USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 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 : amide:sc= -0.729 K(o=-1.1,f=1.9) USER MOD Set 1.2: A 63 TYR OH : rot 165:sc= -0.328 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.4!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -89:sc= 0.0932 USER MOD Single : A 32 SER OG : rot 180:sc= 0.131 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -0.423 (180deg=-1.32!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 46 MET CE :methyl -122:sc= -4.08 (180deg=-7.01!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -5.33! C(o=-5.3!,f=-4!) USER MOD Single : A 55 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.76) USER MOD Single : A 56 TYR OH : rot -140:sc= -0.454 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.391 (180deg=-1.24!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.97 K(o=-3,f=-5.6!) USER MOD Single : A 68 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.16) USER MOD Single : A 69 HIS : no HD1:sc= -1.99 K(o=-2,f=-3.7!) USER MOD Single : A 72 HIS : no HD1:sc= -2.63 X(o=-2.6,f=-2.5) USER MOD Single : A 73 CYS SG : rot -130:sc= -3.91! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.88) 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= -0.978 K(o=-0.98,f=-0.4) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -7.167 11.399 6.036 1.00 1.00 N ATOM 157 CA LEU A 23 -6.956 10.456 4.943 1.00 1.00 C ATOM 158 C LEU A 23 -5.608 10.693 4.270 1.00 1.00 C ATOM 159 O LEU A 23 -4.972 11.727 4.477 1.00 1.00 O ATOM 160 CB LEU A 23 -8.082 10.568 3.907 1.00 1.00 C ATOM 161 CG LEU A 23 -9.444 11.009 4.461 1.00 1.00 C ATOM 162 CD1 LEU A 23 -9.816 12.386 3.934 1.00 1.00 C ATOM 163 CD2 LEU A 23 -10.523 9.995 4.106 1.00 1.00 C ATOM 0 HA LEU A 23 -6.962 9.451 5.365 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -7.775 11.276 3.137 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -8.203 9.600 3.420 1.00 1.00 H new ATOM 0 HG LEU A 23 -9.368 11.064 5.547 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.784 12.681 4.338 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -9.060 13.109 4.240 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.871 12.357 2.846 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.480 10.327 4.508 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.596 9.906 3.022 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -10.266 9.026 4.533 1.00 1.00 H new ATOM 175 N VAL A 24 -5.183 9.732 3.457 1.00 1.00 N ATOM 176 CA VAL A 24 -3.916 9.836 2.743 1.00 1.00 C ATOM 177 C VAL A 24 -4.148 9.785 1.236 1.00 1.00 C ATOM 178 O VAL A 24 -5.224 9.397 0.782 1.00 1.00 O ATOM 179 CB VAL A 24 -2.930 8.721 3.153 1.00 1.00 C ATOM 180 CG1 VAL A 24 -2.114 9.159 4.360 1.00 1.00 C ATOM 181 CG2 VAL A 24 -3.663 7.416 3.441 1.00 1.00 C ATOM 0 H VAL A 24 -5.699 8.871 3.276 1.00 1.00 H new ATOM 0 HA VAL A 24 -3.473 10.795 3.013 1.00 1.00 H new ATOM 0 HB VAL A 24 -2.251 8.542 2.319 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.422 8.364 4.639 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.551 10.059 4.112 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.783 9.368 5.195 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -2.943 6.650 3.727 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -4.372 7.569 4.254 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -4.199 7.095 2.548 1.00 1.00 H new ATOM 191 N GLN A 25 -3.146 10.192 0.461 1.00 1.00 N ATOM 192 CA GLN A 25 -3.271 10.201 -0.992 1.00 1.00 C ATOM 193 C GLN A 25 -2.278 9.245 -1.651 1.00 1.00 C ATOM 194 O GLN A 25 -1.120 9.594 -1.870 1.00 1.00 O ATOM 195 CB GLN A 25 -3.060 11.619 -1.526 1.00 1.00 C ATOM 196 CG GLN A 25 -3.328 11.754 -3.015 1.00 1.00 C ATOM 197 CD GLN A 25 -4.716 12.288 -3.311 1.00 1.00 C ATOM 198 OE1 GLN A 25 -5.554 11.590 -3.882 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.966 13.533 -2.923 1.00 1.00 N ATOM 0 H GLN A 25 -2.245 10.517 0.812 1.00 1.00 H new ATOM 0 HA GLN A 25 -4.277 9.861 -1.241 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -3.713 12.303 -0.984 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -2.035 11.927 -1.320 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -2.585 12.419 -3.455 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -3.207 10.781 -3.492 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -4.242 14.076 -2.453 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -5.882 13.947 -3.095 1.00 1.00 H new ATOM 208 N PRO A 26 -2.722 8.021 -1.985 1.00 1.00 N ATOM 209 CA PRO A 26 -1.867 7.019 -2.633 1.00 1.00 C ATOM 210 C PRO A 26 -1.362 7.490 -3.992 1.00 1.00 C ATOM 211 O PRO A 26 -2.136 7.984 -4.812 1.00 1.00 O ATOM 212 CB PRO A 26 -2.795 5.810 -2.814 1.00 1.00 C ATOM 213 CG PRO A 26 -3.902 6.027 -1.841 1.00 1.00 C ATOM 214 CD PRO A 26 -4.086 7.514 -1.764 1.00 1.00 C ATOM 0 HA PRO A 26 -0.976 6.807 -2.042 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -3.172 5.751 -3.835 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -2.270 4.876 -2.614 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -4.817 5.536 -2.172 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -3.653 5.612 -0.865 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -4.780 7.876 -2.522 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -4.481 7.824 -0.796 1.00 1.00 H new ATOM 222 N THR A 27 -0.064 7.329 -4.232 1.00 1.00 N ATOM 223 CA THR A 27 0.528 7.733 -5.502 1.00 1.00 C ATOM 224 C THR A 27 -0.241 7.116 -6.669 1.00 1.00 C ATOM 225 O THR A 27 -0.941 6.118 -6.499 1.00 1.00 O ATOM 226 CB THR A 27 1.997 7.311 -5.563 1.00 1.00 C ATOM 227 OG1 THR A 27 2.168 6.009 -5.034 1.00 1.00 O ATOM 228 CG2 THR A 27 2.919 8.240 -4.803 1.00 1.00 C ATOM 0 H THR A 27 0.595 6.924 -3.567 1.00 1.00 H new ATOM 0 HA THR A 27 0.470 8.819 -5.578 1.00 1.00 H new ATOM 0 HB THR A 27 2.263 7.346 -6.620 1.00 1.00 H new ATOM 0 HG1 THR A 27 2.336 6.067 -4.070 1.00 1.00 H new ATOM 0 HG21 THR A 27 3.945 7.883 -4.887 1.00 1.00 H new ATOM 0 HG22 THR A 27 2.849 9.244 -5.221 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.628 8.263 -3.753 1.00 1.00 H new ATOM 236 N PRO A 28 -0.126 7.701 -7.872 1.00 1.00 N ATOM 237 CA PRO A 28 -0.820 7.198 -9.060 1.00 1.00 C ATOM 238 C PRO A 28 -0.679 5.687 -9.218 1.00 1.00 C ATOM 239 O PRO A 28 -1.603 5.012 -9.671 1.00 1.00 O ATOM 240 CB PRO A 28 -0.123 7.928 -10.207 1.00 1.00 C ATOM 241 CG PRO A 28 0.350 9.206 -9.605 1.00 1.00 C ATOM 242 CD PRO A 28 0.686 8.897 -8.170 1.00 1.00 C ATOM 0 HA PRO A 28 -1.894 7.376 -9.014 1.00 1.00 H new ATOM 0 HB2 PRO A 28 0.708 7.344 -10.602 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -0.807 8.109 -11.036 1.00 1.00 H new ATOM 0 HG2 PRO A 28 1.223 9.586 -10.136 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -0.421 9.974 -9.667 1.00 1.00 H new ATOM 0 HD2 PRO A 28 1.750 8.701 -8.041 1.00 1.00 H new ATOM 0 HD3 PRO A 28 0.433 9.728 -7.511 1.00 1.00 H new ATOM 250 N LEU A 29 0.481 5.162 -8.837 1.00 1.00 N ATOM 251 CA LEU A 29 0.735 3.729 -8.932 1.00 1.00 C ATOM 252 C LEU A 29 -0.056 2.974 -7.870 1.00 1.00 C ATOM 253 O LEU A 29 -0.907 2.143 -8.191 1.00 1.00 O ATOM 254 CB LEU A 29 2.229 3.439 -8.779 1.00 1.00 C ATOM 255 CG LEU A 29 2.622 1.970 -8.944 1.00 1.00 C ATOM 256 CD1 LEU A 29 2.019 1.391 -10.216 1.00 1.00 C ATOM 257 CD2 LEU A 29 4.135 1.824 -8.957 1.00 1.00 C ATOM 0 H LEU A 29 1.258 5.705 -8.461 1.00 1.00 H new ATOM 0 HA LEU A 29 0.411 3.389 -9.916 1.00 1.00 H new ATOM 0 HB2 LEU A 29 2.776 4.031 -9.513 1.00 1.00 H new ATOM 0 HB3 LEU A 29 2.551 3.777 -7.794 1.00 1.00 H new ATOM 0 HG LEU A 29 2.227 1.412 -8.095 1.00 1.00 H new ATOM 0 HD11 LEU A 29 2.311 0.345 -10.314 1.00 1.00 H new ATOM 0 HD12 LEU A 29 0.932 1.461 -10.168 1.00 1.00 H new ATOM 0 HD13 LEU A 29 2.381 1.951 -11.078 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.398 0.773 -9.075 1.00 1.00 H new ATOM 0 HD22 LEU A 29 4.549 2.397 -9.787 1.00 1.00 H new ATOM 0 HD23 LEU A 29 4.545 2.197 -8.018 1.00 1.00 H new ATOM 269 N LEU A 30 0.218 3.275 -6.602 1.00 1.00 N ATOM 270 CA LEU A 30 -0.484 2.630 -5.497 1.00 1.00 C ATOM 271 C LEU A 30 -1.991 2.743 -5.698 1.00 1.00 C ATOM 272 O LEU A 30 -2.750 1.841 -5.343 1.00 1.00 O ATOM 273 CB LEU A 30 -0.077 3.264 -4.163 1.00 1.00 C ATOM 274 CG LEU A 30 -0.423 2.444 -2.915 1.00 1.00 C ATOM 275 CD1 LEU A 30 -0.007 0.991 -3.092 1.00 1.00 C ATOM 276 CD2 LEU A 30 0.242 3.044 -1.684 1.00 1.00 C ATOM 0 H LEU A 30 0.919 3.959 -6.316 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.210 1.575 -5.476 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.999 3.439 -4.176 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.557 4.239 -4.082 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.503 2.474 -2.774 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -0.262 0.428 -2.194 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -0.529 0.565 -3.949 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.069 0.938 -3.260 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.014 2.450 -0.806 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.324 3.045 -1.819 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.107 4.067 -1.544 1.00 1.00 H new ATOM 288 N LEU A 31 -2.409 3.862 -6.282 1.00 1.00 N ATOM 289 CA LEU A 31 -3.819 4.118 -6.555 1.00 1.00 C ATOM 290 C LEU A 31 -4.449 2.962 -7.331 1.00 1.00 C ATOM 291 O LEU A 31 -5.390 2.324 -6.858 1.00 1.00 O ATOM 292 CB LEU A 31 -3.966 5.419 -7.352 1.00 1.00 C ATOM 293 CG LEU A 31 -4.580 6.586 -6.580 1.00 1.00 C ATOM 294 CD1 LEU A 31 -4.666 7.822 -7.462 1.00 1.00 C ATOM 295 CD2 LEU A 31 -5.954 6.206 -6.053 1.00 1.00 C ATOM 0 H LEU A 31 -1.784 4.612 -6.578 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.339 4.212 -5.602 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.982 5.719 -7.712 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.580 5.221 -8.230 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.937 6.817 -5.731 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.106 8.643 -6.896 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.666 8.103 -7.792 