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 : amide:sc= -1.16 K(o=-1.8,f=1.9) USER MOD Set 1.2: A 63 TYR OH : rot 165:sc= -0.648 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.00561 X(o=0.01,f=-0.12) USER MOD Set 2.2: A 43 THR OG1 : rot -77:sc= 0.00489 USER MOD Set 3.1: A 36 SER OG : rot 120:sc= -0.484 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -171:sc= -2.44 (180deg=-1.92!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.28 (180deg=-1.39) USER MOD Single : A 40 GLN : amide:sc= -0.963 K(o=-0.96,f=-4.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 46 MET CE :methyl -107:sc= -8.09! (180deg=-16.3!) 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= -5.27! C(o=-5.3!,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 58 MET CE :methyl -143:sc= -2 (180deg=-4.43!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -6.53! C(o=-6.5!,f=-11!) USER MOD Single : A 68 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.18) USER MOD Single : A 69 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-2.2) USER MOD Single : A 72 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.3) USER MOD Single : A 73 CYS SG : rot -143:sc= -1.35 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.163 K(o=-0.16,f=-7!) USER MOD Single : A 85 GLN : amide:sc= -0.947 K(o=-0.95,f=-7.1!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.332 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 96 TYR OH : rot 118:sc= 1.41 USER MOD Single : A 98 MET CE :methyl -112:sc= -10.7! (180deg=-16.8!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -6.618 11.854 2.400 1.00 1.00 N ATOM 157 CA LEU A 23 -6.439 10.821 1.386 1.00 1.00 C ATOM 158 C LEU A 23 -5.161 11.044 0.587 1.00 1.00 C ATOM 159 O LEU A 23 -4.716 12.178 0.407 1.00 1.00 O ATOM 160 CB LEU A 23 -7.639 10.787 0.434 1.00 1.00 C ATOM 161 CG LEU A 23 -8.995 11.094 1.076 1.00 1.00 C ATOM 162 CD1 LEU A 23 -9.463 12.491 0.694 1.00 1.00 C ATOM 163 CD2 LEU A 23 -10.030 10.056 0.667 1.00 1.00 C ATOM 0 HA LEU A 23 -6.362 9.865 1.904 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -7.465 11.504 -0.368 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -7.689 9.800 -0.026 1.00 1.00 H new ATOM 0 HG LEU A 23 -8.877 11.053 2.159 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.428 12.691 1.159 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -8.735 13.225 1.038 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.562 12.558 -0.389 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.986 10.292 1.134 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.144 10.063 -0.417 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -9.702 9.068 0.991 1.00 1.00 H new ATOM 175 N VAL A 24 -4.585 9.952 0.095 1.00 1.00 N ATOM 176 CA VAL A 24 -3.370 10.023 -0.703 1.00 1.00 C ATOM 177 C VAL A 24 -3.694 9.815 -2.176 1.00 1.00 C ATOM 178 O VAL A 24 -4.801 9.402 -2.522 1.00 1.00 O ATOM 179 CB VAL A 24 -2.330 8.976 -0.259 1.00 1.00 C ATOM 180 CG1 VAL A 24 -1.820 9.291 1.138 1.00 1.00 C ATOM 181 CG2 VAL A 24 -2.919 7.575 -0.317 1.00 1.00 C ATOM 0 H VAL A 24 -4.942 9.007 0.236 1.00 1.00 H new ATOM 0 HA VAL A 24 -2.943 11.014 -0.553 1.00 1.00 H new ATOM 0 HB VAL A 24 -1.486 9.016 -0.948 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.087 8.541 1.435 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.354 10.276 1.142 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.653 9.282 1.840 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -2.168 6.851 0.000 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -3.783 7.516 0.345 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -3.229 7.352 -1.338 1.00 1.00 H new ATOM 191 N GLN A 25 -2.734 10.109 -3.043 1.00 1.00 N ATOM 192 CA GLN A 25 -2.940 9.959 -4.478 1.00 1.00 C ATOM 193 C GLN A 25 -2.018 8.891 -5.065 1.00 1.00 C ATOM 194 O GLN A 25 -0.863 9.166 -5.388 1.00 1.00 O ATOM 195 CB GLN A 25 -2.710 11.297 -5.181 1.00 1.00 C ATOM 196 CG GLN A 25 -3.127 11.296 -6.643 1.00 1.00 C ATOM 197 CD GLN A 25 -4.369 12.128 -6.897 1.00 1.00 C ATOM 198 OE1 GLN A 25 -5.492 11.659 -6.717 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.171 13.372 -7.317 1.00 1.00 N ATOM 0 H GLN A 25 -1.810 10.451 -2.780 1.00 1.00 H new ATOM 0 HA GLN A 25 -3.969 9.638 -4.640 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -3.264 12.074 -4.654 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.654 11.557 -5.113 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -2.307 11.679 -7.251 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -3.310 10.270 -6.964 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.222 13.719 -7.453 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -4.968 13.980 -7.504 1.00 1.00 H new ATOM 208 N PRO A 26 -2.516 7.650 -5.212 1.00 1.00 N ATOM 209 CA PRO A 26 -1.730 6.542 -5.768 1.00 1.00 C ATOM 210 C PRO A 26 -1.385 6.762 -7.237 1.00 1.00 C ATOM 211 O PRO A 26 -2.257 7.081 -8.045 1.00 1.00 O ATOM 212 CB PRO A 26 -2.657 5.325 -5.626 1.00 1.00 C ATOM 213 CG PRO A 26 -3.708 5.744 -4.655 1.00 1.00 C ATOM 214 CD PRO A 26 -3.875 7.222 -4.850 1.00 1.00 C ATOM 0 HA PRO A 26 -0.776 6.430 -5.253 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -3.095 5.050 -6.585 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -2.111 4.454 -5.263 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -4.644 5.217 -4.839 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -3.409 5.515 -3.632 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -4.595 7.449 -5.636 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -4.228 7.714 -3.943 1.00 1.00 H new ATOM 222 N THR A 27 -0.114 6.583 -7.581 1.00 1.00 N ATOM 223 CA THR A 27 0.333 6.754 -8.959 1.00 1.00 C ATOM 224 C THR A 27 -0.514 5.906 -9.906 1.00 1.00 C ATOM 225 O THR A 27 -1.165 4.952 -9.479 1.00 1.00 O ATOM 226 CB THR A 27 1.808 6.370 -9.090 1.00 1.00 C ATOM 227 OG1 THR A 27 1.984 4.980 -8.880 1.00 1.00 O ATOM 228 CG2 THR A 27 2.704 7.099 -8.113 1.00 1.00 C ATOM 0 H THR A 27 0.623 6.320 -6.927 1.00 1.00 H new ATOM 0 HA THR A 27 0.216 7.803 -9.231 1.00 1.00 H new ATOM 0 HB THR A 27 2.093 6.656 -10.103 1.00 1.00 H new ATOM 0 HG1 THR A 27 2.933 4.753 -8.970 1.00 1.00 H new ATOM 0 HG21 THR A 27 3.736 6.781 -8.259 1.00 1.00 H new ATOM 0 HG22 THR A 27 2.628 8.173 -8.282 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.394 6.869 -7.094 1.00 1.00 H new ATOM 236 N PRO A 28 -0.523 6.242 -11.207 1.00 1.00 N ATOM 237 CA PRO A 28 -1.302 5.503 -12.205 1.00 1.00 C ATOM 238 C PRO A 28 -1.142 3.991 -12.070 1.00 1.00 C ATOM 239 O PRO A 28 -2.089 3.236 -12.287 1.00 1.00 O ATOM 240 CB PRO A 28 -0.719 5.991 -13.530 1.00 1.00 C ATOM 241 CG PRO A 28 -0.243 7.373 -13.241 1.00 1.00 C ATOM 242 CD PRO A 28 0.220 7.367 -11.808 1.00 1.00 C ATOM 0 HA PRO A 28 -2.373 5.679 -12.102 1.00 1.00 H new ATOM 0 HB2 PRO A 28 0.098 5.351 -13.864 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -1.470 5.987 -14.320 1.00 1.00 H new ATOM 0 HG2 PRO A 28 0.570 7.653 -13.911 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -1.043 8.099 -13.389 1.00 1.00 H new ATOM 0 HD2 PRO A 28 1.298 7.220 -11.736 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -0.007 8.309 -11.309 1.00 1.00 H new ATOM 250 N LEU A 29 0.060 3.555 -11.705 1.00 1.00 N ATOM 251 CA LEU A 29 0.335 2.133 -11.536 1.00 1.00 C ATOM 252 C LEU A 29 -0.411 1.583 -10.325 1.00 1.00 C ATOM 253 O LEU A 29 -1.268 0.706 -10.454 1.00 1.00 O ATOM 254 CB LEU A 29 1.840 1.895 -11.379 1.00 1.00 C ATOM 255 CG LEU A 29 2.262 0.425 -11.287 1.00 1.00 C ATOM 256 CD1 LEU A 29 1.604 -0.394 -12.387 1.00 1.00 C ATOM 257 CD2 LEU A 29 3.777 0.303 -11.364 1.00 1.00 C ATOM 0 H LEU A 29 0.857 4.165 -11.521 1.00 1.00 H new ATOM 0 HA LEU A 29 -0.013 1.609 -12.426 1.00 1.00 H new ATOM 0 HB2 LEU A 29 2.354 2.352 -12.225 1.00 1.00 H new ATOM 0 HB3 LEU A 29 2.182 2.411 -10.482 1.00 1.00 H new ATOM 0 HG LEU A 29 1.931 0.032 -10.326 1.00 1.00 H new ATOM 0 HD11 LEU A 29 1.917 -1.435 -12.303 1.00 1.00 H new ATOM 0 HD12 LEU A 29 0.520 -0.332 -12.288 1.00 1.00 H new ATOM 0 HD13 LEU A 29 1.902 -0.003 -13.360 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.061 -0.747 -11.297 1.00 1.00 H new ATOM 0 HD22 LEU A 29 4.128 0.714 -12.311 1.00 1.00 H new ATOM 0 HD23 LEU A 29 4.229 0.854 -10.539 1.00 1.00 H new ATOM 269 N LEU A 30 -0.089 2.110 -9.147 1.00 1.00 N ATOM 270 CA LEU A 30 -0.739 1.679 -7.915 1.00 1.00 C ATOM 271 C LEU A 30 -2.254 1.807 -8.042 1.00 1.00 C ATOM 272 O LEU A 30 -3.006 0.975 -7.535 1.00 1.00 O ATOM 273 CB LEU A 30 -0.237 2.507 -6.729 1.00 1.00 C ATOM 274 CG LEU A 30 -0.650 1.993 -5.346 1.00 1.00 C ATOM 275 CD1 LEU A 30 -0.489 0.481 -5.260 1.00 1.00 C ATOM 276 CD2 LEU A 30 0.165 2.679 -4.258 1.00 1.00 C ATOM 0 H LEU A 30 0.617 2.835 -9.020 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.490 0.632 -7.740 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.851 2.549 -6.772 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.600 3.529 -6.841 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.703 2.232 -5.194 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -0.788 0.139 -4.269 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -1.117 0.005 -6.013 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.553 0.216 -5.436 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.141 2.302 -3.282 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.224 2.471 -4.411 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.004 3.755 -4.301 1.00 1.00 H new ATOM 288 N LEU A 31 -2.688 2.858 -8.731 1.00 1.00 N ATOM 289 CA LEU A 31 -4.109 3.114 -8.946 1.00 1.00 C ATOM 290 C LEU A 31 -4.825 1.870 -9.470 1.00 1.00 C ATOM 291 O LEU A 31 -5.676 1.300 -8.788 1.00 1.00 O ATOM 292 CB LEU A 31 -4.289 4.271 -9.933 1.00 1.00 C ATOM 293 CG LEU A 31 -4.815 5.570 -9.322 1.00 1.00 C ATOM 294 CD1 LEU A 31 -4.987 6.633 -10.397 1.00 1.00 C ATOM 295 CD2 LEU A 31 -6.129 5.323 -8.597 1.00 1.00 C ATOM 0 H LEU A 31 -2.071 3.551 -9.153 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.551 3.381 -7.986 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -3.330 4.474 -10.409 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.974 