7.280 -9.972 1.00 1.00 H new ATOM 0 HH TYR A 63 15.021 -8.003 -10.783 1.00 1.00 H new ATOM 835 N ASP A 64 11.836 -13.707 -6.739 1.00 1.00 N ATOM 836 CA ASP A 64 12.721 -14.847 -6.948 1.00 1.00 C ATOM 837 C ASP A 64 12.955 -15.090 -8.436 1.00 1.00 C ATOM 838 O ASP A 64 12.049 -14.922 -9.252 1.00 1.00 O ATOM 839 CB ASP A 64 12.129 -16.102 -6.302 1.00 1.00 C ATOM 840 CG ASP A 64 13.055 -17.299 -6.404 1.00 1.00 C ATOM 841 OD1 ASP A 64 14.238 -17.107 -6.756 1.00 1.00 O ATOM 842 OD2 ASP A 64 12.597 -18.428 -6.132 1.00 1.00 O ATOM 0 H ASP A 64 10.848 -13.949 -6.661 1.00 1.00 H new ATOM 0 HA ASP A 64 13.680 -14.622 -6.480 1.00 1.00 H new ATOM 0 HB2 ASP A 64 11.915 -15.900 -5.252 1.00 1.00 H new ATOM 0 HB3 ASP A 64 11.179 -16.340 -6.781 1.00 1.00 H new ATOM 847 N GLU A 65 14.175 -15.489 -8.783 1.00 1.00 N ATOM 848 CA GLU A 65 14.522 -15.757 -10.174 1.00 1.00 C ATOM 849 C GLU A 65 13.650 -16.873 -10.738 1.00 1.00 C ATOM 850 O GLU A 65 12.978 -16.694 -11.753 1.00 1.00 O ATOM 851 CB GLU A 65 16.002 -16.133 -10.292 1.00 1.00 C ATOM 852 CG GLU A 65 16.883 -14.989 -10.766 1.00 1.00 C ATOM 853 CD GLU A 65 16.593 -14.585 -12.198 1.00 1.00 C ATOM 854 OE1 GLU A 65 16.990 -15.332 -13.117 1.00 1.00 O ATOM 855 OE2 GLU A 65 15.970 -13.522 -12.401 1.00 1.00 O ATOM 0 H GLU A 65 14.938 -15.633 -8.122 1.00 1.00 H new ATOM 0 HA GLU A 65 14.343 -14.851 -10.753 1.00 1.00 H new ATOM 0 HB2 GLU A 65 16.359 -16.478 -9.322 1.00 1.00 H new ATOM 0 HB3 GLU A 65 16.102 -16.969 -10.984 1.00 1.00 H new ATOM 0 HG2 GLU A 65 16.737 -14.128 -10.113 1.00 1.00 H new ATOM 0 HG3 GLU A 65 17.930 -15.281 -10.680 1.00 1.00 H new ATOM 862 N LYS A 66 13.655 -18.022 -10.067 1.00 1.00 N ATOM 863 CA LYS A 66 12.851 -19.159 -10.501 1.00 1.00 C ATOM 864 C LYS A 66 11.387 -18.752 -10.611 1.00 1.00 C ATOM 865 O LYS A 66 10.832 -18.681 -11.708 1.00 1.00 O ATOM 866 CB LYS A 66 13.002 -20.324 -9.522 1.00 1.00 C ATOM 867 CG LYS A 66 14.447 -20.724 -9.270 1.00 1.00 C ATOM 868 CD LYS A 66 14.984 -20.107 -7.988 1.00 1.00 C ATOM 869 CE LYS A 66 16.266 -19.328 -8.236 1.00 1.00 C ATOM 870 NZ LYS A 66 16.600 -18.429 -7.096 1.00 1.00 N ATOM 0 H LYS A 66 14.205 -18.189 -9.224 1.00 1.00 H new ATOM 0 HA LYS A 66 13.203 -19.481 -11.481 1.00 1.00 H new ATOM 0 HB2 LYS A 66 12.538 -20.053 -8.574 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.457 -21.185 -9.909 1.00 1.00 H new ATOM 0 HG2 LYS A 66 14.519 -21.810 -9.210 1.00 1.00 H new ATOM 0 HG3 LYS A 66 15.064 -20.410 -10.112 1.00 1.00 H new ATOM 0 HD2 LYS A 66 14.232 -19.444 -7.560 1.00 1.00 H new ATOM 0 HD3 LYS A 66 15.171 -20.893 -7.256 1.00 1.00 H new ATOM 0 HE2 LYS A 66 17.088 -20.025 -8.402 1.00 1.00 H new ATOM 0 HE3 LYS A 66 16.161 -18.737 -9.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 17.200 -17.649 -7.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 15.724 -18.042 -6.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 17.110 -18.968 -6.367 1.00 1.00 H new ATOM 884 N GLN A 67 10.771 -18.469 -9.468 1.00 1.00 N ATOM 885 CA GLN A 67 9.379 -18.050 -9.436 1.00 1.00 C ATOM 886 C GLN A 67 9.293 -16.528 -9.442 1.00 1.00 C ATOM 887 O GLN A 67 9.860 -15.863 -8.575 1.00 1.00 O ATOM 888 CB GLN A 67 8.686 -18.608 -8.191 1.00 1.00 C ATOM 889 CG GLN A 67 9.202 -19.973 -7.761 1.00 1.00 C ATOM 890 CD GLN A 67 10.244 -19.885 -6.662 1.00 1.00 C ATOM 891 OE1 GLN A 67 11.323 -20.467 -6.767 1.00 1.00 O ATOM 892 NE2 GLN A 67 9.924 -19.157 -5.598 1.00 1.00 N ATOM 0 H GLN A 67 11.216 -18.523 -8.552 1.00 1.00 H new ATOM 0 HA GLN A 67 8.875 -18.438 -10.321 1.00 1.00 H new ATOM 0 HB2 GLN A 67 8.816 -17.905 -7.368 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.615 -18.679 -8.383 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.366 -20.581 -7.415 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.632 -20.483 -8.623 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.018 -18.691 -5.553 1.00 1.00 H new ATOM 0 HE22 GLN A 67 10.585 -19.064 -4.826 1.00 1.00 H new ATOM 901 N GLN A 68 8.589 -15.979 -10.425 1.00 1.00 N ATOM 902 CA GLN A 68 8.444 -14.533 -10.538 1.00 1.00 C ATOM 903 C GLN A 68 7.287 -14.026 -9.683 1.00 1.00 C ATOM 904 O GLN A 68 7.260 -12.859 -9.292 1.00 1.00 O ATOM 905 CB GLN A 68 8.237 -14.132 -11.999 1.00 1.00 C ATOM 906 CG GLN A 68 9.532 -13.797 -12.723 1.00 1.00 C ATOM 907 CD GLN A 68 10.149 -15.003 -13.403 1.00 1.00 C ATOM 908 OE1 GLN A 68 9.467 -15.754 -14.100 1.00 1.00 O ATOM 909 NE2 GLN A 68 11.448 -15.193 -13.204 1.00 1.00 N ATOM 0 H GLN A 68 8.111 -16.511 -11.153 1.00 1.00 H new ATOM 0 HA GLN A 68 9.362 -14.074 -10.171 1.00 1.00 H new ATOM 0 HB2 GLN A 68 7.736 -14.945 -12.524 1.00 1.00 H new ATOM 0 HB3 GLN A 68 7.573 -13.269 -12.040 1.00 1.00 H new ATOM 0 HG2 GLN A 68 9.338 -13.025 -13.467 1.00 1.00 H new ATOM 0 HG3 GLN A 68 10.245 -13.382 -12.011 1.00 1.00 H new ATOM 0 HE21 GLN A 68 11.974 -14.545 -12.618 1.00 1.00 H new ATOM 0 HE22 GLN A 68 11.919 -15.987 -13.637 1.00 1.00 H new ATOM 918 N HIS A 69 6.334 -14.907 -9.390 1.00 