USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 82 GLN : amide:sc= 0.174 X(o=0.17,f=-0.02) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl -107:sc= -0.0103 (180deg=-0.198) USER MOD Set 2.2: A 1 MET N :NH3+ -175:sc= 2.46 (180deg=0.971) USER MOD Set 2.3: A 60 ASN : amide:sc= 0.606 K(o=3.1,f=-13!) USER MOD Single : A 6 TYR OH : rot -110:sc= 0.484 USER MOD Single : A 23 GLN : amide:sc= -0.877! C(o=-0.88!,f=-10!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.39 USER MOD Single : A 32 ASN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.91) USER MOD Single : A 36 TYR OH : rot -120:sc= 0.389 USER MOD Single : A 37 SER OG : rot -116:sc= -0.264 USER MOD Single : A 40 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=0.67) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-2.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 45:sc= -0.365 USER MOD Single : A 71 THR OG1 : rot -147:sc= 1.28 USER MOD Single : A 76 TYR OH : rot -166:sc= 1.33 USER MOD Single : A 79 GLN : amide:sc= -1.85 K(o=-1.9,f=0) USER MOD Single : A 83 THR OG1 : rot -42:sc= 1.52 USER MOD Single : A 85 TYR OH : rot -161:sc= 0.527 USER MOD Single : A 90 MET CE :methyl 139:sc= -0.25 (180deg=-0.915) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.57) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.796 2.124 -12.675 1.00 0.00 N ATOM 2 CA MET A 1 5.675 2.505 -11.251 1.00 0.00 C ATOM 3 C MET A 1 5.143 1.319 -10.452 1.00 0.00 C ATOM 4 O MET A 1 4.675 0.347 -11.036 1.00 0.00 O ATOM 5 CB MET A 1 4.742 3.708 -11.100 1.00 0.00 C ATOM 6 CG MET A 1 4.803 4.350 -9.726 1.00 0.00 C ATOM 7 SD MET A 1 6.476 4.827 -9.249 1.00 0.00 S ATOM 8 CE MET A 1 6.810 6.121 -10.443 1.00 0.00 C ATOM 0 H1 MET A 1 6.237 2.902 -13.206 1.00 0.00 H new ATOM 0 H2 MET A 1 6.385 1.271 -12.757 1.00 0.00 H new ATOM 0 H3 MET A 1 4.851 1.932 -13.064 1.00 0.00 H new ATOM 0 HA MET A 1 6.657 2.784 -10.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.998 4.454 -11.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.718 3.392 -11.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.162 5.231 -9.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.404 3.655 -8.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.518 5.756 -11.187 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.882 6.409 -10.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.234 6.986 -9.933 1.00 0.00 H new ATOM 20 N ARG A 2 5.219 1.380 -9.128 1.00 0.00 N ATOM 21 CA ARG A 2 4.713 0.312 -8.298 1.00 0.00 C ATOM 22 C ARG A 2 4.053 0.874 -7.047 1.00 0.00 C ATOM 23 O ARG A 2 4.497 1.883 -6.498 1.00 0.00 O ATOM 24 CB ARG A 2 5.813 -0.698 -7.938 1.00 0.00 C ATOM 25 CG ARG A 2 7.166 -0.125 -7.510 1.00 0.00 C ATOM 26 CD ARG A 2 7.984 0.384 -8.694 1.00 0.00 C ATOM 27 NE ARG A 2 9.420 0.122 -8.550 1.00 0.00 N ATOM 28 CZ ARG A 2 10.312 1.004 -8.088 1.00 0.00 C ATOM 29 NH1 ARG A 2 9.922 2.195 -7.653 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.600 0.690 -8.054 1.00 0.00 N ATOM 0 H ARG A 2 5.627 2.160 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 2 3.959 -0.226 -8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.442 -1.330 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.976 -1.344 -8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.005 0.691 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.733 -0.893 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.623 -0.088 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.825 1.457 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 2 9.763 -0.799 -8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.933 2.445 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.611 2.861 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.911 -0.225 -8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.280 1.364 -7.701 1.00 0.00 H new ATOM 44 N ILE A 3 2.983 0.225 -6.618 1.00 0.00 N ATOM 45 CA ILE A 3 2.180 0.707 -5.506 1.00 0.00 C ATOM 46 C ILE A 3 1.804 -0.451 -4.585 1.00 0.00 C ATOM 47 O ILE A 3 1.634 -1.585 -5.040 1.00 0.00 O ATOM 48 CB ILE A 3 0.904 1.420 -6.024 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.031 1.909 -4.864 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.112 0.499 -6.943 1.00 0.00 C ATOM 51 CD1 ILE A 3 -1.188 2.689 -5.306 1.00 0.00 C ATOM 0 H ILE A 3 2.648 -0.647 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 3 2.771 1.427 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 3 1.217 2.294 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.292 1.049 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.634 2.536 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.780 1.017 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.730 0.217 -7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.182 -0.397 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.757 3.002 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.873 3.569 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.813 2.059 -5.939 1.00 0.00 H new ATOM 63 N PHE A 4 1.706 -0.174 -3.292 1.00 0.00 N ATOM 64 CA PHE A 4 1.373 -1.201 -2.322 1.00 0.00 C ATOM 65 C PHE A 4 -0.132 -1.235 -2.084 1.00 0.00 C ATOM 66 O PHE A 4 -0.712 -0.277 -1.568 1.00 0.00 O ATOM 67 CB PHE A 4 2.122 -0.936 -1.013 1.00 0.00 C ATOM 68 CG PHE A 4 1.946 -2.004 0.032 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.706 -3.161 -0.013 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.028 -1.849 1.060 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.554 -4.142 0.946 1.00 0.00 C ATOM 72 CE2 PHE A 4 0.871 -2.826 2.021 1.00 0.00 C ATOM 73 CZ PHE A 4 1.636 -3.974 1.965 1.00 0.00 C ATOM 0 H PHE A 4 1.853 0.753 -2.893 1.00 0.00 H new ATOM 0 HA PHE A 4 1.678 -2.173 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.185 -0.831 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.785 0.016 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.425 -3.297 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.428 -0.952 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.152 -5.040 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.151 -2.693 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.517 -4.740 2.717 1.00 0.00 H new ATOM 83 N VAL A 5 -0.759 -2.327 -2.488 1.00 0.00 N ATOM 84 CA VAL A 5 -2.177 -2.527 -2.249 1.00 0.00 C ATOM 85 C VAL A 5 -2.356 -3.271 -0.936 1.00 0.00 C ATOM 86 O VAL A 5 -1.500 -4.056 -0.540 1.00 0.00 O ATOM 87 CB VAL A 5 -2.843 -3.300 -3.417 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.325 -3.561 -3.159 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.672 -2.523 -4.710 1.00 0.00 C ATOM 0 H VAL A 5 -0.304 -3.092 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.668 -1.556 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.349 -4.268 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.751 -4.105 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.437 -4.154 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.846 -2.611 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.141 -3.070 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.142 -1.544 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.610 -2.396 -4.921 1.00 0.00 H new ATOM 99 N TYR A 6 -3.440 -2.984 -0.255 1.00 0.00 N ATOM 100 CA TYR A 6 -3.703 -3.549 1.053 1.00 0.00 C ATOM 101 C TYR A 6 -5.126 -4.069 1.102 1.00 0.00 C ATOM 102 O TYR A 6 -5.983 -3.521 1.799 1.00 0.00 O ATOM 103 CB TYR A 6 -3.475 -2.490 2.137 1.00 0.00 C ATOM 104 CG TYR A 6 -3.400 -1.075 1.595 1.00 0.00 C ATOM 105 CD1 TYR A 6 -4.520 -0.443 1.059 1.00 0.00 C ATOM 106 CD2 TYR A 6 -2.201 -0.376 1.610 1.00 0.00 C ATOM 107 CE1 TYR A 6 -4.442 0.841 0.554 1.00 0.00 C ATOM 108 CE2 TYR A 6 -2.115 0.908 1.110 1.00 0.00 C ATOM 109 CZ TYR A 6 -3.238 1.512 0.582 1.00 0.00 C ATOM 110 OH TYR A 6 -3.153 2.791 0.076 1.00 0.00 O ATOM 0 H TYR A 6 -4.167 -2.352 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.019 -4.378 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.283 -2.549 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.550 -2.717 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.465 -0.965 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.319 -0.845 2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.319 1.316 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.174 1.437 1.132 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.627 2.781 -0.751 1.00 0.00 H new ATOM 357 N ALA A 22 -1.686 -3.199 -15.387 1.00 0.00 N ATOM 358 CA ALA A 22 -1.424 -3.771 -14.070 1.00 0.00 C ATOM 359 C ALA A 22 -0.694 -5.103 -14.160 1.00 0.00 C ATOM 360 O ALA A 22 -1.175 -6.052 -14.780 1.00 0.00 O ATOM 361 CB ALA A 22 -2.723 -3.946 -13.298 1.00 0.00 C ATOM 0 HA ALA A 22 -0.777 -3.072 -13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.509 -4.374 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.206 -2.977 -13.173 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.386 -4.613 -13.848 1.00 0.00 H new ATOM 367 N GLN A 23 0.474 -5.159 -13.544 1.00 0.00 N ATOM 368 CA GLN A 23 1.213 -6.402 -13.405 1.00 0.00 C ATOM 369 C GLN A 23 1.305 -6.783 -11.933 1.00 0.00 C ATOM 370 O GLN A 23 1.691 -5.968 -11.093 1.00 0.00 O ATOM 371 CB GLN A 23 2.617 -6.275 -14.005 1.00 0.00 C ATOM 372 CG GLN A 23 3.491 -7.498 -13.757 1.00 0.00 C ATOM 373 CD GLN A 23 4.871 -7.379 -14.375 1.00 0.00 C ATOM 374 OE1 GLN A 23 5.407 -6.285 -14.531 1.00 0.00 O ATOM 375 NE2 GLN A 23 5.468 -8.510 -14.712 1.00 0.00 N ATOM 0 H GLN A 23 0.935 -4.349 -13.128 1.00 0.00 H new ATOM 0 HA GLN A 23 0.682 -7.183 -13.