3.954 -10.719 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.086 5.931 -8.597 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.362 7.551 -9.944 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.026 6.829 -10.872 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.697 6.282 -11.146 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.489 6.258 -8.168 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.867 4.939 -9.302 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.974 4.595 -7.801 1.00 1.00 H new ATOM 307 N SER A 32 -4.477 1.460 -10.689 1.00 1.00 N ATOM 308 CA SER A 32 -5.088 0.289 -11.319 1.00 1.00 C ATOM 309 C SER A 32 -5.173 -0.889 -10.351 1.00 1.00 C ATOM 310 O SER A 32 -6.197 -1.569 -10.282 1.00 1.00 O ATOM 311 CB SER A 32 -4.297 -0.117 -12.563 1.00 1.00 C ATOM 312 OG SER A 32 -4.787 0.544 -13.717 1.00 1.00 O ATOM 0 H SER A 32 -3.772 1.923 -11.263 1.00 1.00 H new ATOM 0 HA SER A 32 -6.103 0.562 -11.609 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.243 0.123 -12.422 1.00 1.00 H new ATOM 0 HB3 SER A 32 -4.362 -1.196 -12.703 1.00 1.00 H new ATOM 0 HG SER A 32 -4.264 0.269 -14.499 1.00 1.00 H new ATOM 318 N LEU A 33 -4.105 -1.131 -9.593 1.00 1.00 N ATOM 319 CA LEU A 33 -4.111 -2.234 -8.631 1.00 1.00 C ATOM 320 C LEU A 33 -5.344 -2.124 -7.741 1.00 1.00 C ATOM 321 O LEU A 33 -5.936 -3.128 -7.347 1.00 1.00 O ATOM 322 CB LEU A 33 -2.841 -2.247 -7.771 1.00 1.00 C ATOM 323 CG LEU A 33 -1.593 -1.641 -8.421 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.372 -1.857 -7.540 1.00 1.00 C ATOM 325 CD2 LEU A 33 -1.367 -2.240 -9.802 1.00 1.00 C ATOM 0 H LEU A 33 -3.240 -0.591 -9.623 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.138 -3.170 -9.189 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.045 -1.707 -6.846 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.621 -3.279 -7.496 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.750 -0.568 -8.532 1.00 1.00 H new ATOM 0 HD11 LEU A 33 0.504 -1.420 -8.019 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.532 -1.381 -6.573 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.211 -2.925 -7.396 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -0.476 -1.798 -10.249 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.232 -3.318 -9.713 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -2.231 -2.033 -10.434 1.00 1.00 H new ATOM 337 N LEU A 34 -5.740 -0.885 -7.460 1.00 1.00 N ATOM 338 CA LEU A 34 -6.922 -0.621 -6.651 1.00 1.00 C ATOM 339 C LEU A 34 -8.170 -0.841 -7.497 1.00 1.00 C ATOM 340 O LEU A 34 -9.190 -1.331 -7.013 1.00 1.00 O ATOM 341 CB LEU A 34 -6.899 0.816 -6.114 1.00 1.00 C ATOM 342 CG LEU A 34 -5.565 1.265 -5.517 1.00 1.00 C ATOM 343 CD1 LEU A 34 -5.599 2.751 -5.193 1.00 1.00 C ATOM 344 CD2 LEU A 34 -5.240 0.454 -4.272 1.00 1.00 C ATOM 0 H LEU A 34 -5.256 -0.047 -7.783 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.930 -1.304 -5.801 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -7.163 1.495 -6.925 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -7.672 0.915 -5.352 1.00 1.00 H new ATOM 0 HG LEU A 34 -4.781 1.093 -6.255 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -4.641 3.053 -4.769 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -5.787 3.318 -6.105 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -6.393 2.948 -4.473 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -4.287 0.786 -3.860 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -6.026 0.596 -3.530 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.174 -0.602 -4.533 1.00 1.00 H new ATOM 356 N LYS A 35 -8.066 -0.484 -8.776 1.00 1.00 N ATOM 357 CA LYS A 35 -9.168 -0.643 -9.717 1.00 1.00 C ATOM 358 C LYS A 35 -9.645 -2.092 -9.746 1.00 1.00 C ATOM 359 O LYS A 35 -10.841 -2.362 -9.858 1.00 1.00 O ATOM 360 CB LYS A 35 -8.725 -0.213 -11.119 1.00 1.00 C ATOM 361 CG LYS A 35 -8.938 1.263 -11.408 1.00 1.00 C ATOM 362 CD LYS A 35 -8.104 2.141 -10.490 1.00 1.00 C ATOM 363 CE LYS A 35 -7.957 3.546 -11.050 1.00 1.00 C ATOM 364 NZ LYS A 35 -7.015 3.588 -12.203 1.00 1.00 N ATOM 0 H LYS A 35 -7.223 -0.080 -9.184 1.00 1.00 H new ATOM 0 HA LYS A 35 -9.994 -0.011 -9.391 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.668 -0.448 -11.243 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.271 -0.800 -11.858 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -8.679 1.472 -12.446 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -9.993 1.509 -11.287 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -8.570 2.187 -9.506 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -7.118 1.696 -10.355 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -8.933 3.915 -11.365 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -7.601 4.214 -10.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -6.588 4.534 -12.268 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -6.267 2.879 -12.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -7.532 3.381 -13.081 1.00 1.00 H new ATOM 378 N SER A 36 -8.698 -3.019 -9.642 1.00 1.00 N ATOM 379 CA SER A 36 -9.013 -4.442 -9.653 1.00 1.00 C ATOM 380 C SER A 36 -9.254 -4.959 -8.236 1.00 1.00 C ATOM 381 O SER A 36 -9.911 -5.982 -8.043 1.00 1.00 O ATOM 382 CB SER A 36 -7.878 -5.231 -10.310 1.00 1.00 C ATOM 383 OG SER A 36 -8.387 -6.225 -11.183 1.00 1.00 O ATOM 0 H SER A 36 -7.704 -2.809 -9.549 1.00 1.00 H new ATOM 0 HA SER A 36 -9.927 -4.582 -10.231 1.00 1.00 H new ATOM 0 HB2 SER A 36 -7.232 -4.551 -10.865 1.00 1.00 H new ATOM 0 HB3 SER A 36 -7.263 -5.698 -9.541 1.00 1.00 H new ATOM 0 HG SER A 36 -8.061 -6.060 -12.092 1.00 1.00 H new ATOM 389 N ALA A 37 -8.717 -4.247 -7.248 1.00 1.00 N ATOM 390 CA ALA A 37 -8.875 -4.637 -5.851 1.00 1.00 C ATOM 391 C ALA A 37 -10.219 -4.178 -5.286 1.00 1.00 C ATOM 392 O ALA A 37 -10.505 -4.383 -4.106 1.00 1.00 O ATOM 393 CB ALA A 37 -7.732 -4.074 -5.017 1.00 1.00 C ATOM 0 H ALA A 37 -8.169 -3.398 -7.390 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.851 -5.726 -5.804 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.860 -4.371 -3.976 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.784 -4.461 -5.391 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.733 -2.986 -5.086 1.00 1.00 H new ATOM 399 N GLY A 38 -11.043 -3.555 -6.127 1.00 1.00 N ATOM 400 CA GLY A 38 -12.339 -3.082 -5.678 1.00 1.00 C ATOM 401 C GLY A 38 -12.338 -1.594 -5.399 1.00 1.00 C ATOM 402 O GLY A 38 -12.969 -1.131 -4.448 1.00 1.00 O ATOM 0 H GLY A 38 -10.835 -3.371 -7.108 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -13.089 -3.308 -6.436 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -12.627 -3.619 -4.775 1.00 1.00 H new ATOM 406 N ALA A 39 -11.619 -0.844 -6.227 1.00 1.00 N ATOM 407 CA ALA A 39 -11.525 0.600 -6.066 1.00 1.00 C ATOM 408 C ALA A 39 -12.149 1.329 -7.263 1.00 1.00 C ATOM 409 O ALA A 39 -12.099 0.829 -8.387 1.00 1.00 O ATOM 410 CB ALA A 39 -10.072 1.009 -5.897 1.00 1.00 C ATOM 0 H ALA A 39 -11.092 -1.214 -7.018 1.00 1.00 H new ATOM 0 HA ALA A 39 -12.081 0.883 -5.173 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -10.010 2.091 -5.777 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -9.657 0.522 -5.015 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -9.505 0.708 -6.778 1.00 1.00 H new ATOM 416 N GLN A 40 -12.737 2.507 -7.029 1.00 1.00 N ATOM 417 CA GLN A 40 -13.357 3.271 -8.107 1.00 1.00 C ATOM 418 C GLN A 40 -12.674 4.625 -8.284 1.00 1.00 C ATOM 419 O GLN A 40 -12.087 4.902 -9.330 1.00 1.00 O ATOM 420 CB GLN A 40 -14.847 3.471 -7.826 1.00 1.00 C ATOM 421 CG GLN A 40 -15.701 2.268 -8.193 1.00 1.00 C ATOM 422 CD GLN A 40 -15.800 2.059 -9.691 1.00 1.00 C ATOM 423 OE1 GLN A 40 -14.961 2.539 -10.454 1.00 1.00 O ATOM 424 NE2 GLN A 40 -16.830 1.339 -10.121 1.00 1.00 N ATOM 0 H GLN A 40 -12.795 2.946 -6.110 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.240 2.705 -9.031 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -14.982 3.693 -6.767 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -15.200 4.340 -8.382 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -15.280 1.374 -7.732 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -16.702 2.398 -7.781 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -17.502 0.960 -9.453 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -16.949 1.165 -11.119 1.00 1.00 H new ATOM 433 N LYS A 41 -12.756 5.465 -7.256 1.00 1.00 N ATOM 434 CA LYS A 41 -12.148 6.792 -7.300 1.00 1.00 C ATOM 435 C LYS A 41 -10.656 6.704 -7.609 1.00 1.00 C ATOM 436 O LYS A 41 -10.111 5.613 -7.779 1.00 1.00 O ATOM 437 CB LYS A 41 -12.364 7.523 -5.972 1.00 1.00 C ATOM 438 CG LYS A 41 -11.938 6.717 -4.756 1.00 1.00 C ATOM 439 CD LYS A 41 -13.136 6.161 -4.002 1.00 1.00 C ATOM 440 CE LYS A 41 -12.776 5.806 -2.568 1.00 1.00 C ATOM 441 NZ LYS A 41 -13.417 4.535 -2.132 1.00 1.00 N ATOM 0 H LYS A 41 -13.237 5.251 -6.383 1.00 1.00 H new ATOM 0 HA LYS A 41 -12.631 7.354 -8.099 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -11.808 8.461 -5.989 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -13.419 7.780 -5.876 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -11.293 5.896 -5.071 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -11.349 7.347 -4.090 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -13.942 6.895 -4.005 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -13.510 5.275 -4.514 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -11.694 5.716 -2.477 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -13.085 6.614 -1.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.146 4.329 -1.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.451 4.629 -2.