1.00 N ATOM 919 CA HIS A 69 5.182 -14.537 -8.576 1.00 1.00 C ATOM 920 C HIS A 69 5.458 -14.758 -7.087 1.00 1.00 C ATOM 921 O HIS A 69 4.540 -14.729 -6.267 1.00 1.00 O ATOM 922 CB HIS A 69 3.941 -15.322 -9.017 1.00 1.00 C ATOM 923 CG HIS A 69 3.924 -16.753 -8.568 1.00 1.00 C ATOM 924 ND1 HIS A 69 5.069 -17.482 -8.324 1.00 1.00 N ATOM 925 CD2 HIS A 69 2.888 -17.590 -8.322 1.00 1.00 C ATOM 926 CE1 HIS A 69 4.737 -18.705 -7.949 1.00 1.00 C ATOM 927 NE2 HIS A 69 3.421 -18.796 -7.939 1.00 1.00 N ATOM 0 H HIS A 69 6.337 -15.878 -9.703 1.00 1.00 H new ATOM 0 HA HIS A 69 4.994 -13.474 -8.725 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.053 -14.822 -8.631 1.00 1.00 H new ATOM 0 HB3 HIS A 69 3.875 -15.294 -10.105 1.00 1.00 H new ATOM 0 HD2 HIS A 69 1.838 -17.353 -8.411 1.00 1.00 H new ATOM 0 HE1 HIS A 69 5.426 -19.496 -7.694 1.00 1.00 H new ATOM 0 HE2 HIS A 69 2.886 -19.627 -7.688 1.00 1.00 H new ATOM 936 N ILE A 70 6.728 -14.969 -6.742 1.00 1.00 N ATOM 937 CA ILE A 70 7.120 -15.183 -5.354 1.00 1.00 C ATOM 938 C ILE A 70 8.133 -14.131 -4.911 1.00 1.00 C ATOM 939 O ILE A 70 9.100 -13.848 -5.619 1.00 1.00 O ATOM 940 CB ILE A 70 7.725 -16.589 -5.145 1.00 1.00 C ATOM 941 CG1 ILE A 70 6.698 -17.670 -5.486 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.218 -16.756 -3.713 1.00 1.00 C ATOM 943 CD1 ILE A 70 5.372 -17.496 -4.776 1.00 1.00 C ATOM 0 H ILE A 70 7.501 -14.996 -7.407 1.00 1.00 H new ATOM 0 HA ILE A 70 6.217 -15.098 -4.750 1.00 1.00 H new ATOM 0 HB ILE A 70 8.578 -16.697 -5.816 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.526 -17.669 -6.562 1.00 1.00 H new ATOM 0 HG13 ILE A 70 7.112 -18.645 -5.230 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.640 -17.753 -3.587 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.983 -16.009 -3.502 1.00 1.00 H new ATOM 0 HG23 ILE A 70 7.384 -16.626 -3.024 1.00 1.00 H new ATOM 0 HD11 ILE A 70 4.695 -18.299 -5.067 1.00 1.00 H new ATOM 0 HD12 ILE A 70 5.530 -17.527 -3.698 1.00 1.00 H new ATOM 0 HD13 ILE A 70 4.935 -16.536 -5.051 1.00 1.00 H new ATOM 955 N VAL A 71 7.904 -13.556 -3.737 1.00 1.00 N ATOM 956 CA VAL A 71 8.795 -12.536 -3.198 1.00 1.00 C ATOM 957 C VAL A 71 9.247 -12.896 -1.787 1.00 1.00 C ATOM 958 O VAL A 71 8.477 -12.785 -0.833 1.00 1.00 O ATOM 959 CB VAL A 71 8.115 -11.152 -3.170 1.00 1.00 C ATOM 960 CG1 VAL A 71 9.146 -10.055 -2.954 1.00 1.00 C ATOM 961 CG2 VAL A 71 7.331 -10.910 -4.454 1.00 1.00 C ATOM 0 H VAL A 71 7.108 -13.779 -3.139 1.00 1.00 H new ATOM 0 HA VAL A 71 9.662 -12.492 -3.857 1.00 1.00 H new ATOM 0 HB VAL A 71 7.414 -11.132 -2.336 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.648 -9.086 -2.937 1.00 1.00 H new ATOM 0 HG12 VAL A 71 9.656 -10.217 -2.005 1.00 1.00 H new ATOM 0 HG13 VAL A 71 9.874 -10.075 -3.765 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.860 -9.928 -4.413 1.00 1.00 H new ATOM 0 HG22 VAL A 71 8.008 -10.952 -5.307 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.564 -11.677 -4.562 1.00 1.00 H new ATOM 971 N HIS A 72 10.498 -13.333 -1.657 1.00 1.00 N ATOM 972 CA HIS A 72 11.038 -13.710 -0.356 1.00 1.00 C ATOM 973 C HIS A 72 12.348 -12.982 -0.061 1.00 1.00 C ATOM 974 O HIS A 72 13.416 -13.385 -0.521 1.00 1.00 O ATOM 975 CB HIS A 72 11.249 -15.226 -0.287 1.00 1.00 C ATOM 976 CG HIS A 72 12.321 -15.732 -1.203 1.00 1.00 C ATOM 977 ND1 HIS A 72 12.245 -15.639 -2.577 1.00 1.00 N ATOM 978 CD2 HIS A 72 13.502 -16.337 -0.934 1.00 1.00 C ATOM 979 CE1 HIS A 72 13.332 -16.166 -3.113 1.00 1.00 C ATOM 980 NE2 HIS A 72 14.110 -16.595 -2.137 1.00 1.00 N ATOM 0 H HIS A 72 11.152 -13.434 -2.433 1.00 1.00 H new ATOM 0 HA HIS A 72 10.313 -13.415 0.403 1.00 1.00 H new ATOM 0 HB2 HIS A 72 11.500 -15.502 0.737 1.00 1.00 H new ATOM 0 HB3 HIS A 72 10.311 -15.725 -0.531 1.00 1.00 H new ATOM 0 HD2 HIS A 72 13.893 -16.573 0.045 1.00 1.00 H new ATOM 0 HE1 HIS A 72 13.547 -16.234 -4.169 1.00 1.00 H new ATOM 0 HE2 HIS A 72 15.017 -17.046 -2.257 1.00 1.00 H new ATOM 989 N CYS A 73 12.255 -11.912 0.721 1.00 1.00 N ATOM 990 CA CYS A 73 13.426 -11.129 1.096 1.00 1.00 C ATOM 991 C CYS A 73 13.451 -10.901 2.604 1.00 1.00 C ATOM 992 O CYS A 73 12.716 -10.061 3.123 1.00 1.00 O ATOM 993 CB CYS A 73 13.432 -9.789 0.357 1.00 1.00 C ATOM 994 SG CYS A 73 14.867 -9.548 -0.717 1.00 1.00 S ATOM 0 H CYS A 73 11.377 -11.566 1.109 1.00 1.00 H new ATOM 0 HA CYS A 73 14.319 -11.686 0.813 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.525 -9.712 -0.243 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.399 -8.982 1.089 1.00 1.00 H new ATOM 0 HG CYS A 73 15.403 -8.390 -0.471 1.00 1.00 H new ATOM 1000 N SER A 74 14.290 -11.657 3.306 1.00 1.00 N ATOM 1001 CA SER A 74 14.386 -11.531 4.756 1.00 1.00 C ATOM 1002 C SER A 74 14.824 -10.140 5.159 1.00 1.00 C ATOM 1003 O SER A 74 14.201 -9.521 6.023 1.00 1.00 O ATOM 1004 CB SER A 74 15.345 -12.577 5.327 1.00 1.00 C ATOM 1005 OG SER A 74 15.116 -12.777 6.711 1.00 1.00 O ATOM 0 H SER A 74 14.909 -12.358 2.898 1.00 1.00 H