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.288 7.606 -8.331 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.379 7.047 -5.505 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.606 5.950 -6.888 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.864 5.348 -5.387 1.00 1.00 H new ATOM 307 N SER A 32 -3.925 2.702 -8.527 1.00 1.00 N ATOM 308 CA SER A 32 -4.436 1.626 -9.376 1.00 1.00 C ATOM 309 C SER A 32 -4.591 0.329 -8.589 1.00 1.00 C ATOM 310 O SER A 32 -5.598 -0.366 -8.721 1.00 1.00 O ATOM 311 CB SER A 32 -3.506 1.404 -10.570 1.00 1.00 C ATOM 312 OG SER A 32 -2.721 2.556 -10.827 1.00 1.00 O ATOM 0 H SER A 32 -3.146 3.222 -8.931 1.00 1.00 H new ATOM 0 HA SER A 32 -5.419 1.925 -9.739 1.00 1.00 H new ATOM 0 HB2 SER A 32 -2.854 0.553 -10.374 1.00 1.00 H new ATOM 0 HB3 SER A 32 -4.095 1.157 -11.453 1.00 1.00 H new ATOM 0 HG SER A 32 -2.134 2.388 -11.594 1.00 1.00 H new ATOM 318 N LEU A 33 -3.599 0.007 -7.760 1.00 1.00 N ATOM 319 CA LEU A 33 -3.664 -1.209 -6.952 1.00 1.00 C ATOM 320 C LEU A 33 -4.942 -1.199 -6.124 1.00 1.00 C ATOM 321 O LEU A 33 -5.635 -2.210 -6.014 1.00 1.00 O ATOM 322 CB LEU A 33 -2.443 -1.343 -6.034 1.00 1.00 C ATOM 323 CG LEU A 33 -1.157 -0.679 -6.538 1.00 1.00 C ATOM 324 CD1 LEU A 33 0.014 -1.025 -5.631 1.00 1.00 C ATOM 325 CD2 LEU A 33 -0.865 -1.101 -7.972 1.00 1.00 C ATOM 0 H LEU A 33 -2.753 0.562 -7.631 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.666 -2.067 -7.625 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.693 -0.917 -5.062 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.245 -2.403 -5.876 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.298 0.402 -6.519 1.00 1.00 H new ATOM 0 HD11 LEU A 33 0.918 -0.545 -6.005 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.192 -0.673 -4.620 1.00 1.00 H new ATOM 0 HD13 LEU A 33 0.157 -2.106 -5.617 1.00 1.00 H new ATOM 0 HD21 LEU A 33 0.052 -0.620 -8.313 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -0.745 -2.183 -8.015 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -1.693 -0.802 -8.615 1.00 1.00 H new ATOM 337 N LEU A 34 -5.263 -0.032 -5.573 1.00 1.00 N ATOM 338 CA LEU A 34 -6.477 0.133 -4.788 1.00 1.00 C ATOM 339 C LEU A 34 -7.679 0.057 -5.714 1.00 1.00 C ATOM 340 O LEU A 34 -8.647 -0.656 -5.451 1.00 1.00 O ATOM 341 CB LEU A 34 -6.469 1.479 -4.056 1.00 1.00 C ATOM 342 CG LEU A 34 -5.204 1.766 -3.248 1.00 1.00 C ATOM 343 CD1 LEU A 34 -5.080 3.253 -2.962 1.00 1.00 C ATOM 344 CD2 LEU A 34 -5.215 0.968 -1.953 1.00 1.00 C ATOM 0 H LEU A 34 -4.697 0.813 -5.657 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.531 -0.661 -4.043 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -6.603 2.275 -4.789 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -7.327 1.516 -3.385 1.00 1.00 H new ATOM 0 HG LEU A 34 -4.338 1.460 -3.835 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -4.173 3.438 -2.386 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -5.031 3.802 -3.903 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -5.947 3.587 -2.392 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -4.309 1.181 -1.386 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -6.087 1.247 -1.361 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.258 -0.097 -2.182 1.00 1.00 H new ATOM 356 N LYS A 35 -7.590 0.797 -6.815 1.00 1.00 N ATOM 357 CA LYS A 35 -8.644 0.834 -7.818 1.00 1.00 C ATOM 358 C LYS A 35 -9.137 -0.573 -8.145 1.00 1.00 C ATOM 359 O LYS A 35 -10.339 -0.813 -8.258 1.00 1.00 O ATOM 360 CB LYS A 35 -8.119 1.515 -9.084 1.00 1.00 C ATOM 361 CG LYS A 35 -7.829 2.998 -8.906 1.00 1.00 C ATOM 362 CD LYS A 35 -9.027 3.741 -8.338 1.00 1.00 C ATOM 363 CE LYS A 35 -8.921 5.238 -8.583 1.00 1.00 C ATOM 364 NZ LYS A 35 -8.545 5.545 -9.991 1.00 1.00 N ATOM 0 H LYS A 35 -6.787 1.386 -7.035 1.00 1.00 H new ATOM 0 HA LYS A 35 -9.485 1.402 -7.420 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.207 1.012 -9.405 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.850 1.390 -9.883 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -6.974 3.124 -8.242 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -7.553 3.433 -9.867 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -9.942 3.361 -8.793 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -9.100 3.551 -7.267 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -9.874 5.712 -8.350 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -8.179 5.665 -7.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -8.968 6.452 -10.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -7.510 5.607 -10.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -8.895 4.791 -10.616 1.00 1.00 H new ATOM 378 N SER A 36 -8.196 -1.500 -8.290 1.00 1.00 N ATOM 379 CA SER A 36 -8.525 -2.888 -8.596 1.00 1.00 C ATOM 380 C SER A 36 -8.782 -3.682 -7.316 1.00 1.00 C ATOM 381 O SER A 36 -9.453 -4.714 -7.339 1.00 1.00 O ATOM 382 CB SER A 36 -7.394 -3.537 -9.398 1.00 1.00 C ATOM 383 OG SER A 36 -7.850 -3.961 -10.671 1.00 1.00 O ATOM 0 H SER A 36 -7.197 -1.315 -8.200 1.00 1.00 H new ATOM 0 HA SER A 36 -9.436 -2.897 -9.195 1.00 1.00 H new ATOM 0 HB2 SER A 36 -6.576 -2.827 -9.519 1.00 1.00 H new ATOM 0 HB3 SER A 36 -6.997 -4.390 -8.848 1.00 1.00 H new ATOM 0 HG SER A 36 -7.109 -4.370 -11.164 1.00 1.00 H new ATOM 389 N ALA A 37 -8.245 -3.193 -6.201 1.00 1.00 N ATOM 390 CA ALA A 37 -8.417 -3.855 -4.913 1.00 1.00 C ATOM 391 C ALA A 37 -9.812 -3.612 -4.337 1.00 1.00 C ATOM 392 O ALA A 37 -10.160 -4.154 -3.287 1.00 1.00 O ATOM 393 CB ALA A 37 -7.351 -3.381 -3.933 1.00 1.00 C ATOM 0 H ALA A 37 -7.687 -2.340 -6.165 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.307 -4.928 -5.072 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.489 -3.882 -2.975 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.363 -3.618 -4.327 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.437 -2.303 -3.795 1.00 1.00 H new ATOM 399 N GLY A 38 -10.609 -2.796 -5.024 1.00 1.00 N ATOM 400 CA GLY A 38 -11.951 -2.501 -4.556 1.00 1.00 C ATOM 401 C GLY A 38 -12.100 -1.057 -4.120 1.00 1.00 C ATOM 402 O GLY A 38 -12.879 -0.749 -3.218 1.00 1.00 O ATOM 0 H GLY A 38 -10.348 -2.335 -5.896 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.666 -2.715 -5.350 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -12.196 -3.158 -3.721 1.00 1.00 H new ATOM 406 N ALA A 39 -11.344 -0.172 -4.761 1.00 1.00 N ATOM 407 CA ALA A 39 -11.383 1.248 -4.440 1.00 1.00 C ATOM 408 C ALA A 39 -11.894 2.067 -5.632 1.00 1.00 C ATOM 409 O ALA A 39 -11.656 1.699 -6.783 1.00 1.00 O ATOM 410 CB ALA A 39 -10.000 1.724 -4.021 1.00 1.00 C ATOM 0 H ALA A 39 -10.695 -0.416 -5.509 1.00 1.00 H new ATOM 0 HA ALA A 39 -12.075 1.395 -3.611 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -10.038 2.787 -3.783 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -9.674 1.167 -3.143 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -9.296 1.560 -4.837 1.00 1.00 H new ATOM 416 N GLN A 40 -12.595 3.174 -5.366 1.00 1.00 N ATOM 417 CA GLN A 40 -13.121 4.014 -6.438 1.00 1.00 C ATOM 418 C GLN A 40 -12.476 5.398 -6.415 1.00 1.00 C ATOM 419 O GLN A 40 -11.858 5.821 -7.392 1.00 1.00 O ATOM 420 CB GLN A 40 -14.640 4.146 -6.313 1.00 1.00 C ATOM 421 CG GLN A 40 -15.374 2.816 -6.379 1.00 1.00 C ATOM 422 CD GLN A 40 -16.676 2.907 -7.151 1.00 1.00 C ATOM 423 OE1 GLN A 40 -17.756 2.703 -6.595 1.00 1.00 O ATOM 424 NE2 GLN A 40 -16.581 3.212 -8.440 1.00 1.00 N ATOM 0 H GLN A 40 -12.808 3.504 -4.425 1.00 1.00 H new ATOM 0 HA GLN A 40 -12.881 3.537 -7.388 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -14.877 4.636 -5.369 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -15.007 4.794 -7.109 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -14.729 2.072 -6.847 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -15.579 2.468 -5.367 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -15.665 3.373 -8.860 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -17.424 3.285 -9.010 1.00 1.00 H new ATOM 433 N LYS A 41 -12.628 6.098 -5.296 1.00 1.00 N ATOM 434 CA LYS A 41 -12.064 7.436 -5.145 1.00 1.00 C ATOM 435 C LYS A 41 -10.551 7.421 -5.348 1.00 1.00 C ATOM 436 O LYS A 41 -9.959 6.373 -5.604 1.00 1.00 O ATOM 437 CB LYS A 41 -12.400 8.005 -3.765 1.00 1.00 C ATOM 438 CG LYS A 41 -11.893 7.154 -2.611 1.00 1.00 C ATOM 439 CD LYS A 41 -12.941 6.156 -2.148 1.00 1.00 C ATOM 440 CE LYS A 41 -12.847 5.903 -0.652 1.00 1.00 C ATOM 441 NZ LYS A 41 -13.170 4.491 -0.305 1.00 1.00 N ATOM 0 H LYS A 41 -13.137 5.761 -4.479 1.00 1.00 H new ATOM 0 HA LYS A 41 -12.507 8.074 -5.910 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -11.975 9.005 -3.681 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -13.481 8.110 -3.679 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -10.994 6.621 -2.919 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -11.612 7.799 -1.779 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -13.935 6.531 -2.393 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -12.813 5.217 -2.686 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -11.841 6.140 -0.306 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -13.530 6.571 -0.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.094 4.360 0.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.139 4.271 -0.