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.532 -6.109 -15.079 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.106 -5.396 -13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.593 -7.653 -12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.994 -8.380 -14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.992 -9.401 -14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.404 -8.492 -15.116 1.00 0.00 H new ATOM 384 N LEU A 24 0.943 -8.014 -11.619 1.00 0.00 N ATOM 385 CA LEU A 24 1.007 -8.496 -10.251 1.00 0.00 C ATOM 386 C LEU A 24 2.438 -8.869 -9.890 1.00 0.00 C ATOM 387 O LEU A 24 2.953 -9.903 -10.321 1.00 0.00 O ATOM 388 CB LEU A 24 0.078 -9.697 -10.053 1.00 0.00 C ATOM 389 CG LEU A 24 0.147 -10.356 -8.670 1.00 0.00 C ATOM 390 CD1 LEU A 24 -0.181 -9.355 -7.574 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.800 -11.541 -8.602 1.00 0.00 C ATOM 0 H LEU A 24 0.601 -8.699 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 24 0.675 -7.695 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.948 -9.376 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.315 -10.447 -10.807 1.00 0.00 H new ATOM 0 HG LEU A 24 1.166 -10.711 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.125 -9.847 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.534 -8.533 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.188 -8.966 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.740 -11.999 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.820 -11.202 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.521 -12.274 -9.359 1.00 0.00 H new ATOM 403 N LEU A 25 3.080 -8.010 -9.116 1.00 0.00 N ATOM 404 CA LEU A 25 4.442 -8.255 -8.673 1.00 0.00 C ATOM 405 C LEU A 25 4.459 -9.399 -7.668 1.00 0.00 C ATOM 406 O LEU A 25 5.292 -10.304 -7.751 1.00 0.00 O ATOM 407 CB LEU A 25 5.047 -6.984 -8.068 1.00 0.00 C ATOM 408 CG LEU A 25 5.260 -5.832 -9.056 1.00 0.00 C ATOM 409 CD1 LEU A 25 5.776 -4.594 -8.339 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.224 -6.251 -10.157 1.00 0.00 C ATOM 0 H LEU A 25 2.678 -7.134 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 25 5.051 -8.538 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.397 -6.638 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.006 -7.236 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 25 4.299 -5.587 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.920 -3.789 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.052 -4.282 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.726 -4.823 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.366 -5.423 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.183 -6.523 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.814 -7.107 -10.693 1.00 0.00 H new ATOM 422 N GLY A 26 3.530 -9.362 -6.726 1.00 0.00 N ATOM 423 CA GLY A 26 3.388 -10.449 -5.785 1.00 0.00 C ATOM 424 C GLY A 26 2.997 -9.950 -4.418 1.00 0.00 C ATOM 425 O GLY A 26 3.041 -8.746 -4.161 1.00 0.00 O ATOM 0 H GLY A 26 2.870 -8.595 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.635 -11.149 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.327 -10.998 -5.718 1.00 0.00 H new ATOM 429 N ASP A 27 2.603 -10.860 -3.542 1.00 0.00 N ATOM 430 CA ASP A 27 2.249 -10.488 -2.182 1.00 0.00 C ATOM 431 C ASP A 27 3.485 -10.043 -1.434 1.00 0.00 C ATOM 432 O ASP A 27 4.603 -10.481 -1.728 1.00 0.00 O ATOM 433 CB ASP A 27 1.622 -11.645 -1.401 1.00 0.00 C ATOM 434 CG ASP A 27 0.372 -12.214 -2.039 1.00 0.00 C ATOM 435 OD1 ASP A 27 0.482 -12.861 -3.099 1.00 0.00 O ATOM 436 OD2 ASP A 27 -0.723 -12.039 -1.461 1.00 0.00 O ATOM 0 H ASP A 27 2.521 -11.856 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 27 1.518 -9.683 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.359 -12.441 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.380 -11.302 -0.395 1.00 0.00 H new ATOM 441 N PHE A 28 3.274 -9.181 -0.474 1.00 0.00 N ATOM 442 CA PHE A 28 4.337 -8.721 0.401 1.00 0.00 C ATOM 443 C PHE A 28 3.748 -8.220 1.711 1.00 0.00 C ATOM 444 O PHE A 28 3.420 -7.044 1.855 1.00 0.00 O ATOM 445 CB PHE A 28 5.164 -7.634 -0.295 1.00 0.00 C ATOM 446 CG PHE A 28 6.257 -7.034 0.545 1.00 0.00 C ATOM 447 CD1 PHE A 28 7.114 -7.836 1.282 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.424 -5.660 0.592 1.00 0.00 C ATOM 449 CE1 PHE A 28 8.112 -7.277 2.054 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.420 -5.096 1.364 1.00 0.00 C ATOM 451 CZ PHE A 28 8.266 -5.904 2.094 1.00 0.00 C ATOM 0 H PHE A 28 2.361 -8.774 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 28 5.005 -9.552 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.609 -8.057 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.493 -6.837 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.000 -8.910 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.768 -5.022 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.772 -7.912 2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.536 -4.023 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.048 -5.465 2.696 1.00 0.00 H new ATOM 461 N SER A 29 3.565 -9.141 2.643 1.00 0.00 N ATOM 462 CA SER A 29 3.043 -8.805 3.954 1.00 0.00 C ATOM 463 C SER A 29 4.137 -8.176 4.807 1.00 0.00 C ATOM 464 O SER A 29 5.236 -8.722 4.919 1.00 0.00 O ATOM 465 CB SER A 29 2.482 -10.056 4.628 1.00 0.00 C ATOM 466 OG SER A 29 1.571 -10.722 3.768 1.00 0.00 O ATOM 0 H SER A 29 3.772 -10.131 2.513 1.00 0.00 H new ATOM 0 HA SER A 29 2.236 -8.081 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.297 -10.729 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.980 -9.781 5.556 1.00 0.00 H new ATOM 0 HG SER A 29 1.223 -11.521 4.216 1.00 0.00 H new ATOM 472 N ILE A 30 3.841 -7.029 5.399 1.00 0.00 N ATOM 473 CA ILE A 30 4.841 -6.295 6.155 1.00 0.00 C ATOM 474 C ILE A 30 4.479 -6.228 7.628 1.00 0.00 C ATOM 475 O ILE A 30 3.334 -5.958 7.992 1.00 0.00 O ATOM 476 CB ILE A 30 5.052 -4.872 5.593 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.718 -4.137 5.451 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.767 -4.944 4.256 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.840 -2.774 4.798 1.00 0.00 C ATOM 0 H ILE A 30 2.921 -6.589 5.370 1.00 0.00 H new ATOM 0 HA ILE A 30 5.779 -6.841 6.053 1.00 0.00 H new ATOM 0 HB ILE A 30 5.670 -4.311 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.035 -4.752 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.272 -4.019 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.912 -3.936 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.736 -5.425 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.167 -5.522 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.855 -2.313 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.497 -2.142 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.257 -2.886 3.797 1.00 0.00 H new ATOM 491 N ASP A 31 5.462 -6.494 8.465 1.00 0.00 N ATOM 492 CA ASP A 31 5.273 -6.524 9.903 1.00 0.00 C ATOM 493 C ASP A 31 5.342 -5.123 10.491 1.00 0.00 C ATOM 494 O ASP A 31 5.932 -4.222 9.897 1.00 0.00 O ATOM 495 CB ASP A 31 6.343 -7.405 10.547 1.00 0.00 C ATOM 496 CG ASP A 31 7.748 -6.931 10.234 1.00 0.00 C ATOM 497 OD1 ASP A 31 8.273 -7.282 9.155 1.00 0.00 O ATOM 498 OD2 ASP A 31 8.335 -6.210 11.066 1.00 0.00 O ATOM 0 H ASP A 31 6.416 -6.696 8.167 1.00 0.00 H new ATOM 0 HA ASP A 31 4.285 -6.936 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.199 -7.416 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.223 -8.431 10.199 1.00 0.00 H new ATOM 503 N ASN A 32 4.722 -4.958 11.656 1.00 0.00 N ATOM 504 CA ASN A 32 4.743 -3.697 12.399 1.00 0.00 C ATOM 505 C ASN A 32 3.977 -2.591 11.673 1.00 0.00 C ATOM 506 O ASN A 32 4.335 -1.416 11.756 1.00 0.00 O ATOM 507 CB ASN A 32 6.186 -3.251 12.694 1.00 0.00 C ATOM 508 CG ASN A 32 6.844 -4.082 13.784 1.00 0.00 C ATOM 509 OD1 ASN A 32 6.740 -3.766 14.970 1.00 0.00 O ATOM 510 ND2 ASN A 32 7.536 -5.143 13.394 1.00 0.00 N ATOM 0 H ASN A 32 4.188 -5.696 12.115 1.00 0.00 H new ATOM 0 HA ASN A 32 4.237 -3.879 13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.778 -3.322 11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.184 -2.203 12.993 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.004 -5.729 14.085 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.600 -5.374 12.403 1.00 0.00 H new ATOM 517 N TYR A 33 2.906 -2.967 10.977 1.00 0.00 N ATOM 518 CA TYR A 33 1.991 -1.990 10.393 1.00 0.00 C ATOM 519 C TYR A 33 0.550 -2.351 10.737 1.00 0.00 C ATOM 520 O TYR A 33 0.285 -3.416 11.288 1.00 0.00 O ATOM 521 CB TYR A 33 2.149 -1.888 8.871 1.00 0.00 C ATOM 522 CG TYR A 33 3.471 -1.311 8.414 1.00 0.00 C ATOM 523 CD1 TYR A 33 4.572 -2.125 8.198 1.00 0.00 C ATOM 524 CD2 TYR A 33 3.610 0.052 8.185 1.00 0.00 C ATOM 525 CE1 TYR A 33 5.777 -1.599 7.772 1.00 0.00 C ATOM 526 CE2 TYR A 33 4.811 0.587 7.761 1.00 0.00 C ATOM 527 CZ TYR A 33 5.891 -0.243 7.555 1.00 0.00 C ATOM 528 OH TYR A 33 7.090 0.289 7.136 1.00 0.00 O ATOM 0 H TYR A 33 2.651 -3.939 10.804 1.00 0.00 H new ATOM 0 HA TYR A 33 2.241 -1.018 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.032 -2.882 8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.342 -1.272 8.475 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.487 -3.189 8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.764 0.705 8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.625 -2.248 7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.903 1.650 7.592 1.00 0.00 H new ATOM 0 HH TYR A 33 6.998 1.259 7.030 1.00 0.00 H new ATOM 538 N GLN A 34 -0.370 -1.458 10.406 1.00 0.00 N ATOM 539 CA GLN A 34 -1.781 -1.640 10.718 1.00 0.00 C ATOM 540 C GLN A 34 -2.653 -1.173 9.556 1.00 0.00 C ATOM 541 O GLN A 34 -2.224 -0.349 8.741 1.00 0.00 O ATOM 542 CB GLN A 34 -2.134 -0.863 11.985 1.00 0.00 C ATOM 543 CG GLN A 34 -1.527 -1.452 13.249 1.00 0.00 C ATOM 544 CD GLN A 34 -1.665 -0.540 14.452 1.00 0.00 C ATOM 545 OE1 GLN A 34 -1.785 -1.003 15.584 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.625 0.764 14.215 1.00 0.00 N ATOM 0 H GLN A 34 -0.161 -0.589 9.915 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.969 -2.701 10.883 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.796 0.167 11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.218 -0.833 12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.008 -2.406 13.466 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.471 -1.659 13.076 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.524 1.106 13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.695 1.425 14.988 1.00 0.00 H new ATOM 555 N LEU A 35 -3.875 -1.693 9.489 1.00 0.00 N ATOM 556 CA LEU A 35 -4.793 -1.379 8.398 1.00 0.00 C ATOM 557 C LEU A 35 -6.107 -0.808 8.939 1.00 0.00 C ATOM 558 O LEU A 35 -6.721 -1.385 9.831 1.00 0.00 O ATOM 559 CB LEU A 35 -5.067 -2.647 7.583 1.00 0.00 C ATOM 560 CG LEU A 35 -5.892 -2.451 6.309 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.112 -1.649 5.280 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.307 -3.794 5.734 1.00 0.00 C ATOM 0 H LEU A 35 -4.255 -2.338 10.182 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.334 -0.625 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.112 -3.095 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.584 -3.363 8.222 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.791 -1.891 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.718 -1.522 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.865 -0.671 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.194 -2.178 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.893 -3.637 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.418 -4.377 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.908 -4.333 6.466 1.00 0.00 H new ATOM 574 N TYR A 36 -6.525 0.333 8.408 1.00 0.00 N ATOM 575 CA TYR A 36 -7.771 0.970 8.830 1.00 0.00 C ATOM 576 C TYR A 36 -8.959 0.521 7.988 1.00 0.00 C ATOM 577 O TYR A 36 -8.855 0.367 6.770 1.00 0.00 O ATOM 578 CB TYR A 36 -7.656 2.491 8.745 1.00 0.00 C ATOM 579 CG TYR A 36 -6.723 3.083 9.766 1.00 0.00 C ATOM 580 CD1 TYR A 36 -7.153 3.322 11.063 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.412 3.392 9.437 1.00 0.00 C ATOM 582 CE1 TYR A 36 -6.300 3.859 12.006 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.553 3.928 10.371 1.00 0.00 C ATOM 584 CZ TYR A 36 -5.000 4.158 11.656 1.00 0.00 C ATOM 585 OH TYR A 36 -4.147 4.696 12.594 1.00 0.00 O ATOM 0 H TYR A 36 -6.019 0.840 7.682 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.941 0.665 9.862 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.312 2.766 7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.646 