USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 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 71 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.404 F(o=-1.1,f=-0.4) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= -1.03 X(o=-1,f=-1.4!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 44:sc= 1.09 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 49:sc= 0.307 USER MOD Single : A 28 THR OG1 : rot -74:sc= -4.45! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -168:sc= -17.2! (180deg=-18.3!) USER MOD Single : A 35 SER OG : rot -179:sc= -10.4! USER MOD Single : A 39 GLN : amide:sc= -7.48! C(o=-7.5!,f=-8.6!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.031 (180deg=0.0109) USER MOD Single : A 49 SER OG : rot -39:sc= 0.609 USER MOD Single : A 52 SER OG : rot -177:sc= -4.01! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 37:sc= 0.128 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0368 F(o=-0.9,f=-0.037) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -151:sc= 0.175 (180deg=-0.638) USER MOD Single : A 78 THR OG1 : rot -86:sc= -1.16 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -119:sc= -24.7! (180deg=-29.7!) USER MOD Single : A 84 ASN : amide:sc= -3.84! C(o=-3.8!,f=-13!) USER MOD Single : A 85 SER OG : rot -84:sc= 1.08 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -15:sc= -0.432 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.0093 (180deg=-0.259) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -1.96! USER MOD Single : A 109 GLN : amide:sc= -0.624 K(o=-0.62,f=-5.8!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.450 10.963 -13.595 1.00 0.00 N ATOM 11 CA VAL A 2 -11.502 9.862 -13.263 1.00 0.00 C ATOM 12 C VAL A 2 -12.301 8.590 -12.928 1.00 0.00 C ATOM 13 O VAL A 2 -13.455 8.656 -12.552 1.00 0.00 O ATOM 14 CB VAL A 2 -10.638 10.292 -12.070 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.936 9.076 -11.477 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.583 11.290 -12.545 1.00 0.00 C ATOM 0 HA VAL A 2 -10.851 9.651 -14.112 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.274 10.752 -11.314 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.324 9.386 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.680 8.354 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.301 8.617 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.967 11.598 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.953 10.821 -13.301 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.075 12.164 -12.973 1.00 0.00 H new ATOM 17 N GLN A 3 -11.703 7.433 -13.070 1.00 0.00 N ATOM 18 CA GLN A 3 -12.437 6.161 -12.769 1.00 0.00 C ATOM 19 C GLN A 3 -11.418 5.031 -12.797 1.00 0.00 C ATOM 20 O GLN A 3 -10.686 4.882 -13.755 1.00 0.00 O ATOM 21 CB GLN A 3 -13.516 5.919 -13.830 1.00 0.00 C ATOM 22 CG GLN A 3 -14.181 4.565 -13.580 1.00 0.00 C ATOM 23 CD GLN A 3 -15.270 4.331 -14.628 1.00 0.00 C ATOM 24 OE1 GLN A 3 -16.445 4.382 -14.323 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.928 4.075 -15.863 1.00 0.00 N ATOM 0 H GLN A 3 -10.739 7.313 -13.381 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.923 6.216 -11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.261 6.714 -13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.073 5.941 -14.826 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.438 3.769 -13.628 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.613 4.539 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.942 4.032 -16.121 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.647 3.918 -16.569 1.00 0.00 H new ATOM 26 N LEU A 4 -11.297 4.271 -11.742 1.00 0.00 N ATOM 27 CA LEU A 4 -10.241 3.224 -11.752 1.00 0.00 C ATOM 28 C LEU A 4 -10.504 2.075 -10.780 1.00 0.00 C ATOM 29 O LEU A 4 -11.564 1.948 -10.201 1.00 0.00 O ATOM 30 CB LEU A 4 -8.918 3.867 -11.383 1.00 0.00 C ATOM 31 CG LEU A 4 -9.102 5.131 -10.555 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.449 6.318 -11.443 1.00 0.00 C ATOM 33 CD2 LEU A 4 -10.153 4.952 -9.452 1.00 0.00 C ATOM 0 H LEU A 4 -11.866 4.327 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.230 2.798 -12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.313 3.153 -10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.367 