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -12.502 3.854 -0.785 1.00 1.00 H new ATOM 455 N GLU A 42 -9.932 8.593 -5.235 1.00 1.00 N ATOM 456 CA GLU A 42 -8.489 8.717 -5.408 1.00 1.00 C ATOM 457 C GLU A 42 -7.775 8.795 -4.061 1.00 1.00 C ATOM 458 O GLU A 42 -6.604 8.434 -3.948 1.00 1.00 O ATOM 459 CB GLU A 42 -8.160 9.955 -6.244 1.00 1.00 C ATOM 460 CG GLU A 42 -8.569 11.262 -5.583 1.00 1.00 C ATOM 461 CD GLU A 42 -9.478 12.101 -6.460 1.00 1.00 C ATOM 462 OE1 GLU A 42 -10.347 11.518 -7.142 1.00 1.00 O ATOM 463 OE2 GLU A 42 -9.321 13.340 -6.464 1.00 1.00 O ATOM 0 H GLU A 42 -10.408 9.470 -5.024 1.00 1.00 H new ATOM 0 HA GLU A 42 -8.137 7.827 -5.930 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -7.088 9.976 -6.440 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -8.659 9.874 -7.210 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -9.076 11.046 -4.643 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -7.675 11.836 -5.339 1.00 1.00 H new ATOM 470 N THR A 43 -8.486 9.265 -3.040 1.00 1.00 N ATOM 471 CA THR A 43 -7.913 9.385 -1.704 1.00 1.00 C ATOM 472 C THR A 43 -8.510 8.340 -0.767 1.00 1.00 C ATOM 473 O THR A 43 -9.688 8.004 -0.869 1.00 1.00 O ATOM 474 CB THR A 43 -8.152 10.788 -1.142 1.00 1.00 C ATOM 475 OG1 THR A 43 -8.463 11.699 -2.182 1.00 1.00 O ATOM 476 CG2 THR A 43 -6.962 11.341 -0.389 1.00 1.00 C ATOM 0 H THR A 43 -9.457 9.568 -3.112 1.00 1.00 H new ATOM 0 HA THR A 43 -6.839 9.214 -1.779 1.00 1.00 H new ATOM 0 HB THR A 43 -8.985 10.683 -0.447 1.00 1.00 H new ATOM 0 HG1 THR A 43 -8.614 12.590 -1.802 1.00 1.00 H new ATOM 0 HG21 THR A 43 -7.198 12.338 -0.017 1.00 1.00 H new ATOM 0 HG22 THR A 43 -6.727 10.687 0.451 1.00 1.00 H new ATOM 0 HG23 THR A 43 -6.103 11.397 -1.057 1.00 1.00 H new ATOM 484 N PHE A 44 -7.691 7.826 0.143 1.00 1.00 N ATOM 485 CA PHE A 44 -8.148 6.816 1.089 1.00 1.00 C ATOM 486 C PHE A 44 -7.436 6.947 2.429 1.00 1.00 C ATOM 487 O PHE A 44 -6.266 7.325 2.489 1.00 1.00 O ATOM 488 CB PHE A 44 -7.896 5.411 0.537 1.00 1.00 C ATOM 489 CG PHE A 44 -8.446 5.177 -0.837 1.00 1.00 C ATOM 490 CD1 PHE A 44 -7.776 5.647 -1.954 1.00 1.00 C ATOM 491 CD2 PHE A 44 -9.623 4.469 -1.013 1.00 1.00 C ATOM 492 CE1 PHE A 44 -8.271 5.417 -3.223 1.00 1.00 C ATOM 493 CE2 PHE A 44 -10.123 4.239 -2.280 1.00 1.00 C ATOM 494 CZ PHE A 44 -9.447 4.713 -3.385 1.00 1.00 C ATOM 0 H PHE A 44 -6.711 8.091 0.246 1.00 1.00 H new ATOM 0 HA PHE A 44 -9.217 6.973 1.236 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.822 5.228 0.521 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -8.334 4.682 1.219 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.856 6.200 -1.832 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -10.155 4.093 -0.152 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -7.739 5.787 -4.087 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -11.043 3.688 -2.405 1.00 1.00 H new ATOM 0 HZ PHE A 44 -9.838 4.533 -4.376 1.00 1.00 H new ATOM 504 N THR A 45 -8.141 6.600 3.500 1.00 1.00 N ATOM 505 CA THR A 45 -7.566 6.643 4.835 1.00 1.00 C ATOM 506 C THR A 45 -6.677 5.424 5.035 1.00 1.00 C ATOM 507 O THR A 45 -6.926 4.372 4.447 1.00 1.00 O ATOM 508 CB THR A 45 -8.669 6.668 5.895 1.00 1.00 C ATOM 509 OG1 THR A 45 -9.664 5.702 5.606 1.00 1.00 O ATOM 510 CG2 THR A 45 -9.356 8.011 6.013 1.00 1.00 C ATOM 0 H THR A 45 -9.111 6.286 3.468 1.00 1.00 H new ATOM 0 HA THR A 45 -6.972 7.551 4.940 1.00 1.00 H new ATOM 0 HB THR A 45 -8.168 6.450 6.838 1.00 1.00 H new ATOM 0 HG1 THR A 45 -10.359 5.732 6.296 1.00 1.00 H new ATOM 0 HG21 THR A 45 -10.127 7.959 6.782 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.624 8.772 6.284 1.00 1.00 H new ATOM 0 HG23 THR A 45 -9.813 8.271 5.058 1.00 1.00 H new ATOM 518 N MET A 46 -5.633 5.561 5.849 1.00 1.00 N ATOM 519 CA MET A 46 -4.719 4.451 6.089 1.00 1.00 C ATOM 520 C MET A 46 -5.479 3.157 6.357 1.00 1.00 C ATOM 521 O MET A 46 -5.003 2.069 6.033 1.00 1.00 O ATOM 522 CB MET A 46 -3.779 4.756 7.253 1.00 1.00 C ATOM 523 CG MET A 46 -2.464 4.007 7.146 1.00 1.00 C ATOM 524 SD MET A 46 -1.027 5.092 7.214 1.00 1.00 S ATOM 525 CE MET A 46 -0.295 4.755 5.615 1.00 1.00 C ATOM 0 H MET A 46 -5.402 6.420 6.348 1.00 1.00 H new ATOM 0 HA MET A 46 -4.123 4.320 5.186 1.00 1.00 H new ATOM 0 HB2 MET A 46 -3.582 5.828 7.286 1.00 1.00 H new ATOM 0 HB3 MET A 46 -4.269 4.493 8.191 1.00 1.00 H new ATOM 0 HG2 MET A 46 -2.401 3.278 7.954 1.00 1.00 H new ATOM 0 HG3 MET A 46 -2.446 3.448 6.211 1.00 1.00 H new ATOM 0 HE1 MET A 46 0.725 4.394 5.750 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.883 3.996 5.098 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.280 5.669 5.022 1.00 1.00 H new ATOM 535 N LYS A 47 -6.669 3.283 6.932 1.00 1.00 N ATOM 536 CA LYS A 47 -7.495 2.120 7.218 1.00 1.00 C ATOM 537 C LYS A 47 -7.902 1.439 5.917 1.00 1.00 C ATOM 538 O LYS A 47 -7.727 0.233 5.753 1.00 1.00 O ATOM 539 CB LYS A 47 -8.737 2.530 8.015 1.00 1.00 C ATOM 540 CG LYS A 47 -8.862 1.820 9.353 1.00 1.00 C ATOM 541 CD LYS A 47 -7.688 2.138 10.265 1.00 1.00 C ATOM 542 CE LYS A 47 -7.728 3.580 10.744 1.00 1.00 C ATOM 543 NZ LYS A 47 -6.483 3.960 11.467 1.00 1.00 N ATOM 0 H LYS A 47 -7.081 4.175 7.208 1.00 1.00 H new ATOM 0 HA LYS A 47 -6.917 1.417 7.818 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -8.710 3.606 8.185 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -9.626 2.323 7.419 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -9.792 2.117 9.838 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -8.917 0.744 9.191 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -7.702 1.468 11.124 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -6.754 1.956 9.734 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.868 4.242 9.890 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -8.586 3.721 11.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -6.550 4.950 11.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -6.362 3.345 12.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -5.666 3.851 10.833 1.00 1.00 H new ATOM 557 N GLU A 48 -8.431 2.228 4.986 1.00 1.00 N ATOM 558 CA GLU A 48 -8.850 1.709 3.690 1.00 1.00 C ATOM 559 C GLU A 48 -7.636 1.371 2.833 1.00 1.00 C ATOM 560 O GLU A 48 -7.567 0.300 2.230 1.00 1.00 O ATOM 561 CB GLU A 48 -9.733 2.726 2.965 1.00 1.00 C ATOM 562 CG GLU A 48 -10.927 3.194 3.783 1.00 1.00 C ATOM 563 CD GLU A 48 -12.028 2.155 3.852 1.00 1.00 C ATOM 564 OE1 GLU A 48 -12.788 2.029 2.868 1.00 1.00 O ATOM 565 OE2 GLU A 48 -12.132 1.468 4.890 1.00 1.00 O ATOM 0 H GLU A 48 -8.579 3.230 5.106 1.00 1.00 H new ATOM 0 HA GLU A 48 -9.427 0.799 3.858 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -9.128 3.591 2.694 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -10.092 2.285 2.035 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -10.598 3.437 4.793 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -11.324 4.111 3.348 1.00 1.00 H new ATOM 572 N VAL A 49 -6.675 2.291 2.790 1.00 1.00 N ATOM 573 CA VAL A 49 -5.456 2.091 2.010 1.00 1.00 C ATOM 574 C VAL A 49 -4.800 0.759 2.355 1.00 1.00 C ATOM 575 O VAL A 49 -4.794 -0.171 1.549 1.00 1.00 O ATOM 576 CB VAL A 49 -4.436 3.224 2.248 1.00 1.00 C ATOM 577 CG1 VAL A 49 -3.265 3.098 1.285 1.00 1.00 C ATOM 578 CG2 VAL A 49 -5.099 4.588 2.115 1.00 1.00 C ATOM 0 H VAL A 49 -6.717 3.182 3.286 1.00 1.00 H new ATOM 0 HA VAL A 49 -5.751 2.094 0.961 1.00 1.00 H new ATOM 0 HB VAL A 49 -4.056 3.132 3.265 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -2.556 3.905 1.467 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -2.770 2.139 1.437 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -3.629 3.160 0.259 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -4.360 5.370 2.287 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -5.514 4.695 1.113 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -5.899 4.677 2.850 1.00 1.00 H new ATOM 588 N LEU A 50 -4.249 0.677 3.562 1.00 1.00 N ATOM 589 CA LEU A 50 -3.590 -0.537 4.025 1.00 1.00 C ATOM 590 C LEU A 50 -4.521 -1.748 3.923 1.00 1.00 C ATOM 591 O LEU A 50 -4.062 -2.888 3.855 1.00 1.00 O ATOM 592 CB LEU A 50 -3.109 -0.344 5.469 1.00 1.00 C ATOM 593 CG LEU A 50 -2.615 -1.604 6.191 1.00 1.00 C ATOM 594 CD1 LEU A 50 -3.790 -2.400 6.741 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.758 -2.465 5.269 1.00 1.00 C ATOM 0 H LEU A 50 -4.247 1.440 4.238 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.730 -0.731 3.384 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.302 0.388 5.466 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.927 0.085 6.048 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.991 -1.292 7.028 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.420 -3.290 7.250 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.348 -1.784 7.446 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.444 -2.696 5.921 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.422 -3.351 5.807 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.347 -2.768 4.403 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.892 -1.892 4.937 1.00 1.00 H new ATOM 607 N TYR A 51 -5.830 -1.499 3.912 1.00 1.00 N ATOM 608 CA TYR A 51 -6.809 -2.580 3.820 1.00 1.00 C ATOM 609 C TYR A 51 -6.855 -3.173 2.411 1.00 1.00 C ATOM 610 O TYR A 51 -6.611 -4.369 2.225 1.00 1.00 O ATOM 611 CB TYR A 51 -8.199 -2.083 4.229 1.00 1.00 C ATOM 612 CG TYR A 51 -9.292 -3.116 4.058 1.00 1.00 C ATOM 613 CD1 TYR A 51 -9.821 -3.396 2.804 1.00 1.00 C ATOM 614 CD2 TYR A 51 -9.794 -3.810 5.152 1.00 1.00 C ATOM 615 CE1 TYR A 51 -10.819 -4.338 2.646 1.00 1.00 C ATOM 616 CE2 TYR A 51 -10.791 -4.754 5.001 1.00 1.00 C ATOM 617 CZ TYR A 51 -11.300 -5.015 3.747 1.00 1.00 C ATOM 618 OH TYR A 51 -12.294 -5.954 3.593 1.00 1.00 O ATOM 0 H TYR A 51 -6.235 -0.564 3.965 1.00 1.00 H new ATOM 0 HA TYR A 51 -6.498 -3.367 4.508 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -8.170 -1.768 5.272 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -8.448 -1.202 3.637 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -9.446 -2.869 1.939 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -9.398 -3.608 6.136 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -11.221 -4.543 1.665 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -11.170 -5.285 5.862 1.00 1.00 H new ATOM 0 HH TYR A 51 -12.518 -6.339 4.466 1.00 1.00 H new ATOM 628 N HIS A 52 -7.170 -2.344 1.415 1.00 1.00 N ATOM 629 CA HIS A 52 -7.242 -2.822 0.037 1.00 1.00 C ATOM 630 C HIS A 52 -5.981 -3.596 -0.329 1.00 1.00 C ATOM 631 O HIS A 52 -6.055 -4.642 -0.969 1.00 1.00 O ATOM 632 CB HIS A 52 -7.448 -1.668 -0.948 1.00 1.00 C ATOM 633 CG HIS A 52 -8.461 -0.657 -0.505 1.00 1.00 C ATOM 634 ND1 HIS A 52 -9.772 -0.979 -0.226 1.00 1.00 N ATOM 635 CD2 HIS A 52 -8.356 0.680 -0.316 1.00 1.00 C ATOM 636 CE1 HIS A 52 -10.430 0.116 0.112 1.00 1.00 C ATOM 637 NE2 HIS A 52 -9.594 