2.929 8.872 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.170 3.085 11.339 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.059 3.210 8.433 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.648 4.044 13.011 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.535 4.167 10.099 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.827 5.569 12.283 1.00 0.00 H new ATOM 595 N SER A 37 -10.092 0.333 8.649 1.00 0.00 N ATOM 596 CA SER A 37 -11.334 -0.001 7.979 1.00 0.00 C ATOM 597 C SER A 37 -12.337 1.135 8.128 1.00 0.00 C ATOM 598 O SER A 37 -12.830 1.404 9.226 1.00 0.00 O ATOM 599 CB SER A 37 -11.928 -1.286 8.554 1.00 0.00 C ATOM 600 OG SER A 37 -11.056 -2.380 8.353 1.00 0.00 O ATOM 0 H SER A 37 -10.173 0.408 9.663 1.00 0.00 H new ATOM 0 HA SER A 37 -11.118 -0.154 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.118 -1.158 9.620 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.889 -1.490 8.081 1.00 0.00 H new ATOM 0 HG SER A 37 -11.484 -3.036 7.764 1.00 0.00 H new ATOM 606 N LEU A 38 -12.608 1.820 7.029 1.00 0.00 N ATOM 607 CA LEU A 38 -13.631 2.853 7.009 1.00 0.00 C ATOM 608 C LEU A 38 -14.698 2.523 5.971 1.00 0.00 C ATOM 609 O LEU A 38 -15.598 3.321 5.712 1.00 0.00 O ATOM 610 CB LEU A 38 -13.026 4.241 6.746 1.00 0.00 C ATOM 611 CG LEU A 38 -11.995 4.335 5.617 1.00 0.00 C ATOM 612 CD1 LEU A 38 -11.978 5.740 5.036 1.00 0.00 C ATOM 613 CD2 LEU A 38 -10.605 3.975 6.131 1.00 0.00 C ATOM 0 H LEU A 38 -12.133 1.679 6.137 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.098 2.881 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.840 4.931 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.557 4.588 7.666 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.276 3.628 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.241 5.793 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.964 5.982 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.717 6.454 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.886 4.047 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.322 4.664 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.613 2.956 6.519 1.00 0.00 H new ATOM 625 N GLY A 39 -14.590 1.336 5.383 1.00 0.00 N ATOM 626 CA GLY A 39 -15.591 0.869 4.438 1.00 0.00 C ATOM 627 C GLY A 39 -15.319 1.320 3.016 1.00 0.00 C ATOM 628 O GLY A 39 -15.237 0.498 2.106 1.00 0.00 O ATOM 0 H GLY A 39 -13.822 0.684 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.630 -0.220 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.571 1.231 4.747 1.00 0.00 H new ATOM 632 N HIS A 40 -15.166 2.624 2.833 1.00 0.00 N ATOM 633 CA HIS A 40 -14.984 3.206 1.505 1.00 0.00 C ATOM 634 C HIS A 40 -13.706 2.682 0.846 1.00 0.00 C ATOM 635 O HIS A 40 -13.715 2.286 -0.318 1.00 0.00 O ATOM 636 CB HIS A 40 -14.943 4.729 1.621 1.00 0.00 C ATOM 637 CG HIS A 40 -15.371 5.456 0.384 1.00 0.00 C ATOM 638 ND1 HIS A 40 -16.680 5.517 -0.034 1.00 0.00 N ATOM 639 CD2 HIS A 40 -14.662 6.182 -0.508 1.00 0.00 C ATOM 640 CE1 HIS A 40 -16.757 6.251 -1.128 1.00 0.00 C ATOM 641 NE2 HIS A 40 -15.544 6.672 -1.439 1.00 0.00 N ATOM 0 H HIS A 40 -15.164 3.306 3.592 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.824 2.914 0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.584 5.035 2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.928 5.035 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.595 6.347 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -17.661 6.471 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.303 7.261 -2.236 1.00 0.00 H new ATOM 650 N TYR A 41 -12.618 2.694 1.603 1.00 0.00 N ATOM 651 CA TYR A 41 -11.333 2.150 1.160 1.00 0.00 C ATOM 652 C TYR A 41 -10.387 2.033 2.352 1.00 0.00 C ATOM 653 O TYR A 41 -10.565 2.729 3.347 1.00 0.00 O ATOM 654 CB TYR A 41 -10.693 2.990 0.033 1.00 0.00 C ATOM 655 CG TYR A 41 -10.932 4.488 0.105 1.00 0.00 C ATOM 656 CD1 TYR A 41 -10.942 5.173 1.314 1.00 0.00 C ATOM 657 CD2 TYR A 41 -11.152 5.216 -1.058 1.00 0.00 C ATOM 658 CE1 TYR A 41 -11.168 6.535 1.359 1.00 0.00 C ATOM 659 CE2 TYR A 41 -11.373 6.577 -1.019 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.383 7.231 0.192 1.00 0.00 C ATOM 661 OH TYR A 41 -11.612 8.584 0.235 1.00 0.00 O ATOM 0 H TYR A 41 -12.597 3.082 2.546 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.518 1.160 0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.618 2.812 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.070 2.627 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.770 4.632 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.150 4.707 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.176 7.052 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.537 7.127 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.743 8.923 -0.675 1.00 0.00 H new ATOM 671 N PRO A 42 -9.392 1.135 2.286 1.00 0.00 N ATOM 672 CA PRO A 42 -8.475 0.880 3.398 1.00 0.00 C ATOM 673 C PRO A 42 -7.356 1.917 3.521 1.00 0.00 C ATOM 674 O PRO A 42 -6.888 2.479 2.524 1.00 0.00 O ATOM 675 CB PRO A 42 -7.871 -0.496 3.069 1.00 0.00 C ATOM 676 CG PRO A 42 -8.524 -0.951 1.801 1.00 0.00 C ATOM 677 CD PRO A 42 -9.084 0.274 1.142 1.00 0.00 C ATOM 0 HA PRO A 42 -9.005 0.926 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.790 -0.427 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.055 -1.204 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.803 -1.445 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.313 -1.673 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.364 0.737 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.973 0.048 0.553 1.00 0.00 H new ATOM 685 N GLY A 43 -6.935 2.155 4.758 1.00 0.00 N ATOM 686 CA GLY A 43 -5.787 3.005 5.025 1.00 0.00 C ATOM 687 C GLY A 43 -4.725 2.226 5.768 1.00 0.00 C ATOM 688 O GLY A 43 -5.035 1.211 6.383 1.00 0.00 O ATOM 0 H GLY A 43 -7.375 1.768 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.381 3.386 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.094 3.869 5.614 1.00 0.00 H new ATOM 692 N ALA A 44 -3.487 2.690 5.748 1.00 0.00 N ATOM 693 CA ALA A 44 -2.385 1.888 6.277 1.00 0.00 C ATOM 694 C ALA A 44 -1.352 2.752 6.981 1.00 0.00 C ATOM 695 O ALA A 44 -1.050 3.855 6.529 1.00 0.00 O ATOM 696 CB ALA A 44 -1.733 1.094 5.158 1.00 0.00 C ATOM 0 H ALA A 44 -3.217 3.602 5.379 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.797 1.198 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.914 0.500 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.471 0.432 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.346 1.779 4.403 1.00 0.00 H new ATOM 702 N VAL A 45 -0.802 2.232 8.078 1.00 0.00 N ATOM 703 CA VAL A 45 0.147 2.975 8.910 1.00 0.00 C ATOM 704 C VAL A 45 1.049 2.002 9.659 1.00 0.00 C ATOM 705 O VAL A 45 0.766 0.809 9.687 1.00 0.00 O ATOM 706 CB VAL A 45 -0.558 3.873 9.956 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.407 4.945 9.289 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.392 3.033 10.918 1.00 0.00 C ATOM 0 H VAL A 45 -0.999 1.290 8.414 1.00 0.00 H new ATOM 0 HA VAL A 45 0.722 3.611 8.237 1.00 0.00 H new ATOM 0 HB VAL A 45 0.216 4.381 10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.887 5.557 10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.773 5.575 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.170 4.472 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.878 3.685 11.644 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.150 2.484 10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.745 2.328 11.440 1.00 0.00 H new ATOM 718 N PRO A 46 2.147 2.482 10.265 1.00 0.00 N ATOM 719 CA PRO A 46 2.989 1.655 11.135 1.00 0.00 C ATOM 720 C PRO A 46 2.305 1.355 12.472 1.00 0.00 C ATOM 721 O PRO A 46 1.412 2.090 12.900 1.00 0.00 O ATOM 722 CB PRO A 46 4.244 2.511 11.360 1.00 0.00 C ATOM 723 CG PRO A 46 4.144 3.638 10.385 1.00 0.00 C ATOM 724 CD PRO A 46 2.679 3.845 10.144 1.00 0.00 C ATOM 0 HA PRO A 46 3.203 0.684 10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.287 2.882 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.150 1.929 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.606 4.541 10.784 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.662 3.398 9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.238 4.520 10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.485 4.272 9.160 1.00 0.00 H new ATOM 732 N GLY A 47 2.723 0.280 13.124 1.00 0.00 N ATOM 733 CA GLY A 47 2.148 -0.097 14.401 1.00 0.00 C ATOM 734 C GLY A 47 2.604 -1.473 14.838 1.00 0.00 C ATOM 735 O GLY A 47 3.800 -1.710 15.006 1.00 0.00 O ATOM 0 H GLY A 47 3.457 -0.344 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.429 0.636 15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.060 -0.080 14.329 1.00 0.00 H new ATOM 739 N ASN A 48 1.661 -2.387 15.007 1.00 0.00 N ATOM 740 CA ASN A 48 1.981 -3.754 15.385 1.00 0.00 C ATOM 741 C ASN A 48 1.007 -4.719 14.728 1.00 0.00 C ATOM 742 O ASN A 48 -0.081 -4.969 15.247 1.00 0.00 O ATOM 743 CB ASN A 48 1.943 -3.933 16.907 1.00 0.00 C ATOM 744 CG ASN A 48 2.284 -5.352 17.331 1.00 0.00 C ATOM 745 OD1 ASN A 48 3.085 -6.029 16.687 1.00 0.00 O ATOM 746 ND2 ASN A 48 1.678 -5.818 18.413 1.00 0.00 N ATOM 0 H ASN A 48 0.664 -2.205 14.888 1.00 0.00 H new ATOM 0 HA ASN A 48 2.993 -3.970 15.041 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.645 -3.240 17.370 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.950 -3.675 17.276 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.870 -6.766 18.737 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.020 -5.229 18.922 1.00 0.00 H new ATOM 753 N GLY A 49 1.386 -5.205 13.562 1.00 0.00 N ATOM 754 CA GLY A 49 0.591 -6.187 12.858 1.00 0.00 C ATOM 755 C GLY A 49 1.233 -6.577 11.546 1.00 0.00 C ATOM 756 O GLY A 49 2.146 -5.892 11.076 1.00 0.00 O ATOM 0 H GLY A 49 2.244 -4.933 13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.467 -7.072 13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.405 -5.786 12.672 1.00 0.00 H new ATOM 760 N THR A 50 0.776 -7.669 10.959 1.00 0.00 N ATOM 761 CA THR A 50 1.312 -8.130 9.690 1.00 0.00 C ATOM 762 C THR A 50 0.369 -7.758 8.552 1.00 0.00 C ATOM 763 O THR A 50 -0.650 -8.419 8.332 1.00 0.00 O ATOM 764 CB THR A 50 1.527 -9.654 9.699 1.00 0.00 C ATOM 765 OG1 THR A 50 2.133 -10.049 10.937 1.00 0.00 O ATOM 766 CG2 THR A 50 2.411 -10.086 8.537 1.00 0.00 C ATOM 0 H THR A 50 0.033 -8.254 11.342 1.00 0.00 H new ATOM 0 HA THR A 50 2.275 -7.643 9.539 1.00 0.00 H new ATOM 0 HB THR A 50 0.556 -10.138 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.267 -11.020 10.941 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.548 -11.167 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.938 -9.805 7.596 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.381 -9.596 8.616 1.00 0.00 H new ATOM 774 N VAL A 51 0.714 -6.709 7.822 1.00 0.00 N ATOM 775 CA VAL A 51 -0.165 -6.201 6.786 1.00 0.00 C ATOM 776 C VAL A 51 0.001 -6.989 5.508 1.00 0.00 C ATOM 777 O VAL A 51 1.012 -6.876 4.815 1.00 0.00 O ATOM 778 CB VAL A 51 0.071 -4.701 6.503 1.00 