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.102 3.758 -2.748 1.00 1.00 H new ATOM 455 N GLU A 42 -10.003 7.860 -7.686 1.00 1.00 N ATOM 456 CA GLU A 42 -8.575 7.915 -7.981 1.00 1.00 C ATOM 457 C GLU A 42 -7.756 8.134 -6.712 1.00 1.00 C ATOM 458 O GLU A 42 -6.595 7.732 -6.636 1.00 1.00 O ATOM 459 CB GLU A 42 -8.286 9.031 -8.986 1.00 1.00 C ATOM 460 CG GLU A 42 -9.108 8.931 -10.260 1.00 1.00 C ATOM 461 CD GLU A 42 -8.667 7.786 -11.150 1.00 1.00 C ATOM 462 OE1 GLU A 42 -8.672 6.630 -10.677 1.00 1.00 O ATOM 463 OE2 GLU A 42 -8.316 8.045 -12.320 1.00 1.00 O ATOM 0 H GLU A 42 -10.440 8.771 -7.548 1.00 1.00 H new ATOM 0 HA GLU A 42 -8.285 6.957 -8.413 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -8.480 9.994 -8.513 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -7.227 9.011 -9.244 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -10.159 8.801 -10.001 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -9.030 9.867 -10.813 1.00 1.00 H new ATOM 470 N THR A 43 -8.364 8.772 -5.717 1.00 1.00 N ATOM 471 CA THR A 43 -7.682 9.039 -4.455 1.00 1.00 C ATOM 472 C THR A 43 -8.155 8.076 -3.372 1.00 1.00 C ATOM 473 O THR A 43 -9.291 7.605 -3.401 1.00 1.00 O ATOM 474 CB THR A 43 -7.922 10.484 -4.014 1.00 1.00 C ATOM 475 OG1 THR A 43 -8.366 11.276 -5.101 1.00 1.00 O ATOM 476 CG2 THR A 43 -6.689 11.146 -3.437 1.00 1.00 C ATOM 0 H THR A 43 -9.324 9.113 -5.759 1.00 1.00 H new ATOM 0 HA THR A 43 -6.613 8.890 -4.608 1.00 1.00 H new ATOM 0 HB THR A 43 -8.682 10.424 -3.235 1.00 1.00 H new ATOM 0 HG1 THR A 43 -7.605 11.494 -5.679 1.00 1.00 H new ATOM 0 HG21 THR A 43 -6.928 12.168 -3.144 1.00 1.00 H new ATOM 0 HG22 THR A 43 -6.351 10.588 -2.564 1.00 1.00 H new ATOM 0 HG23 THR A 43 -5.898 11.159 -4.187 1.00 1.00 H new ATOM 484 N PHE A 44 -7.276 7.781 -2.420 1.00 1.00 N ATOM 485 CA PHE A 44 -7.609 6.866 -1.333 1.00 1.00 C ATOM 486 C PHE A 44 -6.776 7.158 -0.091 1.00 1.00 C ATOM 487 O PHE A 44 -5.626 7.583 -0.190 1.00 1.00 O ATOM 488 CB PHE A 44 -7.366 5.419 -1.766 1.00 1.00 C ATOM 489 CG PHE A 44 -8.119 5.013 -2.998 1.00 1.00 C ATOM 490 CD1 PHE A 44 -7.612 5.289 -4.257 1.00 1.00 C ATOM 491 CD2 PHE A 44 -9.327 4.344 -2.897 1.00 1.00 C ATOM 492 CE1 PHE A 44 -8.297 4.906 -5.394 1.00 1.00 C ATOM 493 CE2 PHE A 44 -10.018 3.962 -4.030 1.00 1.00 C ATOM 494 CZ PHE A 44 -9.502 4.243 -5.280 1.00 1.00 C ATOM 0 H PHE A 44 -6.330 8.161 -2.379 1.00 1.00 H new ATOM 0 HA PHE A 44 -8.662 7.010 -1.093 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.300 5.278 -1.942 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.644 4.755 -0.948 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.670 5.810 -4.351 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -9.733 4.119 -1.922 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -7.890 5.125 -6.370 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -10.961 3.444 -3.939 1.00 1.00 H new ATOM 0 HZ PHE A 44 -10.041 3.944 -6.167 1.00 1.00 H new ATOM 504 N THR A 45 -7.355 6.903 1.077 1.00 1.00 N ATOM 505 CA THR A 45 -6.650 7.113 2.333 1.00 1.00 C ATOM 506 C THR A 45 -5.685 5.959 2.575 1.00 1.00 C ATOM 507 O THR A 45 -5.921 4.840 2.119 1.00 1.00 O ATOM 508 CB THR A 45 -7.639 7.227 3.496 1.00 1.00 C ATOM 509 OG1 THR A 45 -8.589 6.177 3.451 1.00 1.00 O ATOM 510 CG2 THR A 45 -8.401 8.535 3.510 1.00 1.00 C ATOM 0 H THR A 45 -8.307 6.552 1.179 1.00 1.00 H new ATOM 0 HA THR A 45 -6.090 8.046 2.270 1.00 1.00 H new ATOM 0 HB THR A 45 -7.030 7.171 4.398 1.00 1.00 H new ATOM 0 HG1 THR A 45 -9.211 6.266 4.203 1.00 1.00 H new ATOM 0 HG21 THR A 45 -9.084 8.549 4.360 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.699 9.364 3.595 1.00 1.00 H new ATOM 0 HG23 THR A 45 -8.970 8.635 2.586 1.00 1.00 H new ATOM 518 N MET A 46 -4.591 6.233 3.278 1.00 1.00 N ATOM 519 CA MET A 46 -3.590 5.208 3.556 1.00 1.00 C ATOM 520 C MET A 46 -4.234 3.915 4.050 1.00 1.00 C ATOM 521 O MET A 46 -3.705 2.827 3.829 1.00 1.00 O ATOM 522 CB MET A 46 -2.572 5.716 4.576 1.00 1.00 C ATOM 523 CG MET A 46 -1.147 5.700 4.052 1.00 1.00 C ATOM 524 SD MET A 46 0.048 5.184 5.297 1.00 1.00 S ATOM 525 CE MET A 46 0.210 3.444 4.903 1.00 1.00 C ATOM 0 H MET A 46 -4.375 7.152 3.664 1.00 1.00 H new ATOM 0 HA MET A 46 -3.074 4.989 2.621 1.00 1.00 H new ATOM 0 HB2 MET A 46 -2.835 6.733 4.867 1.00 1.00 H new ATOM 0 HB3 MET A 46 -2.629 5.102 5.475 1.00 1.00 H new ATOM 0 HG2 MET A 46 -1.087 5.027 3.196 1.00 1.00 H new ATOM 0 HG3 MET A 46 -0.885 6.696 3.694 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.294 2.850 5.665 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.243 3.247 3.931 1.00 1.00 H new ATOM 0 HE3 MET A 46 1.266 3.175 4.872 1.00 1.00 H new ATOM 535 N LYS A 47 -5.380 4.038 4.709 1.00 1.00 N ATOM 536 CA LYS A 47 -6.090 2.870 5.216 1.00 1.00 C ATOM 537 C LYS A 47 -6.693 2.075 4.064 1.00 1.00 C ATOM 538 O LYS A 47 -6.581 0.851 4.017 1.00 1.00 O ATOM 539 CB LYS A 47 -7.186 3.293 6.196 1.00 1.00 C ATOM 540 CG LYS A 47 -7.336 2.356 7.384 1.00 1.00 C ATOM 541 CD LYS A 47 -6.121 2.409 8.296 1.00 1.00 C ATOM 542 CE LYS A 47 -6.070 3.710 9.081 1.00 1.00 C ATOM 543 NZ LYS A 47 -4.764 3.890 9.773 1.00 1.00 N ATOM 0 H LYS A 47 -5.836 4.930 4.904 1.00 1.00 H new ATOM 0 HA LYS A 47 -5.377 2.236 5.744 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -6.968 4.297 6.561 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -8.136 3.347 5.664 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -8.228 2.625 7.950 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -7.480 1.336 7.028 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -6.147 1.567 8.987 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -5.213 2.306 7.701 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -6.242 4.548 8.406 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -6.875 3.722 9.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -4.770 4.788 10.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -4.611 3.104 10.436 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -3.998 3.904 9.070 1.00 1.00 H new ATOM 557 N GLU A 48 -7.320 2.782 3.128 1.00 1.00 N ATOM 558 CA GLU A 48 -7.924 2.138 1.968 1.00 1.00 C ATOM 559 C GLU A 48 -6.839 1.591 1.050 1.00 1.00 C ATOM 560 O GLU A 48 -6.907 0.445 0.605 1.00 1.00 O ATOM 561 CB GLU A 48 -8.808 3.122 1.202 1.00 1.00 C ATOM 562 CG GLU A 48 -9.740 3.930 2.093 1.00 1.00 C ATOM 563 CD GLU A 48 -11.199 3.572 1.888 1.00 1.00 C ATOM 564 OE1 GLU A 48 -11.543 2.380 2.032 1.00 1.00 O ATOM 565 OE2 GLU A 48 -11.997 4.483 1.582 1.00 1.00 O ATOM 0 H GLU A 48 -7.422 3.797 3.150 1.00 1.00 H new ATOM 0 HA GLU A 48 -8.546 1.314 2.318 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -8.172 3.807 0.641 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -9.403 2.571 0.474 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -9.472 3.765 3.137 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -9.599 4.992 1.892 1.00 1.00 H new ATOM 572 N VAL A 49 -5.829 2.416 0.781 1.00 1.00 N ATOM 573 CA VAL A 49 -4.717 2.012 -0.074 1.00 1.00 C ATOM 574 C VAL A 49 -4.124 0.695 0.411 1.00 1.00 C ATOM 575 O VAL A 49 -3.982 -0.258 -0.355 1.00 1.00 O ATOM 576 CB VAL A 49 -3.602 3.077 -0.100 1.00 1.00 C ATOM 577 CG1 VAL A 49 -2.615 2.787 -1.221 1.00 1.00 C ATOM 578 CG2 VAL A 49 -4.187 4.477 -0.243 1.00 1.00 C ATOM 0 H VAL A 49 -5.759 3.367 1.143 1.00 1.00 H new ATOM 0 HA VAL A 49 -5.115 1.895 -1.082 1.00 1.00 H new ATOM 0 HB VAL A 49 -3.068 3.033 0.849 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.835 3.548 -1.225 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -2.165 1.807 -1.065 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -3.137 2.798 -2.178 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -3.379 5.209 -0.259 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -4.753 4.542 -1.172 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -4.847 4.683 0.599 1.00 1.00 H new ATOM 588 N LEU A 50 -3.788 0.654 1.694 1.00 1.00 N ATOM 589 CA LEU A 50 -3.216 -0.538 2.304 1.00 1.00 C ATOM 590 C LEU A 50 -4.248 -1.664 2.384 1.00 1.00 C ATOM 591 O LEU A 50 -3.893 -2.831 2.552 1.00 1.00 O ATOM 592 CB LEU A 50 -2.690 -0.205 3.702 1.00 1.00 C ATOM 593 CG LEU A 50 -1.270 -0.688 3.989 1.00 1.00 C ATOM 594 CD1 LEU A 50 -0.740 -0.059 5.269 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.228 -2.205 4.081 1.00 1.00 C ATOM 0 H LEU A 50 -3.903 1.439 2.336 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.390 -0.880 1.680 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.725 0.876 3.839 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.362 -0.642 4.440 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.629 -0.378 3.163 1.00 1.00 H new ATOM 0 HD11 LEU A 50 0.273 -0.415 5.457 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -0.730 1.026 5.164 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.383 -0.337 6.104 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -0.208 -2.529 4.286 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.883 -2.539 4.885 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.563 -2.636 3.138 1.00 1.00 H new ATOM 607 N TYR A 51 -5.524 -1.307 2.268 1.00 1.00 N ATOM 608 CA TYR A 51 -6.602 -2.289 2.334 1.00 1.00 C ATOM 609 C TYR A 51 -6.761 -3.032 1.009 1.00 1.00 C ATOM 610 O TYR A 51 -6.709 -4.264 0.969 1.00 1.00 O ATOM 611 CB TYR A 51 -7.920 -1.612 2.718 1.00 1.00 C ATOM 612 CG TYR A 51 -9.024 -2.586 3.064 1.00 1.00 C ATOM 613 CD1 TYR A 51 -9.834 -3.128 2.074 1.00 1.00 C ATOM 614 CD2 TYR A 51 -9.255 -2.964 4.381 1.00 1.00 C ATOM 615 CE1 TYR A 51 -10.843 -4.019 2.386 1.00 1.00 C ATOM 616 CE2 TYR A 51 -10.262 -3.855 4.701 1.00 1.00 C ATOM 617 CZ TYR A 51 -11.053 -4.379 3.701 1.00 1.00 C ATOM 618 OH TYR A 51 -12.057 -5.266 4.016 1.00 1.00 O ATOM 0 H TYR A 51 -5.837 -0.346 2.128 1.00 1.00 H new ATOM 0 HA TYR A 51 -6.339 -3.018 3.101 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -7.746 -0.955 3.570 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -8.249 -0.982 1.892 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -9.672 -2.848 1.043 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -8.638 -2.555 5.167 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -11.464 -4.431 1.604 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -10.428 -4.139 5.730 1.00 1.00 H new ATOM 0 HH TYR A 51 -12.071 -5.414 4.985 1.00 1.00 H new ATOM 628 N HIS A 52 -6.954 -2.287 -0.079 1.00 1.00 N ATOM 629 CA HIS A 52 -7.116 -2.906 -1.391 1.00 1.00 C ATOM 630 C HIS A 52 -5.908 -3.773 -1.721 1.00 1.00 C ATOM 631 O HIS A 52 -6.052 -4.877 -2.242 1.00 1.00 O ATOM 632 CB HIS A 52 -7.320 -1.855 -2.488 