1.136 0.067 1.00 1.00 N ATOM 0 H HIS A 52 -7.376 -1.352 1.535 1.00 1.00 H new ATOM 0 HA HIS A 52 -8.103 -3.487 -0.033 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.494 -1.165 -1.106 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.756 -2.077 -1.910 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -10.172 -1.916 -0.273 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -7.465 1.277 -0.443 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -11.475 0.167 0.380 1.00 1.00 H new ATOM 646 N LEU A 53 -4.824 -3.082 0.091 1.00 1.00 N ATOM 647 CA LEU A 53 -3.554 -3.727 -0.181 1.00 1.00 C ATOM 648 C LEU A 53 -3.631 -5.224 0.097 1.00 1.00 C ATOM 649 O LEU A 53 -3.282 -6.041 -0.755 1.00 1.00 O ATOM 650 CB LEU A 53 -2.462 -3.079 0.664 1.00 1.00 C ATOM 651 CG LEU A 53 -1.306 -2.500 -0.139 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.818 -1.583 -1.239 1.00 1.00 C ATOM 653 CD2 LEU A 53 -0.331 -1.767 0.770 1.00 1.00 C ATOM 0 H LEU A 53 -4.748 -2.215 0.623 1.00 1.00 H new ATOM 0 HA LEU A 53 -3.314 -3.599 -1.236 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -2.907 -2.284 1.263 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -2.070 -3.821 1.360 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.772 -3.326 -0.610 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.974 -1.181 -1.800 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -2.465 -2.147 -1.911 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -2.383 -0.763 -0.796 1.00 1.00 H new ATOM 0 HD21 LEU A 53 0.487 -1.362 0.175 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -0.849 -0.953 1.278 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.068 -2.461 1.510 1.00 1.00 H new ATOM 665 N GLY A 54 -4.112 -5.580 1.286 1.00 1.00 N ATOM 666 CA GLY A 54 -4.247 -6.982 1.630 1.00 1.00 C ATOM 667 C GLY A 54 -5.071 -7.720 0.597 1.00 1.00 C ATOM 668 O GLY A 54 -4.774 -8.862 0.245 1.00 1.00 O ATOM 0 H GLY A 54 -4.408 -4.927 2.011 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -3.260 -7.438 1.705 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -4.717 -7.076 2.609 1.00 1.00 H new ATOM 672 N GLN A 55 -6.102 -7.045 0.096 1.00 1.00 N ATOM 673 CA GLN A 55 -6.971 -7.618 -0.923 1.00 1.00 C ATOM 674 C GLN A 55 -6.317 -7.518 -2.300 1.00 1.00 C ATOM 675 O GLN A 55 -6.597 -8.317 -3.193 1.00 1.00 O ATOM 676 CB GLN A 55 -8.323 -6.901 -0.934 1.00 1.00 C ATOM 677 CG GLN A 55 -9.169 -7.181 0.297 1.00 1.00 C ATOM 678 CD GLN A 55 -10.633 -6.848 0.086 1.00 1.00 C ATOM 679 OE1 GLN A 55 -10.982 -5.713 -0.238 1.00 1.00 O ATOM 680 NE2 GLN A 55 -11.498 -7.838 0.270 1.00 1.00 N ATOM 0 H GLN A 55 -6.355 -6.099 0.381 1.00 1.00 H new ATOM 0 HA GLN A 55 -7.131 -8.670 -0.686 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -8.155 -5.827 -1.013 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.878 -7.203 -1.822 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -9.075 -8.233 0.567 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -8.786 -6.601 1.137 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -11.164 -8.764 0.538 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -12.497 -7.673 0.143 1.00 1.00 H new ATOM 689 N TYR A 56 -5.439 -6.529 -2.459 1.00 1.00 N ATOM 690 CA TYR A 56 -4.736 -6.316 -3.718 1.00 1.00 C ATOM 691 C TYR A 56 -3.800 -7.485 -4.013 1.00 1.00 C ATOM 692 O TYR A 56 -3.677 -7.922 -5.157 1.00 1.00 O ATOM 693 CB TYR A 56 -3.944 -5.001 -3.665 1.00 1.00 C ATOM 694 CG TYR A 56 -2.967 -4.829 -4.808 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.413 -4.544 -6.091 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.601 -4.971 -4.604 1.00 1.00 C ATOM 697 CE1 TYR A 56 -2.526 -4.407 -7.142 1.00 1.00 C ATOM 698 CE2 TYR A 56 -0.705 -4.830 -5.648 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.173 -4.550 -6.915 1.00 1.00 C ATOM 700 OH TYR A 56 -0.286 -4.415 -7.958 1.00 1.00 O ATOM 0 H TYR A 56 -5.198 -5.861 -1.727 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.472 -6.252 -4.520 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.644 -4.166 -3.669 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.398 -4.954 -2.723 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.471 -4.427 -6.271 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.232 -5.195 -3.614 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -2.890 -4.189 -8.135 1.00 1.00 H new ATOM 0 HE2 TYR A 56 0.355 -4.938 -5.472 1.00 1.00 H new ATOM 0 HH TYR A 56 0.422 -5.088 -7.875 1.00 1.00 H new ATOM 710 N ILE A 57 -3.142 -7.984 -2.972 1.00 1.00 N ATOM 711 CA ILE A 57 -2.217 -9.100 -3.115 1.00 1.00 C ATOM 712 C ILE A 57 -2.962 -10.395 -3.419 1.00 1.00 C ATOM 713 O ILE A 57 -2.705 -11.045 -4.432 1.00 1.00 O ATOM 714 CB ILE A 57 -1.367 -9.290 -1.844 1.00 1.00 C ATOM 715 CG1 ILE A 57 -0.689 -7.973 -1.462 1.00 1.00 C ATOM 716 CG2 ILE A 57 -0.332 -10.387 -2.050 1.00 1.00 C ATOM 717 CD1 ILE A 57 0.197 -8.081 -0.241 1.00 1.00 C ATOM 0 H ILE A 57 -3.233 -7.632 -2.019 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.557 -8.862 -3.949 1.00 1.00 H new ATOM 0 HB ILE A 57 -2.023 -9.593 -1.028 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -0.092 -7.624 -2.304 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -1.455 -7.219 -1.280 1.00 1.00 H new ATOM 0 HG21 ILE A 57 0.258 -10.506 -1.141 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -0.837 -11.325 -2.280 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.325 -10.117 -2.877 1.00 1.00 H new ATOM 0 HD11 ILE A 57 0.644 -7.110 -0.029 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -0.399 -8.400 0.614 1.00 1.00 H new ATOM 0 HD13 ILE A 57 0.985 -8.811 -0.427 1.00 1.00 H new ATOM 729 N MET A 58 -3.889 -10.766 -2.540 1.00 1.00 N ATOM 730 CA MET A 58 -4.668 -11.985 -2.727 1.00 1.00 C ATOM 731 C MET A 58 -5.402 -11.953 -4.064 1.00 1.00 C ATOM 732 O MET A 58 -5.627 -12.992 -4.686 1.00 1.00 O ATOM 733 CB MET A 58 -5.669 -12.165 -1.584 1.00 1.00 C ATOM 734 CG MET A 58 -6.578 -10.966 -1.376 1.00 1.00 C ATOM 735 SD MET A 58 -8.289 -11.436 -1.056 1.00 1.00 S ATOM 736 CE MET A 58 -8.161 -12.070 0.614 1.00 1.00 C ATOM 0 H MET A 58 -4.118 -10.242 -1.695 1.00 1.00 H new ATOM 0 HA MET A 58 -3.980 -12.830 -2.726 1.00 1.00 H new ATOM 0 HB2 MET A 58 -6.282 -13.044 -1.784 1.00 1.00 H new ATOM 0 HB3 MET A 58 -5.123 -12.360 -0.661 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.206 -10.374 -0.540 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.540 -10.329 -2.260 1.00 1.00 H new ATOM 0 HE1 MET A 58 -9.142 -12.401 0.954 1.00 1.00 H new ATOM 0 HE2 MET A 58 -7.468 -12.911 0.632 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.795 -11.284 1.274 1.00 1.00 H new ATOM 746 N ALA A 59 -5.763 -10.752 -4.506 1.00 1.00 N ATOM 747 CA ALA A 59 -6.460 -10.583 -5.774 1.00 1.00 C ATOM 748 C ALA A 59 -5.498 -10.760 -6.942 1.00 1.00 C ATOM 749 O ALA A 59 -5.690 -11.630 -7.792 1.00 1.00 O ATOM 750 CB ALA A 59 -7.125 -9.216 -5.835 1.00 1.00 C ATOM 0 H ALA A 59 -5.584 -9.882 -4.004 1.00 1.00 H new ATOM 0 HA ALA A 59 -7.233 -11.348 -5.847 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.642 -9.105 -6.788 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.843 -9.124 -5.020 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.367 -8.438 -5.740 1.00 1.00 H new ATOM 756 N LYS A 60 -4.455 -9.936 -6.973 1.00 1.00 N ATOM 757 CA LYS A 60 -3.455 -10.007 -8.029 1.00 1.00 C ATOM 758 C LYS A 60 -2.732 -11.352 -8.000 1.00 1.00 C ATOM 759 O LYS A 60 -2.173 -11.789 -9.006 1.00 1.00 O ATOM 760 CB LYS A 60 -2.447 -8.868 -7.875 1.00 1.00 C ATOM 761 CG LYS A 60 -2.854 -7.586 -8.585 1.00 1.00 C ATOM 762 CD LYS A 60 -4.270 -7.164 -8.226 1.00 1.00 C ATOM 763 CE LYS A 60 -4.812 -6.136 -9.206 1.00 1.00 C ATOM 764 NZ LYS A 60 -4.587 -6.545 -10.620 1.00 1.00 N ATOM 0 H LYS A 60 -4.282 -9.211 -6.277 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.962 -9.908 -8.989 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.311 -8.657 -6.814 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.482 -9.195 -8.261 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.160 -6.789 -8.321 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -2.780 -7.729 -9.663 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -4.920 -8.039 -8.218 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.282 -6.749 -7.218 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.879 -5.997 -9.034 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.332 -5.174 -9.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.316 -6.117 -11.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -3.647 -6.224 -10.