0.00 C ATOM 779 CG1 VAL A 51 -0.750 -4.231 5.309 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.279 -3.877 7.729 1.00 0.00 C ATOM 0 H VAL A 51 1.590 -6.197 7.928 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.184 -6.317 7.155 1.00 0.00 H new ATOM 0 HB VAL A 51 1.126 -4.564 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.563 -3.171 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.465 -4.801 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.810 -4.384 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.109 -2.821 7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.327 -4.032 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.348 -4.186 8.566 1.00 0.00 H new ATOM 790 N HIS A 52 -0.995 -7.806 5.226 1.00 0.00 N ATOM 791 CA HIS A 52 -1.052 -8.548 3.985 1.00 0.00 C ATOM 792 C HIS A 52 -1.306 -7.578 2.841 1.00 0.00 C ATOM 793 O HIS A 52 -2.401 -7.032 2.709 1.00 0.00 O ATOM 794 CB HIS A 52 -2.145 -9.630 4.065 1.00 0.00 C ATOM 795 CG HIS A 52 -2.730 -10.026 2.738 1.00 0.00 C ATOM 796 ND1 HIS A 52 -2.081 -10.826 1.828 1.00 0.00 N ATOM 797 CD2 HIS A 52 -3.897 -9.668 2.160 1.00 0.00 C ATOM 798 CE1 HIS A 52 -2.822 -10.935 0.741 1.00 0.00 C ATOM 799 NE2 HIS A 52 -3.934 -10.236 0.908 1.00 0.00 N ATOM 0 H HIS A 52 -1.785 -7.973 5.850 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.104 -9.055 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.727 -10.516 4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.948 -9.270 4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.663 -9.048 2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.563 -11.502 -0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.687 -10.136 0.227 1.00 0.00 H new ATOM 808 N GLY A 53 -0.281 -7.345 2.041 1.00 0.00 N ATOM 809 CA GLY A 53 -0.402 -6.410 0.951 1.00 0.00 C ATOM 810 C GLY A 53 -0.080 -7.030 -0.389 1.00 0.00 C ATOM 811 O GLY A 53 0.764 -7.927 -0.483 1.00 0.00 O ATOM 0 H GLY A 53 0.633 -7.788 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.417 -6.014 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.266 -5.566 1.126 1.00 0.00 H new ATOM 815 N GLU A 54 -0.759 -6.552 -1.416 1.00 0.00 N ATOM 816 CA GLU A 54 -0.549 -7.011 -2.773 1.00 0.00 C ATOM 817 C GLU A 54 0.254 -5.964 -3.542 1.00 0.00 C ATOM 818 O GLU A 54 -0.257 -4.892 -3.863 1.00 0.00 O ATOM 819 CB GLU A 54 -1.896 -7.258 -3.475 1.00 0.00 C ATOM 820 CG GLU A 54 -2.804 -8.279 -2.783 1.00 0.00 C ATOM 821 CD GLU A 54 -3.648 -7.699 -1.652 1.00 0.00 C ATOM 822 OE1 GLU A 54 -3.571 -6.477 -1.397 1.00 0.00 O ATOM 823 OE2 GLU A 54 -4.406 -8.472 -1.018 1.00 0.00 O ATOM 0 H GLU A 54 -1.475 -5.831 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 54 0.003 -7.951 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.430 -6.310 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.702 -7.596 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.467 -8.721 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.188 -9.086 -2.385 1.00 0.00 H new ATOM 830 N VAL A 55 1.517 -6.252 -3.814 1.00 0.00 N ATOM 831 CA VAL A 55 2.360 -5.295 -4.521 1.00 0.00 C ATOM 832 C VAL A 55 2.105 -5.376 -6.021 1.00 0.00 C ATOM 833 O VAL A 55 2.328 -6.415 -6.650 1.00 0.00 O ATOM 834 CB VAL A 55 3.863 -5.511 -4.229 1.00 0.00 C ATOM 835 CG1 VAL A 55 4.707 -4.404 -4.847 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.106 -5.583 -2.731 1.00 0.00 C ATOM 0 H VAL A 55 1.978 -7.126 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 55 2.095 -4.302 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 55 4.161 -6.457 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.759 -4.582 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.560 -4.394 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.406 -3.442 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.169 -5.735 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.784 -4.652 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.540 -6.414 -2.310 1.00 0.00 H new ATOM 846 N TYR A 56 1.616 -4.281 -6.583 1.00 0.00 N ATOM 847 CA TYR A 56 1.265 -4.231 -7.993 1.00 0.00 C ATOM 848 C TYR A 56 2.147 -3.249 -8.752 1.00 0.00 C ATOM 849 O TYR A 56 2.583 -2.229 -8.211 1.00 0.00 O ATOM 850 CB TYR A 56 -0.202 -3.830 -8.172 1.00 0.00 C ATOM 851 CG TYR A 56 -1.140 -4.988 -8.431 1.00 0.00 C ATOM 852 CD1 TYR A 56 -1.679 -5.729 -7.385 1.00 0.00 C ATOM 853 CD2 TYR A 56 -1.496 -5.331 -9.728 1.00 0.00 C ATOM 854 CE1 TYR A 56 -2.546 -6.780 -7.629 1.00 0.00 C ATOM 855 CE2 TYR A 56 -2.364 -6.375 -9.981 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.885 -7.098 -8.930 1.00 0.00 C ATOM 857 OH TYR A 56 -3.756 -8.138 -9.180 1.00 0.00 O ATOM 0 H TYR A 56 1.453 -3.409 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 56 1.422 -5.230 -8.399 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.534 -3.303 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.275 -3.127 -9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.417 -5.481 -6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.086 -4.771 -10.555 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.955 -7.348 -6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.633 -6.623 -10.997 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.889 -8.228 -10.147 1.00 0.00 H new ATOM 867 N ARG A 57 2.400 -3.570 -10.008 1.00 0.00 N ATOM 868 CA ARG A 57 3.132 -2.689 -10.896 1.00 0.00 C ATOM 869 C ARG A 57 2.192 -2.104 -11.939 1.00 0.00 C ATOM 870 O ARG A 57 1.414 -2.826 -12.558 1.00 0.00 O ATOM 871 CB ARG A 57 4.271 -3.440 -11.591 1.00 0.00 C ATOM 872 CG ARG A 57 4.996 -2.607 -12.638 1.00 0.00 C ATOM 873 CD ARG A 57 5.958 -3.446 -13.457 1.00 0.00 C ATOM 874 NE ARG A 57 6.614 -2.658 -14.499 1.00 0.00 N ATOM 875 CZ ARG A 57 7.044 -3.161 -15.657 1.00 0.00 C ATOM 876 NH1 ARG A 57 6.846 -4.439 -15.948 1.00 0.00 N ATOM 877 NH2 ARG A 57 7.654 -2.375 -16.531 1.00 0.00 N ATOM 0 H ARG A 57 2.104 -4.446 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 57 3.560 -1.883 -10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.989 -3.771 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.869 -4.336 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.267 -2.140 -13.300 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.543 -1.802 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.712 -3.880 -12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.418 -4.276 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 57 6.751 -1.662 -14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.362 -5.044 -15.285 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.177 -4.817 -16.835 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.794 -1.387 -16.318 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.984 -2.757 -17.417 1.00 0.00 H new ATOM 891 N ILE A 58 2.269 -0.799 -12.119 1.00 0.00 N ATOM 892 CA ILE A 58 1.476 -0.106 -13.118 1.00 0.00 C ATOM 893 C ILE A 58 2.314 0.976 -13.775 1.00 0.00 C ATOM 894 O ILE A 58 3.380 1.324 -13.268 1.00 0.00 O ATOM 895 CB ILE A 58 0.184 0.506 -12.520 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.410 1.013 -11.089 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.945 -0.510 -12.547 1.00 0.00 C ATOM 898 CD1 ILE A 58 1.240 2.273 -10.999 1.00 0.00 C ATOM 0 H ILE A 58 2.882 -0.190 -11.578 1.00 0.00 H new ATOM 0 HA ILE A 58 1.168 -0.839 -13.864 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.093 1.361 -13.136 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.559 1.196 -10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.898 0.228 -10.511 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.845 -0.065 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.139 -0.811 -13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.662 -1.384 -11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.351 2.562 -9.954 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.224 2.092 -11.432 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.745 3.075 -11.546 1.00 0.00 H new ATOM 910 N ASP A 59 1.862 1.478 -14.909 1.00 0.00 N ATOM 911 CA ASP A 59 2.544 2.575 -15.593 1.00 0.00 C ATOM 912 C ASP A 59 2.801 3.750 -14.638 1.00 0.00 C ATOM 913 O ASP A 59 1.971 4.052 -13.780 1.00 0.00 O ATOM 914 CB ASP A 59 1.720 3.019 -16.799 1.00 0.00 C ATOM 915 CG ASP A 59 1.994 4.451 -17.203 1.00 0.00 C ATOM 916 OD1 ASP A 59 3.101 4.740 -17.691 1.00 0.00 O ATOM 917 OD2 ASP A 59 1.095 5.293 -17.020 1.00 0.00 O ATOM 0 H ASP A 59 1.022 1.146 -15.382 1.00 0.00 H new ATOM 0 HA ASP A 59 3.515 2.222 -15.940 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.935 2.362 -17.641 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.660 2.908 -16.570 1.00 0.00 H new ATOM 922 N ASN A 60 3.961 4.398 -14.785 1.00 0.00 N ATOM 923 CA ASN A 60 4.349 5.514 -13.911 1.00 0.00 C ATOM 924 C ASN A 60 3.270 6.600 -13.897 1.00 0.00 C ATOM 925 O ASN A 60 2.852 7.062 -12.835 1.00 0.00 O ATOM 926 CB ASN A 60 5.669 6.150 -14.370 1.00 0.00 C ATOM 927 CG ASN A 60 6.878 5.251 -14.199 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.908 4.388 -13.327 1.00 0.00 O ATOM 929 ND2 ASN A 60 7.888 5.456 -15.024 1.00 0.00 N ATOM 0 H ASN A 60 4.650 4.170 -15.502 1.00 0.00 H new ATOM 0 HA ASN A 60 4.473 5.102 -12.910 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.581 6.428 -15.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.831 7.071 -13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.731 4.887 -14.949 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.825 6.183 -15.736 1.00 0.00 H new ATOM 936 N ALA A 61 2.819 6.993 -15.087 1.00 0.00 N ATOM 937 CA ALA A 61 1.840 8.068 -15.223 1.00 0.00 C ATOM 938 C ALA A 61 0.492 7.660 -14.637 1.00 0.00 C ATOM 939 O ALA A 61 -0.249 8.493 -14.121 1.00 0.00 O ATOM 940 CB ALA A 61 1.691 8.465 -16.685 1.00 0.00 C ATOM 0 H ALA A 61 3.117 6.582 -15.972 1.00 0.00 H new ATOM 0 HA ALA A 61 2.201 8.930 -14.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.958 9.267 -16.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.652 8.808 -17.069 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.356 7.604 -17.264 1.00 0.00 H new ATOM 946 N THR A 62 0.178 6.378 -14.748 1.00 0.00 N ATOM 947 CA THR A 62 -1.005 5.803 -14.123 1.00 0.00 C ATOM 948 C THR A 62 -1.003 6.060 -12.615 1.00 0.00 C ATOM 949 O THR A 62 -2.045 6.314 -12.009 1.00 0.00 O ATOM 950 CB THR A 62 -1.071 4.289 -14.396 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.058 4.061 -15.813 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.322 3.673 -13.784 1.00 0.00 C ATOM 0 H THR A 62 0.736 5.706 -15.274 1.00 0.00 H new ATOM 0 HA THR A 62 -1.883 6.282 -14.555 1.00 0.00 H new ATOM 0 HB THR A 62 -0.204 3.816 -13.936 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.373 4.625 -16.229 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.341 2.603 -13.