new ATOM 0 HA SER A 74 13.393 -11.705 5.170 1.00 1.00 H new ATOM 0 HB2 SER A 74 15.219 -13.520 4.794 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.375 -12.256 5.168 1.00 1.00 H new ATOM 0 HG SER A 74 15.740 -13.451 7.052 1.00 1.00 H new ATOM 1011 N ASN A 75 15.868 -9.624 4.528 1.00 1.00 N ATOM 1012 CA ASN A 75 16.308 -8.285 4.853 1.00 1.00 C ATOM 1013 C ASN A 75 15.738 -7.309 3.841 1.00 1.00 C ATOM 1014 O ASN A 75 16.328 -7.063 2.789 1.00 1.00 O ATOM 1015 CB ASN A 75 17.835 -8.207 4.862 1.00 1.00 C ATOM 1016 CG ASN A 75 18.449 -9.013 5.989 1.00 1.00 C ATOM 1017 OD1 ASN A 75 18.341 -10.334 5.900 1.00 1.00 O flip ATOM 1018 ND2 ASN A 75 19.014 -8.456 6.930 1.00 1.00 N flip ATOM 0 H ASN A 75 16.411 -10.100 3.808 1.00 1.00 H new ATOM 0 HA ASN A 75 15.950 -8.025 5.849 1.00 1.00 H new ATOM 0 HB2 ASN A 75 18.220 -8.569 3.909 1.00 1.00 H new ATOM 0 HB3 ASN A 75 18.142 -7.165 4.955 1.00 1.00 H new ATOM 0 HD21 ASN A 75 19.074 -7.438 6.958 1.00 1.00 H new ATOM 0 HD22 ASN A 75 19.422 -9.012 7.681 1.00 1.00 H new ATOM 1025 N ASP A 76 14.585 -6.752 4.178 1.00 1.00 N ATOM 1026 CA ASP A 76 13.919 -5.789 3.309 1.00 1.00 C ATOM 1027 C ASP A 76 12.883 -4.975 4.082 1.00 1.00 C ATOM 1028 O ASP A 76 12.144 -5.521 4.901 1.00 1.00 O ATOM 1029 CB ASP A 76 13.250 -6.508 2.137 1.00 1.00 C ATOM 1030 CG ASP A 76 12.770 -5.547 1.068 1.00 1.00 C ATOM 1031 OD1 ASP A 76 13.603 -5.105 0.250 1.00 1.00 O ATOM 1032 OD2 ASP A 76 11.561 -5.236 1.050 1.00 1.00 O ATOM 0 H ASP A 76 14.089 -6.949 5.047 1.00 1.00 H new ATOM 0 HA ASP A 76 14.674 -5.104 2.924 1.00 1.00 H new ATOM 0 HB2 ASP A 76 13.955 -7.214 1.697 1.00 1.00 H new ATOM 0 HB3 ASP A 76 12.405 -7.089 2.505 1.00 1.00 H new ATOM 1037 N PRO A 77 12.802 -3.657 3.826 1.00 1.00 N ATOM 1038 CA PRO A 77 11.836 -2.795 4.502 1.00 1.00 C ATOM 1039 C PRO A 77 10.406 -3.291 4.309 1.00 1.00 C ATOM 1040 O PRO A 77 9.514 -2.970 5.094 1.00 1.00 O ATOM 1041 CB PRO A 77 12.017 -1.427 3.838 1.00 1.00 C ATOM 1042 CG PRO A 77 13.328 -1.476 3.134 1.00 1.00 C ATOM 1043 CD PRO A 77 13.633 -2.920 2.860 1.00 1.00 C ATOM 0 HA PRO A 77 12.002 -2.772 5.579 1.00 1.00 H new ATOM 0 HB2 PRO A 77 11.207 -1.224 3.138 1.00 1.00 H new ATOM 0 HB3 PRO A 77 12.004 -0.629 4.581 1.00 1.00 H new ATOM 0 HG2 PRO A 77 13.286 -0.909 2.204 1.00 1.00 H new ATOM 0 HG3 PRO A 77 14.110 -1.027 3.746 1.00 1.00 H new ATOM 0 HD2 PRO A 77 13.385 -3.191 1.834 1.00 1.00 H new ATOM 0 HD3 PRO A 77 14.692 -3.136 3.000 1.00 1.00 H new ATOM 1051 N LEU A 78 10.196 -4.080 3.258 1.00 1.00 N ATOM 1052 CA LEU A 78 8.878 -4.625 2.962 1.00 1.00 C ATOM 1053 C LEU A 78 8.578 -5.815 3.866 1.00 1.00 C ATOM 1054 O LEU A 78 7.505 -5.900 4.463 1.00 1.00 O ATOM 1055 CB LEU A 78 8.796 -5.048 1.495 1.00 1.00 C ATOM 1056 CG LEU A 78 7.416 -4.901 0.854 1.00 1.00 C ATOM 1057 CD1 LEU A 78 7.018 -3.436 0.777 1.00 1.00 C ATOM 1058 CD2 LEU A 78 7.402 -5.534 -0.529 1.00 1.00 C ATOM 0 H LEU A 78 10.924 -4.355 2.598 1.00 1.00 H new ATOM 0 HA LEU A 78 8.135 -3.849 3.147 1.00 1.00 H new ATOM 0 HB2 LEU A 78 9.510 -4.457 0.922 1.00 1.00 H new ATOM 0 HB3 LEU A 78 9.107 -6.090 1.415 1.00 1.00 H new ATOM 0 HG LEU A 78 6.688 -5.421 1.477 1.00 1.00 H new ATOM 0 HD11 LEU A 78 6.033 -3.350 0.318 1.00 1.00 H new ATOM 0 HD12 LEU A 78 6.988 -3.014 1.781 1.00 1.00 H new ATOM 0 HD13 LEU A 78 7.747 -2.892 0.176 1.00 1.00 H new ATOM 0 HD21 LEU A 78 6.412 -5.420 -0.971 1.00 1.00 H new ATOM 0 HD22 LEU A 78 8.141 -5.042 -1.162 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.643 -6.594 -0.447 1.00 1.00 H new ATOM 1070 N GLY A 79 9.538 -6.730 3.966 1.00 1.00 N ATOM 1071 CA GLY A 79 9.361 -7.899 4.806 1.00 1.00 C ATOM 1072 C GLY A 79 9.136 -7.528 6.257 1.00 1.00 C ATOM 1073 O GLY A 79 8.354 -8.170 6.957 1.00 1.00 O ATOM 0 H GLY A 79 10.434 -6.682 3.481 1.00 1.00 H new ATOM 0 HA2 GLY A 79 8.512 -8.480 4.445 1.00 1.00 H new ATOM 0 HA3 GLY A 79 10.241 -8.538 4.728 1.00 1.00 H new ATOM 1077 N GLU A 80 9.821 -6.481 6.707 1.00 1.00 N ATOM 1078 CA GLU A 80 9.690 -6.016 8.082 1.00 1.00 C ATOM 1079 C GLU A 80 8.339 -5.333 8.288 1.00 1.00 C ATOM 1080 O GLU A 80 7.781 -5.353 9.385 1.00 1.00 O ATOM 1081 CB GLU A 80 10.839 -5.062 8.434 1.00 1.00 C ATOM 1082 CG GLU A 80 10.621 -3.628 7.976 1.00 1.00 C ATOM 1083 CD GLU A 80 11.735 -2.699 8.418 1.00 1.00 C ATOM 1084 OE1 GLU A 80 12.860 -2.829 7.891 1.00 1.00 O ATOM 1085 OE2 GLU A 80 11.482 -1.842 9.290 1.00 1.00 O ATOM 0 H GLU A 80 10.472 -5.939 6.139 1.00 1.00 H new ATOM 0 HA GLU A 80 9.742 -6.878 8.748 1.00 1.00 H new ATOM 0 HB2 GLU A 80 10.984 -5.069 9.514 1.00 1.00 H new ATOM 0 HB3 GLU A 80 11.759 -5.439 7.987 1.00 1.00 H new ATOM 0 HG2 GLU A 80 10.544 -3.605 6.889 1.00 1.00 H new ATOM 0 HG3 GLU A 80 9.672 -3.265 8.370 1.00 1.00 H new ATOM 1092 N LEU A 81 7.820 -4.733 7.220 1.00 1.00 N ATOM 1093 CA LEU A 81 6.535 -4.046 7.273 1.00 1.00 C ATOM 1094 C LEU A 81 5.395 -5.045 7.430 1.00 1.00 C ATOM 1095 O LEU A 81 4.663 -5.019 8.419 1.00 1.00 O ATOM 1096 CB LEU A 81 6.327 -3.220 6.003 