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.640 -7.581 -10.694 1.00 1.00 H new ATOM 778 N GLN A 61 -2.748 -12.003 -6.837 1.00 1.00 N ATOM 779 CA GLN A 61 -2.097 -13.298 -6.667 1.00 1.00 C ATOM 780 C GLN A 61 -0.578 -13.159 -6.708 1.00 1.00 C ATOM 781 O GLN A 61 0.079 -13.663 -7.618 1.00 1.00 O ATOM 782 CB GLN A 61 -2.566 -14.283 -7.742 1.00 1.00 C ATOM 783 CG GLN A 61 -2.176 -15.725 -7.458 1.00 1.00 C ATOM 784 CD GLN A 61 -3.379 -16.625 -7.250 1.00 1.00 C ATOM 785 OE1 GLN A 61 -3.407 -17.761 -7.724 1.00 1.00 O ATOM 786 NE2 GLN A 61 -4.380 -16.121 -6.539 1.00 1.00 N ATOM 0 H GLN A 61 -3.207 -11.651 -5.997 1.00 1.00 H new ATOM 0 HA GLN A 61 -2.379 -13.686 -5.688 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.650 -14.220 -7.833 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.148 -13.985 -8.703 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.581 -16.107 -8.288 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -1.544 -15.758 -6.570 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.314 -15.174 -6.165 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.215 -16.680 -6.366 1.00 1.00 H new ATOM 795 N LEU A 62 -0.028 -12.474 -5.710 1.00 1.00 N ATOM 796 CA LEU A 62 1.414 -12.270 -5.623 1.00 1.00 C ATOM 797 C LEU A 62 2.024 -13.107 -4.499 1.00 1.00 C ATOM 798 O LEU A 62 3.241 -13.111 -4.309 1.00 1.00 O ATOM 799 CB LEU A 62 1.727 -10.790 -5.396 1.00 1.00 C ATOM 800 CG LEU A 62 0.962 -9.819 -6.296 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.401 -8.388 -6.029 1.00 1.00 C ATOM 802 CD2 LEU A 62 1.168 -10.177 -7.760 1.00 1.00 C ATOM 0 H LEU A 62 -0.560 -12.050 -4.950 1.00 1.00 H new ATOM 0 HA LEU A 62 1.855 -12.591 -6.567 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.511 -10.544 -4.356 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.795 -10.634 -5.545 1.00 1.00 H new ATOM 0 HG LEU A 62 -0.101 -9.900 -6.068 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.847 -7.710 -6.678 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.204 -8.135 -4.987 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.468 -8.291 -6.230 1.00 1.00 H new ATOM 0 HD21 LEU A 62 0.617 -9.476 -8.387 1.00 1.00 H new ATOM 0 HD22 LEU A 62 2.229 -10.123 -8.002 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.806 -11.189 -7.942 1.00 1.00 H new ATOM 814 N TYR A 63 1.176 -13.814 -3.754 1.00 1.00 N ATOM 815 CA TYR A 63 1.640 -14.649 -2.651 1.00 1.00 C ATOM 816 C TYR A 63 2.184 -15.978 -3.166 1.00 1.00 C ATOM 817 O TYR A 63 1.742 -16.483 -4.197 1.00 1.00 O ATOM 818 CB TYR A 63 0.500 -14.900 -1.663 1.00 1.00 C ATOM 819 CG TYR A 63 -0.716 -15.538 -2.295 1.00 1.00 C ATOM 820 CD1 TYR A 63 -0.706 -16.875 -2.672 1.00 1.00 C ATOM 821 CD2 TYR A 63 -1.873 -14.801 -2.519 1.00 1.00 C ATOM 822 CE1 TYR A 63 -1.814 -17.460 -3.254 1.00 1.00 C ATOM 823 CE2 TYR A 63 -2.985 -15.380 -3.100 1.00 1.00 C ATOM 824 CZ TYR A 63 -2.951 -16.709 -3.466 1.00 1.00 C ATOM 825 OH TYR A 63 -4.056 -17.289 -4.044 1.00 1.00 O ATOM 0 H TYR A 63 0.166 -13.824 -3.895 1.00 1.00 H new ATOM 0 HA TYR A 63 2.446 -14.121 -2.141 1.00 1.00 H new ATOM 0 HB2 TYR A 63 0.861 -15.542 -0.859 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.209 -13.953 -1.208 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.182 -17.467 -2.507 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -1.903 -13.760 -2.235 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -1.790 -18.501 -3.542 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.877 -14.794 -3.267 1.00 1.00 H new ATOM 0 HH TYR A 63 -4.837 -16.713 -3.908 1.00 1.00 H new ATOM 835 N ASP A 64 3.145 -16.539 -2.439 1.00 1.00 N ATOM 836 CA ASP A 64 3.750 -17.809 -2.821 1.00 1.00 C ATOM 837 C ASP A 64 2.860 -18.980 -2.415 1.00 1.00 C ATOM 838 O ASP A 64 2.205 -18.943 -1.373 1.00 1.00 O ATOM 839 CB ASP A 64 5.131 -17.954 -2.176 1.00 1.00 C ATOM 840 CG ASP A 64 5.818 -19.250 -2.560 1.00 1.00 C ATOM 841 OD1 ASP A 64 5.412 -19.861 -3.570 1.00 1.00 O ATOM 842 OD2 ASP A 64 6.764 -19.653 -1.851 1.00 1.00 O ATOM 0 H ASP A 64 3.521 -16.134 -1.582 1.00 1.00 H new ATOM 0 HA ASP A 64 3.860 -17.819 -3.905 1.00 1.00 H new ATOM 0 HB2 ASP A 64 5.757 -17.113 -2.473 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.029 -17.908 -1.092 1.00 1.00 H new ATOM 847 N GLU A 65 2.842 -20.019 -3.244 1.00 1.00 N ATOM 848 CA GLU A 65 2.034 -21.202 -2.970 1.00 1.00 C ATOM 849 C GLU A 65 2.542 -21.928 -1.729 1.00 1.00 C ATOM 850 O GLU A 65 1.773 -22.226 -0.815 1.00 1.00 O ATOM 851 CB GLU A 65 2.050 -22.147 -4.174 1.00 1.00 C ATOM 852 CG GLU A 65 0.883 -21.939 -5.125 1.00 1.00 C ATOM 853 CD GLU A 65 -0.420 -22.491 -4.580 1.00 1.00 C ATOM 854 OE1 GLU A 65 -0.650 -23.711 -4.713 1.00 1.00 O ATOM 855 OE2 GLU A 65 -1.209 -21.703 -4.018 1.00 1.00 O ATOM 0 H GLU A 65 3.378 -20.066 -4.111 1.00 1.00 H new ATOM 0 HA GLU A 65 1.009 -20.880 -2.787 1.00 1.00 H new ATOM 0 HB2 GLU A 65 2.983 -22.010 -4.721 1.00 1.00 H new ATOM 0 HB3 GLU A 65 2.038 -23.177 -3.817 1.00 1.00 H new ATOM 0 HG2 GLU A 65 0.767 -20.874 -5.324 1.00 1.00 H new ATOM 0 HG3 GLU A 65 1.106 -22.419 -6.078 1.00 1.00 H new ATOM 862 N LYS A 66 3.842 -22.208 -1.702 1.00 1.00 N ATOM 863 CA LYS A 66 4.453 -22.896 -0.572 1.00 1.00 C ATOM 864 C LYS A 66 4.168 -22.156 0.732 1.00 1.00 C ATOM 865 O LYS A 66 3.679 -22.742 1.697 1.00 1.00 O ATOM 866 CB LYS A 66 5.958 -23.027 -0.784 1.00 1.00 C ATOM 867 CG LYS A 66 6.364 -24.377 -1.345 1.00 1.00 C ATOM 868 CD LYS A 66 6.086 -25.498 -0.357 1.00 1.00 C ATOM 869 CE LYS A 66 5.862 -26.823 -1.066 1.00 1.00 C ATOM 870 NZ LYS A 66 7.144 -27.443 -1.503 1.00 1.00 N ATOM 0 H LYS A 66 4.492 -21.968 -2.451 1.00 1.00 H new ATOM 0 HA LYS A 66 4.018 -23.893 -0.503 1.00 1.00 H new ATOM 0 HB2 LYS A 66 6.293 -22.242 -1.462 1.00 1.00 H new ATOM 0 HB3 LYS A 66 6.468 -22.866 0.166 1.00 1.00 H new ATOM 0 HG2 LYS A 66 5.822 -24.565 -2.272 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.425 -24.365 -1.593 1.00 1.00 H new ATOM 0 HD2 LYS A 66 6.924 -25.591 0.334 1.00 1.00 H new ATOM 0 HD3 LYS A 66 5.207 -25.250 0.239 1.00 1.00 H new ATOM 0 HE2 LYS A 66 5.337 -27.507 -0.400 1.00 1.00 H new ATOM 0 HE3 LYS A 66 5.220 -26.667 -1.933 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 6.948 -28.345 -1.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 7.634 -26.802 -2.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 7.747 -27.616 -0.673 1.00 1.00 H new ATOM 884 N GLN A 67 4.471 -20.862 0.747 1.00 1.00 N ATOM 885 CA GLN A 67 4.242 -20.034 1.925 1.00 1.00 C ATOM 886 C GLN A 67 3.340 -18.853 1.582 1.00 1.00 C ATOM 887 O GLN A 67 3.646 -18.066 0.686 1.00 1.00 O ATOM 888 CB GLN A 67 5.569 -19.529 2.503 1.00 1.00 C ATOM 889 CG GLN A 67 6.676 -19.379 1.470 1.00 1.00 C ATOM 890 CD GLN A 67 7.363 -20.695 1.159 1.00 1.00 C ATOM 891 OE1 GLN A 67 7.209 -21.676 1.886 1.00 1.00 O ATOM 892 NE2 GLN A 67 8.129 -20.721 0.074 1.00 1.00 N ATOM 0 H GLN A 67 4.877 -20.364 -0.045 1.00 1.00 H new ATOM 0 HA GLN A 67 3.747 -20.649 2.677 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.401 -18.565 2.983 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.901 -20.218 3.279 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.258 -18.965 0.552 1.00 1.00 H new ATOM 0 HG3 GLN A 67 7.414 -18.665 1.835 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.228 -19.884 -0.500 1.00 1.00 H new ATOM 0 HE22 GLN A 67 8.618 -21.578 -0.185 1.00 1.00 H new ATOM 901 N GLN A 68 2.226 -18.738 2.297 1.00 1.00 N ATOM 902 CA GLN A 68 1.277 -17.655 2.064 1.00 1.00 C ATOM 903 C GLN A 68 1.765 -16.344 2.678 1.00 1.00 C ATOM 904 O GLN A 68 1.264 -15.271 2.344 1.00 1.00 O ATOM 905 CB GLN A 68 -0.093 -18.020 2.637 1.00 1.00 C ATOM 906 CG GLN A 68 -0.921 -18.902 1.717 1.00 1.00 C ATOM 907 CD GLN A 68 -0.594 -20.375 1.871 1.00 1.00 C ATOM 908 OE1 GLN A 68 -0.585 -20.908 2.980 1.00 1.00 O ATOM 909 NE2 GLN A 68 -0.324 -21.041 0.754 1.00 1.00 N ATOM 0 H GLN A 68 1.958 -19.381 3.042 1.00 1.00 H new ATOM 0 HA GLN A 68 1.192 -17.513 0.987 1.00 1.00 H new ATOM 0 HB2 GLN A 68 0.045 -18.531 3.590 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -0.647 -17.104 2.844 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -1.979 -18.745 1.925 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -0.751 -18.602 0.683 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -0.343 -20.559 -0.145 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -0.098 -22.035 0.795 1.00 1.00 H new ATOM 918 N HIS A 69 2.741 -16.434 3.579 1.00 1.00 N ATOM 919 CA HIS A 69 3.284 -15.247 4.232 1.00 1.00 C ATOM 920 C HIS A 69 4.413 -14.621 3.410 1.00 1.00 C ATOM 921 O HIS A 69 5.091 -13.705 3.874 1.00 1.00 O ATOM 922 CB HIS A 69 3.779 -15.597 5.640 1.00 1.00 C ATOM 923 CG HIS A 69 5.079 -16.343 5.659 1.00 1.00 C ATOM 924 ND1 HIS A 69 5.197 -17.659 5.266 1.00 1.00 N ATOM 925 CD2 HIS A 69 6.321 -15.949 6.026 1.00 1.00 C ATOM 926 CE1 HIS A 69 6.455 -18.043 5.391 1.00 1.00 C ATOM 927 NE2 HIS A 69 7.158 -17.023 5.849 1.00 1.00 N ATOM 0 H HIS A 69 3.170 -17.312 3.872 1.00 1.00 H new ATOM 0 HA HIS A 69 2.483 -14.511 4.309 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.891 -14.677 6.214 1.00 1.00 H new ATOM 0 HB3 HIS A 69 3.020 -16.196 6.143 1.00 1.00 H new ATOM 0 HD2 HIS A 69 6.601 -14.972 6.390 1.00 1.00 H new ATOM 0 HE1 HIS A 69 6.842 -19.024 5.158 1.00 1.00 H new ATOM 0 HE2 HIS A 69 8.160 -17.032 6.040 1.00 1.00 H new ATOM 936 N ILE A 70 4.608 -15.115 2.189 1.00 1.00 N ATOM 937 CA ILE A 70 5.649 -14.594 1.313 1.00 1.00 C ATOM 938 C ILE A 70 5.055 -14.082 0.006 1.00 1.00 C ATOM 939 O ILE A 70 4.200 -14.731 -0.597 1.00 1.00 O ATOM 940 CB ILE A 70 6.715 -15.663 0.999 1.00 1.00 C ATOM 941 CG1 ILE A 70 7.300 -16.230 2.294 1.00 1.00 C ATOM 942 CG2 ILE A 70 7.818 -15.077 0.127 1.00 1.00 C ATOM 943 CD1 ILE A 70 7.812 -15.170 3.246 1.00 1.00 C ATOM 0 H ILE A 70 4.058 -15.874 1.787 1.00 1.00 H new ATOM 0 HA ILE A 70 6.125 -13.769 1.843 1.00 1.00 H new ATOM 0 HB ILE A 70 6.238 -16.475 0.450 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.536 -16.821 2.799 1.00 1.00 H new ATOM 0 HG13 ILE A 70 8.116 -16.909 2.047 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.561 -15.845 -0.085 1.00 1.00 H new ATOM 0 HG22 ILE A 70 7.390 -14.719 -0.809 1.00 1.00 H new ATOM 0 HG23 ILE A 70 8.293 -14.247 0.650 1.00 1.00 H new ATOM 0 HD11 ILE A 70 8.212 -15.647 4.141 1.00 1.00 H new ATOM 0 HD12 ILE A 70 8.599 -14.594 2.760 1.00 1.00 H new ATOM 0 HD13 ILE A 70 6.994 -14.505 3.524 1.00 1.00 H new ATOM 955 N VAL A 71 5.512 -12.912 -0.424 1.00 1.00 N ATOM 956 CA VAL A 71 5.027 -12.309 -1.658 1.00 1.00 C ATOM 957 C VAL A 71 6.183 -11.948 -2.585 1.00 1.00 C ATOM 958 O VAL A 71 6.863 -10.942 -2.379 1.00 1.00 O ATOM 959 CB VAL A 71 4.197 -11.042 -1.375 1.00 1.00 C ATOM 960 CG1 VAL A 71 3.487 -10.575 -2.636 1.00 1.00 C ATOM 961 CG2 VAL A 71 3.199 -11.294 -0.252 1.00 1.00 C ATOM 0 H VAL A 71 6.218 -12.362 0.065 1.00 1.00 H new ATOM 0 HA VAL A 71 4.392 -13.050 -2.144 1.00 1.00 H new ATOM 0 HB VAL A 71 4.875 -10.251 -1.055 1.00 1.00 H new ATOM 0 HG11 VAL A 71 2.906 -9.679 -2.416 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.224 -10.349 -3.406 1.00 1.00 H new ATOM 0 HG13 VAL A 71 2.821 -11.361 -2.991 1.00 1.00 H new ATOM 0 HG21 VAL A 71 2.623 -10.387 -0.067 1.00 1.00 H new ATOM 0 HG22 VAL A 71 2.524 -12.101 -0.539 1.00 1.00 H new ATOM 0 HG23 VAL A 71 3.735 -11.574 0.655 1.00 1.00 H new ATOM 971 N HIS A 72 6.402 -12.771 -3.606 1.00 1.00 N ATOM 972 CA HIS A 72 7.479 -12.527 -4.559 1.00 1.00 C ATOM 973 C HIS A 72 6.957 -12.536 -5.994 1.00 1.00 C ATOM 974 O HIS A 72 6.776 -13.593 -6.598 