1.00 1.00 C ATOM 633 CG HIS A 52 -8.143 -0.677 -2.065 1.00 1.00 C ATOM 634 ND1 HIS A 52 -9.479 -0.773 -1.734 1.00 1.00 N ATOM 635 CD2 HIS A 52 -7.818 0.631 -1.931 1.00 1.00 C ATOM 636 CE1 HIS A 52 -9.939 0.424 -1.418 1.00 1.00 C ATOM 637 NE2 HIS A 52 -8.952 1.293 -1.529 1.00 1.00 N ATOM 0 H HIS A 52 -7.001 -1.268 -0.078 1.00 1.00 H new ATOM 0 HA HIS A 52 -8.008 -3.531 -1.352 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.345 -1.501 -2.822 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.798 -2.329 -3.345 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -10.026 -1.634 -1.733 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.848 1.071 -2.107 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.951 0.653 -1.119 1.00 1.00 H new ATOM 646 N LEU A 53 -4.715 -3.270 -1.407 1.00 1.00 N ATOM 647 CA LEU A 53 -3.485 -3.995 -1.658 1.00 1.00 C ATOM 648 C LEU A 53 -3.589 -5.440 -1.180 1.00 1.00 C ATOM 649 O LEU A 53 -3.324 -6.373 -1.938 1.00 1.00 O ATOM 650 CB LEU A 53 -2.328 -3.282 -0.965 1.00 1.00 C ATOM 651 CG LEU A 53 -1.204 -2.852 -1.897 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.755 -2.112 -3.107 1.00 1.00 C ATOM 653 CD2 LEU A 53 -0.183 -1.998 -1.157 1.00 1.00 C ATOM 0 H LEU A 53 -4.581 -2.356 -0.975 1.00 1.00 H new ATOM 0 HA LEU A 53 -3.304 -4.018 -2.733 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -2.715 -2.401 -0.452 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -1.917 -3.941 -0.200 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.699 -3.750 -2.253 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.932 -1.815 -3.758 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -2.434 -2.765 -3.655 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -2.294 -1.224 -2.776 1.00 1.00 H new ATOM 0 HD21 LEU A 53 0.610 -1.703 -1.844 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -0.671 -1.107 -0.762 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.244 -2.572 -0.335 1.00 1.00 H new ATOM 665 N GLY A 54 -3.991 -5.622 0.075 1.00 1.00 N ATOM 666 CA GLY A 54 -4.137 -6.962 0.611 1.00 1.00 C ATOM 667 C GLY A 54 -5.030 -7.815 -0.265 1.00 1.00 C ATOM 668 O GLY A 54 -4.739 -8.985 -0.515 1.00 1.00 O ATOM 0 H GLY A 54 -4.217 -4.870 0.726 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -3.156 -7.430 0.697 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -4.555 -6.909 1.616 1.00 1.00 H new ATOM 672 N GLN A 55 -6.113 -7.214 -0.748 1.00 1.00 N ATOM 673 CA GLN A 55 -7.048 -7.911 -1.622 1.00 1.00 C ATOM 674 C GLN A 55 -6.479 -8.011 -3.036 1.00 1.00 C ATOM 675 O GLN A 55 -6.801 -8.934 -3.785 1.00 1.00 O ATOM 676 CB GLN A 55 -8.394 -7.184 -1.650 1.00 1.00 C ATOM 677 CG GLN A 55 -9.039 -7.046 -0.281 1.00 1.00 C ATOM 678 CD GLN A 55 -10.496 -7.466 -0.277 1.00 1.00 C ATOM 679 OE1 GLN A 55 -11.370 -6.721 -0.720 1.00 1.00 O ATOM 680 NE2 GLN A 55 -10.765 -8.665 0.227 1.00 1.00 N ATOM 0 H GLN A 55 -6.364 -6.246 -0.548 1.00 1.00 H new ATOM 0 HA GLN A 55 -7.200 -8.917 -1.232 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -8.253 -6.191 -2.078 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -9.074 -7.722 -2.310 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -8.488 -7.652 0.439 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -8.963 -6.010 0.050 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -10.009 -9.250 0.583 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -11.728 -9.001 0.258 1.00 1.00 H new ATOM 689 N TYR A 56 -5.627 -7.051 -3.390 1.00 1.00 N ATOM 690 CA TYR A 56 -5.001 -7.018 -4.706 1.00 1.00 C ATOM 691 C TYR A 56 -4.081 -8.222 -4.892 1.00 1.00 C ATOM 692 O TYR A 56 -4.158 -8.926 -5.899 1.00 1.00 O ATOM 693 CB TYR A 56 -4.210 -5.713 -4.878 1.00 1.00 C ATOM 694 CG TYR A 56 -3.299 -5.698 -6.086 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.806 -5.489 -7.361 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.934 -5.908 -5.949 1.00 1.00 C ATOM 697 CE1 TYR A 56 -2.979 -5.492 -8.468 1.00 1.00 C ATOM 698 CE2 TYR A 56 -1.098 -5.907 -7.049 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.625 -5.701 -8.307 1.00 1.00 C ATOM 700 OH TYR A 56 -0.797 -5.704 -9.405 1.00 1.00 O ATOM 0 H TYR A 56 -5.354 -6.282 -2.778 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.782 -7.062 -5.465 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.912 -4.883 -4.955 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.612 -5.543 -3.983 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.865 -5.321 -7.490 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.518 -6.075 -4.966 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -3.390 -5.332 -9.454 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -0.037 -6.067 -6.925 1.00 1.00 H new ATOM 0 HH TYR A 56 0.126 -5.864 -9.118 1.00 1.00 H new ATOM 710 N ILE A 57 -3.213 -8.451 -3.913 1.00 1.00 N ATOM 711 CA ILE A 57 -2.278 -9.568 -3.965 1.00 1.00 C ATOM 712 C ILE A 57 -3.017 -10.899 -4.063 1.00 1.00 C ATOM 713 O ILE A 57 -2.773 -11.688 -4.975 1.00 1.00 O ATOM 714 CB ILE A 57 -1.358 -9.589 -2.729 1.00 1.00 C ATOM 715 CG1 ILE A 57 -0.649 -8.242 -2.573 1.00 1.00 C ATOM 716 CG2 ILE A 57 -0.343 -10.719 -2.838 1.00 1.00 C ATOM 717 CD1 ILE A 57 0.282 -8.183 -1.382 1.00 1.00 C ATOM 0 H ILE A 57 -3.138 -7.877 -3.073 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.668 -9.430 -4.858 1.00 1.00 H new ATOM 0 HB ILE A 57 -1.969 -9.763 -1.844 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -0.080 -8.033 -3.479 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -1.398 -7.455 -2.478 1.00 1.00 H new ATOM 0 HG21 ILE A 57 0.298 -10.718 -1.957 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -0.866 -11.673 -2.906 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.267 -10.576 -3.730 1.00 1.00 H new ATOM 0 HD11 ILE A 57 0.750 -7.200 -1.334 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -0.285 -8.360 -0.468 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.053 -8.947 -1.485 1.00 1.00 H new ATOM 729 N MET A 58 -3.923 -11.142 -3.120 1.00 1.00 N ATOM 730 CA MET A 58 -4.695 -12.380 -3.108 1.00 1.00 C ATOM 731 C MET A 58 -5.470 -12.544 -4.412 1.00 1.00 C ATOM 732 O MET A 58 -5.677 -13.661 -4.887 1.00 1.00 O ATOM 733 CB MET A 58 -5.655 -12.401 -1.917 1.00 1.00 C ATOM 734 CG MET A 58 -6.792 -11.398 -2.029 1.00 1.00 C ATOM 735 SD MET A 58 -7.871 -11.408 -0.585 1.00 1.00 S ATOM 736 CE MET A 58 -6.766 -10.766 0.670 1.00 1.00 C ATOM 0 H MET A 58 -4.140 -10.501 -2.357 1.00 1.00 H new ATOM 0 HA MET A 58 -4.000 -13.214 -3.011 1.00 1.00 H new ATOM 0 HB2 MET A 58 -6.074 -13.402 -1.818 1.00 1.00 H new ATOM 0 HB3 MET A 58 -5.093 -12.199 -1.005 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.378 -10.398 -2.161 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.381 -11.620 -2.919 1.00 1.00 H new ATOM 0 HE1 MET A 58 -6.956 -11.273 1.616 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.733 -10.938 0.368 1.00 1.00 H new ATOM 0 HE3 MET A 58 -6.935 -9.696 0.791 1.00 1.00 H new ATOM 746 N ALA A 59 -5.890 -11.422 -4.989 1.00 1.00 N ATOM 747 CA ALA A 59 -6.635 -11.441 -6.242 1.00 1.00 C ATOM 748 C ALA A 59 -5.724 -11.824 -7.402 1.00 1.00 C ATOM 749 O ALA A 59 -5.966 -12.812 -8.095 1.00 1.00 O ATOM 750 CB ALA A 59 -7.279 -10.087 -6.495 1.00 1.00 C ATOM 0 H ALA A 59 -5.727 -10.490 -4.609 1.00 1.00 H new ATOM 0 HA ALA A 59 -7.423 -12.190 -6.164 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.832 -10.117 -7.434 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.962 -9.851 -5.679 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.505 -9.321 -6.553 1.00 1.00 H new ATOM 756 N LYS A 60 -4.670 -11.039 -7.603 1.00 1.00 N ATOM 757 CA LYS A 60 -3.717 -11.301 -8.673 1.00 1.00 C ATOM 758 C LYS A 60 -2.977 -12.615 -8.431 1.00 1.00 C ATOM 759 O LYS A 60 -2.455 -13.225 -9.364 1.00 1.00 O ATOM 760 CB LYS A 60 -2.713 -10.152 -8.780 1.00 1.00 C ATOM 761 CG LYS A 60 -3.231 -8.959 -9.567 1.00 1.00 C ATOM 762 CD LYS A 60 -4.537 -8.434 -8.994 1.00 1.00 C ATOM 763 CE LYS A 60 -5.048 -7.233 -9.775 1.00 1.00 C ATOM 764 NZ LYS A 60 -6.212 -7.585 -10.634 1.00 1.00 N ATOM 0 H LYS A 60 -4.455 -10.217 -7.039 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.270 -11.381 -9.609 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.441 -9.824 -7.777 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.802 -10.520 -9.252 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.484 -8.165 -9.558 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -3.379 -9.246 -10.608 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.286 -9.225 -9.011 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.391 -8.155 -7.950 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.335 -6.443 -9.080 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.245 -6.835 -10.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.435 -6.786 -11.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.980 -8.421 -11.