1.00 1.00 C ATOM 1097 CG LEU A 81 4.988 -2.485 5.919 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.891 -1.424 7.004 1.00 1.00 C ATOM 1099 CD2 LEU A 81 4.810 -1.861 4.543 1.00 1.00 C ATOM 0 H LEU A 81 8.272 -4.709 6.306 1.00 1.00 H new ATOM 0 HA LEU A 81 6.538 -3.382 8.137 1.00 1.00 H new ATOM 0 HB2 LEU A 81 7.131 -2.488 5.929 1.00 1.00 H new ATOM 0 HB3 LEU A 81 6.416 -3.880 5.140 1.00 1.00 H new ATOM 0 HG LEU A 81 4.188 -3.208 6.076 1.00 1.00 H new ATOM 0 HD11 LEU A 81 3.932 -0.912 6.928 1.00 1.00 H new ATOM 0 HD12 LEU A 81 4.974 -1.896 7.983 1.00 1.00 H new ATOM 0 HD13 LEU A 81 5.698 -0.702 6.880 1.00 1.00 H new ATOM 0 HD21 LEU A 81 3.852 -1.342 4.500 1.00 1.00 H new ATOM 0 HD22 LEU A 81 5.616 -1.151 4.358 1.00 1.00 H new ATOM 0 HD23 LEU A 81 4.834 -2.642 3.783 1.00 1.00 H new ATOM 1111 N PHE A 82 5.252 -5.925 6.446 1.00 1.00 N ATOM 1112 CA PHE A 82 4.202 -6.937 6.471 1.00 1.00 C ATOM 1113 C PHE A 82 4.415 -7.917 7.620 1.00 1.00 C ATOM 1114 O PHE A 82 3.463 -8.510 8.127 1.00 1.00 O ATOM 1115 CB PHE A 82 4.160 -7.695 5.141 1.00 1.00 C ATOM 1116 CG PHE A 82 3.977 -6.808 3.940 1.00 1.00 C ATOM 1117 CD1 PHE A 82 3.219 -5.650 4.021 1.00 1.00 C ATOM 1118 CD2 PHE A 82 4.564 -7.136 2.728 1.00 1.00 C ATOM 1119 CE1 PHE A 82 3.051 -4.836 2.917 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.398 -6.326 1.620 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.641 -5.175 1.715 1.00 1.00 C ATOM 0 H PHE A 82 5.850 -5.958 5.620 1.00 1.00 H new ATOM 0 HA PHE A 82 3.249 -6.429 6.622 1.00 1.00 H new ATOM 0 HB2 PHE A 82 5.085 -8.259 5.026 1.00 1.00 H new ATOM 0 HB3 PHE A 82 3.347 -8.420 5.173 1.00 1.00 H new ATOM 0 HD1 PHE A 82 2.754 -5.381 4.958 1.00 1.00 H new ATOM 0 HD2 PHE A 82 5.158 -8.035 2.648 1.00 1.00 H new ATOM 0 HE1 PHE A 82 2.459 -3.936 2.994 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.860 -6.593 0.681 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.510 -4.541 0.851 1.00 1.00 H new ATOM 1131 N GLY A 83 5.670 -8.083 8.028 1.00 1.00 N ATOM 1132 CA GLY A 83 5.983 -8.992 9.115 1.00 1.00 C ATOM 1133 C GLY A 83 6.188 -10.417 8.639 1.00 1.00 C ATOM 1134 O GLY A 83 5.916 -11.368 9.372 1.00 1.00 O ATOM 0 H GLY A 83 6.475 -7.604 7.625 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.884 -8.649 9.623 1.00 1.00 H new ATOM 0 HA3 GLY A 83 5.176 -8.969 9.847 1.00 1.00 H new ATOM 1138 N VAL A 84 6.669 -10.565 7.409 1.00 1.00 N ATOM 1139 CA VAL A 84 6.911 -11.884 6.838 1.00 1.00 C ATOM 1140 C VAL A 84 8.177 -11.892 5.989 1.00 1.00 C ATOM 1141 O VAL A 84 8.602 -10.855 5.480 1.00 1.00 O ATOM 1142 CB VAL A 84 5.724 -12.348 5.972 1.00 1.00 C ATOM 1143 CG1 VAL A 84 4.480 -12.537 6.827 1.00 1.00 C ATOM 1144 CG2 VAL A 84 5.463 -11.357 4.848 1.00 1.00 C ATOM 0 H VAL A 84 6.899 -9.788 6.789 1.00 1.00 H new ATOM 0 HA VAL A 84 7.033 -12.572 7.674 1.00 1.00 H new ATOM 0 HB VAL A 84 5.978 -13.309 5.525 1.00 1.00 H new ATOM 0 HG11 VAL A 84 3.652 -12.865 6.198 1.00 1.00 H new ATOM 0 HG12 VAL A 84 4.675 -13.289 7.591 1.00 1.00 H new ATOM 0 HG13 VAL A 84 4.220 -11.593 7.305 1.00 1.00 H new ATOM 0 HG21 VAL A 84 4.621 -11.702 4.247 1.00 1.00 H new ATOM 0 HG22 VAL A 84 5.231 -10.380 5.271 1.00 1.00 H new ATOM 0 HG23 VAL A 84 6.350 -11.278 4.219 1.00 1.00 H new ATOM 1154 N GLN A 85 8.778 -13.068 5.842 1.00 1.00 N ATOM 1155 CA GLN A 85 9.995 -13.213 5.058 1.00 1.00 C ATOM 1156 C GLN A 85 9.669 -13.416 3.581 1.00 1.00 C ATOM 1157 O GLN A 85 10.407 -12.967 2.705 1.00 1.00 O ATOM 1158 CB GLN A 85 10.818 -14.391 5.582 1.00 1.00 C ATOM 1159 CG GLN A 85 12.086 -14.647 4.788 1.00 1.00 C ATOM 1160 CD GLN A 85 12.673 -16.019 5.051 1.00 1.00 C ATOM 1161 OE1 GLN A 85 12.333 -16.675 6.035 1.00 1.00 O ATOM 1162 NE2 GLN A 85 13.562 -16.461 4.169 1.00 1.00 N ATOM 0 H GLN A 85 8.439 -13.936 6.258 1.00 1.00 H new ATOM 0 HA GLN A 85 10.578 -12.298 5.156 1.00 1.00 H new ATOM 0 HB2 GLN A 85 11.082 -14.204 6.623 1.00 1.00 H new ATOM 0 HB3 GLN A 85 10.202 -15.290 5.566 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.870 -14.546 3.724 1.00 1.00 H new ATOM 0 HG3 GLN A 85 12.826 -13.886 5.037 1.00 1.00 H new ATOM 0 HE21 GLN A 85 13.815 -15.884 3.367 1.00 1.00 H new ATOM 0 HE22 GLN A 85 13.992 -17.378 4.294 1.00 1.00 H new ATOM 1171 N GLU A 86 8.559 -14.097 3.313 1.00 1.00 N ATOM 1172 CA GLU A 86 8.138 -14.360 1.942 1.00 1.00 C ATOM 1173 C GLU A 86 6.626 -14.227 1.799 1.00 1.00 C ATOM 1174 O GLU A 86 5.885 -14.376 2.771 1.00 1.00 O ATOM 1175 CB GLU A 86 8.582 -15.758 1.509 1.00 1.00 C ATOM 1176 CG GLU A 86 8.023 -16.871 2.379 1.00 1.00 C ATOM 1177 CD GLU A 86 9.058 -17.929 2.710 1.00 1.00 C ATOM 1178 OE1 GLU A 86 10.009 -18.096 1.918 1.00 1.00 O ATOM 1179 OE2 GLU A 86 8.916 -18.591 3.759 1.00 1.00 O ATOM 0 H GLU A 86 7.936 -14.476 4.026 1.00 1.00 H new ATOM 0 HA GLU A 86 8.611 -13.620 1.297 1.00 1.00 H new ATOM 0 HB2 GLU A 86 8.273 -15.925 0.477 1.00 1.00 H new ATOM 0 HB3 GLU A 86 9.671 -15.806 1.527 1.00 1.00 H new ATOM 0 HG2 GLU A 86 7.636 -16.444 3.304 1.00 