1.00 1.00 O ATOM 975 CB HIS A 72 8.585 -13.574 -4.393 1.00 1.00 C ATOM 976 CG HIS A 72 8.166 -14.963 -4.765 1.00 1.00 C ATOM 977 ND1 HIS A 72 7.173 -15.653 -4.102 1.00 1.00 N ATOM 978 CD2 HIS A 72 8.607 -15.789 -5.743 1.00 1.00 C ATOM 979 CE1 HIS A 72 7.023 -16.844 -4.656 1.00 1.00 C ATOM 980 NE2 HIS A 72 7.880 -16.950 -5.653 1.00 1.00 N ATOM 0 H HIS A 72 5.851 -13.609 -3.794 1.00 1.00 H new ATOM 0 HA HIS A 72 7.892 -11.539 -4.354 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.439 -13.286 -5.006 1.00 1.00 H new ATOM 0 HB3 HIS A 72 8.921 -13.572 -3.356 1.00 1.00 H new ATOM 0 HD2 HIS A 72 9.386 -15.574 -6.460 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.319 -17.601 -4.345 1.00 1.00 H new ATOM 0 HE2 HIS A 72 7.986 -17.763 -6.259 1.00 1.00 H new ATOM 989 N CYS A 73 6.725 -11.345 -6.534 1.00 1.00 N ATOM 990 CA CYS A 73 6.234 -11.203 -7.899 1.00 1.00 C ATOM 991 C CYS A 73 7.081 -10.193 -8.666 1.00 1.00 C ATOM 992 O CYS A 73 6.937 -8.984 -8.481 1.00 1.00 O ATOM 993 CB CYS A 73 4.766 -10.772 -7.894 1.00 1.00 C ATOM 994 SG CYS A 73 3.627 -12.034 -8.509 1.00 1.00 S ATOM 0 H CYS A 73 6.870 -10.461 -6.045 1.00 1.00 H new ATOM 0 HA CYS A 73 6.311 -12.169 -8.398 1.00 1.00 H new ATOM 0 HB2 CYS A 73 4.480 -10.504 -6.877 1.00 1.00 H new ATOM 0 HB3 CYS A 73 4.660 -9.874 -8.502 1.00 1.00 H new ATOM 0 HG CYS A 73 2.842 -11.511 -9.403 1.00 1.00 H new ATOM 1000 N SER A 74 7.971 -10.691 -9.517 1.00 1.00 N ATOM 1001 CA SER A 74 8.845 -9.819 -10.295 1.00 1.00 C ATOM 1002 C SER A 74 8.047 -8.897 -11.192 1.00 1.00 C ATOM 1003 O SER A 74 8.288 -7.689 -11.211 1.00 1.00 O ATOM 1004 CB SER A 74 9.832 -10.643 -11.123 1.00 1.00 C ATOM 1005 OG SER A 74 11.116 -10.044 -11.131 1.00 1.00 O ATOM 0 H SER A 74 8.107 -11.688 -9.686 1.00 1.00 H new ATOM 0 HA SER A 74 9.407 -9.203 -9.593 1.00 1.00 H new ATOM 0 HB2 SER A 74 9.900 -11.652 -10.715 1.00 1.00 H new ATOM 0 HB3 SER A 74 9.465 -10.737 -12.145 1.00 1.00 H new ATOM 0 HG SER A 74 11.729 -10.591 -11.666 1.00 1.00 H new ATOM 1011 N ASN A 75 7.083 -9.441 -11.921 1.00 1.00 N ATOM 1012 CA ASN A 75 6.274 -8.599 -12.777 1.00 1.00 C ATOM 1013 C ASN A 75 4.998 -8.212 -12.050 1.00 1.00 C ATOM 1014 O ASN A 75 3.997 -8.925 -12.094 1.00 1.00 O ATOM 1015 CB ASN A 75 5.942 -9.324 -14.083 1.00 1.00 C ATOM 1016 CG ASN A 75 6.193 -8.460 -15.304 1.00 1.00 C ATOM 1017 OD1 ASN A 75 5.256 -8.013 -15.965 1.00 1.00 O ATOM 1018 ND2 ASN A 75 7.463 -8.220 -15.608 1.00 1.00 N ATOM 0 H ASN A 75 6.849 -10.434 -11.936 1.00 1.00 H new ATOM 0 HA ASN A 75 6.835 -7.697 -13.021 1.00 1.00 H new ATOM 0 HB2 ASN A 75 6.541 -10.232 -14.154 1.00 1.00 H new ATOM 0 HB3 ASN A 75 4.897 -9.633 -14.068 1.00 1.00 H new ATOM 0 HD21 ASN A 75 7.694 -7.644 -16.418 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.208 -8.611 -15.032 1.00 1.00 H new ATOM 1025 N ASP A 76 5.049 -7.065 -11.388 1.00 1.00 N ATOM 1026 CA ASP A 76 3.899 -6.557 -10.649 1.00 1.00 C ATOM 1027 C ASP A 76 4.046 -5.064 -10.364 1.00 1.00 C ATOM 1028 O ASP A 76 5.134 -4.598 -10.026 1.00 1.00 O ATOM 1029 CB ASP A 76 3.728 -7.323 -9.338 1.00 1.00 C ATOM 1030 CG ASP A 76 2.315 -7.234 -8.798 1.00 1.00 C ATOM 1031 OD1 ASP A 76 1.432 -7.943 -9.325 1.00 1.00 O ATOM 1032 OD2 ASP A 76 2.090 -6.455 -7.848 1.00 1.00 O ATOM 0 H ASP A 76 5.874 -6.467 -11.347 1.00 1.00 H new ATOM 0 HA ASP A 76 3.012 -6.704 -11.266 1.00 1.00 H new ATOM 0 HB2 ASP A 76 3.989 -8.370 -9.495 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.423 -6.929 -8.597 1.00 1.00 H new ATOM 1037 N PRO A 77 2.952 -4.290 -10.482 1.00 1.00 N ATOM 1038 CA PRO A 77 2.989 -2.855 -10.217 1.00 1.00 C ATOM 1039 C PRO A 77 3.571 -2.557 -8.840 1.00 1.00 C ATOM 1040 O PRO A 77 4.206 -1.524 -8.630 1.00 1.00 O ATOM 1041 CB PRO A 77 1.522 -2.424 -10.276 1.00 1.00 C ATOM 1042 CG PRO A 77 0.804 -3.498 -11.016 1.00 1.00 C ATOM 1043 CD PRO A 77 1.611 -4.757 -10.869 1.00 1.00 C ATOM 0 HA PRO A 77 3.619 -2.326 -10.932 1.00 1.00 H new ATOM 0 HB2 PRO A 77 1.112 -2.300 -9.274 1.00 1.00 H new ATOM 0 HB3 PRO A 77 1.418 -1.465 -10.783 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -0.200 -3.636 -10.615 1.00 1.00 H new ATOM 0 HG3 PRO A 77 0.694 -3.233 -12.067 1.00 1.00 H new ATOM 0 HD2 PRO A 77 1.186 -5.415 -10.111 1.00 1.00 H new ATOM 0 HD3 PRO A 77 1.640 -5.321 -11.801 1.00 1.00 H new ATOM 1051 N LEU A 78 3.349 -3.478 -7.906 1.00 1.00 N ATOM 1052 CA LEU A 78 3.851 -3.330 -6.546 1.00 1.00 C ATOM 1053 C LEU A 78 5.370 -3.445 -6.521 1.00 1.00 C ATOM 1054 O LEU A 78 6.051 -2.664 -5.856 1.00 1.00 O ATOM 1055 CB LEU A 78 3.231 -4.392 -5.636 1.00 1.00 C ATOM 1056 CG LEU A 78 3.169 -4.020 -4.154 1.00 1.00 C ATOM 1057 CD1 LEU A 78 2.041 -3.031 -3.899 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.990 -5.266 -3.301 1.00 1.00 C ATOM 0 H LEU A 78 2.823 -4.337 -8.068 1.00 1.00 H new ATOM 0 HA LEU A 78 3.571 -2.342 -6.181 1.00 1.00 H new ATOM 0 HB2 LEU A 78 2.220 -4.602 -5.985 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.802 -5.315 -5.739 1.00 1.00 H new ATOM 0 HG LEU A 78 4.110 -3.545 -3.877 1.00 1.00 H new ATOM 0 HD11 LEU A 78 2.012 -2.778 -2.839 1.00 1.00 H new ATOM 0 HD12 LEU A 78 2.211 -2.127 -4.484 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.091 -3.479 -4.191 1.00 1.00 H new ATOM 0 HD21 LEU A 78 2.948 -4.984 -2.249 1.00 1.00 H new ATOM 0 HD22 LEU A 78 2.063 -5.768 -3.580 1.00 1.00 H new ATOM 0 HD23 LEU A 78 3.831 -5.941 -3.462 1.00 1.00 H new ATOM 1070 N GLY A 79 5.894 -4.421 -7.255 1.00 1.00 N ATOM 1071 CA GLY A 79 7.330 -4.618 -7.310 1.00 1.00 C ATOM 1072 C GLY A 79 8.058 -3.381 -7.796 1.00 1.00 C ATOM 1073 O GLY A 79 9.181 -3.106 -7.374 1.00 1.00 O ATOM 0 H GLY A 79 5.349 -5.079 -7.813 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.696 -4.888 -6.320 1.00 1.00 H new ATOM 0 HA3 GLY A 79 7.555 -5.454 -7.972 1.00 1.00 H new ATOM 1077 N GLU A 80 7.411 -2.631 -8.683 1.00 1.00 N ATOM 1078 CA GLU A 80 7.998 -1.413 -9.223 1.00 1.00 C ATOM 1079 C GLU A 80 7.818 -0.251 -8.247 1.00 1.00 C ATOM 1080 O GLU A 80 8.607 0.695 -8.238 1.00 1.00 O ATOM 1081 CB GLU A 80 7.377 -1.084 -10.592 1.00 1.00 C ATOM 1082 CG GLU A 80 6.066 -0.310 -10.530 1.00 1.00 C ATOM 1083 CD GLU A 80 5.989 0.790 -11.571 1.00 1.00 C ATOM 1084 OE1 GLU A 80 6.429 1.920 -11.274 1.00 1.00 O ATOM 1085 OE2 GLU A 80 5.489 0.521 -12.683 1.00 1.00 O ATOM 0 H GLU A 80 6.481 -2.847 -9.042 1.00 1.00 H new ATOM 0 HA GLU A 80 9.067 -1.572 -9.362 1.00 1.00 H new ATOM 0 HB2 GLU A 80 8.097 -0.506 -11.172 1.00 1.00 H new ATOM 0 HB3 GLU A 80 7.207 -2.016 -11.132 1.00 1.00 H new ATOM 0 HG2 GLU A 80 5.234 -1.000 -10.673 1.00 1.00 H new ATOM 0 HG3 GLU A 80 5.952 0.126 -9.537 1.00 1.00 H new ATOM 1092 N LEU A 81 6.773 -0.333 -7.427 1.00 1.00 N ATOM 1093 CA LEU A 81 6.483 0.704 -6.444 1.00 1.00 C ATOM 1094 C LEU A 81 7.438 0.611 -5.260 1.00 1.00 C ATOM 1095 O LEU A 81 8.197 1.540 -4.986 1.00 1.00 O ATOM 1096 CB LEU A 81 5.036 0.579 -5.959 1.00 1.00 C ATOM 1097 CG LEU A 81 4.567 1.687 -5.014 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.551 3.031 -5.725 1.00 1.00 C ATOM 1099 CD2 LEU A 81 3.188 1.360 -4.459 1.00 1.00 C ATOM 0 H LEU A 81 6.112 -1.110 -7.425 1.00 1.00 H new ATOM 0 HA LEU A 81 6.619 1.675 -6.921 1.00 1.00 H new ATOM 0 HB2 LEU A 81 4.379 0.563 -6.828 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.921 -0.380 -5.454 1.00 1.00 H new ATOM 0 HG LEU A 81 5.270 1.751 -4.183 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.214 3.804 -5.034 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.555 3.269 -6.075 1.00 1.00 H new ATOM 0 HD13 LEU A 81 3.872 2.984 -6.576 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.867 2.157 -3.788 1.00 1.00 H new ATOM 0 HD22 LEU A 81 2.477 1.269 -5.280 1.00 1.00 H new ATOM 0 HD23 LEU A 81 3.230 0.419 -3.910 1.00 1.00 H new ATOM 1111 N PHE A 82 7.397 -0.519 -4.560 1.00 1.00 N ATOM 1112 CA PHE A 82 8.262 -0.733 -3.406 1.00 1.00 C ATOM 1113 C PHE A 82 9.721 -0.858 -3.835 1.00 1.00 C ATOM 1114 O PHE A 82 10.631 -0.553 -3.064 1.00 1.00 O ATOM 1115 CB PHE A 82 7.834 -1.990 -2.643 1.00 1.00 C ATOM 1116 CG PHE A 82 6.447 -1.910 -2.063 1.00 1.00 C ATOM 1117 CD1 PHE A 82 5.941 -0.707 -1.594 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.651 -3.042 -1.987 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.669 -0.636 -1.060 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.377 -2.975 -1.454 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.886 -1.771 -0.990 1.00 1.00 C ATOM 0 H PHE A 82 6.775 -1.299 -4.772 1.00 1.00 H new ATOM 0 HA PHE A 82 8.167 0.132 -2.749 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.887 -2.847 -3.315 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.544 -2.173 -1.837 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.548 0.184 -1.647 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.030 -3.987 -2.348 1.00 1.00 H new ATOM 0 HE1 PHE A 82 4.287 0.307 -0.697 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.766 -3.864 -1.401 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.891 -1.717 -0.573 1.00 1.00 H new ATOM 1131 N GLY A 83 9.936 -1.306 -5.068 1.00 1.00 N ATOM 1132 CA GLY A 83 11.288 -1.459 -5.574 1.00 1.00 C ATOM 1133 C GLY A 83 11.935 -2.755 -5.126 1.00 1.00 C ATOM 1134 O GLY A 83 13.117 -2.779 -4.785 1.00 1.00 O ATOM 0 H GLY A 83 9.200 -1.565 -5.725 1.00 1.00 H new ATOM 0 HA2 GLY A 83 11.270 -1.424 -6.663 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.895 -0.619 -5.237 1.00 1.00 H new ATOM 1138 N VAL A 84 11.159 -3.834 -5.126 1.00 1.00 N ATOM 1139 CA VAL A 84 11.667 -5.138 -4.716 1.00 1.00 C ATOM 1140 C VAL A 84 10.975 -6.263 -5.481 1.00 1.00 C ATOM 1141 O VAL A 84 9.862 -6.095 -5.979 1.00 1.00 O ATOM 1142 CB VAL A 84 11.478 -5.369 -3.205 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.278 -4.352 -2.405 1.00 1.00 C ATOM 1144 CG2 VAL A 84 10.004 -5.310 -2.833 1.00 1.00 C ATOM 0 H VAL A 84 10.178 -3.831 -5.405 1.00 1.00 H new ATOM 0 HA VAL A 84 12.733 -5.146 -4.945 1.00 1.00 H new ATOM 0 HB VAL A 84 11.850 -6.364 -2.960 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.132 -4.531 -1.340 