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.315 3.832 -12.706 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.207 4.142 -14.214 1.00 0.00 H new ATOM 960 N LEU A 63 0.179 6.006 -12.016 1.00 0.00 N ATOM 961 CA LEU A 63 0.325 6.256 -10.591 1.00 0.00 C ATOM 962 C LEU A 63 0.000 7.714 -10.307 1.00 0.00 C ATOM 963 O LEU A 63 -0.694 8.034 -9.345 1.00 0.00 O ATOM 964 CB LEU A 63 1.744 5.901 -10.132 1.00 0.00 C ATOM 965 CG LEU A 63 1.895 5.509 -8.654 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.879 6.724 -7.746 1.00 0.00 C ATOM 967 CD2 LEU A 63 0.804 4.528 -8.257 1.00 0.00 C ATOM 0 H LEU A 63 1.052 5.791 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.368 5.627 -10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.107 5.076 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.393 6.755 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 63 2.865 5.027 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.988 6.405 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.703 7.387 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.934 7.255 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.922 4.258 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.172 4.990 -8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.879 3.632 -8.873 1.00 0.00 H new ATOM 979 N ALA A 64 0.492 8.589 -11.181 1.00 0.00 N ATOM 980 CA ALA A 64 0.192 10.014 -11.100 1.00 0.00 C ATOM 981 C ALA A 64 -1.290 10.272 -11.354 1.00 0.00 C ATOM 982 O ALA A 64 -1.834 11.292 -10.929 1.00 0.00 O ATOM 983 CB ALA A 64 1.047 10.793 -12.087 1.00 0.00 C ATOM 0 H ALA A 64 1.103 8.333 -11.957 1.00 0.00 H new ATOM 0 HA ALA A 64 0.427 10.356 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.811 11.855 -12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.101 10.639 -11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.843 10.445 -13.099 1.00 0.00 H new ATOM 989 N GLU A 65 -1.941 9.346 -12.055 1.00 0.00 N ATOM 990 CA GLU A 65 -3.379 9.443 -12.285 1.00 0.00 C ATOM 991 C GLU A 65 -4.125 9.154 -10.988 1.00 0.00 C ATOM 992 O GLU A 65 -5.009 9.911 -10.580 1.00 0.00 O ATOM 993 CB GLU A 65 -3.826 8.473 -13.387 1.00 0.00 C ATOM 994 CG GLU A 65 -5.332 8.468 -13.625 1.00 0.00 C ATOM 995 CD GLU A 65 -5.749 7.596 -14.795 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.798 8.111 -15.932 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.056 6.404 -14.579 1.00 0.00 O ATOM 0 H GLU A 65 -1.499 8.526 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.612 10.455 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.321 8.736 -14.317 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.505 7.465 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.835 8.119 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.669 9.489 -13.803 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.740 8.065 -10.336 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.334 7.675 -9.068 1.00 0.00 C ATOM 1006 C LEU A 66 -3.988 8.705 -7.993 1.00 0.00 C ATOM 1007 O LEU A 66 -4.796 8.985 -7.113 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.848 6.271 -8.676 1.00 0.00 C ATOM 1009 CG LEU A 66 -4.565 5.614 -7.489 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -4.530 4.101 -7.627 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.924 6.021 -6.171 1.00 0.00 C ATOM 0 H LEU A 66 -3.013 7.432 -10.669 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.419 7.643 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.951 5.618 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.784 6.329 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.600 5.955 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.042 3.646 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.029 3.808 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.494 3.762 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.451 5.541 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.879 5.710 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.981 7.104 -6.058 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.790 9.266 -8.087 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.340 10.329 -7.185 1.00 0.00 C ATOM 1025 C ASP A 67 -3.286 11.517 -7.232 1.00 0.00 C ATOM 1026 O ASP A 67 -3.822 11.954 -6.212 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.936 10.783 -7.595 1.00 0.00 C ATOM 1028 CG ASP A 67 -0.461 12.014 -6.849 1.00 0.00 C ATOM 1029 OD1 ASP A 67 -0.134 11.902 -5.652 1.00 0.00 O ATOM 1030 OD2 ASP A 67 -0.379 13.097 -7.471 1.00 0.00 O ATOM 0 H ASP A 67 -2.099 9.000 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.325 9.937 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.233 9.968 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.927 10.989 -8.665 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.504 12.025 -8.431 1.00 0.00 N ATOM 1036 CA ALA A 68 -4.367 13.173 -8.629 1.00 0.00 C ATOM 1037 C ALA A 68 -5.807 12.862 -8.218 1.00 0.00 C ATOM 1038 O ALA A 68 -6.565 13.762 -7.859 1.00 0.00 O ATOM 1039 CB ALA A 68 -4.300 13.618 -10.078 1.00 0.00 C ATOM 0 H ALA A 68 -3.091 11.657 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.017 13.986 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.950 14.481 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.274 13.889 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.628 12.804 -10.724 1.00 0.00 H new ATOM 1045 N LEU A 69 -6.173 11.588 -8.271 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.521 11.159 -7.922 1.00 0.00 C ATOM 1047 C LEU A 69 -7.700 10.895 -6.423 1.00 0.00 C ATOM 1048 O LEU A 69 -8.564 11.493 -5.782 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.890 9.906 -8.712 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.352 10.162 -10.144 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.600 8.851 -10.871 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -9.609 11.016 -10.132 1.00 0.00 C ATOM 0 H LEU A 69 -5.552 10.830 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.188 11.981 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.025 9.243 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.681 9.378 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.567 10.697 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.929 9.056 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.678 8.269 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.371 8.285 -10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.936 11.197 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.397 10.497 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.397 11.968 -9.645 1.00 0.00 H new ATOM 1064 N ARG A 70 -6.875 10.012 -5.864 1.00 0.00 N ATOM 1065 CA ARG A 70 -7.112 9.485 -4.520 1.00 0.00 C ATOM 1066 C ARG A 70 -6.547 10.396 -3.441 1.00 0.00 C ATOM 1067 O ARG A 70 -6.585 10.044 -2.266 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.509 8.087 -4.356 1.00 0.00 C ATOM 1069 CG ARG A 70 -7.100 7.344 -3.173 1.00 0.00 C ATOM 1070 CD ARG A 70 -6.490 5.966 -2.979 1.00 0.00 C ATOM 1071 NE ARG A 70 -7.048 5.300 -1.801 1.00 0.00 N ATOM 1072 CZ ARG A 70 -6.354 4.508 -0.981 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -5.072 4.260 -1.221 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -6.946 3.972 0.082 1.00 0.00 N ATOM 0 H ARG A 70 -6.038 9.647 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.194 9.431 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.678 7.511 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.430 8.171 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.951 7.933 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.176 7.243 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.672 5.357 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.409 6.056 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.035 5.452 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.616 4.675 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.543 3.654 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.930 4.166 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.417 3.367 0.709 1.00 0.00 H new ATOM 1088 N THR A 71 -6.077 11.562 -3.863 1.00 0.00 N ATOM 1089 CA THR A 71 -5.370 12.527 -3.020 1.00 0.00 C ATOM 1090 C THR A 71 -3.860 12.404 -3.194 1.00 0.00 C ATOM 1091 O THR A 71 -3.268 11.327 -3.089 1.00 0.00 O ATOM 1092 CB THR A 71 -5.754 12.455 -1.520 1.00 0.00 C ATOM 1093 OG1 THR A 71 -5.825 13.782 -0.986 1.00 0.00 O ATOM 1094 CG2 THR A 71 -4.753 11.642 -0.707 1.00 0.00 C ATOM 0 H THR A 71 -6.178 11.875 -4.828 1.00 0.00 H new ATOM 0 HA THR A 71 -5.694 13.509 -3.366 1.00 0.00 H new ATOM 0 HB THR A 71 -6.721 11.957 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.553 13.771 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.065 11.620 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.711 10.624 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.767 12.100 -0.782 1.00 0.00 H new ATOM 1140 N GLU A 75 -6.004 14.224 1.687 1.00 0.00 N ATOM 1141 CA GLU A 75 -6.718 13.230 2.472 1.00 0.00 C ATOM 1142 C GLU A 75 -5.706 12.306 3.147 1.00 0.00 C ATOM 1143 O GLU A 75 -5.872 11.900 4.300 1.00 0.00 O ATOM 1144 CB GLU A 75 -7.647 12.420 1.559 1.00 0.00 C ATOM 1145 CG GLU A 75 -8.837 11.795 2.269 1.00 0.00 C ATOM 1146 CD GLU A 75 -9.919 12.807 2.584 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -10.643 13.218 1.653 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -10.056 13.195 3.759 1.00 0.00 O ATOM 0 HA GLU A 75 -7.320 13.724 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.014 13.071 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.068 11.629 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.254 11.004 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.500 11.328 3.194 1.00 0.00 H new ATOM 1155 N TYR A 76 -4.639 12.003 2.416 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.584 11.115 2.895 1.00 0.00 C ATOM 1157 C TYR A 76 -2.235 11.622 2.415 1.00 0.00 C ATOM 1158 O TYR A 76 -2.171 12.538 1.593 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.769 9.684 2.363 1.00 0.00 C ATOM 1160 CG TYR A 76 -5.156 9.115 2.536 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.635 8.763 3.791 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.987 8.932 1.438 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -6.903 8.244 3.947 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -7.257 8.414 1.584 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.709 8.073 2.842 1.00 0.00 C ATOM 1166 OH TYR A 76 -8.973 7.561 3.000 1.00 0.00 O ATOM 0 H TYR A 76 -4.480 12.365 1.476 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.634 11.102 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.517 9.671 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.058 9.030 2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.005 8.898 4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.633 9.200 0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.262 7.973 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.892 8.277 0.721 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.329 7.294 2.127 1.00 0.00 H new ATOM 1176 N ALA A 77 -1.169 11.034 2.932 1.00 0.00 N ATOM 1177 CA ALA A 77 0.165 11.269 2.401 1.00 0.00 C ATOM 1178 C ALA A 77 0.748 9.967 1.873 1.00 0.00 C ATOM 1179 O ALA A 77 0.396 8.886 2.352 1.00 0.00 O ATOM 1180 CB ALA A 77 