1.00 H new ATOM 0 HG3 GLU A 86 7.182 -17.339 1.868 1.00 1.00 H new ATOM 1186 N PHE A 87 6.175 -13.948 0.581 1.00 1.00 N ATOM 1187 CA PHE A 87 4.750 -13.795 0.310 1.00 1.00 C ATOM 1188 C PHE A 87 4.462 -13.929 -1.182 1.00 1.00 C ATOM 1189 O PHE A 87 5.022 -13.199 -2.000 1.00 1.00 O ATOM 1190 CB PHE A 87 4.254 -12.440 0.818 1.00 1.00 C ATOM 1191 CG PHE A 87 4.863 -11.268 0.100 1.00 1.00 C ATOM 1192 CD1 PHE A 87 6.042 -10.698 0.553 1.00 1.00 C ATOM 1193 CD2 PHE A 87 4.255 -10.738 -1.026 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.603 -9.620 -0.105 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.811 -9.660 -1.689 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.987 -9.101 -1.228 1.00 1.00 C ATOM 0 H PHE A 87 6.775 -13.823 -0.234 1.00 1.00 H new ATOM 0 HA PHE A 87 4.219 -14.588 0.837 1.00 1.00 H new ATOM 0 HB2 PHE A 87 3.170 -12.397 0.713 1.00 1.00 H new ATOM 0 HB3 PHE A 87 4.474 -12.358 1.882 1.00 1.00 H new ATOM 0 HD1 PHE A 87 6.528 -11.101 1.430 1.00 1.00 H new ATOM 0 HD2 PHE A 87 3.336 -11.172 -1.390 1.00 1.00 H new ATOM 0 HE1 PHE A 87 7.522 -9.184 0.258 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.327 -9.256 -2.566 1.00 1.00 H new ATOM 0 HZ PHE A 87 6.425 -8.259 -1.744 1.00 1.00 H new ATOM 1206 N SER A 88 3.583 -14.863 -1.529 1.00 1.00 N ATOM 1207 CA SER A 88 3.219 -15.088 -2.922 1.00 1.00 C ATOM 1208 C SER A 88 2.180 -14.070 -3.379 1.00 1.00 C ATOM 1209 O SER A 88 1.078 -14.008 -2.834 1.00 1.00 O ATOM 1210 CB SER A 88 2.677 -16.507 -3.107 1.00 1.00 C ATOM 1211 OG SER A 88 2.047 -16.652 -4.368 1.00 1.00 O ATOM 0 H SER A 88 3.110 -15.476 -0.865 1.00 1.00 H new ATOM 0 HA SER A 88 4.114 -14.968 -3.532 1.00 1.00 H new ATOM 0 HB2 SER A 88 3.492 -17.225 -3.020 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.965 -16.734 -2.313 1.00 1.00 H new ATOM 0 HG SER A 88 1.711 -17.568 -4.462 1.00 1.00 H new ATOM 1217 N VAL A 89 2.537 -13.272 -4.380 1.00 1.00 N ATOM 1218 CA VAL A 89 1.632 -12.255 -4.903 1.00 1.00 C ATOM 1219 C VAL A 89 0.371 -12.879 -5.498 1.00 1.00 C ATOM 1220 O VAL A 89 -0.627 -12.190 -5.713 1.00 1.00 O ATOM 1221 CB VAL A 89 2.310 -11.377 -5.973 1.00 1.00 C ATOM 1222 CG1 VAL A 89 3.181 -10.320 -5.317 1.00 1.00 C ATOM 1223 CG2 VAL A 89 3.124 -12.224 -6.939 1.00 1.00 C ATOM 0 H VAL A 89 3.444 -13.310 -4.844 1.00 1.00 H new ATOM 0 HA VAL A 89 1.357 -11.628 -4.055 1.00 1.00 H new ATOM 0 HB VAL A 89 1.530 -10.875 -6.546 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.653 -9.708 -6.086 1.00 1.00 H new ATOM 0 HG12 VAL A 89 2.566 -9.687 -4.677 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.951 -10.804 -4.716 1.00 1.00 H new ATOM 0 HG21 VAL A 89 3.591 -11.579 -7.683 1.00 1.00 H new ATOM 0 HG22 VAL A 89 3.896 -12.762 -6.389 1.00 1.00 H new ATOM 0 HG23 VAL A 89 2.469 -12.938 -7.438 1.00 1.00 H new ATOM 1233 N LYS A 90 0.416 -14.184 -5.761 1.00 1.00 N ATOM 1234 CA LYS A 90 -0.728 -14.890 -6.330 1.00 1.00 C ATOM 1235 C LYS A 90 -1.998 -14.609 -5.530 1.00 1.00 C ATOM 1236 O LYS A 90 -3.089 -14.514 -6.092 1.00 1.00 O ATOM 1237 CB LYS A 90 -0.458 -16.396 -6.364 1.00 1.00 C ATOM 1238 CG LYS A 90 -1.402 -17.163 -7.276 1.00 1.00 C ATOM 1239 CD LYS A 90 -1.124 -16.868 -8.741 1.00 1.00 C ATOM 1240 CE LYS A 90 -1.956 -17.753 -9.655 1.00 1.00 C ATOM 1241 NZ LYS A 90 -1.758 -17.411 -11.090 1.00 1.00 N ATOM 0 H LYS A 90 1.231 -14.772 -5.589 1.00 1.00 H new ATOM 0 HA LYS A 90 -0.875 -14.529 -7.348 1.00 1.00 H new ATOM 0 HB2 LYS A 90 0.568 -16.565 -6.691 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -0.540 -16.794 -5.353 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -1.297 -18.232 -7.093 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -2.433 -16.898 -7.040 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -1.342 -15.821 -8.950 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -0.065 -17.021 -8.950 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -1.689 -18.797 -9.491 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -3.010 -17.649 -9.399 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -2.343 -18.037 -11.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -2.036 -16.422 -11.253 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -0.756 -17.534 -11.341 1.00 1.00 H new ATOM 1255 N GLU A 91 -1.845 -14.471 -4.217 1.00 1.00 N ATOM 1256 CA GLU A 91 -2.978 -14.195 -3.340 1.00 1.00 C ATOM 1257 C GLU A 91 -3.156 -12.693 -3.147 1.00 1.00 C ATOM 1258 O GLU A 91 -2.697 -12.124 -2.156 1.00 1.00 O ATOM 1259 CB GLU A 91 -2.782 -14.877 -1.985 1.00 1.00 C ATOM 1260 CG GLU A 91 -3.055 -16.373 -2.012 1.00 1.00 C ATOM 1261 CD GLU A 91 -3.644 -16.882 -0.712 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -2.898 -16.961 0.287 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -4.851 -17.201 -0.691 1.00 1.00 O ATOM 0 H GLU A 91 -0.948 -14.546 -3.737 1.00 1.00 H new ATOM 0 HA GLU A 91 -3.877 -14.594 -3.809 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -1.759 -14.709 -1.647 