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.336 -4.449 -2.648 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.940 -3.346 -2.654 1.00 1.00 H new ATOM 0 HG21 VAL A 84 9.892 -5.476 -1.761 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.602 -4.331 -3.093 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.460 -6.081 -3.378 1.00 1.00 H new ATOM 1154 N GLN A 85 11.642 -7.409 -5.568 1.00 1.00 N ATOM 1155 CA GLN A 85 11.093 -8.561 -6.269 1.00 1.00 C ATOM 1156 C GLN A 85 10.350 -9.480 -5.304 1.00 1.00 C ATOM 1157 O GLN A 85 9.388 -10.148 -5.684 1.00 1.00 O ATOM 1158 CB GLN A 85 12.213 -9.331 -6.972 1.00 1.00 C ATOM 1159 CG GLN A 85 11.743 -10.606 -7.651 1.00 1.00 C ATOM 1160 CD GLN A 85 12.864 -11.335 -8.366 1.00 1.00 C ATOM 1161 OE1 GLN A 85 13.934 -10.773 -8.601 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.624 -12.593 -8.716 1.00 1.00 N ATOM 0 H GLN A 85 12.564 -7.564 -5.161 1.00 1.00 H new ATOM 0 HA GLN A 85 10.384 -8.203 -7.015 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.676 -8.683 -7.716 1.00 1.00 H new ATOM 0 HB3 GLN A 85 12.984 -9.581 -6.243 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.301 -11.268 -6.906 1.00 1.00 H new ATOM 0 HG3 GLN A 85 10.958 -10.363 -8.367 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.722 -13.019 -8.501 1.00 1.00 H new ATOM 0 HE22 GLN A 85 13.341 -13.133 -9.200 1.00 1.00 H new ATOM 1171 N GLU A 86 10.801 -9.508 -4.054 1.00 1.00 N ATOM 1172 CA GLU A 86 10.178 -10.345 -3.035 1.00 1.00 C ATOM 1173 C GLU A 86 10.257 -9.682 -1.664 1.00 1.00 C ATOM 1174 O GLU A 86 11.205 -8.954 -1.370 1.00 1.00 O ATOM 1175 CB GLU A 86 10.850 -11.719 -2.991 1.00 1.00 C ATOM 1176 CG GLU A 86 12.333 -11.660 -2.660 1.00 1.00 C ATOM 1177 CD GLU A 86 13.046 -12.967 -2.948 1.00 1.00 C ATOM 1178 OE1 GLU A 86 12.544 -14.025 -2.513 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.105 -12.932 -3.608 1.00 1.00 O ATOM 0 H GLU A 86 11.595 -8.961 -3.722 1.00 1.00 H new ATOM 0 HA GLU A 86 9.128 -10.472 -3.297 1.00 1.00 H new ATOM 0 HB2 GLU A 86 10.345 -12.338 -2.249 1.00 1.00 H new ATOM 0 HB3 GLU A 86 10.721 -12.209 -3.956 1.00 1.00 H new ATOM 0 HG2 GLU A 86 12.799 -10.861 -3.237 1.00 1.00 H new ATOM 0 HG3 GLU A 86 12.457 -11.407 -1.607 1.00 1.00 H new ATOM 1186 N PHE A 87 9.255 -9.938 -0.829 1.00 1.00 N ATOM 1187 CA PHE A 87 9.213 -9.363 0.510 1.00 1.00 C ATOM 1188 C PHE A 87 8.249 -10.132 1.406 1.00 1.00 C ATOM 1189 O PHE A 87 7.109 -10.397 1.025 1.00 1.00 O ATOM 1190 CB PHE A 87 8.800 -7.891 0.441 1.00 1.00 C ATOM 1191 CG PHE A 87 7.386 -7.684 -0.025 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.086 -7.651 -1.378 1.00 1.00 C ATOM 1193 CD2 PHE A 87 6.357 -7.525 0.890 1.00 1.00 C ATOM 1194 CE1 PHE A 87 5.786 -7.462 -1.809 1.00 1.00 C ATOM 1195 CE2 PHE A 87 5.056 -7.336 0.465 1.00 1.00 C ATOM 1196 CZ PHE A 87 4.770 -7.304 -0.886 1.00 1.00 C ATOM 0 H PHE A 87 8.463 -10.539 -1.056 1.00 1.00 H new ATOM 0 HA PHE A 87 10.212 -9.435 0.940 1.00 1.00 H new ATOM 0 HB2 PHE A 87 8.918 -7.443 1.427 1.00 1.00 H new ATOM 0 HB3 PHE A 87 9.476 -7.364 -0.232 1.00 1.00 H new ATOM 0 HD1 PHE A 87 7.877 -7.774 -2.103 1.00 1.00 H new ATOM 0 HD2 PHE A 87 6.575 -7.549 1.948 1.00 1.00 H new ATOM 0 HE1 PHE A 87 5.565 -7.438 -2.866 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.263 -7.213 1.188 1.00 1.00 H new ATOM 0 HZ PHE A 87 3.754 -7.156 -1.220 1.00 1.00 H new ATOM 1206 N SER A 88 8.711 -10.482 2.602 1.00 1.00 N ATOM 1207 CA SER A 88 7.886 -11.214 3.554 1.00 1.00 C ATOM 1208 C SER A 88 6.940 -10.265 4.284 1.00 1.00 C ATOM 1209 O SER A 88 7.304 -9.131 4.595 1.00 1.00 O ATOM 1210 CB SER A 88 8.767 -11.953 4.563 1.00 1.00 C ATOM 1211 OG SER A 88 7.983 -12.704 5.473 1.00 1.00 O ATOM 0 H SER A 88 9.652 -10.270 2.934 1.00 1.00 H new ATOM 0 HA SER A 88 7.292 -11.943 3.003 1.00 1.00 H new ATOM 0 HB2 SER A 88 9.452 -12.617 4.035 1.00 1.00 H new ATOM 0 HB3 SER A 88 9.378 -11.235 5.111 1.00 1.00 H new ATOM 0 HG SER A 88 8.570 -13.168 6.106 1.00 1.00 H new ATOM 1217 N VAL A 89 5.726 -10.734 4.555 1.00 1.00 N ATOM 1218 CA VAL A 89 4.735 -9.918 5.249 1.00 1.00 C ATOM 1219 C VAL A 89 4.824 -10.091 6.764 1.00 1.00 C ATOM 1220 O VAL A 89 3.933 -9.662 7.497 1.00 1.00 O ATOM 1221 CB VAL A 89 3.301 -10.247 4.790 1.00 1.00 C ATOM 1222 CG1 VAL A 89 3.021 -9.624 3.433 1.00 1.00 C ATOM 1223 CG2 VAL A 89 3.074 -11.749 4.752 1.00 1.00 C ATOM 0 H VAL A 89 5.406 -11.670 4.306 1.00 1.00 H new ATOM 0 HA VAL A 89 4.961 -8.883 4.994 1.00 1.00 H new ATOM 0 HB VAL A 89 2.605 -9.822 5.513 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.004 -9.866 3.124 1.00 1.00 H new ATOM 0 HG12 VAL A 89 3.132 -8.542 3.500 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.726 -10.016 2.700 1.00 1.00 H new ATOM 0 HG21 VAL A 89 2.055 -11.955 4.425 1.00 1.00 H new ATOM 0 HG22 VAL A 89 3.778 -12.206 4.056 1.00 1.00 H new ATOM 0 HG23 VAL A 89 3.227 -12.165 5.748 1.00 1.00 H new ATOM 1233 N LYS A 90 5.901 -10.719 7.230 1.00 1.00 N ATOM 1234 CA LYS A 90 6.096 -10.940 8.658 1.00 1.00 C ATOM 1235 C LYS A 90 6.473 -9.640 9.361 1.00 1.00 C ATOM 1236 O LYS A 90 6.100 -9.414 10.512 1.00 1.00 O ATOM 1237 CB LYS A 90 7.182 -11.993 8.888 1.00 1.00 C ATOM 1238 CG LYS A 90 7.437 -12.296 10.356 1.00 1.00 C ATOM 1239 CD LYS A 90 7.834 -13.750 10.563 1.00 1.00 C ATOM 1240 CE LYS A 90 8.982 -13.879 11.551 1.00 1.00 C ATOM 1241 NZ LYS A 90 10.295 -14.014 10.862 1.00 1.00 N ATOM 0 H LYS A 90 6.650 -11.082 6.640 1.00 1.00 H new ATOM 0 HA LYS A 90 5.157 -11.300 9.078 1.00 1.00 H new ATOM 0 HB2 LYS A 90 6.896 -12.914 8.380 1.00 1.00 H new ATOM 0 HB3 LYS A 90 8.110 -11.651 8.430 1.00 1.00 H new ATOM 0 HG2 LYS A 90 8.226 -11.645 10.731 1.00 1.00 H new ATOM 0 HG3 LYS A 90 6.540 -12.076 10.935 1.00 1.00 H new ATOM 0 HD2 LYS A 90 6.975 -14.315 10.926 1.00 1.00 H new ATOM 0 HD3 LYS A 90 8.123 -14.189 9.608 1.00 1.00 H new ATOM 0 HE2 LYS A 90 9.001 -13.004 12.201 1.00 1.00 H new ATOM 0 HE3 LYS A 90 8.816 -14.747 12.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 11.052 -14.099 11.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 10.286 -14.863 10.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 10.466 -13.174 10.273 1.00 1.00 H new ATOM 1255 N GLU A 91 7.212 -8.787 8.659 1.00 1.00 N ATOM 1256 CA GLU A 91 7.638 -7.508 9.213 1.00 1.00 C ATOM 1257 C GLU A 91 6.599 -6.426 8.938 1.00 1.00 C ATOM 1258 O GLU A 91 6.778 -5.589 8.053 1.00 1.00 O ATOM 1259 CB GLU A 91 8.989 -7.096 8.625 1.00 1.00 C ATOM 1260 CG GLU A 91 10.163 -7.874 9.197 1.00 1.00 C ATOM 1261 CD GLU A 91 10.513 -7.446 10.609 1.00 1.00 C ATOM 1262 OE1 GLU A 91 10.448 -6.232 10.894 1.00 1.00 O ATOM 1263 OE2 GLU A 91 10.850 -8.325 11.429 1.00 1.00 O ATOM 0 H GLU A 91 7.528 -8.959 7.705 1.00 1.00 H new ATOM 0 HA GLU A 91 7.741 -7.624 10.292 1.00 1.00 H new ATOM 0 HB2 GLU A 91 8.963 -7.235 7.544 1.00 1.00 H new ATOM 0 HB3 GLU A 91 9.146 -6.033 8.806 1.00 1.00 H new ATOM 0 HG2 GLU A 91 9.926 -8.938 9.192 1.00 1.00 H new ATOM 0 HG3 GLU A 91 11.032 -7.738 8.554 1.00 1.00 H new ATOM 1270 N HIS A 92 5.512 -6.452 9.700 1.00 1.00 N ATOM 1271 CA HIS A 92 4.440 -5.477 9.539 1.00 1.00 C ATOM 1272 C HIS A 92 4.951 -4.057 9.760 1.00 1.00 C ATOM 1273 O HIS A 92 4.438 -3.105 9.172 1.00 1.00 O ATOM 1274 CB HIS A 92 3.301 -5.780 10.514 1.00 1.00 C ATOM 1275 CG HIS A 92 2.583 -7.059 10.214 1.00 1.00 C ATOM 1276 ND1 HIS A 92 1.781 -7.707 11.130 1.00 1.00 N ATOM 1277 CD2 HIS A 92 2.550 -7.814 9.089 1.00 1.00 C ATOM 1278 CE1 HIS A 92 1.287 -8.803 10.583 1.00 1.00 C ATOM 1279 NE2 HIS A 92 1.738 -8.890 9.345 1.00 1.00 N ATOM 0 H HIS A 92 5.350 -7.139 10.437 1.00 1.00 H new ATOM 0 HA HIS A 92 4.067 -5.550 8.517 1.00 1.00 H new ATOM 0 HB2 HIS A 92 3.703 -5.827 11.526 1.00 1.00 H new ATOM 0 HB3 HIS A 92 2.586 -4.957 10.492 1.00 1.00 H new ATOM 0 HD2 HIS A 92 3.067 -7.607 8.163 1.00 1.00 H new ATOM 0 HE1 HIS A 92 0.627 -9.508 11.066 1.00 1.00 H new ATOM 0 HE2 HIS A 92 1.518 -9.636 8.686 1.00 1.00 H new ATOM 1288 N ARG A 93 5.962 -3.921 10.611 1.00 1.00 N ATOM 1289 CA ARG A 93 6.539 -2.615 10.908 1.00 1.00 C ATOM 1290 C ARG A 93 7.200 -2.012 9.672 1.00 1.00 C ATOM 1291 O ARG A 93 7.186 -0.796 9.478 1.00 1.00 O ATOM 1292 CB ARG A 93 7.561 -2.731 12.042 1.00 1.00 C ATOM 1293 CG ARG A 93 7.478 -1.600 13.053 1.00 1.00 C ATOM 1294 CD ARG A 93 8.818 -1.356 13.727 1.00 1.00 C ATOM 1295 NE ARG A 93 9.286 -2.534 14.453 1.00 1.00 N ATOM 1296 CZ ARG A 93 10.258 -2.506 15.361 1.00 1.00 C ATOM 1297 NH1 ARG A 93 10.867 -1.365 15.658 1.00 1.00 N ATOM 1298 NH2 ARG A 93 10.623 -3.624 15.975 1.00 1.00 N ATOM 0 H ARG A 93 6.399 -4.698 11.107 1.00 1.00 H new ATOM 0 HA ARG A 93 5.730 -1.954 11.221 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.413 -3.680 12.558 1.00 1.00 H new ATOM 0 HB3 ARG A 93 8.564 -2.753 11.615 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.149 -0.688 12.554 1.00 1.00 H new ATOM 0 HG3 ARG A 93 6.728 -1.839 13.807 1.00 1.00 H new ATOM 0 HD2 ARG A 93 9.556 -1.076 12.976 1.00 1.00 H new ATOM 0 HD3 ARG A 93 8.730 -0.516 14.416 1.00 1.00 H new ATOM 0 HE ARG A 93 8.842 -3.430 14.252 1.00 1.00 H new ATOM 0 HH11 ARG A 93 10.591 -0.502 15.189 1.00 1.00 H new ATOM 0 HH12 ARG A 93 11.611 -1.351 16.355 1.00 1.00 H new ATOM 0 HH21 ARG A 93 10.159 -4.504 15.751 1.00 1.00 H new ATOM 0 HH22 ARG A 93 11.368 -3.604 16.671 1.00 1.00 H new ATOM 1312 N ARG A 94 7.781 -2.870 8.840 1.00 1.00 N ATOM 1313 CA ARG A 94 8.451 -2.421 7.624 1.00 1.00 C ATOM 1314 C ARG A 94 7.440 -2.064 6.539 1.00 1.00 C ATOM 1315 O ARG A 94 7.599 -1.068 5.834 1.00 1.00 O ATOM 1316 CB ARG A 94 9.403 -3.504 7.113 1.00 1.00 C ATOM 1317 CG ARG A 94 10.522 -2.966 6.237 1.00 1.00 C ATOM 1318 CD ARG A 94 11.757 -3.850 6.305 1.00 1.00 C ATOM 1319 NE ARG A 94 11.757 -4.873 5.262 1.00 1.00 N ATOM 1320 CZ ARG A 94 12.830 -5.581 4.918 1.00 1.00 C ATOM 1321 NH1 ARG A 94 13.990 -5.381 5.531 1.00 1.00 N ATOM 1322 NH2 ARG A 94 12.744 -6.491 3.958 1.00 1.00 N ATOM 0 H ARG A 94 7.802 -3.879 8.985 1.00 1.00 H new ATOM 0 HA ARG A 94 9.023 -1.526 7.867 1.00 1.00 H new ATOM 0 HB2 ARG A 94 9.839 -4.025 7.966 1.00 1.00 H new ATOM 0 HB3 ARG A 94 8.832 -4.240 