1.075 11.857 3.462 1.00 0.00 C ATOM 0 H ALA A 77 -1.201 10.389 3.721 1.00 0.00 H new ATOM 0 HA ALA A 77 0.089 11.986 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.066 12.023 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.664 12.805 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.149 11.166 4.301 1.00 0.00 H new ATOM 1186 N ARG A 78 1.634 10.064 0.893 1.00 0.00 N ATOM 1187 CA ARG A 78 2.244 8.882 0.306 1.00 0.00 C ATOM 1188 C ARG A 78 3.509 8.487 1.055 1.00 0.00 C ATOM 1189 O ARG A 78 4.418 9.296 1.231 1.00 0.00 O ATOM 1190 CB ARG A 78 2.561 9.106 -1.176 1.00 0.00 C ATOM 1191 CG ARG A 78 1.371 8.887 -2.095 1.00 0.00 C ATOM 1192 CD ARG A 78 1.769 8.967 -3.563 1.00 0.00 C ATOM 1193 NE ARG A 78 1.614 10.313 -4.117 1.00 0.00 N ATOM 1194 CZ ARG A 78 2.613 11.168 -4.321 1.00 0.00 C ATOM 1195 NH1 ARG A 78 3.848 10.863 -3.937 1.00 0.00 N ATOM 1196 NH2 ARG A 78 2.363 12.328 -4.908 1.00 0.00 N ATOM 0 H ARG A 78 1.946 10.947 0.489 1.00 0.00 H new ATOM 0 HA ARG A 78 1.524 8.068 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.930 10.123 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.366 8.433 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.928 7.912 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.606 9.635 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.806 8.651 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.161 8.269 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 78 0.672 10.617 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.035 9.969 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.609 11.523 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.413 12.558 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.121 12.992 -5.070 1.00 0.00 H new ATOM 1210 N GLN A 79 3.551 7.241 1.503 1.00 0.00 N ATOM 1211 CA GLN A 79 4.737 6.702 2.147 1.00 0.00 C ATOM 1212 C GLN A 79 5.441 5.763 1.185 1.00 0.00 C ATOM 1213 O GLN A 79 4.850 4.790 0.720 1.00 0.00 O ATOM 1214 CB GLN A 79 4.386 5.936 3.424 1.00 0.00 C ATOM 1215 CG GLN A 79 5.608 5.596 4.269 1.00 0.00 C ATOM 1216 CD GLN A 79 5.313 4.631 5.400 1.00 0.00 C ATOM 1217 OE1 GLN A 79 6.180 3.870 5.821 1.00 0.00 O ATOM 1218 NE2 GLN A 79 4.090 4.648 5.899 1.00 0.00 N ATOM 0 H GLN A 79 2.774 6.583 1.432 1.00 0.00 H new ATOM 0 HA GLN A 79 5.385 7.536 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.694 6.531 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.867 5.015 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.376 5.166 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.019 6.516 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.395 5.294 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.840 4.015 6.659 1.00 0.00 H new ATOM 1227 N LEU A 80 6.687 6.051 0.881 1.00 0.00 N ATOM 1228 CA LEU A 80 7.443 5.216 -0.029 1.00 0.00 C ATOM 1229 C LEU A 80 8.206 4.148 0.744 1.00 0.00 C ATOM 1230 O LEU A 80 9.100 4.456 1.536 1.00 0.00 O ATOM 1231 CB LEU A 80 8.405 6.056 -0.866 1.00 0.00 C ATOM 1232 CG LEU A 80 9.139 5.280 -1.956 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.149 4.687 -2.948 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.135 6.179 -2.668 1.00 0.00 C ATOM 0 H LEU A 80 7.198 6.854 1.248 1.00 0.00 H new ATOM 0 HA LEU A 80 6.742 4.726 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.848 6.870 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.141 6.511 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 80 9.687 4.462 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.690 4.137 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.473 4.010 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.574 5.489 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.650 5.610 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.608 7.017 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.863 6.556 -1.950 1.00 0.00 H new ATOM 1246 N ILE A 81 7.836 2.898 0.523 1.00 0.00 N ATOM 1247 CA ILE A 81 8.481 1.783 1.195 1.00 0.00 C ATOM 1248 C ILE A 81 9.233 0.918 0.198 1.00 0.00 C ATOM 1249 O ILE A 81 8.834 0.789 -0.957 1.00 0.00 O ATOM 1250 CB ILE A 81 7.472 0.909 1.962 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.359 0.429 1.029 1.00 0.00 C ATOM 1252 CG2 ILE A 81 6.891 1.698 3.125 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.730 -0.883 1.447 1.00 0.00 C ATOM 0 H ILE A 81 7.090 2.629 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 81 9.180 2.211 1.913 1.00 0.00 H new ATOM 0 HB ILE A 81 7.988 0.032 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.583 1.193 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.763 0.322 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.177 1.077 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.694 1.998 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.385 2.586 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.950 -1.156 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.492 -1.662 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.294 -0.777 2.440 1.00 0.00 H new ATOM 1265 N GLN A 82 10.309 0.315 0.653 1.00 0.00 N ATOM 1266 CA GLN A 82 11.159 -0.476 -0.214 1.00 0.00 C ATOM 1267 C GLN A 82 10.707 -1.930 -0.231 1.00 0.00 C ATOM 1268 O GLN A 82 10.864 -2.649 0.758 1.00 0.00 O ATOM 1269 CB GLN A 82 12.610 -0.390 0.265 1.00 0.00 C ATOM 1270 CG GLN A 82 13.602 -1.139 -0.612 1.00 0.00 C ATOM 1271 CD GLN A 82 13.710 -0.554 -2.000 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.514 0.344 -2.246 1.00 0.00 O ATOM 1273 NE2 GLN A 82 12.910 -1.069 -2.920 1.00 0.00 N ATOM 0 H GLN A 82 10.619 0.357 1.624 1.00 0.00 H new ATOM 0 HA GLN A 82 11.086 -0.079 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.904 0.659 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.670 -0.784 1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.584 -1.123 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.300 -2.184 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.258 -1.813 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.945 -0.722 -3.878 1.00 0.00 H new ATOM 1282 N THR A 83 10.131 -2.366 -1.338 1.00 0.00 N ATOM 1283 CA THR A 83 9.757 -3.762 -1.468 1.00 0.00 C ATOM 1284 C THR A 83 10.816 -4.486 -2.292 1.00 0.00 C ATOM 1285 O THR A 83 11.623 -3.838 -2.962 1.00 0.00 O ATOM 1286 CB THR A 83 8.369 -3.927 -2.128 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.489 -3.964 -3.555 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.454 -2.778 -1.731 1.00 0.00 C ATOM 0 H THR A 83 9.915 -1.784 -2.147 1.00 0.00 H new ATOM 0 HA THR A 83 9.695 -4.195 -0.470 1.00 0.00 H new ATOM 0 HB THR A 83 7.941 -4.868 -1.781 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.130 -3.282 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.480 -2.908 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.333 -2.767 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.892 -1.835 -2.057 1.00 0.00 H new ATOM 1296 N PRO A 84 10.847 -5.830 -2.249 1.00 0.00 N ATOM 1297 CA PRO A 84 11.779 -6.625 -3.063 1.00 0.00 C ATOM 1298 C PRO A 84 11.555 -6.417 -4.559 1.00 0.00 C ATOM 1299 O PRO A 84 12.413 -6.746 -5.380 1.00 0.00 O ATOM 1300 CB PRO A 84 11.458 -8.075 -2.676 1.00 0.00 C ATOM 1301 CG PRO A 84 10.106 -8.026 -2.049 1.00 0.00 C ATOM 1302 CD PRO A 84 10.006 -6.680 -1.393 1.00 0.00 C ATOM 0 HA PRO A 84 12.816 -6.344 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.462 -8.725 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.199 -8.470 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.324 -8.155 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.985 -8.826 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.976 -6.324 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.370 -6.704 -0.366 1.00 0.00 H new ATOM 1310 N TYR A 85 10.399 -5.854 -4.901 1.00 0.00 N ATOM 1311 CA TYR A 85 10.035 -5.614 -6.289 1.00 0.00 C ATOM 1312 C TYR A 85 10.340 -4.167 -6.663 1.00 0.00 C ATOM 1313 O TYR A 85 10.161 -3.754 -7.810 1.00 0.00 O ATOM 1314 CB TYR A 85 8.543 -5.888 -6.497 1.00 0.00 C ATOM 1315 CG TYR A 85 8.036 -7.130 -5.792 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.219 -8.392 -6.340 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.373 -7.034 -4.573 1.00 0.00 C ATOM 1318 CE1 TYR A 85 7.756 -9.523 -5.696 1.00 0.00 C ATOM 1319 CE2 TYR A 85 6.908 -8.161 -3.924 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.101 -9.402 -4.488 1.00 0.00 C ATOM 1321 OH TYR A 85 6.633 -10.527 -3.843 1.00 0.00 O ATOM 0 H TYR A 85 9.695 -5.554 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 85 10.616 -6.284 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.974 -5.027 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.348 -5.985 -7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.732 -8.491 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.219 -6.063 -4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.906 -10.498 -6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.395 -8.069 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 85 5.951 -10.269 -3.188 1.00 0.00 H new ATOM 1331 N GLY A 86 10.807 -3.408 -5.685 1.00 0.00 N ATOM 1332 CA GLY A 86 11.041 -1.993 -5.875 1.00 0.00 C ATOM 1333 C GLY A 86 10.256 -1.168 -4.878 1.00 0.00 C ATOM 1334 O GLY A 86 9.297 -1.656 -4.288 1.00 0.00 O ATOM 0 H GLY A 86 11.031 -3.752 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.105 -1.780 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.759 -1.708 -6.889 1.00 0.00 H new ATOM 1338 N SER A 87 10.666 0.067 -4.669 1.00 0.00 N ATOM 1339 CA SER A 87 9.982 0.943 -3.735 1.00 0.00 C ATOM 1340 C SER A 87 8.553 1.230 -4.197 1.00 0.00 C ATOM 1341 O SER A 87 8.330 1.755 -5.288 1.00 0.00 O ATOM 1342 CB SER A 87 10.763 2.240 -3.584 1.00 0.00 C ATOM 1343 OG SER A 87 12.043 2.011 -3.021 1.00 0.00 O ATOM 0 H SER A 87 11.470 0.488 -5.133 1.00 0.00 H new ATOM 0 HA SER A 87 9.925 0.444 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.872 2.716 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.205 2.931 -2.953 1.00 0.00 H new ATOM 0 HG SER A 87 12.521 2.862 -2.938 1.00 0.00 H new ATOM 1349 N ALA A 88 7.591 0.883 -3.355 1.00 0.00 N ATOM 1350 CA ALA A 88 6.185 1.028 -3.694 1.00 0.00 C ATOM 1351 C ALA A 88 5.549 2.140 -2.879 1.00 0.00 C ATOM 1352 O ALA A 88 5.950 2.401 -1.742 1.00 0.00 O ATOM 1353 CB ALA A 88 5.448 -0.282 -3.469 1.00 0.00 C ATOM 0 H ALA A 88 7.761 0.497 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 88 6.112 1.292 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.396 -0.157 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.886 -1.058 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.532 -0.572 -2.422 1.00 0.00 H new ATOM 1359 N TRP A 89 4.566 2.798 -3.468 1.00 0.00 N ATOM 1360 CA TRP A 89 3.884 3.899 -2.812 1.00 0.00 C ATOM 1361 C TRP A 89 2.751 3.394 -1.921 1.00 0.00 C ATOM 1362 O TRP A 89 1.872 2.657 -2.371 1.00 0.00 O ATOM 1363 CB TRP A 89 3.322 4.871 -3.850 1.00 0.00 C ATOM 1364 CG TRP A 89 4.369 5.533 -4.677 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.720 5.216 -5.950 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.194 