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -3.440 -14.409 -1.253 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -3.740 -16.599 -2.830 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -2.126 -16.904 -2.218 1.00 1.00 H new ATOM 1270 N HIS A 92 -3.822 -12.055 -4.104 1.00 1.00 N ATOM 1271 CA HIS A 92 -4.060 -10.617 -4.047 1.00 1.00 C ATOM 1272 C HIS A 92 -4.802 -10.231 -2.771 1.00 1.00 C ATOM 1273 O HIS A 92 -4.605 -9.142 -2.233 1.00 1.00 O ATOM 1274 CB HIS A 92 -4.858 -10.166 -5.271 1.00 1.00 C ATOM 1275 CG HIS A 92 -4.051 -10.130 -6.532 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -4.613 -9.980 -7.782 1.00 1.00 N ATOM 1277 CD2 HIS A 92 -2.714 -10.224 -6.731 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -3.658 -9.985 -8.696 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -2.497 -10.131 -8.084 1.00 1.00 N ATOM 0 H HIS A 92 -4.207 -12.512 -4.930 1.00 1.00 H new ATOM 0 HA HIS A 92 -3.092 -10.115 -4.043 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.705 -10.838 -5.410 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -5.267 -9.173 -5.082 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -1.960 -10.349 -5.968 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -3.803 -9.886 -9.762 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -1.586 -10.169 -8.542 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.656 -11.130 -2.292 1.00 1.00 N ATOM 1289 CA ARG A 93 -6.427 -10.880 -1.080 1.00 1.00 C ATOM 1290 C ARG A 93 -5.507 -10.656 0.117 1.00 1.00 C ATOM 1291 O ARG A 93 -5.808 -9.855 1.002 1.00 1.00 O ATOM 1292 CB ARG A 93 -7.372 -12.051 -0.801 1.00 1.00 C ATOM 1293 CG ARG A 93 -8.756 -11.872 -1.403 1.00 1.00 C ATOM 1294 CD ARG A 93 -9.381 -13.209 -1.769 1.00 1.00 C ATOM 1295 NE ARG A 93 -10.080 -13.815 -0.639 1.00 1.00 N ATOM 1296 CZ ARG A 93 -10.459 -15.090 -0.599 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -10.208 -15.897 -1.623 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -11.090 -15.561 0.469 1.00 1.00 N ATOM 0 H ARG A 93 -5.831 -12.037 -2.724 1.00 1.00 H new ATOM 0 HA ARG A 93 -7.016 -9.976 -1.235 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -6.929 -12.966 -1.194 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -7.468 -12.181 0.277 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -9.398 -11.351 -0.693 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -8.689 -11.245 -2.292 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -10.079 -13.069 -2.594 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -8.604 -13.888 -2.121 1.00 1.00 H new ATOM 0 HE ARG A 93 -10.290 -13.226 0.167 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -9.722 -15.541 -2.446 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -10.501 -16.873 -1.587 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -11.284 -14.946 1.259 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -11.381 -16.538 0.500 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.387 -11.370 0.138 1.00 1.00 N ATOM 1313 CA ARG A 94 -3.425 -11.251 1.228 1.00 1.00 C ATOM 1314 C ARG A 94 -2.717 -9.900 1.187 1.00 1.00 C ATOM 1315 O ARG A 94 -2.637 -9.200 2.197 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.398 -12.384 1.154 1.00 1.00 C ATOM 1317 CG ARG A 94 -2.599 -13.456 2.213 1.00 1.00 C ATOM 1318 CD ARG A 94 -2.264 -12.937 3.603 1.00 1.00 C ATOM 1319 NE ARG A 94 -3.465 -12.630 4.376 1.00 1.00 N ATOM 1320 CZ ARG A 94 -3.474 -11.850 5.455 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -2.349 -11.296 5.891 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -4.610 -11.623 6.099 1.00 1.00 N ATOM 0 H ARG A 94 -4.123 -12.037 -0.587 1.00 1.00 H new ATOM 0 HA ARG A 94 -3.969 -11.324 2.170 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -2.448 -12.845 0.168 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.398 -11.964 1.259 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.633 -13.801 2.192 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -1.971 -14.317 1.984 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.671 -13.681 4.135 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.649 -12.041 3.517 1.00 1.00 H new ATOM 0 HE ARG A 94 -4.349 -13.037 4.071 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -1.472 -11.467 5.399 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -2.362 -10.699 6.718 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.477 -12.046 5.768 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -4.617 -11.025 6.926 1.00 1.00 H new ATOM 1336 N ILE A 95 -2.204 -9.539 0.016 1.00 1.00 N ATOM 1337 CA ILE A 95 -1.501 -8.273 -0.153 1.00 1.00 C ATOM 1338 C ILE A 95 -2.404 -7.091 0.188 1.00 1.00 C ATOM 1339 O ILE A 95 -2.125 -6.330 1.114 1.00 1.00 O ATOM 1340 CB ILE A 95 -0.976 -8.110 -1.592 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.130 -9.324 -1.983 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -0.168 -6.825 -1.721 1.00 1.00 C ATOM 1343 CD1 ILE A 95 0.548 -9.184 -3.326 1.00 1.00 C ATOM 0 H ILE A 95 -2.262 -10.105 -0.830 1.00 1.00 H new ATOM 0 HA ILE A 95 -0.655 -8.287 0.534 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.826 -8.046 -2.272 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.629 -9.489 -1.218 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.766 -10.209 -1.997 1.00 1.00 H new ATOM 0 HG21 ILE A 95 0.196 -6.725 -2.744 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -0.800 -5.972 -1.476 1.00 1.00 H new ATOM 0 HG23 ILE A 95 0.679 -6.858 -1.036 1.00 1.00 H new ATOM 0 HD11 ILE A 95 1.129 -10.082 -3.536 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -0.206 -9.050 -4.102 1.00 1.00 H new ATOM 0 HD13 ILE A 95 1.210 -8.318 -3.311 1.00 1.00 H new ATOM 1355 N TYR A 96 -3.489 -6.944 -0.566 1.00 1.00 N ATOM 1356 CA TYR A 96 -4.438 -5.855 -0.347 1.00 1.00 C ATOM 1357 C TYR A 96 -4.876 -5.791 1.115 1.00 1.00 C ATOM 1358 O TYR A 96 -5.258 -4.732 1.612 1.00 1.00 O ATOM 1359 CB TYR A 96 -5.660 -6.038 -1.249 1.00 1.00 C ATOM 1360 CG TYR A 96 -6.523 -4.802 -1.364 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -6.289 -3.857 -2.356 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -7.575 -4.583 -0.484 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -7.079 -2.728 -2.465 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -8.370 -3.458 -0.587 1.00 1.00 C ATOM 1365 CZ TYR A 96 -8.117 -2.534 -1.579 1.00 1.00 C ATOM 1366 OH TYR A 96 -8.907 -1.412 -1.685 1.00 1.00 O ATOM 0 H TYR A 96 -3.734 -7.566 -1.336 1.00 1.00 H new ATOM 0 HA TYR A 96 -3.941 -4.917 -0.595 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -5.325 -6.330 -2.244 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -6.265 -6.858 -0.863 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -5.477 -4.007 -3.052 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -7.775 -5.305 0.294 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -6.884 -2.002 -3.240 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -9.185 -3.303 0.105 1.00 1.00 H new ATOM 0 HH TYR A 96 -9.593 -1.428 -0.986 1.00 1.00 H new ATOM 1376 N ALA A 97 -4.820 -6.931 1.797 1.00 1.00 N ATOM 1377 CA ALA A 97 -5.213 -7.003 3.199 1.00 1.00 C ATOM 1378 C ALA A 97 -4.101 -6.504 4.117 1.00 1.00 C ATOM 1379 O ALA A 97 -4.323 -5.630 4.955 1.00 1.00 O ATOM 1380 CB ALA A 97 -5.599 -8.429 3.564 1.00 1.00 C ATOM 0 H ALA A 97 -4.506 -7.817 1.401 1.00 1.00 H new ATOM 0 HA ALA A 97 -6.077 -6.353 3.338 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -5.891 -8.470 4.614 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -6.435 -8.750 2.942 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -4.748 -9.090 3.398 1.00 1.00 H new ATOM 1386 N MET A 98 -2.907 -7.069 3.962 1.00 1.00 N ATOM 1387 CA MET A 98 -1.768 -6.681 4.787 1.00 1.00 C ATOM 1388 C MET A 98 -1.395 -5.217 4.559 1.00 1.00 C ATOM 1389 O MET A 98 -1.039 -4.505 5.498 1.00 1.00 O ATOM 1390 CB MET A 98 -0.568 -7.595 4.505 1.00 1.00 C ATOM 1391 CG MET A 98 0.203 -7.246 3.241 1.00 1.00 C ATOM 1392 SD MET A 98 1.050 -8.673 2.534 1.00 1.00 S ATOM 1393 CE MET A 98 1.881 -7.922 1.137 1.00 1.00 C ATOM 0 H MET A 98 -2.704 -7.795 3.275 1.00 1.00 H new ATOM 0 HA MET A 98 -2.054 -6.793 5.833 1.00 1.00 H new ATOM 0 HB2 MET A 98 0.113 -7.553 5.355 1.00 1.00 H new ATOM 0 HB3 MET A 98 -0.920 -8.624 4.429 1.00 1.00 H new ATOM 0 HG2 MET A 98 -0.484 -6.832 2.503 1.00 1.00 H new ATOM 0 HG3 MET A 98 0.933 -6.469 3.467 1.00 1.00 H new ATOM 0 HE1 MET A 98 1.440 -8.290 0.211 1.00 1.00 H new ATOM 0 HE2 MET A 98 1.769 -6.839 1.187 1.00 1.00 H new ATOM 0 HE3 MET A 98 2.940 -8.179 1.162 1.00 1.00 H new ATOM 1403 N ILE A 99 -1.483 -4.773 3.310 1.00 1.00 N ATOM 1404 CA ILE A 99 -1.159 -3.393 2.969 1.00 1.00 C ATOM 1405 C ILE A 99 -2.220 -2.437 3.502 1.00 1.00 C ATOM 1406 O ILE A 99 -1.924 -1.291 3.841 1.00 1.00 O ATOM 1407 CB ILE A 99 -1.029 -3.203 1.445 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -2.319 -3.631 0.742 1.00 1.00 C ATOM 1409 CG2 ILE A 99 0.160 -3.989 0.913 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -3.180 -2.469 0.300 1.00 1.00 C ATOM 0 H ILE A 99 -1.775 -5.347 2.519 1.00 1.00 H new ATOM 0 HA ILE A 99 -0.200 -3.167 3.435 1.00 1.00 H new ATOM 0 HB ILE A 99 -0.861 -2.146 1.238 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -2.065 -4.236 -0.128 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -2.896 -4.265 1.414 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.239 -3.845 -0.165 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.073 -3.638 1.394 1.00 1.00 H new ATOM 0 HG23 ILE A 99 0.021 -5.049 1.128 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -4.077 -2.847 -0.190 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -3.464 -1.875 1.169 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.620 -1.846 -0.398 1.00 1.00 H new ATOM 1422 N SER A 100 -3.458 -2.917 3.576 1.00 1.00 N ATOM 1423 CA SER A 100 -4.563 -2.106 4.073 1.00 1.00 C ATOM 1424 C SER A 100 -4.397 -1.820 5.562 