6.547 1.00 1.00 H new ATOM 0 HG2 ARG A 94 10.177 -2.899 5.205 1.00 1.00 H new ATOM 0 HG3 ARG A 94 10.779 -1.955 6.553 1.00 1.00 H new ATOM 0 HD2 ARG A 94 12.650 -3.233 6.207 1.00 1.00 H new ATOM 0 HD3 ARG A 94 11.806 -4.329 7.283 1.00 1.00 H new ATOM 0 HE ARG A 94 10.883 -5.055 4.768 1.00 1.00 H new ATOM 0 HH11 ARG A 94 14.062 -4.682 6.270 1.00 1.00 H new ATOM 0 HH12 ARG A 94 14.809 -5.927 5.263 1.00 1.00 H new ATOM 0 HH21 ARG A 94 11.855 -6.649 3.483 1.00 1.00 H new ATOM 0 HH22 ARG A 94 13.567 -7.034 3.694 1.00 1.00 H new ATOM 1336 N ILE A 95 6.404 -2.884 6.407 1.00 1.00 N ATOM 1337 CA ILE A 95 5.372 -2.654 5.404 1.00 1.00 C ATOM 1338 C ILE A 95 4.630 -1.345 5.662 1.00 1.00 C ATOM 1339 O ILE A 95 4.442 -0.538 4.753 1.00 1.00 O ATOM 1340 CB ILE A 95 4.358 -3.811 5.365 1.00 1.00 C ATOM 1341 CG1 ILE A 95 5.092 -5.147 5.231 1.00 1.00 C ATOM 1342 CG2 ILE A 95 3.377 -3.618 4.216 1.00 1.00 C ATOM 1343 CD1 ILE A 95 4.172 -6.329 5.023 1.00 1.00 C ATOM 0 H ILE A 95 6.257 -3.714 6.982 1.00 1.00 H new ATOM 0 HA ILE A 95 5.878 -2.594 4.440 1.00 1.00 H new ATOM 0 HB ILE A 95 3.793 -3.817 6.297 1.00 1.00 H new ATOM 0 HG12 ILE A 95 5.787 -5.087 4.393 1.00 1.00 H new ATOM 0 HG13 ILE A 95 5.688 -5.315 6.128 1.00 1.00 H new ATOM 0 HG21 ILE A 95 2.666 -4.444 4.202 1.00 1.00 H new ATOM 0 HG22 ILE A 95 2.839 -2.679 4.350 1.00 1.00 H new ATOM 0 HG23 ILE A 95 3.922 -3.592 3.273 1.00 1.00 H new ATOM 0 HD11 ILE A 95 4.764 -7.240 4.937 1.00 1.00 H new ATOM 0 HD12 ILE A 95 3.494 -6.416 5.872 1.00 1.00 H new ATOM 0 HD13 ILE A 95 3.594 -6.184 4.110 1.00 1.00 H new ATOM 1355 N TYR A 96 4.210 -1.142 6.907 1.00 1.00 N ATOM 1356 CA TYR A 96 3.488 0.069 7.284 1.00 1.00 C ATOM 1357 C TYR A 96 4.306 1.316 6.964 1.00 1.00 C ATOM 1358 O TYR A 96 3.778 2.302 6.449 1.00 1.00 O ATOM 1359 CB TYR A 96 3.144 0.040 8.774 1.00 1.00 C ATOM 1360 CG TYR A 96 1.782 0.613 9.094 1.00 1.00 C ATOM 1361 CD1 TYR A 96 1.547 1.980 9.013 1.00 1.00 C ATOM 1362 CD2 TYR A 96 0.733 -0.212 9.478 1.00 1.00 C ATOM 1363 CE1 TYR A 96 0.303 2.508 9.305 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -0.513 0.309 9.772 1.00 1.00 C ATOM 1365 CZ TYR A 96 -0.723 1.668 9.684 1.00 1.00 C ATOM 1366 OH TYR A 96 -1.962 2.190 9.976 1.00 1.00 O ATOM 0 H TYR A 96 4.357 -1.800 7.672 1.00 1.00 H new ATOM 0 HA TYR A 96 2.565 0.105 6.705 1.00 1.00 H new ATOM 0 HB2 TYR A 96 3.187 -0.990 9.128 1.00 1.00 H new ATOM 0 HB3 TYR A 96 3.902 0.598 9.324 1.00 1.00 H new ATOM 0 HD1 TYR A 96 2.349 2.641 8.717 1.00 1.00 H new ATOM 0 HD2 TYR A 96 0.893 -1.278 9.548 1.00 1.00 H new ATOM 0 HE1 TYR A 96 0.136 3.573 9.237 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -1.318 -0.346 10.069 1.00 1.00 H new ATOM 0 HH TYR A 96 -2.572 1.465 10.225 1.00 1.00 H new ATOM 1376 N ALA A 97 5.597 1.267 7.275 1.00 1.00 N ATOM 1377 CA ALA A 97 6.488 2.393 7.022 1.00 1.00 C ATOM 1378 C ALA A 97 6.813 2.521 5.536 1.00 1.00 C ATOM 1379 O ALA A 97 7.205 3.590 5.068 1.00 1.00 O ATOM 1380 CB ALA A 97 7.767 2.242 7.831 1.00 1.00 C ATOM 0 H ALA A 97 6.050 0.459 7.703 1.00 1.00 H new ATOM 0 HA ALA A 97 5.976 3.304 7.332 1.00 1.00 H new ATOM 0 HB1 ALA A 97 8.424 3.089 7.634 1.00 1.00 H new ATOM 0 HB2 ALA A 97 7.524 2.211 8.893 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.270 1.318 7.547 1.00 1.00 H new ATOM 1386 N MET A 98 6.648 1.428 4.798 1.00 1.00 N ATOM 1387 CA MET A 98 6.922 1.414 3.378 1.00 1.00 C ATOM 1388 C MET A 98 5.787 2.084 2.604 1.00 1.00 C ATOM 1389 O MET A 98 6.003 3.069 1.897 1.00 1.00 O ATOM 1390 CB MET A 98 7.118 -0.034 2.923 1.00 1.00 C ATOM 1391 CG MET A 98 6.859 -0.249 1.451 1.00 1.00 C ATOM 1392 SD MET A 98 8.008 -1.417 0.699 1.00 1.00 S ATOM 1393 CE MET A 98 7.372 -2.969 1.328 1.00 1.00 C ATOM 0 H MET A 98 6.323 0.536 5.171 1.00 1.00 H new ATOM 0 HA MET A 98 7.833 1.978 3.176 1.00 1.00 H new ATOM 0 HB2 MET A 98 8.138 -0.342 3.152 1.00 1.00 H new ATOM 0 HB3 MET A 98 6.453 -0.679 3.498 1.00 1.00 H new ATOM 0 HG2 MET A 98 5.840 -0.612 1.316 1.00 1.00 H new ATOM 0 HG3 MET A 98 6.929 0.707 0.932 1.00 1.00 H new ATOM 0 HE1 MET A 98 7.980 -3.791 0.950 1.00 1.00 H new ATOM 0 HE2 MET A 98 7.408 -2.962 2.417 1.00 1.00 H new ATOM 0 HE3 MET A 98 6.341 -3.099 1.000 1.00 1.00 H new ATOM 1403 N ILE A 99 4.579 1.548 2.745 1.00 1.00 N ATOM 1404 CA ILE A 99 3.413 2.098 2.062 1.00 1.00 C ATOM 1405 C ILE A 99 3.225 3.574 2.401 1.00 1.00 C ATOM 1406 O ILE A 99 2.688 4.341 1.603 1.00 1.00 O ATOM 1407 CB ILE A 99 2.129 1.332 2.431 1.00 1.00 C ATOM 1408 CG1 ILE A 99 1.982 1.236 3.951 1.00 1.00 C ATOM 1409 CG2 ILE A 99 2.140 -0.055 1.803 1.00 1.00 C ATOM 1410 CD1 ILE A 99 0.933 2.168 4.515 1.00 1.00 C ATOM 0 H ILE A 99 4.382 0.733 3.326 1.00 1.00 H new ATOM 0 HA ILE A 99 3.594 1.991 0.993 1.00 1.00 H new ATOM 0 HB ILE A 99 1.272 1.880 2.038 1.00 1.00 H new ATOM 0 HG12 ILE A 99 1.728 0.211 4.220 1.00 1.00 H new ATOM 0 HG13 ILE A 99 2.942 1.459 4.416 1.00 1.00 H new ATOM 0 HG21 ILE A 99 1.226 -0.584 2.073 1.00 1.00 H new ATOM 0 HG22 ILE A 99 2.199 0.037 0.719 1.00 1.00 H new ATOM 0 HG23 ILE A 99 3.003 -0.613 2.167 1.00 1.00 H new ATOM 0 HD11 ILE A 99 0.883 2.047 5.597 1.00 1.00 H new ATOM 0 HD12 ILE A 99 1.196 3.199 4.277 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -0.037 1.931 4.078 1.00 1.00 H new ATOM 1422 N SER A 100 3.674 3.966 3.591 1.00 1.00 N ATOM 1423 CA SER A 100 3.558 5.351 4.032 1.00 1.00 C ATOM 1424 C SER A 100 4.437 6.265 3.185 1.00 1.00 C ATOM 1425 O SER A 100 3.986 7.304 2.702 1.00 1.00 O ATOM 1426 CB SER A 100 3.946 5.474 5.507 1.00 1.00 C ATOM 1427 OG SER A 100 3.446 6.676 6.067 1.00 1.00 O ATOM 0 H SER A 100 4.121 3.344 4.265 1.00 1.00 H new ATOM 0 HA SER A 100 2.520 5.659 3.911 1.00 1.00 H new ATOM 0 HB2 SER A 100 3.555 4.621 6.061 1.00 1.00 H new ATOM 0 HB3 SER A 100 5.031 5.448 5.604 1.00 1.00 H new ATOM 0 HG SER A 100 3.706 6.730 7.010 1.00 1.00 H new ATOM 1433 N ARG A 101 5.693 5.869 3.008 1.00 1.00 N ATOM 1434 CA ARG A 101 6.639 6.649 2.217 1.00 1.00 C ATOM 1435 C ARG A 101 6.180 6.770 0.765 1.00 1.00 C ATOM 1436 O ARG A 101 6.656 7.631 0.026 1.00 1.00 O ATOM 1437 CB ARG A 101 8.029 6.011 2.273 1.00 1.00 C ATOM 1438 CG ARG A 101 8.569 5.856 3.685 1.00 1.00 C ATOM 1439 CD ARG A 101 9.596 4.738 3.772 1.00 1.00 C ATOM 1440 NE ARG A 101 10.965 5.245 3.713 1.00 1.00 N ATOM 1441 CZ ARG A 101 11.627 5.472 2.580 1.00 1.00 C ATOM 1442 NH1 ARG A 101 11.051 5.242 1.407 1.00 1.00 N ATOM 1443 NH2 ARG A 101 12.870 5.932 2.621 1.00 1.00 N ATOM 0 H ARG A 101 6.080 5.012 3.402 1.00 1.00 H new ATOM 0 HA ARG A 101 6.686 7.651 2.644 1.00 1.00 H new ATOM 0 HB2 ARG A 101 7.989 5.031 1.798 1.00 1.00 H new ATOM 0 HB3 ARG A 101 8.723 6.619 1.692 1.00 1.00 H new ATOM 0 HG2 ARG A 101 9.023 6.793 4.007 1.00 1.00 H new ATOM 0 HG3 ARG A 101 7.746 5.649 4.369 1.00 1.00 H new ATOM 0 HD2 ARG A 101 9.454 4.187 4.701 1.00 1.00 H new ATOM 0 HD3 ARG A 101 9.435 4.034 2.956 1.00 1.00 H new ATOM 0 HE ARG A 101 11.443 5.437 4.593 1.00 1.00 H new ATOM 0 HH11 ARG A 101 10.095 4.889 1.369 1.00 1.00 H new ATOM 0 HH12 ARG A 101 11.564 5.418 0.543 1.00 1.00 H new ATOM 0 HH21 ARG A 101 13.318 6.112 3.520 1.00 1.00 H new ATOM 0 HH22 ARG A 101 13.378 6.106 1.754 1.00 1.00 H new ATOM 1457 N ASN A 102 5.256 5.902 0.361 1.00 1.00 N ATOM 1458 CA ASN A 102 4.740 5.916 -1.003 1.00 1.00 C ATOM 1459 C ASN A 102 3.434 6.702 -1.087 1.00 1.00 C ATOM 1460 O ASN A 102 2.541 6.358 -1.862 1.00 1.00 O ATOM 1461 CB ASN A 102 4.522 4.486 -1.498 1.00 1.00 C ATOM 1462 CG ASN A 102 5.818 3.813 -1.905 1.00 1.00 C ATOM 1463 OD1 ASN A 102 6.844 4.471 -2.079 1.00 1.00 O ATOM 1464 ND2 ASN A 102 5.779 2.494 -2.061 1.00 1.00 N ATOM 0 H ASN A 102 4.850 5.182 0.958 1.00 1.00 H new ATOM 0 HA ASN A 102 5.476 6.407 -1.639 1.00 1.00 H new ATOM 0 HB2 ASN A 102 4.043 3.901 -0.713 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.839 4.498 -2.348 1.00 1.00 H new ATOM 0 HD21 ASN A 102 6.621 1.988 -2.335 1.00 1.00 H new ATOM 0 HD22 ASN A 102 4.907 1.988 -1.906 1.00 1.00 H new ATOM 1471 N LEU A 103 3.331 7.759 -0.288 1.00 1.00 N ATOM 1472 CA LEU A 103 2.135 8.594 -0.275 1.00 1.00 C ATOM 1473 C LEU A 103 2.478 10.030 -0.658 1.00 1.00 C ATOM 1474 O LEU A 103 3.256 10.696 0.024 1.00 1.00 O ATOM 1475 CB LEU A 103 1.479 8.563 1.108 1.00 1.00 C ATOM 1476 CG LEU A 103 0.754 7.260 1.452 1.00 1.00 C ATOM 1477 CD1 LEU A 103 0.279 7.276 2.899 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -0.416 7.036 0.505 1.00 1.00 C ATOM 0 H LEU A 103 4.061 8.058 0.359 1.00 1.00 H new ATOM 0 HA LEU A 103 1.433 8.197 -1.008 1.00 1.00 H new ATOM 0 HB2 LEU A 103 2.246 8.744 1.861 1.00 1.00 H new ATOM 0 HB3 LEU A 103 0.767 9.386 1.174 1.00 1.00 H new ATOM 0 HG LEU A 103 1.455 6.434 1.333 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -0.234 6.341 3.124 1.00 1.00 H new ATOM 0 HD12 LEU A 103 1.137 7.388 3.562 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -0.406 8.111 3.048 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -0.920 6.105 0.764 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -1.118 7.865 0.591 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -0.049 6.977 -0.520 1.00 1.00 H new ATOM 1490 N VAL A 104 1.898 10.499 -1.759 1.00 1.00 N ATOM 1491 CA VAL A 104 2.150 11.856 -2.237 1.00 1.00 C ATOM 1492 C VAL A 104 1.881 12.893 -1.139 1.00 1.00 C ATOM 1493 O VAL A 104 2.730 13.113 -0.275 1.00 1.00 O ATOM 1494 CB VAL A 104 1.319 12.184 -3.502 1.00 1.00 C ATOM 1495 CG1 VAL A 104 2.057 11.729 -4.752 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.062 11.544 -3.437 1.00 1.00 C ATOM 0 H VAL A 104 1.252 9.961 -2.336 1.00 1.00 H new ATOM 0 HA VAL A 104 3.205 11.905 -2.507 1.00 1.00 H new ATOM 0 HB VAL A 104 1.185 13.265 -3.546 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.461 11.966 -5.633 1.00 1.00 H new ATOM 0 HG12 VAL A 104 3.017 12.242 -4.815 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.223 10.653 -4.705 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -0.621 11.793 -4.339 1.00 1.00 H new ATOM 0 HG22 VAL A 104 0.042 10.462 -3.361 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.596 11.919 -2.564 1.00 1.00 H new