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.035 -7.794 -10.034 1.00 1.00 H new ATOM 778 N GLN A 61 -2.936 -13.046 -7.171 1.00 1.00 N ATOM 779 CA GLN A 61 -2.260 -14.286 -6.803 1.00 1.00 C ATOM 780 C GLN A 61 -0.750 -14.156 -6.977 1.00 1.00 C ATOM 781 O GLN A 61 -0.156 -14.789 -7.851 1.00 1.00 O ATOM 782 CB GLN A 61 -2.788 -15.453 -7.641 1.00 1.00 C ATOM 783 CG GLN A 61 -2.393 -16.818 -7.101 1.00 1.00 C ATOM 784 CD GLN A 61 -3.587 -17.638 -6.651 1.00 1.00 C ATOM 785 OE1 GLN A 61 -3.647 -18.846 -6.882 1.00 1.00 O ATOM 786 NE2 GLN A 61 -4.545 -16.984 -6.005 1.00 1.00 N ATOM 0 H GLN A 61 -3.364 -12.553 -6.388 1.00 1.00 H new ATOM 0 HA GLN A 61 -2.469 -14.484 -5.752 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.875 -15.392 -7.690 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.417 -15.354 -8.661 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.851 -17.366 -7.872 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -1.710 -16.688 -6.262 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.454 -15.982 -5.835 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.372 -17.483 -5.678 1.00 1.00 H new ATOM 795 N LEU A 62 -0.134 -13.329 -6.138 1.00 1.00 N ATOM 796 CA LEU A 62 1.308 -13.112 -6.196 1.00 1.00 C ATOM 797 C LEU A 62 2.014 -13.727 -4.986 1.00 1.00 C ATOM 798 O LEU A 62 3.239 -13.666 -4.878 1.00 1.00 O ATOM 799 CB LEU A 62 1.617 -11.614 -6.270 1.00 1.00 C ATOM 800 CG LEU A 62 0.604 -10.777 -7.054 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.099 -9.347 -7.207 1.00 1.00 C ATOM 802 CD2 LEU A 62 0.338 -11.400 -8.416 1.00 1.00 C ATOM 0 H LEU A 62 -0.611 -12.798 -5.409 1.00 1.00 H new ATOM 0 HA LEU A 62 1.681 -13.603 -7.095 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.680 -11.222 -5.255 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.600 -11.484 -6.723 1.00 1.00 H new ATOM 0 HG LEU A 62 -0.333 -10.758 -6.497 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.366 -8.766 -7.767 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.238 -8.903 -6.221 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.048 -9.346 -7.742 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.385 -10.791 -8.960 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.269 -11.450 -8.981 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -0.061 -12.406 -8.284 1.00 1.00 H new ATOM 814 N TYR A 63 1.239 -14.318 -4.079 1.00 1.00 N ATOM 815 CA TYR A 63 1.801 -14.938 -2.884 1.00 1.00 C ATOM 816 C TYR A 63 2.363 -16.320 -3.203 1.00 1.00 C ATOM 817 O TYR A 63 1.908 -16.987 -4.132 1.00 1.00 O ATOM 818 CB TYR A 63 0.733 -15.049 -1.795 1.00 1.00 C ATOM 819 CG TYR A 63 -0.512 -15.776 -2.246 1.00 1.00 C ATOM 820 CD1 TYR A 63 -0.506 -17.153 -2.429 1.00 1.00 C ATOM 821 CD2 TYR A 63 -1.693 -15.086 -2.491 1.00 1.00 C ATOM 822 CE1 TYR A 63 -1.640 -17.822 -2.845 1.00 1.00 C ATOM 823 CE2 TYR A 63 -2.832 -15.748 -2.907 1.00 1.00 C ATOM 824 CZ TYR A 63 -2.801 -17.116 -3.084 1.00 1.00 C ATOM 825 OH TYR A 63 -3.933 -17.779 -3.498 1.00 1.00 O ATOM 0 H TYR A 63 0.223 -14.380 -4.149 1.00 1.00 H new ATOM 0 HA TYR A 63 2.615 -14.308 -2.524 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.155 -15.567 -0.934 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.459 -14.048 -1.462 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.401 -17.710 -2.243 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -1.721 -14.015 -2.354 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -1.618 -18.893 -2.983 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.742 -15.197 -3.093 1.00 1.00 H new ATOM 0 HH TYR A 63 -4.712 -17.194 -3.392 1.00 1.00 H new ATOM 835 N ASP A 64 3.355 -16.744 -2.426 1.00 1.00 N ATOM 836 CA ASP A 64 3.980 -18.046 -2.626 1.00 1.00 C ATOM 837 C ASP A 64 3.152 -19.152 -1.978 1.00 1.00 C ATOM 838 O ASP A 64 2.569 -18.960 -0.910 1.00 1.00 O ATOM 839 CB ASP A 64 5.397 -18.049 -2.048 1.00 1.00 C ATOM 840 CG ASP A 64 6.103 -19.377 -2.245 1.00 1.00 C ATOM 841 OD1 ASP A 64 5.971 -19.962 -3.341 1.00 1.00 O ATOM 842 OD2 ASP A 64 6.787 -19.831 -1.304 1.00 1.00 O ATOM 0 H ASP A 64 3.743 -16.205 -1.652 1.00 1.00 H new ATOM 0 HA ASP A 64 4.032 -18.236 -3.698 1.00 1.00 H new ATOM 0 HB2 ASP A 64 5.980 -17.258 -2.520 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.352 -17.820 -0.983 1.00 1.00 H new ATOM 847 N GLU A 65 3.107 -20.310 -2.629 1.00 1.00 N ATOM 848 CA GLU A 65 2.353 -21.446 -2.113 1.00 1.00 C ATOM 849 C GLU A 65 2.955 -21.942 -0.803 1.00 1.00 C ATOM 850 O GLU A 65 2.246 -22.124 0.187 1.00 1.00 O ATOM 851 CB GLU A 65 2.328 -22.579 -3.142 1.00 1.00 C ATOM 852 CG GLU A 65 1.091 -22.572 -4.025 1.00 1.00 C ATOM 853 CD GLU A 65 -0.112 -23.199 -3.347 1.00 1.00 C ATOM 854 OE1 GLU A 65 -0.009 -24.366 -2.915 1.00 1.00 O ATOM 855 OE2 GLU A 65 -1.157 -22.523 -3.250 1.00 1.00 O ATOM 0 H GLU A 65 3.583 -20.486 -3.514 1.00 1.00 H new ATOM 0 HA GLU A 65 1.331 -21.119 -1.922 1.00 1.00 H new ATOM 0 HB2 GLU A 65 3.214 -22.506 -3.772 1.00 1.00 H new ATOM 0 HB3 GLU A 65 2.386 -23.534 -2.620 1.00 1.00 H new ATOM 0 HG2 GLU A 65 0.853 -21.545 -4.303 1.00 1.00 H new ATOM 0 HG3 GLU A 65 1.305 -23.110 -4.948 1.00 1.00 H new ATOM 862 N LYS A 66 4.269 -22.152 -0.801 1.00 1.00 N ATOM 863 CA LYS A 66 4.966 -22.619 0.393 1.00 1.00 C ATOM 864 C LYS A 66 4.743 -21.654 1.552 1.00 1.00 C ATOM 865 O LYS A 66 4.202 -22.031 2.592 1.00 1.00 O ATOM 866 CB LYS A 66 6.463 -22.765 0.114 1.00 1.00 C ATOM 867 CG LYS A 66 6.798 -23.906 -0.833 1.00 1.00 C ATOM 868 CD LYS A 66 8.294 -23.999 -1.083 1.00 1.00 C ATOM 869 CE LYS A 66 8.983 -24.846 -0.026 1.00 1.00 C ATOM 870 NZ LYS A 66 10.337 -25.285 -0.461 1.00 1.00 N ATOM 0 H LYS A 66 4.871 -22.006 -1.611 1.00 1.00 H new ATOM 0 HA LYS A 66 4.563 -23.594 0.666 1.00 1.00 H new ATOM 0 HB2 LYS A 66 6.838 -21.832 -0.307 1.00 1.00 H new ATOM 0 HB3 LYS A 66 6.986 -22.922 1.057 1.00 1.00 H new ATOM 0 HG2 LYS A 66 6.439 -24.846 -0.414 1.00 1.00 H new ATOM 0 HG3 LYS A 66 6.278 -23.760 -1.780 1.00 1.00 H new ATOM 0 HD2 LYS A 66 8.473 -24.428 -2.069 1.00 1.00 H new ATOM 0 HD3 LYS A 66 8.726 -22.998 -1.088 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.066 -24.275 0.899 1.00 1.00 H new ATOM 0 HE3 LYS A 66 8.371 -25.721 0.194 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.773 -25.860 0.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 10.256 -25.851 -1.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.930 -24.451 -0.646 1.00 1.00 H new ATOM 884 N GLN A 67 5.151 -20.405 1.358 1.00 1.00 N ATOM 885 CA GLN A 67 4.983 -19.379 2.381 1.00 1.00 C ATOM 886 C GLN A 67 3.959 -18.346 1.928 1.00 1.00 C ATOM 887 O GLN A 67 4.106 -17.732 0.871 1.00 1.00 O ATOM 888 CB GLN A 67 6.319 -18.690 2.691 1.00 1.00 C ATOM 889 CG GLN A 67 7.274 -18.623 1.509 1.00 1.00 C ATOM 890 CD GLN A 67 7.940 -19.954 1.220 1.00 1.00 C ATOM 891 OE1 GLN A 67 7.638 -20.963 1.857 1.00 1.00 O ATOM 892 NE2 GLN A 67 8.853 -19.963 0.256 1.00 1.00 N ATOM 0 H GLN A 67 5.600 -20.078 0.502 1.00 1.00 H new ATOM 0 HA GLN A 67 4.625 -19.862 3.290 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.120 -17.677 3.041 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.807 -19.220 3.509 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.729 -18.294 0.624 1.00 1.00 H new ATOM 0 HG3 GLN A 67 8.040 -17.873 1.708 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.072 -19.103 -0.247 1.00 1.00 H new ATOM 0 HE22 GLN A 67 9.335 -20.830 0.018 1.00 1.00 H new ATOM 901 N GLN A 68 2.918 -18.161 2.731 1.00 1.00 N ATOM 902 CA GLN A 68 1.867 -17.205 2.407 1.00 1.00 C ATOM 903 C GLN A 68 2.296 -15.779 2.740 1.00 1.00 C ATOM 904 O GLN A 68 1.697 -14.815 2.262 1.00 1.00 O ATOM 905 CB GLN A 68 0.582 -17.555 3.158 1.00 1.00 C ATOM 906 CG GLN A 68 -0.255 -18.618 2.464 1.00 1.00 C ATOM 907 CD GLN A 68 0.205 -20.026 2.787 1.00 1.00 C ATOM 908 OE1 GLN A 68 0.332 -20.397 3.954 1.00 1.00 O ATOM 909 NE2 GLN A 68 0.458 -20.818 1.752 1.00 1.00 N ATOM 0 H GLN A 68 2.779 -18.660 3.610 1.00 1.00 H new ATOM 0 HA GLN A 68 1.681 -17.262 1.335 1.00 1.00 H new ATOM 0 HB2 GLN A 68 0.838 -17.902 4.159 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -0.017 -16.652 3.277 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -1.298 -18.504 2.759 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -0.210 -18.464 1.386 1.00 1.00 H new ATOM 0 HE21 GLN A 68 0.339 -20.468 0.801 1.00 1.00 H new ATOM 0 HE22 GLN A 68 0.771 -21.776 1.908 1.00 1.00 H new ATOM 918 N HIS A 69 3.336 -15.646 3.560 1.00 1.00 N ATOM 919 CA HIS A 69 3.834 -14.332 3.948 1.00 1.00 C ATOM 920 C HIS A 69 4.917 -13.841 2.985 1.00 1.00 C ATOM 921 O HIS A 69 5.589 -12.845 3.252 1.00 1.00 O ATOM 922 CB HIS A 69 4.370 -14.366 5.382 1.00 1.00 C ATOM 923 CG HIS A 69 5.572 -15.241 5.562 1.00 1.00 C ATOM 924 ND1 HIS A 69 6.835 -14.886 5.136 1.00 1.00 N ATOM 925 CD2 HIS A 69 5.700 -16.462 6.136 1.00 1.00 C ATOM 926 CE1 HIS A 69 7.687 -15.851 5.439 1.00 1.00 C ATOM 927 NE2 HIS A 69 7.023 -16.817 6.045 1.00 1.00 N ATOM 0 H HIS A 69 3.847 -16.430 3.966 1.00 1.00 H new ATOM 0 HA HIS A 69 3.001 -13.631 3.900 1.00 1.00 H new ATOM 0 HB2 HIS A 69 4.623 -13.351 5.689 1.00 1.00 H new ATOM 0 HB3 HIS A 69 3.579 -14.712 6.047 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.909 -17.047 6.582 1.00 1.00 H new ATOM 0 HE1 HIS A 69 8.746 -15.849 5.227 1.00 1.00 H new ATOM 0 HE2 HIS A 69 7.428 -17.687 6.390 1.00 1.00 H new ATOM 936 N ILE A 70 5.071 -14.536 1.858 1.00 1.00 N ATOM 937 CA ILE A 70 6.059 -14.158 0.853 1.00 1.00 C ATOM 938 C ILE A 70 5.385 -13.899 -0.492 1.00 1.00 C ATOM 939 O ILE A 70 4.547 -14.683 -0.937 1.00 1.00 O ATOM 940 CB ILE A 70 7.145 -15.243 0.681 1.00 1.00 C ATOM 941 CG1 ILE A 70 7.935 -15.416 1.980 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.084 -14.887 -0.465 1.00 1.00 C ATOM 943 CD1 ILE A 70 8.528 -14.124 2.499 1.00 1.00 C ATOM 0 H ILE A 70 4.524 -15.363 1.620 1.00 1.00 H new ATOM 0 HA ILE A 70 6.539 -13.244 1.203 1.00 1.00 H new ATOM 0 HB ILE A 70 6.653 -16.186 0.442 1.00 1.00 H new ATOM 0 HG12 ILE A 70 7.280 -15.838 2.742 1.00 1.00 H new ATOM 0 HG13 ILE A 70 8.737 -16.135 1.816 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.841 -15.664 -0.569 1.00 1.00 H new ATOM 0 HG22 ILE A 70 7.514 -14.809 -1.391 1.00 1.00 H new ATOM 0 HG23 ILE A 70 8.569 -13.933 -0.255 1.00 1.00 H new ATOM 0 HD11 ILE A 70 9.074 -14.319 3.422 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.209 -13.711 1.755 1.00 1.00 H new ATOM 0 HD13 ILE A 70 7.728 -13.410 2.695 1.00 1.00 H new ATOM 955 N VAL A 71 5.758 -12.798 -1.133 1.00 1.00 N ATOM 956 CA VAL A 71 5.190 -12.437 -2.426 1.00 1.00 C ATOM 957 C VAL A 71 6.288 -12.184 -3.453 1.00 1.00 C ATOM 958 O VAL A 71 6.926 -11.131 -3.444 1.00 1.00 O ATOM 959 CB VAL A 71 4.304 -11.180 -2.321 1.00 1.00 C ATOM 960 CG1 VAL A 71 3.499 -10.987 -3.597 1.00 1.00 C ATOM 961 CG2 VAL A 71 3.387 -11.267 -1.107 1.00 1.00 C ATOM 0 H VAL A 71 6.452 -12.139 -0.778 1.00 1.00 H new ATOM 0 HA VAL A 71 4.577 -13.278 -2.749 1.00 1.00 H new ATOM 0 HB VAL A 71 4.951 -10.312 -2.193 1.00 1.00 H new ATOM 0 HG11 VAL A 71 2.879 -10.095 -3.505 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.178 -10.871 -4.442 1.00 1.00 H new ATOM 0 HG13 VAL A 71 2.862 -11.856 -3.760 1.00 1.00 H new ATOM 0 HG21 VAL A 71 2.770 -10.370 -1.052 1.00 1.00 H new ATOM 0 HG22 VAL A 71 2.745 -12.143 -1.198 1.00 1.00 H new ATOM 0 HG23 VAL A 71 3.989 -11.350 -0.202 1.00 1.00 H new ATOM 971 N HIS A 72 6.507 -13.152 -4.339 1.00 1.00 N ATOM 972 CA HIS A 72 7.533 -13.020 -5.368 1.00 1.00 C ATOM 973 C HIS A 72 6.955 -13.262 -6.760 1.00 1.00 C ATOM 974 O HIS A 72 6.797 -14.403 -7.194 1.00 1.00 O ATOM 975 CB HIS A 72 8.686 -13.991 -5.099 1.00 1.00 C ATOM 976 CG HIS A 72 8.302 -15.433 -5.222 1.00 1.00 C ATOM 977 ND1 HIS A 72 7.378 -16.040 -4.397 1.00 1.00 N ATOM 978 CD2 HIS A 72 8.720 -16.391 -6.084 1.00 1.00 C ATOM 979 CE1 HIS A 72 7.244 -17.307 -4.747 1.00 1.00 C ATOM 980 NE2 HIS A 72 8.047 -17.545 -5.767 1.00 1.00 N ATOM 0 H HIS A 72 5.991 -14.031 -4.365 1.00 1.00 H new ATOM 0 HA HIS A 72 7.913 -11.999 -5.332 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.497 -13.780 -5.796 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.073 -13.812 -4.096 1.00 1.00 H new ATOM 0 HD2 HIS A 72 9.447 -16.270 -6.873 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.589 -18.026 -4.278 1.00 1.00 H new ATOM 0 HE2 HIS A 72 8.151 -18.441 -6.243 1.00 1.00 H new ATOM 989 N CYS A 73 6.653 -12.174 -7.459 1.00 1.00 N ATOM 990 CA CYS A 73 6.105 -12.251 -8.807 1.00 1.00 C ATOM 991 C CYS A 73 6.882 -11.331 -9.743 1.00 1.00 C ATOM 992 O CYS A 73 6.709 -10.112 -9.712 1.00 1.00 O ATOM 993 CB CYS A 73 4.621 -11.879 -8.800 1.00 1.00 C ATOM 994 SG CYS A 73 3.510 -13.290 -9.006 1.00 1.00 S ATOM 0 H CYS A 73 6.779 -11.223 -7.112 1.00 1.00 H new ATOM 0 HA CYS A 73 6.201 -13.275 -9.167 1.00 1.00 H new ATOM 0 HB2 CYS A 73 4.387 -11.379 -7.860 1.00 1.00 H new ATOM 0 HB3 CYS A 73 4.433 -11.161 -9.599 1.00 1.00 H new ATOM 0 HG CYS A 73 2.488 -12.936 -9.727 1.00 1.00 H new ATOM 1000 N SER A 74 7.751 -11.915 -10.561 1.00 1.00 N ATOM 1001 CA SER A 74 8.565 -11.133 -11.486 1.00 1.00 C ATOM 1002 C SER A 74 7.712 -10.305 -12.424 1.00 1.00 C ATOM 1003 O SER A 74 7.953 -9.108 -12.581 1.00 1.00 O ATOM 1004 CB SER A 74 9.500 -12.044 -12.283 1.00 1.00 C ATOM 1005 OG SER A 74 10.347 -12.785 -11.422 1.00 1.00 O ATOM 0 H SER A 74 7.910 -12.922 -10.603 1.00 1.00 H new ATOM 0 HA SER A 74 9.165 -10.445 -10.890 1.00 1.00 H new ATOM 0 HB2 SER A 74 8.912 -12.727 -12.896 1.00 1.00 H new ATOM 0 HB3 SER A 74 10.104 -11.444 -12.964 1.00 1.00 H new ATOM 0 HG SER A 74 10.933 -13.361 -11.956 1.00 1.00 H new ATOM 1011 N ASN A 75 6.704 -10.911 -13.033 1.00 1.00 N ATOM 1012 CA ASN A 75 5.849 -10.148 -13.918 1.00 1.00 C ATOM 1013 C ASN A 75 4.573 -9.768 -13.192 1.00 1.00 C ATOM 1014 O ASN A 75 3.591 -10.512 -13.193 1.00 1.00 O ATOM 1015 CB ASN A 75 5.520 -10.955 -15.175 1.00 1.00 C ATOM 1016 CG ASN A 75 4.876 -12.289 -14.853 1.00 1.00 C ATOM 1017 OD1 ASN A 75 5.107 -12.862 -13.787 1.00 1.00 O ATOM 1018 ND2 ASN A 75 4.063 -12.792 -15.774 1.00 1.00 N ATOM 0 H ASN A 75 6.465 -11.898 -12.934 1.00 1.00 H new ATOM 0 HA ASN A 75 6.374 -9.242 -14.220 1.00 1.00 H new ATOM 0 HB2 ASN A 75 4.851 -10.375 -15.811 1.00 1.00 H new ATOM 0 HB3 ASN A 75 6.434 -11.124 -15.745 1.00 1.00 H new ATOM 0 HD21 ASN A 75 3.601 -13.687 -15.613 1.00 1.00 H new ATOM 0 HD22 ASN A 75 3.900 -12.283 -16.643 1.00 1.00 H new ATOM 1025 N ASP A 76 4.596 -8.592 -12.584 1.00 1.00 N ATOM 1026 CA ASP A 76 3.438 -8.084 -11.858 1.00 1.00 C ATOM 1027 C ASP A 76 3.546 -6.578 -11.629 1.00 1.00 C ATOM 1028 O ASP A 76 4.611 -6.076 -11.270 1.00 1.00 O ATOM 1029 CB ASP A 76 3.285 -8.812 -10.522 1.00 1.00 C ATOM 1030 CG ASP A 76 2.102 -9.760 -10.520 1.00 1.00 C ATOM 1031 OD1 ASP A 76 0.967 -9.291 -10.748 1.00 1.00 O ATOM 1032 OD2 ASP A 76 2.311 -10.970 -10.294 1.00 1.00 O ATOM 0 H ASP A 76 5.404 -7.969 -12.578 1.00 1.00 H new ATOM 0 HA ASP A 76 2.553 -8.271 -12.466 1.00 1.00 H new ATOM 0 HB2 ASP A 76 4.196 -9.370 -10.308 1.00 1.00 H new ATOM 0 HB3 ASP A 76 3.164 -8.080 -9.723 1.00 1.00 H new ATOM 1037 N PRO A 77 2.441 -5.832 -11.814 1.00 1.00 N ATOM 1038 CA PRO A 77 2.440 -4.388 -11.601 1.00 1.00 C ATOM 1039 C PRO A 77 2.951 -4.029 -10.208 1.00 1.00 C ATOM 1040 O PRO A 77 3.492 -2.945 -9.992 1.00 1.00 O ATOM 1041 CB PRO A 77 0.970 -3.989 -11.747 1.00 1.00 C ATOM 1042 CG PRO A 77 0.312 -5.104 -12.482 1.00 1.00 C ATOM 1043 CD PRO A 77 1.123 -6.341 -12.226 1.00 1.00 C ATOM 0 HA PRO A 77 3.094 -3.872 -12.303 1.00 1.00 H new ATOM 0 HB2 PRO A 77 0.508 -3.839 -10.771 1.00 1.00 H new ATOM 0 HB3 PRO A 77 0.873 -3.051 -12.293 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -0.714 -5.238 -12.140 1.00 1.00 H new ATOM 0 HG3 PRO A 77 0.266 -4.888 -13.549 1.00 1.00 H new ATOM 0 HD2 PRO A 77 0.673 -6.958 -11.448 1.00 1.00 H new ATOM 0 HD3 PRO A 77 1.197 -6.960 -13.120 1.00 1.00 H new ATOM 1051 N LEU A 78 2.780 -4.958 -9.269 1.00 1.00 N ATOM 1052 CA LEU A 78 3.228 -4.755 -7.896 1.00 1.00 C ATOM 1053 C LEU A 78 4.750 -4.725 -7.831 1.00 1.00 C ATOM 1054 O LEU A 78 5.348 -3.692 -7.528 1.00 1.00 O ATOM 1055 CB LEU A 78 2.687 -5.866 -6.993 1.00 1.00 C ATOM 1056 CG LEU A 78 2.316 -5.428 -5.576 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.302 -4.295 -5.614 1.00 1.00 C ATOM 1058 CD2 LEU A 78 1.775 -6.606 -4.780 1.00 1.00 C ATOM 0 H LEU A 78 2.333 -5.860 -9.436 1.00 1.00 H new ATOM 0 HA LEU A 78 2.845 -3.797 -7.546 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.805 -6.299 -7.465 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.435 -6.656 -6.928 1.00 1.00 H new ATOM 0 HG LEU A 78 3.216 -5.063 -5.081 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.051 -3.997 -4.596 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.727 -3.444 -6.146 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.401 -4.630 -6.127 1.00 1.00 H new ATOM 0 HD21 LEU A 78 1.516 -6.277 -3.774 1.00 1.00 H new ATOM 0 HD22 LEU A 78 0.887 -7.001 -5.273 1.00 1.00 H new ATOM 0 HD23 LEU A 78 2.535 -7.386 -4.722 1.00 1.00 H new ATOM 1070 N GLY A 79 5.374 -5.862 -8.128 1.00 1.00 N ATOM 1071 CA GLY A 79 6.823 -5.938 -8.108 1.00 1.00 C ATOM 1072 C GLY A 79 7.455 -4.881 -8.991 1.00 1.00 C ATOM 1073 O GLY A 79 8.555 -4.402 -8.715 1.00 1.00 O ATOM 0 H GLY A 79 4.902 -6.730 -8.382 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.179 -5.817 -7.085 1.00 1.00 H new ATOM 0 HA3 GLY A 79 7.140 -6.926 -8.441 1.00 1.00 H new ATOM 1077 N GLU A 80 6.744 -4.509 -10.051 1.00 1.00 N ATOM 1078 CA GLU A 80 7.221 -3.494 -10.978 1.00 1.00 C ATOM 1079 C GLU A 80 7.104 -2.108 -10.348 1.00 1.00 C ATOM 1080 O GLU A 80 7.883 -1.206 -10.656 1.00 1.00 O ATOM 1081 CB GLU A 80 6.419 -3.564 -12.286 1.00 1.00 C ATOM 1082 CG GLU A 80 6.503 -2.307 -13.141 1.00 1.00 C ATOM 1083 CD GLU A 80 7.925 -1.814 -13.323 1.00 1.00 C ATOM 1084 OE1 GLU A 80 8.862 -2.615 -13.123 1.00 1.00 O ATOM 1085 OE2 GLU A 80 8.102 -0.625 -13.665 1.00 1.00 O ATOM 0 H GLU A 80 5.832 -4.899 -10.288 1.00 1.00 H new ATOM 0 HA GLU A 80 8.271 -3.680 -11.202 1.00 1.00 H new ATOM 0 HB2 GLU A 80 6.775 -4.412 -12.871 1.00 1.00 H new ATOM 0 HB3 GLU A 80 5.373 -3.758 -12.047 1.00 1.00 H new ATOM 0 HG2 GLU A 80 6.065 -2.508 -14.119 1.00 1.00 H new ATOM 0 HG3 GLU A 80 5.906 -1.519 -12.681 1.00 1.00 H new ATOM 1092 N LEU A 81 6.129 -1.951 -9.457 1.00 1.00 N ATOM 1093 CA LEU A 81 5.912 -0.681 -8.774 1.00 1.00 C ATOM 1094 C LEU A 81 6.982 -0.453 -7.713 1.00 1.00 C ATOM 1095 O LEU A 81 7.746 0.510 -7.783 1.00 1.00 O ATOM 1096 CB LEU A 81 4.526 -0.659 -8.128 1.00 1.00 C ATOM 1097 CG LEU A 81 4.180 0.628 -7.378 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.278 1.829 -8.305 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.788 0.533 -6.770 1.00 1.00 C ATOM 0 H LEU A 81 5.477 -2.689 -9.191 1.00 1.00 H new ATOM 0 HA LEU A 81 5.975 0.120 -9.511 1.00 1.00 H new ATOM 0 HB2 LEU A 81 3.778 -0.821 -8.904 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.452 -1.496 -7.434 1.00 1.00 H new ATOM 0 HG LEU A 81 4.900 0.760 -6.570 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.028 2.736 -7.754 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.294 1.908 -8.692 1.00 1.00 H new ATOM 0 HD13 LEU A 81 3.582 1.706 -9.135 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.559 1.457 -6.240 1.00 1.00 H new ATOM 0 HD22 LEU A 81 2.055 0.377 -7.562 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.752 -0.304 -6.072 1.00 1.00 H new ATOM 1111 N PHE A 82 7.031 -1.347 -6.731 1.00 1.00 N ATOM 1112 CA PHE A 82 8.010 -1.246 -5.653 1.00 1.00 C ATOM 1113 C PHE A 82 9.433 -1.260 -6.205 1.00 1.00 C ATOM 1114 O PHE A 82 10.351 -0.713 -5.594 1.00 1.00 O ATOM 1115 CB PHE A 82 7.832 -2.396 -4.658 1.00 1.00 C ATOM 1116 CG PHE A 82 6.428 -2.543 -4.141 1.00 1.00 C ATOM 1117 CD1 PHE A 82 5.630 -1.431 -3.926 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.907 -3.798 -3.868 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.340 -1.567 -3.449 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.619 -3.941 -3.391 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.834 -2.824 -3.181 1.00 1.00 C ATOM 0 H PHE A 82 6.405 -2.149 -6.659 1.00 1.00 H new ATOM 0 HA PHE A 82 7.844 -0.299 -5.139 1.00 1.00 H new ATOM 0 HB2 PHE A 82 8.131 -3.328 -5.138 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.505 -2.241 -3.815 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.021 -0.446 -4.134 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.516 -4.675 -4.030 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.729 -0.692 -3.286 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.226 -4.925 -3.182 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.826 -2.933 -2.808 1.00 1.00 H new ATOM 1131 N GLY A 83 9.609 -1.888 -7.364 1.00 1.00 N ATOM 1132 CA GLY A 83 10.923 -1.959 -7.976 1.00 1.00 C ATOM 1133 C GLY A 83 11.674 -3.224 -7.601 1.00 1.00 C ATOM 1134 O GLY A 83 12.904 -3.255 -7.636 1.00 1.00 O ATOM 0 H GLY A 83 8.866 -2.348 -7.889 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.818 -1.911 -9.060 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.508 -1.090 -7.674 1.00 1.00 H new ATOM 1138 N VAL A 84 10.933 -4.268 -7.242 1.00 1.00 N ATOM 1139 CA VAL A 84 11.538 -5.539 -6.860 1.00 1.00 C ATOM 1140 C VAL A 84 10.732 -6.715 -7.400 1.00 1.00 C ATOM 1141 O VAL A 84 9.614 -6.544 -7.886 1.00 1.00 O ATOM 1142 CB VAL A 84 11.653 -5.671 -5.329 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.667 -4.679 -4.779 1.00 1.00 C ATOM 1144 