6.634 -4.289 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.714 6.051 -6.382 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.026 6.932 -5.379 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.309 7.397 -3.124 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 6.962 7.960 -5.343 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.238 8.418 -3.086 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.054 8.692 -4.190 1.00 0.00 C ATOM 0 H TRP A 89 4.221 2.587 -4.404 1.00 0.00 H new ATOM 0 HA TRP A 89 4.613 4.416 -2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.639 4.333 -4.507 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.737 5.636 -3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.280 4.422 -6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.153 6.023 -7.302 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.682 7.192 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.593 8.173 -6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.337 9.014 -2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.771 9.498 -4.131 1.00 0.00 H new ATOM 1383 N MET A 90 2.798 3.767 -0.654 1.00 0.00 N ATOM 1384 CA MET A 90 1.705 3.503 0.271 1.00 0.00 C ATOM 1385 C MET A 90 0.952 4.794 0.572 1.00 0.00 C ATOM 1386 O MET A 90 1.399 5.880 0.207 1.00 0.00 O ATOM 1387 CB MET A 90 2.227 2.910 1.580 1.00 0.00 C ATOM 1388 CG MET A 90 2.789 1.506 1.457 1.00 0.00 C ATOM 1389 SD MET A 90 3.265 0.815 3.056 1.00 0.00 S ATOM 1390 CE MET A 90 1.692 0.811 3.910 1.00 0.00 C ATOM 0 H MET A 90 3.589 4.258 -0.237 1.00 0.00 H new ATOM 0 HA MET A 90 1.033 2.784 -0.199 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.003 3.565 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.416 2.900 2.308 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.046 0.859 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.657 1.521 0.797 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.590 -0.113 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.644 1.663 4.588 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.883 0.880 3.183 1.00 0.00 H new ATOM 1400 N TYR A 91 -0.186 4.679 1.240 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.968 5.849 1.618 1.00 0.00 C ATOM 1402 C TYR A 91 -1.279 5.821 3.107 1.00 0.00 C ATOM 1403 O TYR A 91 -1.946 4.909 3.596 1.00 0.00 O ATOM 1404 CB TYR A 91 -2.262 5.930 0.801 1.00 0.00 C ATOM 1405 CG TYR A 91 -2.039 6.334 -0.641 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -1.661 5.399 -1.597 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -2.193 7.654 -1.041 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -1.441 5.769 -2.909 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.979 8.032 -2.351 1.00 0.00 C ATOM 1410 CZ TYR A 91 -1.600 7.087 -3.281 1.00 0.00 C ATOM 1411 OH TYR A 91 -1.371 7.462 -4.585 1.00 0.00 O ATOM 0 H TYR A 91 -0.589 3.789 1.532 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.375 6.738 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.760 4.961 0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.935 6.647 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.537 4.366 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.485 8.398 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.146 5.030 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.108 9.063 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.528 8.425 -4.681 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.784 6.819 3.823 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.963 6.884 5.262 1.00 0.00 C ATOM 1423 C VAL A 92 -2.053 7.857 5.632 1.00 0.00 C ATOM 1424 O VAL A 92 -2.163 8.951 5.072 1.00 0.00 O ATOM 1425 CB VAL A 92 0.355 7.253 5.988 1.00 0.00 C ATOM 1426 CG1 VAL A 92 0.102 7.858 7.365 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.221 6.020 6.130 1.00 0.00 C ATOM 0 H VAL A 92 -0.254 7.596 3.428 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.261 5.888 5.591 1.00 0.00 H new ATOM 0 HB VAL A 92 0.864 8.004 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.054 8.101 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.493 8.765 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.437 7.141 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.147 6.283 6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.688 5.266 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.452 5.622 5.142 1.00 0.00 H new ATOM 1437 N TYR A 93 -2.864 7.415 6.572 1.00 0.00 N ATOM 1438 CA TYR A 93 -3.919 8.213 7.135 1.00 0.00 C ATOM 1439 C TYR A 93 -3.358 9.560 7.597 1.00 0.00 C ATOM 1440 O TYR A 93 -2.424 9.623 8.397 1.00 0.00 O ATOM 1441 CB TYR A 93 -4.560 7.408 8.276 1.00 0.00 C ATOM 1442 CG TYR A 93 -4.319 7.942 9.680 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -5.069 8.989 10.199 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -3.337 7.383 10.488 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -4.843 9.466 11.476 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -3.106 7.852 11.765 1.00 0.00 C ATOM 1447 CZ TYR A 93 -3.864 8.891 12.255 1.00 0.00 C ATOM 1448 OH TYR A 93 -3.633 9.362 13.527 1.00 0.00 O ATOM 0 H TYR A 93 -2.803 6.477 6.968 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.690 8.438 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.635 7.363 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.187 6.385 8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.843 9.438 9.594 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.742 6.565 10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.431 10.286 11.861 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.335 7.406 12.376 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.910 8.846 13.941 1.00 0.00 H new ATOM 1458 N GLN A 94 -3.884 10.638 7.041 1.00 0.00 N ATOM 1459 CA GLN A 94 -3.377 11.957 7.363 1.00 0.00 C ATOM 1460 C GLN A 94 -4.461 12.808 8.016 1.00 0.00 C ATOM 1461 O GLN A 94 -4.238 13.971 8.350 1.00 0.00 O ATOM 1462 CB GLN A 94 -2.841 12.632 6.098 1.00 0.00 C ATOM 1463 CG GLN A 94 -1.622 13.499 6.355 1.00 0.00 C ATOM 1464 CD GLN A 94 -0.330 12.701 6.499 1.00 0.00 C ATOM 1465 OE1 GLN A 94 0.756 13.233 6.275 1.00 0.00 O ATOM 1466 NE2 GLN A 94 -0.430 11.412 6.816 1.00 0.00 N ATOM 0 H GLN A 94 -4.654 10.625 6.372 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.560 11.855 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.587 11.866 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.629 13.244 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.512 14.210 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.784 14.081 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.346 11.001 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.409 10.836 6.879 1.00 0.00 H new ATOM 1475 N ARG A 95 -5.634 12.216 8.201 1.00 0.00 N ATOM 1476 CA ARG A 95 -6.752 12.898 8.839 1.00 0.00 C ATOM 1477 C ARG A 95 -7.358 11.990 9.909 1.00 0.00 C ATOM 1478 O ARG A 95 -7.358 10.772 9.748 1.00 0.00 O ATOM 1479 CB ARG A 95 -7.810 13.298 7.801 1.00 0.00 C ATOM 1480 CG ARG A 95 -7.247 14.129 6.657 1.00 0.00 C ATOM 1481 CD ARG A 95 -8.339 14.633 5.731 1.00 0.00 C ATOM 1482 NE ARG A 95 -9.115 15.724 6.324 1.00 0.00 N ATOM 1483 CZ ARG A 95 -10.364 16.023 5.972 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -10.999 15.287 5.069 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -10.984 17.057 6.526 1.00 0.00 N ATOM 0 H ARG A 95 -5.836 11.258 7.916 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.390 13.811 9.311 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.269 12.397 7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.600 13.863 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.695 14.977 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.537 13.529 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.891 14.975 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.008 13.810 5.481 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.673 16.288 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.531 14.488 4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.956 15.520 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.504 17.625 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.941 17.283 6.254 1.00 0.00 H new ATOM 1499 N PRO A 96 -7.867 12.580 11.009 1.00 0.00 N ATOM 1500 CA PRO A 96 -8.380 11.856 12.183 1.00 0.00 C ATOM 1501 C PRO A 96 -9.169 10.587 11.854 1.00 0.00 C ATOM 1502 O PRO A 96 -10.177 10.626 11.149 1.00 0.00 O ATOM 1503 CB PRO A 96 -9.300 12.878 12.871 1.00 0.00 C ATOM 1504 CG PRO A 96 -9.237 14.122 12.041 1.00 0.00 C ATOM 1505 CD PRO A 96 -7.993 14.022 11.208 1.00 0.00 C ATOM 0 HA PRO A 96 -7.551 11.501 12.795 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.321 12.503 12.933 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.970 13.074 13.891 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.120 14.210 11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.208 15.009 12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.092 14.556 10.263 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.126 14.439 11.720 1.00 0.00 H new ATOM 1513 N VAL A 97 -8.698 9.466 12.386 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.371 8.182 12.216 1.00 0.00 C ATOM 1515 C VAL A 97 -10.102 7.780 13.490 1.00 0.00 C ATOM 1516 O VAL A 97 -10.498 6.625 13.650 1.00 0.00 O ATOM 1517 CB VAL A 97 -8.373 7.066 11.844 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.871 7.243 10.423 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -7.212 7.038 12.830 1.00 0.00 C ATOM 0 H VAL A 97 -7.845 9.420 12.944 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.087 8.305 11.404 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.892 6.109 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.169 6.445 10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.713 7.205 9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.370 8.207 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.518 6.245 12.552 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.694 7.997 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.592 6.852 13.835 1.00 0.00 H new ATOM 1529 N ASP A 98 -10.269 8.738 14.396 1.00 0.00 N ATOM 1530 CA ASP A 98 -10.953 8.495 15.660 1.00 0.00 C ATOM 1531 C ASP A 98 -12.390 8.045 15.426 1.00 0.00 C ATOM 1532 O ASP A 98 -13.285 8.866 15.216 1.00 0.00 O ATOM 1533 CB ASP A 98 -10.936 9.752 16.533 1.00 0.00 C ATOM 1534 CG ASP A 98 -9.564 10.057 17.105 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -8.739 10.676 16.396 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -9.310 9.694 18.274 1.00 0.00 O ATOM 0 H ASP A 98 -9.938 9.695 14.276 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.420 7.698 16.178 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.275 10.603 15.942 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.646 9.629 17.351 1.00 0.00 H new ATOM 1541 N GLY A 99 -12.602 6.737 15.449 1.00 0.00 N ATOM 1542 CA GLY A 99 -13.925 6.195 15.223 1.00 0.00 C ATOM 1543 C GLY A 99 -13.925 5.090 14.186 