1.00 1.00 C ATOM 1425 O SER A 100 -4.623 -0.700 6.019 1.00 1.00 O ATOM 1426 CB SER A 100 -5.896 -2.813 3.822 1.00 1.00 C ATOM 1427 OG SER A 100 -6.938 -2.222 4.579 1.00 1.00 O ATOM 0 H SER A 100 -3.720 -3.863 3.298 1.00 1.00 H new ATOM 0 HA SER A 100 -4.558 -1.158 3.535 1.00 1.00 H new ATOM 0 HB2 SER A 100 -6.142 -2.766 2.761 1.00 1.00 H new ATOM 0 HB3 SER A 100 -5.806 -3.868 4.082 1.00 1.00 H new ATOM 0 HG SER A 100 -7.779 -2.691 4.399 1.00 1.00 H new ATOM 1433 N ARG A 101 -3.997 -2.842 6.312 1.00 1.00 N ATOM 1434 CA ARG A 101 -3.796 -2.702 7.750 1.00 1.00 C ATOM 1435 C ARG A 101 -2.578 -1.831 8.053 1.00 1.00 C ATOM 1436 O ARG A 101 -2.408 -1.357 9.176 1.00 1.00 O ATOM 1437 CB ARG A 101 -3.624 -4.077 8.399 1.00 1.00 C ATOM 1438 CG ARG A 101 -4.671 -5.091 7.967 1.00 1.00 C ATOM 1439 CD ARG A 101 -4.070 -6.479 7.811 1.00 1.00 C ATOM 1440 NE ARG A 101 -4.117 -7.240 9.057 1.00 1.00 N ATOM 1441 CZ ARG A 101 -5.209 -7.851 9.512 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -6.345 -7.792 8.828 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -5.165 -8.524 10.654 1.00 1.00 N ATOM 0 H ARG A 101 -3.806 -3.776 5.948 1.00 1.00 H new ATOM 0 HA ARG A 101 -4.679 -2.216 8.166 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -2.634 -4.463 8.155 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -3.664 -3.965 9.483 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -5.475 -5.122 8.703 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -5.115 -4.777 7.022 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -4.609 -7.022 7.034 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -3.036 -6.391 7.479 1.00 1.00 H new ATOM 0 HE ARG A 101 -3.263 -7.307 9.611 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -6.385 -7.277 7.949 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -7.178 -8.262 9.182 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -4.295 -8.573 11.184 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -6.001 -8.992 11.003 1.00 1.00 H new ATOM 1457 N ASN A 102 -1.730 -1.626 7.047 1.00 1.00 N ATOM 1458 CA ASN A 102 -0.529 -0.816 7.214 1.00 1.00 C ATOM 1459 C ASN A 102 -0.771 0.630 6.787 1.00 1.00 C ATOM 1460 O ASN A 102 0.140 1.306 6.307 1.00 1.00 O ATOM 1461 CB ASN A 102 0.624 -1.413 6.405 1.00 1.00 C ATOM 1462 CG ASN A 102 1.099 -2.736 6.974 1.00 1.00 C ATOM 1463 OD1 ASN A 102 0.767 -3.093 8.104 1.00 1.00 O ATOM 1464 ND2 ASN A 102 1.882 -3.471 6.193 1.00 1.00 N ATOM 0 H ASN A 102 -1.854 -2.010 6.110 1.00 1.00 H new ATOM 0 HA ASN A 102 -0.267 -0.817 8.272 1.00 1.00 H new ATOM 0 HB2 ASN A 102 0.305 -1.557 5.373 1.00 1.00 H new ATOM 0 HB3 ASN A 102 1.455 -0.708 6.386 1.00 1.00 H new ATOM 0 HD21 ASN A 102 2.233 -4.370 6.524 1.00 1.00 H new ATOM 0 HD22 ASN A 102 2.133 -3.137 5.263 1.00 1.00 H new ATOM 1471 N LEU A 103 -2.001 1.102 6.969 1.00 1.00 N ATOM 1472 CA LEU A 103 -2.358 2.469 6.607 1.00 1.00 C ATOM 1473 C LEU A 103 -2.695 3.282 7.853 1.00 1.00 C ATOM 1474 O LEU A 103 -3.737 3.076 8.476 1.00 1.00 O ATOM 1475 CB LEU A 103 -3.546 2.471 5.644 1.00 1.00 C ATOM 1476 CG LEU A 103 -3.422 1.509 4.461 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -4.744 1.404 3.719 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -2.314 1.960 3.521 1.00 1.00 C ATOM 0 H LEU A 103 -2.767 0.557 7.365 1.00 1.00 H new ATOM 0 HA LEU A 103 -1.502 2.927 6.112 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -4.448 2.221 6.203 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -3.680 3.482 5.258 1.00 1.00 H new ATOM 0 HG LEU A 103 -3.165 0.522 4.845 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -4.637 0.716 2.881 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -5.513 1.034 4.397 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -5.031 2.387 3.347 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -2.240 1.264 2.685 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -2.540 2.957 3.144 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -1.367 1.982 4.060 1.00 1.00 H new ATOM 1490 N VAL A 104 -1.805 4.201 8.216 1.00 1.00 N ATOM 1491 CA VAL A 104 -2.011 5.034 9.395 1.00 1.00 C ATOM 1492 C VAL A 104 -3.178 6.000 9.205 1.00 1.00 C ATOM 1493 O VAL A 104 -4.103 6.032 10.017 1.00 1.00 O ATOM 1494 CB VAL A 104 -0.740 5.831 9.761 1.00 1.00 C ATOM 1495 CG1 VAL A 104 0.375 4.888 10.185 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.288 6.711 8.603 1.00 1.00 C ATOM 0 H VAL A 104 -0.938 4.387 7.713 1.00 1.00 H new ATOM 0 HA VAL A 104 -2.246 4.354 10.214 1.00 1.00 H new ATOM 0 HB VAL A 104 -0.982 6.483 10.600 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.263 5.466 10.439 1.00 1.00 H new ATOM 0 HG12 VAL A 104 0.055 4.313 11.054 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.607 4.208 9.366 1.00 1.00 H new ATOM 0 HG21 VAL A 104 0.609 7.259 8.891 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -0.069 6.088 7.736 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -1.080 7.417 8.352 1.00 1.00 H new