CG2 VAL A 84 10.295 -5.475 -4.674 1.00 1.00 C ATOM 0 H VAL A 84 9.914 -4.259 -7.208 1.00 1.00 H new ATOM 0 HA VAL A 84 12.538 -5.556 -7.294 1.00 1.00 H new ATOM 0 HB VAL A 84 12.003 -6.677 -5.095 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.733 -4.789 -3.697 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.643 -4.872 -5.224 1.00 1.00 H new ATOM 0 HG13 VAL A 84 12.352 -3.664 -5.022 1.00 1.00 H new ATOM 0 HG21 VAL A 84 10.395 -5.572 -3.593 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.914 -4.483 -4.916 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.601 -6.230 -5.043 1.00 1.00 H new ATOM 1154 N GLN A 85 11.307 -7.910 -7.313 1.00 1.00 N ATOM 1155 CA GLN A 85 10.642 -9.116 -7.793 1.00 1.00 C ATOM 1156 C GLN A 85 10.018 -9.891 -6.637 1.00 1.00 C ATOM 1157 O GLN A 85 9.000 -10.563 -6.804 1.00 1.00 O ATOM 1158 CB GLN A 85 11.633 -10.007 -8.544 1.00 1.00 C ATOM 1159 CG GLN A 85 12.414 -9.275 -9.623 1.00 1.00 C ATOM 1160 CD GLN A 85 11.514 -8.547 -10.603 1.00 1.00 C ATOM 1161 OE1 GLN A 85 10.795 -7.620 -10.232 1.00 1.00 O ATOM 1162 NE2 GLN A 85 11.550 -8.967 -11.863 1.00 1.00 N ATOM 0 H GLN A 85 12.232 -8.069 -6.914 1.00 1.00 H new ATOM 0 HA GLN A 85 9.847 -8.814 -8.475 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.334 -10.439 -7.830 1.00 1.00 H new ATOM 0 HB3 GLN A 85 11.091 -10.836 -8.999 1.00 1.00 H new ATOM 0 HG2 GLN A 85 13.089 -8.559 -9.155 1.00 1.00 H new ATOM 0 HG3 GLN A 85 13.033 -9.989 -10.166 1.00 1.00 H new ATOM 0 HE21 GLN A 85 12.162 -9.740 -12.126 1.00 1.00 H new ATOM 0 HE22 GLN A 85 10.966 -8.517 -12.568 1.00 1.00 H new ATOM 1171 N GLU A 86 10.635 -9.793 -5.464 1.00 1.00 N ATOM 1172 CA GLU A 86 10.141 -10.485 -4.279 1.00 1.00 C ATOM 1173 C GLU A 86 10.208 -9.580 -3.054 1.00 1.00 C ATOM 1174 O GLU A 86 11.090 -8.728 -2.948 1.00 1.00 O ATOM 1175 CB GLU A 86 10.948 -11.761 -4.032 1.00 1.00 C ATOM 1176 CG GLU A 86 12.452 -11.551 -4.095 1.00 1.00 C ATOM 1177 CD GLU A 86 13.164 -12.657 -4.849 1.00 1.00 C ATOM 1178 OE1 GLU A 86 12.752 -13.828 -4.713 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.133 -12.352 -5.576 1.00 1.00 O ATOM 0 H GLU A 86 11.478 -9.241 -5.309 1.00 1.00 H new ATOM 0 HA GLU A 86 9.099 -10.753 -4.454 1.00 1.00 H new ATOM 0 HB2 GLU A 86 10.686 -12.163 -3.053 1.00 1.00 H new ATOM 0 HB3 GLU A 86 10.663 -12.510 -4.771 1.00 1.00 H new ATOM 0 HG2 GLU A 86 12.662 -10.595 -4.575 1.00 1.00 H new ATOM 0 HG3 GLU A 86 12.850 -11.493 -3.082 1.00 1.00 H new ATOM 1186 N PHE A 87 9.271 -9.769 -2.132 1.00 1.00 N ATOM 1187 CA PHE A 87 9.226 -8.968 -0.915 1.00 1.00 C ATOM 1188 C PHE A 87 8.377 -9.646 0.155 1.00 1.00 C ATOM 1189 O PHE A 87 7.199 -9.929 -0.061 1.00 1.00 O ATOM 1190 CB PHE A 87 8.669 -7.574 -1.217 1.00 1.00 C ATOM 1191 CG PHE A 87 7.236 -7.585 -1.669 1.00 1.00 C ATOM 1192 CD1 PHE A 87 6.918 -7.747 -3.008 1.00 1.00 C ATOM 1193 CD2 PHE A 87 6.207 -7.434 -0.753 1.00 1.00 C ATOM 1194 CE1 PHE A 87 5.600 -7.757 -3.425 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.888 -7.443 -1.164 1.00 1.00 C ATOM 1196 CZ PHE A 87 4.584 -7.606 -2.501 1.00 1.00 C ATOM 0 H PHE A 87 8.533 -10.469 -2.204 1.00 1.00 H new ATOM 0 HA PHE A 87 10.244 -8.872 -0.537 1.00 1.00 H new ATOM 0 HB2 PHE A 87 8.755 -6.956 -0.323 1.00 1.00 H new ATOM 0 HB3 PHE A 87 9.281 -7.106 -1.988 1.00 1.00 H new ATOM 0 HD1 PHE A 87 7.709 -7.867 -3.734 1.00 1.00 H new ATOM 0 HD2 PHE A 87 6.439 -7.308 0.294 1.00 1.00 H new ATOM 0 HE1 PHE A 87 5.365 -7.883 -4.472 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.095 -7.323 -0.440 1.00 1.00 H new ATOM 0 HZ PHE A 87 3.553 -7.615 -2.824 1.00 1.00 H new ATOM 1206 N SER A 88 8.982 -9.899 1.311 1.00 1.00 N ATOM 1207 CA SER A 88 8.278 -10.537 2.416 1.00 1.00 C ATOM 1208 C SER A 88 7.328 -9.551 3.086 1.00 1.00 C ATOM 1209 O SER A 88 7.668 -8.384 3.280 1.00 1.00 O ATOM 1210 CB SER A 88 9.276 -11.080 3.440 1.00 1.00 C ATOM 1211 OG SER A 88 10.322 -11.795 2.805 1.00 1.00 O ATOM 0 H SER A 88 9.957 -9.672 1.506 1.00 1.00 H new ATOM 0 HA SER A 88 7.695 -11.367 2.017 1.00 1.00 H new ATOM 0 HB2 SER A 88 9.694 -10.255 4.018 1.00 1.00 H new ATOM 0 HB3 SER A 88 8.760 -11.733 4.144 1.00 1.00 H new ATOM 0 HG SER A 88 10.947 -12.130 3.481 1.00 1.00 H new ATOM 1217 N VAL A 89 6.135 -10.023 3.436 1.00 1.00 N ATOM 1218 CA VAL A 89 5.144 -9.170 4.083 1.00 1.00 C ATOM 1219 C VAL A 89 5.296 -9.182 5.603 1.00 1.00 C ATOM 1220 O VAL A 89 4.421 -8.701 6.323 1.00 1.00 O ATOM 1221 CB VAL A 89 3.704 -9.582 3.718 1.00 1.00 C ATOM 1222 CG1 VAL A 89 3.333 -9.046 2.346 1.00 1.00 C ATOM 1223 CG2 VAL A 89 3.537 -11.092 3.770 1.00 1.00 C ATOM 0 H VAL A 89 5.833 -10.985 3.284 1.00 1.00 H new ATOM 0 HA VAL A 89 5.326 -8.161 3.714 1.00 1.00 H new ATOM 0 HB VAL A 89 3.028 -9.147 4.455 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.314 -9.345 2.102 1.00 1.00 H new ATOM 0 HG12 VAL A 89 3.401 -7.958 2.350 1.00 1.00 H new ATOM 0 HG13 VAL A 89 4.018 -9.450 1.600 1.00 1.00 H new ATOM 0 HG21 VAL A 89 2.512 -11.354 3.508 1.00 1.00 H new ATOM 0 HG22 VAL A 89 4.223 -11.558 3.063 1.00 1.00 H new ATOM 0 HG23 VAL A 89 3.757 -11.448 4.777 1.00 1.00 H new ATOM 1233 N LYS A 90 6.410 -9.725 6.087 1.00 1.00 N ATOM 1234 CA LYS A 90 6.667 -9.785 7.521 1.00 1.00 C ATOM 1235 C LYS A 90 7.156 -8.436 8.036 1.00 1.00 C ATOM 1236 O LYS A 90 6.869 -8.050 9.169 1.00 1.00 O ATOM 1237 CB LYS A 90 7.700 -10.870 7.832 1.00 1.00 C ATOM 1238 CG LYS A 90 7.688 -11.323 9.283 1.00 1.00 C ATOM 1239 CD LYS A 90 6.407 -12.068 9.624 1.00 1.00 C ATOM 1240 CE LYS A 90 5.892 -11.689 11.003 1.00 1.00 C ATOM 1241 NZ LYS A 90 4.944 -12.704 11.541 1.00 1.00 N ATOM 0 H LYS A 90 7.147 -10.128 5.508 1.00 1.00 H new ATOM 0 HA LYS A 90 5.733 -10.032 8.025 1.00 1.00 H new ATOM 0 HB2 LYS A 90 7.515 -11.731 7.190 1.00 1.00 H new ATOM 0 HB3 LYS A 90 8.693 -10.496 7.585 1.00 1.00 H new ATOM 0 HG2 LYS A 90 8.546 -11.968 9.471 1.00 1.00 H new ATOM 0 HG3 LYS A 90 7.791 -10.457 9.937 1.00 1.00 H new ATOM 0 HD2 LYS A 90 5.646 -11.846 8.876 1.00 1.00 H new ATOM 0 HD3 LYS A 90 6.588 -13.142 9.585 1.00 1.00 H new ATOM 0 HE2 LYS A 90 6.733 -11.580 11.687 1.00 1.00 H new ATOM 0 HE3 LYS A 90 5.395 -10.720 10.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 4.616 -12.408 12.483 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 4.128 -12.790 10.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 5.425 -13.623 11.615 1.00 1.00 H new ATOM 1255 N GLU A 91 7.893 -7.721 7.191 1.00 1.00 N ATOM 1256 CA GLU A 91 8.420 -6.411 7.554 1.00 1.00 C ATOM 1257 C GLU A 91 7.477 -5.305 7.093 1.00 1.00 C ATOM 1258 O GLU A 91 7.704 -4.669 6.063 1.00 1.00 O ATOM 1259 CB GLU A 91 9.806 -6.206 6.940 1.00 1.00 C ATOM 1260 CG GLU A 91 10.722 -7.410 7.089 1.00 1.00 C ATOM 1261 CD GLU A 91 12.134 -7.025 7.483 1.00 1.00 C ATOM 1262 OE1 GLU A 91 12.299 -5.993 8.168 1.00 1.00 O ATOM 1263 OE2 GLU A 91 13.076 -7.753 7.105 1.00 1.00 O ATOM 0 H GLU A 91 8.139 -8.028 6.250 1.00 1.00 H new ATOM 0 HA GLU A 91 8.504 -6.366 8.640 1.00 1.00 H new ATOM 0 HB2 GLU A 91 9.694 -5.974 5.881 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.277 -5.342 7.408 1.00 1.00 H new ATOM 0 HG2 GLU A 91 10.310 -8.084 7.840 1.00 1.00 H new ATOM 0 HG3 GLU A 91 10.749 -7.960 6.148 1.00 1.00 H new ATOM 1270 N HIS A 92 6.414 -5.086 7.860 1.00 1.00 N ATOM 1271 CA HIS A 92 5.427 -4.062 7.533 1.00 1.00 C ATOM 1272 C HIS A 92 6.082 -2.694 7.365 1.00 1.00 C ATOM 1273 O HIS A 92 5.580 -1.841 6.632 1.00 1.00 O ATOM 1274 CB HIS A 92 4.357 -3.996 8.623 1.00 1.00 C ATOM 1275 CG HIS A 92 3.387 -5.136 8.580 1.00 1.00 C ATOM 1276 ND1 HIS A 92 2.476 -5.388 9.584 1.00 1.00 N ATOM 1277 CD2 HIS A 92 3.188 -6.097 7.645 1.00 1.00 C ATOM 1278 CE1 HIS A 92 1.760 -6.453 9.270 1.00 1.00 C ATOM 1279 NE2 HIS A 92 2.171 -6.901 8.099 1.00 1.00 N ATOM 0 H HIS A 92 6.213 -5.605 8.715 1.00 1.00 H new ATOM 0 HA HIS A 92 4.962 -4.335 6.586 1.00 1.00 H new ATOM 0 HB2 HIS A 92 4.844 -3.981 9.598 1.00 1.00 H new ATOM 0 HB3 HIS A 92 3.808 -3.059 8.526 1.00 1.00 H new ATOM 0 HD2 HIS A 92 3.728 -6.210 6.717 1.00 1.00 H new ATOM 0 HE1 HIS A 92 0.972 -6.884 9.870 1.00 1.00 H new ATOM 0 HE2 HIS A 92 1.794 -7.713 7.610 1.00 1.00 H new ATOM 1288 N ARG A 93 7.203 -2.488 8.048 1.00 1.00 N ATOM 1289 CA ARG A 93 7.922 -1.221 7.974 1.00 1.00 C ATOM 1290 C ARG A 93 8.417 -0.953 6.556 1.00 1.00 C ATOM 1291 O ARG A 93 8.254 0.148 6.029 1.00 1.00 O ATOM 1292 CB ARG A 93 9.103 -1.225 8.947 1.00 1.00 C ATOM 1293 CG ARG A 93 9.702 0.154 9.182 1.00 1.00 C ATOM 1294 CD ARG A 93 11.101 0.264 8.598 1.00 1.00 C ATOM 1295 NE ARG A 93 11.657 1.605 8.756 1.00 1.00 N ATOM 1296 CZ ARG A 93 12.057 2.109 9.922 1.00 1.00 C ATOM 1297 NH1 ARG A 93 11.966 1.387 11.032 1.00 1.00 N ATOM 1298 NH2 ARG A 93 12.549 3.339 9.978 1.00 1.00 N ATOM 0 H ARG A 93 7.633 -3.182 8.659 1.00 1.00 H new ATOM 0 HA ARG A 93 7.231 -0.425 8.252 1.00 1.00 H new ATOM 0 HB2 ARG A 93 8.776 -1.637 9.901 1.00 1.00 H new ATOM 0 HB3 ARG A 93 9.878 -1.888 8.562 1.00 1.00 H new ATOM 0 HG2 ARG A 93 9.059 0.912 8.733 1.00 1.00 H new ATOM 0 HG3 ARG A 93 9.737 0.359 10.252 1.00 1.00 H new ATOM 0 HD2 ARG A 93 11.755 -0.459 9.085 1.00 1.00 H new ATOM 0 HD3 ARG A 93 11.073 0.006 7.539 1.00 1.00 H new ATOM 0 HE ARG A 93 11.744 2.190 7.925 1.00 1.00 H new ATOM 0 HH11 ARG A 93 11.588 0.440 10.995 1.00 1.00 H new ATOM 0 HH12 ARG A 93 12.274 1.779 11.922 1.00 1.00 H new ATOM 0 HH21 ARG A 93 12.621 3.899 9.128 1.00 1.00 H new ATOM 0 HH22 ARG A 93 12.855 3.726 10.871 1.00 1.00 H new ATOM 1312 N ARG A 94 9.027 -1.963 5.945 1.00 1.00 N ATOM 1313 CA ARG A 94 9.550 -1.834 4.589 1.00 1.00 C ATOM 1314 C ARG A 94 8.431 -1.550 3.591 1.00 1.00 C ATOM 1315 O ARG A 94 8.547 -0.659 2.750 1.00 1.00 O ATOM 1316 CB ARG A 94 10.298 -3.107 4.186 1.00 1.00 C ATOM 1317 CG ARG A 94 11.786 -3.061 4.491 1.00 1.00 C ATOM 1318 CD ARG A 94 12.596 -2.676 3.264 1.00 1.00 C ATOM 1319 NE ARG A 94 13.199 -3.840 2.618 1.00 1.00 N ATOM 1320 CZ ARG A 94 14.308 -4.436 3.050 1.00 1.00 C ATOM 1321 NH1 ARG A 94 14.938 -3.982 4.127 1.00 1.00 N ATOM 1322 NH2 ARG A 94 14.788 -5.490 2.404 1.00 1.00 N ATOM 0 H ARG A 94 9.172 -2.880 6.367 1.00 1.00 H new ATOM 0 HA ARG A 94 10.242 -0.992 4.575 