1.00 0.00 C ATOM 1544 O GLY A 99 -14.929 4.405 13.999 1.00 0.00 O ATOM 0 H GLY A 99 -11.878 6.040 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.322 5.809 16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.592 6.994 14.899 1.00 0.00 H new ATOM 1548 N LEU A 100 -12.799 4.921 13.505 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.665 3.870 12.507 1.00 0.00 C ATOM 1550 C LEU A 100 -12.146 2.594 13.150 1.00 0.00 C ATOM 1551 O LEU A 100 -11.652 2.614 14.279 1.00 0.00 O ATOM 1552 CB LEU A 100 -11.713 4.306 11.391 1.00 0.00 C ATOM 1553 CG LEU A 100 -12.135 5.560 10.626 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -11.112 5.902 9.556 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -13.506 5.360 10.008 1.00 0.00 C ATOM 0 H LEU A 100 -11.967 5.498 13.626 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.649 3.681 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.727 4.479 11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.611 3.485 10.682 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.187 6.394 11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.430 6.798 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.144 6.082 10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.028 5.072 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.796 6.260 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.475 4.516 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.234 5.160 10.794 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.255 1.491 12.428 1.00 0.00 N ATOM 1568 CA LYS A 101 -11.768 0.216 12.923 1.00 0.00 C ATOM 1569 C LYS A 101 -10.320 0.002 12.513 1.00 0.00 C ATOM 1570 O LYS A 101 -9.953 0.199 11.354 1.00 0.00 O ATOM 1571 CB LYS A 101 -12.638 -0.937 12.418 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.027 -0.969 13.037 1.00 0.00 C ATOM 1573 CD LYS A 101 -13.963 -1.070 14.556 1.00 0.00 C ATOM 1574 CE LYS A 101 -13.221 -2.321 15.010 1.00 0.00 C ATOM 1575 NZ LYS A 101 -13.128 -2.402 16.491 1.00 0.00 N ATOM 0 H LYS A 101 -12.675 1.453 11.499 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.824 0.235 14.011 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.734 -0.861 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.134 -1.880 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.572 -0.069 12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.584 -1.817 12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.466 -0.187 14.958 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.974 -1.080 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.733 -3.205 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.218 -2.324 14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.617 -3.267 16.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.618 -1.571 16.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.085 -2.425 16.898 1.00 0.00 H new ATOM 1589 N LEU A 102 -9.506 -0.396 13.473 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.094 -0.628 13.237 1.00 0.00 C ATOM 1591 C LEU A 102 -7.799 -2.123 13.211 1.00 0.00 C ATOM 1592 O LEU A 102 -7.832 -2.791 14.248 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.271 0.060 14.329 1.00 0.00 C ATOM 1594 CG LEU A 102 -5.756 -0.114 14.221 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.245 0.485 12.926 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.061 0.530 15.409 1.00 0.00 C ATOM 0 H LEU A 102 -9.803 -0.567 14.434 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.821 -0.209 12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.499 1.126 14.314 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.595 -0.321 15.298 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.531 -1.181 14.223 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.165 0.353 12.865 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.720 -0.015 12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.482 1.549 12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.983 0.397 15.316 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.294 1.594 15.434 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.406 0.061 16.331 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.524 -2.648 12.027 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.188 -4.048 11.883 1.00 0.00 C ATOM 1610 C ILE A 103 -5.720 -4.244 12.208 1.00 0.00 C ATOM 1611 O ILE A 103 -4.852 -4.132 11.339 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.477 -4.587 10.464 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -8.940 -4.352 10.083 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.145 -6.071 10.381 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.297 -4.873 8.704 1.00 0.00 C ATOM 0 H ILE A 103 -7.528 -2.121 11.153 1.00 0.00 H new ATOM 0 HA ILE A 103 -7.816 -4.608 12.575 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.845 -4.046 9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.581 -4.833 10.822 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.151 -3.283 10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.354 -6.435 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.090 -6.221 10.609 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.753 -6.621 11.099 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.349 -4.672 8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.681 -4.374 7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.118 -5.947 8.663 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.453 -4.481 13.477 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.106 -4.757 13.948 1.00 0.00 C ATOM 1629 C GLU A 104 -3.619 -6.093 13.396 1.00 0.00 C ATOM 1630 O GLU A 104 -2.452 -6.449 13.527 1.00 0.00 O ATOM 1631 CB GLU A 104 -4.083 -4.752 15.473 1.00 0.00 C ATOM 1632 CG GLU A 104 -4.521 -3.423 16.070 1.00 0.00 C ATOM 1633 CD GLU A 104 -4.677 -3.480 17.571 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -3.679 -3.748 18.269 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -5.802 -3.256 18.063 1.00 0.00 O ATOM 0 H GLU A 104 -6.161 -4.488 14.211 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.431 -3.979 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.735 -5.543 15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.075 -4.984 15.816 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.790 -2.656 15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.468 -3.123 15.622 1.00 0.00 H new ATOM 1642 N SER A 105 -4.536 -6.830 12.783 1.00 0.00 N ATOM 1643 CA SER A 105 -4.196 -8.084 12.135 1.00 0.00 C ATOM 1644 C SER A 105 -3.383 -7.816 10.873 1.00 0.00 C ATOM 1645 O SER A 105 -2.593 -8.650 10.440 1.00 0.00 O ATOM 1646 CB SER A 105 -5.468 -8.852 11.781 1.00 0.00 C ATOM 1647 OG SER A 105 -6.356 -8.910 12.888 1.00 0.00 O ATOM 0 H SER A 105 -5.522 -6.578 12.722 1.00 0.00 H new ATOM 0 HA SER A 105 -3.599 -8.685 12.821 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.964 -8.371 10.938 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.210 -9.863 11.465 1.00 0.00 H new ATOM 0 HG SER A 105 -7.163 -9.405 12.635 1.00 0.00 H new ATOM 1653 N GLY A 106 -3.596 -6.638 10.287 1.00 0.00 N ATOM 1654 CA GLY A 106 -2.860 -6.243 9.103 1.00 0.00 C ATOM 1655 C GLY A 106 -3.485 -6.748 7.815 1.00 0.00 C ATOM 1656 O GLY A 106 -3.128 -6.304 6.728 1.00 0.00 O ATOM 0 H GLY A 106 -4.271 -5.948 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.798 -5.155 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.839 -6.618 9.176 1.00 0.00 H new ATOM 1660 N ASP A 107 -4.416 -7.676 7.928 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.040 -8.264 6.751 1.00 0.00 C ATOM 1662 C ASP A 107 -6.400 -7.630 6.505 1.00 0.00 C ATOM 1663 O ASP A 107 -7.136 -7.355 7.449 1.00 0.00 O ATOM 1664 CB ASP A 107 -5.213 -9.770 6.934 1.00 0.00 C ATOM 1665 CG ASP A 107 -5.291 -10.518 5.622 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -6.234 -10.277 4.849 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -4.412 -11.369 5.375 1.00 0.00 O ATOM 0 H ASP A 107 -4.758 -8.040 8.817 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.392 -8.079 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -4.379 -10.158 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.120 -9.959 7.509 1.00 0.00 H new ATOM 1672 N TRP A 108 -6.730 -7.408 5.240 1.00 0.00 N ATOM 1673 CA TRP A 108 -8.027 -6.857 4.873 1.00 0.00 C ATOM 1674 C TRP A 108 -9.125 -7.882 5.125 1.00 0.00 C ATOM 1675 O TRP A 108 -10.261 -7.535 5.443 1.00 0.00 O ATOM 1676 CB TRP A 108 -8.029 -6.431 3.401 1.00 0.00 C ATOM 1677 CG TRP A 108 -9.353 -5.907 2.924 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -10.201 -6.510 2.038 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -9.984 -4.680 3.313 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -11.315 -5.726 1.845 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -11.206 -4.602 2.621 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -9.634 -3.641 4.181 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -12.078 -3.522 2.767 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -10.500 -2.574 4.327 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -11.710 -2.523 3.625 1.00 0.00 C ATOM 0 H TRP A 108 -6.116 -7.602 4.449 1.00 0.00 H new ATOM 0 HA TRP A 108 -8.218 -5.979 5.490 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -7.270 -5.663 3.254 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -7.743 -7.284 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -10.023 -7.462 1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -12.095 -5.946 1.225 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.703 -3.672 4.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -13.009 -3.477 2.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.239 -1.766 4.994 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -12.367 -1.677 3.764 1.00 0.00 H new ATOM 1696 N LEU A 109 -8.775 -9.152 4.988 1.00 0.00 N ATOM 1697 CA LEU A 109 -9.730 -10.223 5.187 1.00 0.00 C ATOM 1698 C LEU A 109 -9.880 -10.516 6.674 1.00 0.00 C ATOM 1699 O LEU A 109 -10.976 -10.824 7.138 1.00 0.00 O ATOM 1700 CB LEU A 109 -9.311 -11.485 4.419 1.00 0.00 C ATOM 1701 CG LEU A 109 -9.344 -11.377 2.882 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -10.655 -10.764 2.410 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -8.158 -10.582 2.354 1.00 0.00 C ATOM 0 H LEU A 109 -7.836 -9.463 4.740 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.696 -9.905 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.300 -11.754 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.963 -12.304 4.721 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.272 -12.387 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.655 -10.698 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.487 -11.389 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.763 -9.766 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.213 -10.526 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.180 -9.575 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -7.231 -11.075 2.645 1.00 0.00 H new