1.00 1.00 H new ATOM 0 HB2 ARG A 94 9.856 -3.958 4.704 1.00 1.00 H new ATOM 0 HB3 ARG A 94 10.160 -3.277 3.118 1.00 1.00 H new ATOM 0 HG2 ARG A 94 11.972 -2.344 5.291 1.00 1.00 H new ATOM 0 HG3 ARG A 94 12.114 -4.035 4.854 1.00 1.00 H new ATOM 0 HD2 ARG A 94 11.952 -2.159 2.552 1.00 1.00 H new ATOM 0 HD3 ARG A 94 13.379 -1.975 3.552 1.00 1.00 H new ATOM 0 HE ARG A 94 12.743 -4.218 1.787 1.00 1.00 H new ATOM 0 HH11 ARG A 94 14.573 -3.172 4.628 1.00 1.00 H new ATOM 0 HH12 ARG A 94 15.787 -4.443 4.453 1.00 1.00 H new ATOM 0 HH21 ARG A 94 14.307 -5.843 1.577 1.00 1.00 H new ATOM 0 HH22 ARG A 94 15.638 -5.947 2.734 1.00 1.00 H new ATOM 1336 N ILE A 95 7.349 -2.316 3.688 1.00 1.00 N ATOM 1337 CA ILE A 95 6.211 -2.148 2.791 1.00 1.00 C ATOM 1338 C ILE A 95 5.521 -0.807 3.016 1.00 1.00 C ATOM 1339 O ILE A 95 5.321 -0.034 2.079 1.00 1.00 O ATOM 1340 CB ILE A 95 5.184 -3.279 2.971 1.00 1.00 C ATOM 1341 CG1 ILE A 95 5.884 -4.638 2.888 1.00 1.00 C ATOM 1342 CG2 ILE A 95 4.084 -3.168 1.922 1.00 1.00 C ATOM 1343 CD1 ILE A 95 4.938 -5.814 2.963 1.00 1.00 C ATOM 0 H ILE A 95 7.236 -3.059 4.378 1.00 1.00 H new ATOM 0 HA ILE A 95 6.604 -2.182 1.775 1.00 1.00 H new ATOM 0 HB ILE A 95 4.723 -3.188 3.954 1.00 1.00 H new ATOM 0 HG12 ILE A 95 6.444 -4.692 1.954 1.00 1.00 H new ATOM 0 HG13 ILE A 95 6.609 -4.714 3.699 1.00 1.00 H new ATOM 0 HG21 ILE A 95 3.365 -3.975 2.062 1.00 1.00 H new ATOM 0 HG22 ILE A 95 3.578 -2.208 2.026 1.00 1.00 H new ATOM 0 HG23 ILE A 95 4.522 -3.241 0.926 1.00 1.00 H new ATOM 0 HD11 ILE A 95 5.506 -6.742 2.898 1.00 1.00 H new ATOM 0 HD12 ILE A 95 4.396 -5.785 3.908 1.00 1.00 H new ATOM 0 HD13 ILE A 95 4.229 -5.764 2.137 1.00 1.00 H new ATOM 1355 N TYR A 96 5.158 -0.535 4.266 1.00 1.00 N ATOM 1356 CA TYR A 96 4.489 0.715 4.620 1.00 1.00 C ATOM 1357 C TYR A 96 5.201 1.916 3.998 1.00 1.00 C ATOM 1358 O TYR A 96 4.580 2.939 3.707 1.00 1.00 O ATOM 1359 CB TYR A 96 4.439 0.869 6.141 1.00 1.00 C ATOM 1360 CG TYR A 96 3.652 2.072 6.609 1.00 1.00 C ATOM 1361 CD1 TYR A 96 4.208 3.345 6.577 1.00 1.00 C ATOM 1362 CD2 TYR A 96 2.356 1.934 7.087 1.00 1.00 C ATOM 1363 CE1 TYR A 96 3.493 4.446 7.009 1.00 1.00 C ATOM 1364 CE2 TYR A 96 1.634 3.030 7.519 1.00 1.00 C ATOM 1365 CZ TYR A 96 2.207 4.284 7.478 1.00 1.00 C ATOM 1366 OH TYR A 96 1.493 5.381 7.910 1.00 1.00 O ATOM 0 H TYR A 96 5.316 -1.164 5.053 1.00 1.00 H new ATOM 0 HA TYR A 96 3.473 0.680 4.226 1.00 1.00 H new ATOM 0 HB2 TYR A 96 4.001 -0.030 6.573 1.00 1.00 H new ATOM 0 HB3 TYR A 96 5.457 0.942 6.523 1.00 1.00 H new ATOM 0 HD1 TYR A 96 5.215 3.476 6.209 1.00 1.00 H new ATOM 0 HD2 TYR A 96 1.905 0.954 7.122 1.00 1.00 H new ATOM 0 HE1 TYR A 96 3.940 5.429 6.979 1.00 1.00 H new ATOM 0 HE2 TYR A 96 0.626 2.905 7.887 1.00 1.00 H new ATOM 0 HH TYR A 96 0.695 5.492 7.352 1.00 1.00 H new ATOM 1376 N ALA A 97 6.507 1.782 3.798 1.00 1.00 N ATOM 1377 CA ALA A 97 7.304 2.853 3.214 1.00 1.00 C ATOM 1378 C ALA A 97 7.090 2.950 1.706 1.00 1.00 C ATOM 1379 O ALA A 97 6.583 3.955 1.209 1.00 1.00 O ATOM 1380 CB ALA A 97 8.778 2.641 3.525 1.00 1.00 C ATOM 0 H ALA A 97 7.036 0.942 4.032 1.00 1.00 H new ATOM 0 HA ALA A 97 6.977 3.793 3.658 1.00 1.00 H new ATOM 0 HB1 ALA A 97 9.363 3.448 3.083 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.925 2.636 4.605 1.00 1.00 H new ATOM 0 HB3 ALA A 97 9.104 1.687 3.110 1.00 1.00 H new ATOM 1386 N MET A 98 7.488 1.905 0.984 1.00 1.00 N ATOM 1387 CA MET A 98 7.352 1.877 -0.472 1.00 1.00 C ATOM 1388 C MET A 98 5.928 2.214 -0.910 1.00 1.00 C ATOM 1389 O MET A 98 5.726 2.916 -1.901 1.00 1.00 O ATOM 1390 CB MET A 98 7.772 0.507 -1.017 1.00 1.00 C ATOM 1391 CG MET A 98 6.739 -0.589 -0.811 1.00 1.00 C ATOM 1392 SD MET A 98 7.480 -2.231 -0.746 1.00 1.00 S ATOM 1393 CE MET A 98 6.018 -3.258 -0.649 1.00 1.00 C ATOM 0 H MET A 98 7.908 1.065 1.383 1.00 1.00 H new ATOM 0 HA MET A 98 8.012 2.640 -0.884 1.00 1.00 H new ATOM 0 HB2 MET A 98 7.978 0.600 -2.083 1.00 1.00 H new ATOM 0 HB3 MET A 98 8.704 0.208 -0.537 1.00 1.00 H new ATOM 0 HG2 MET A 98 6.195 -0.402 0.115 1.00 1.00 H new ATOM 0 HG3 MET A 98 6.010 -0.554 -1.621 1.00 1.00 H new ATOM 0 HE1 MET A 98 5.970 -3.731 0.332 1.00 1.00 H new ATOM 0 HE2 MET A 98 5.131 -2.643 -0.799 1.00 1.00 H new ATOM 0 HE3 MET A 98 6.061 -4.027 -1.421 1.00 1.00 H new ATOM 1403 N ILE A 99 4.943 1.718 -0.168 1.00 1.00 N ATOM 1404 CA ILE A 99 3.547 1.982 -0.491 1.00 1.00 C ATOM 1405 C ILE A 99 3.211 3.452 -0.267 1.00 1.00 C ATOM 1406 O ILE A 99 2.386 4.026 -0.977 1.00 1.00 O ATOM 1407 CB ILE A 99 2.593 1.109 0.348 1.00 1.00 C ATOM 1408 CG1 ILE A 99 2.812 1.361 1.841 1.00 1.00 C ATOM 1409 CG2 ILE A 99 2.794 -0.363 0.017 1.00 1.00 C ATOM 1410 CD1 ILE A 99 1.747 2.235 2.467 1.00 1.00 C ATOM 0 H ILE A 99 5.085 1.134 0.656 1.00 1.00 H new ATOM 0 HA ILE A 99 3.410 1.732 -1.543 1.00 1.00 H new ATOM 0 HB ILE A 99 1.566 1.380 0.102 1.00 1.00 H new ATOM 0 HG12 ILE A 99 2.839 0.404 2.363 1.00 1.00 H new ATOM 0 HG13 ILE A 99 3.786 1.830 1.984 1.00 1.00 H new ATOM 0 HG21 ILE A 99 2.114 -0.967 0.617 1.00 1.00 H new ATOM 0 HG22 ILE A 99 2.590 -0.529 -1.041 1.00 1.00 H new ATOM 0 HG23 ILE A 99 3.823 -0.648 0.237 1.00 1.00 H new ATOM 0 HD11 ILE A 99 1.965 2.372 3.526 1.00 1.00 H new ATOM 0 HD12 ILE A 99 1.734 3.205 1.971 1.00 1.00 H new ATOM 0 HD13 ILE A 99 0.773 1.758 2.356 1.00 1.00 H new ATOM 1422 N SER A 100 3.862 4.058 0.723 1.00 1.00 N ATOM 1423 CA SER A 100 3.636 5.464 1.035 1.00 1.00 C ATOM 1424 C SER A 100 4.367 6.366 0.044 1.00 1.00 C ATOM 1425 O SER A 100 3.816 7.361 -0.427 1.00 1.00 O ATOM 1426 CB SER A 100 4.097 5.772 2.462 1.00 1.00 C ATOM 1427 OG SER A 100 2.995 5.848 3.349 1.00 1.00 O ATOM 0 H SER A 100 4.548 3.597 1.321 1.00 1.00 H new ATOM 0 HA SER A 100 2.567 5.661 0.956 1.00 1.00 H new ATOM 0 HB2 SER A 100 4.787 4.998 2.800 1.00 1.00 H new ATOM 0 HB3 SER A 100 4.644 6.715 2.475 1.00 1.00 H new ATOM 0 HG SER A 100 3.316 6.044 4.254 1.00 1.00 H new ATOM 1433 N ARG A 101 5.611 6.014 -0.269 1.00 1.00 N ATOM 1434 CA ARG A 101 6.412 6.798 -1.206 1.00 1.00 C ATOM 1435 C ARG A 101 5.942 6.608 -2.648 1.00 1.00 C ATOM 1436 O ARG A 101 6.431 7.279 -3.557 1.00 1.00 O ATOM 1437 CB ARG A 101 7.895 6.437 -1.095 1.00 1.00 C ATOM 1438 CG ARG A 101 8.161 4.953 -1.135 1.00 1.00 C ATOM 1439 CD ARG A 101 9.349 4.573 -0.264 1.00 1.00 C ATOM 1440 NE ARG A 101 10.411 3.933 -1.038 1.00 1.00 N ATOM 1441 CZ ARG A 101 11.193 4.579 -1.900 1.00 1.00 C ATOM 1442 NH1 ARG A 101 11.040 5.883 -2.097 1.00 1.00 N ATOM 1443 NH2 ARG A 101 12.132 3.920 -2.565 1.00 1.00 N ATOM 0 H ARG A 101 6.085 5.195 0.110 1.00 1.00 H new ATOM 0 HA ARG A 101 6.280 7.846 -0.938 1.00 1.00 H new ATOM 0 HB2 ARG A 101 8.439 6.917 -1.909 1.00 1.00 H new ATOM 0 HB3 ARG A 101 8.290 6.843 -0.164 1.00 1.00 H new ATOM 0 HG2 ARG A 101 7.275 4.415 -0.798 1.00 1.00 H new ATOM 0 HG3 ARG A 101 8.349 4.644 -2.163 1.00 1.00 H new ATOM 0 HD2 ARG A 101 9.742 5.465 0.223 1.00 1.00 H new ATOM 0 HD3 ARG A 101 9.019 3.898 0.526 1.00 1.00 H new ATOM 0 HE ARG A 101 10.562 2.932 -0.910 1.00 1.00 H new ATOM 0 HH11 ARG A 101 10.320 6.395 -1.587 1.00 1.00 H new ATOM 0 HH12 ARG A 101 11.642 6.373 -2.759 1.00 1.00 H new ATOM 0 HH21 ARG A 101 12.255 2.918 -2.416 1.00 1.00 H new ATOM 0 HH22 ARG A 101 12.731 4.415 -3.226 1.00 1.00 H new ATOM 1457 N ASN A 102 4.998 5.694 -2.857 1.00 1.00 N ATOM 1458 CA ASN A 102 4.480 5.429 -4.195 1.00 1.00 C ATOM 1459 C ASN A 102 3.189 6.202 -4.454 1.00 1.00 C ATOM 1460 O ASN A 102 2.387 5.818 -5.305 1.00 1.00 O ATOM 1461 CB ASN A 102 4.243 3.931 -4.382 1.00 1.00 C ATOM 1462 CG ASN A 102 5.519 3.187 -4.725 1.00 1.00 C ATOM 1463 OD1 ASN A 102 6.525 3.796 -5.091 1.00 1.00 O ATOM 1464 ND2 ASN A 102 5.487 1.865 -4.609 1.00 1.00 N ATOM 0 H ASN A 102 4.578 5.127 -2.120 1.00 1.00 H new ATOM 0 HA ASN A 102 5.225 5.766 -4.916 1.00 1.00 H new ATOM 0 HB2 ASN A 102 3.817 3.516 -3.469 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.511 3.777 -5.174 1.00 1.00 H new ATOM 0 HD21 ASN A 102 6.317 1.314 -4.827 1.00 1.00 H new ATOM 0 HD22 ASN A 102 4.632 1.401 -4.302 1.00 1.00 H new ATOM 1471 N LEU A 103 2.996 7.296 -3.722 1.00 1.00 N ATOM 1472 CA LEU A 103 1.805 8.124 -3.883 1.00 1.00 C ATOM 1473 C LEU A 103 2.181 9.508 -4.403 1.00 1.00 C ATOM 1474 O LEU A 103 2.864 10.271 -3.720 1.00 1.00 O ATOM 1475 CB LEU A 103 1.060 8.251 -2.552 1.00 1.00 C ATOM 1476 CG LEU A 103 0.988 6.968 -1.722 1.00 1.00 C ATOM 1477 CD1 LEU A 103 0.756 7.296 -0.254 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -0.110 6.056 -2.246 1.00 1.00 C ATOM 0 H LEU A 103 3.649 7.629 -3.012 1.00 1.00 H new ATOM 0 HA LEU A 103 1.150 7.643 -4.610 1.00 1.00 H new ATOM 0 HB2 LEU A 103 1.544 9.024 -1.955 1.00 1.00 H new ATOM 0 HB3 LEU A 103 0.045 8.592 -2.753 1.00 1.00 H new ATOM 0 HG LEU A 103 1.940 6.445 -1.811 1.00 1.00 H new ATOM 0 HD11 LEU A 103 0.707 6.372 0.322 1.00 1.00 H new ATOM 0 HD12 LEU A 103 1.576 7.911 0.115 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -0.182 7.840 -0.147 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -0.147 5.148 -1.644 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -1.069 6.570 -2.187 1.00 1.00 H new ATOM 0 HD23 LEU A 103 0.098 5.795 -3.284 1.00 1.00 H new ATOM 1490 N VAL A 104 1.740 9.824 -5.619 1.00 1.00 N ATOM 1491 CA VAL A 104 2.044 11.119 -6.228 1.00 1.00 C ATOM 1492 C VAL A 104 1.767 12.272 -5.256 1.00 1.00 C ATOM 1493 O VAL A 104 2.648 12.662 -4.489 1.00 1.00 O ATOM 1494 CB VAL A 104 1.270 11.344 -7.551 1.00 1.00 C ATOM 1495 CG1 VAL A 104 2.096 10.863 -8.733 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.087 10.648 -7.537 1.00 1.00 C ATOM 0 H VAL A 104 1.174 9.206 -6.200 1.00 1.00 H new ATOM 0 HA VAL A 104 3.108 11.105 -6.463 1.00 1.00 H new ATOM 0 HB VAL A 104 1.091 12.415 -7.651 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.540 11.027 -9.656 1.00 1.00 H new ATOM 0 HG12 VAL A 104 3.034 11.417 -8.771 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.307 9.800 -8.621 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -0.599 10.830 -8.482 1.00 1.00 H new ATOM 0 HG22 VAL A 104 0.055 9.576 -7.402 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.689 11.040 -6.717 1.00 1.00 H new