4.108 -12.292 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.150 5.332 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.575 7.208 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.645 6.484 -12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.376 6.113 -11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.250 5.880 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.113 4.699 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.844 4.150 -8.782 1.00 0.00 H new ATOM 34 N VAL A 5 -9.504 1.232 -10.608 1.00 0.00 N ATOM 35 CA VAL A 5 -9.627 0.058 -9.681 1.00 0.00 C ATOM 36 C VAL A 5 -8.350 -0.799 -9.766 1.00 0.00 C ATOM 37 O VAL A 5 -7.958 -1.233 -10.828 1.00 0.00 O ATOM 38 CB VAL A 5 -10.839 -0.813 -10.055 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.978 -0.552 -9.068 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.314 -0.491 -11.475 1.00 0.00 C ATOM 0 H VAL A 5 -8.601 1.311 -11.076 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.764 0.435 -8.667 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.543 -1.861 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.837 -1.169 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.649 -0.801 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.260 0.500 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.172 -1.116 -11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.602 0.559 -11.533 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.507 -0.686 -12.182 1.00 0.00 H new ATOM 41 N GLU A 6 -7.705 -1.041 -8.650 1.00 0.00 N ATOM 42 CA GLU A 6 -6.446 -1.865 -8.643 1.00 0.00 C ATOM 43 C GLU A 6 -6.571 -3.068 -9.588 1.00 0.00 C ATOM 44 O GLU A 6 -7.646 -3.384 -10.059 1.00 0.00 O ATOM 45 CB GLU A 6 -6.194 -2.363 -7.218 1.00 0.00 C ATOM 46 CG GLU A 6 -7.530 -2.715 -6.553 1.00 0.00 C ATOM 47 CD GLU A 6 -8.379 -3.557 -7.508 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.100 -4.737 -7.632 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.293 -3.006 -8.098 1.00 0.00 O ATOM 0 H GLU A 6 -7.997 -0.701 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.616 -1.247 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.544 -3.238 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.679 -1.596 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.353 -3.265 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.064 -1.804 -6.284 1.00 0.00 H new ATOM 50 N SER A 7 -5.482 -3.755 -9.871 1.00 0.00 N ATOM 51 CA SER A 7 -5.579 -4.930 -10.784 1.00 0.00 C ATOM 52 C SER A 7 -4.196 -5.556 -10.975 1.00 0.00 C ATOM 53 O SER A 7 -3.190 -4.875 -10.982 1.00 0.00 O ATOM 54 CB SER A 7 -6.124 -4.474 -12.138 1.00 0.00 C ATOM 55 OG SER A 7 -7.537 -4.628 -12.152 1.00 0.00 O ATOM 0 H SER A 7 -4.549 -3.552 -9.513 1.00 0.00 H new ATOM 0 HA SER A 7 -6.249 -5.671 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.858 -3.432 -12.318 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.675 -5.060 -12.940 1.00 0.00 H new ATOM 0 HG SER A 7 -7.909 -4.310 -11.303 1.00 0.00 H new ATOM 56 N GLY A 8 -4.139 -6.852 -11.129 1.00 0.00 N ATOM 57 CA GLY A 8 -2.824 -7.527 -11.320 1.00 0.00 C ATOM 58 C GLY A 8 -2.946 -8.994 -10.908 1.00 0.00 C ATOM 59 O GLY A 8 -3.732 -9.740 -11.456 1.00 0.00 O ATOM 0 H GLY A 8 -4.948 -7.473 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.513 -7.454 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.058 -7.032 -10.723 1.00 0.00 H new ATOM 60 N GLY A 9 -2.178 -9.414 -9.939 1.00 0.00 N ATOM 61 CA GLY A 9 -2.260 -10.834 -9.486 1.00 0.00 C ATOM 62 C GLY A 9 -0.955 -11.569 -9.805 1.00 0.00 C ATOM 63 O GLY A 9 -0.963 -12.703 -10.243 1.00 0.00 O ATOM 0 H GLY A 9 -1.499 -8.838 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.453 -10.870 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.096 -11.332 -9.978 1.00 0.00 H new ATOM 64 N GLY A 10 0.167 -10.940 -9.583 1.00 0.00 N ATOM 65 CA GLY A 10 1.469 -11.613 -9.866 1.00 0.00 C ATOM 66 C GLY A 10 1.948 -12.329 -8.597 1.00 0.00 C ATOM 67 O GLY A 10 1.349 -12.209 -7.548 1.00 0.00 O ATOM 0 H GLY A 10 0.239 -9.990 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.354 -12.328 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.209 -10.880 -10.187 1.00 0.00 H new ATOM 68 N LEU A 11 3.029 -13.062 -8.672 1.00 0.00 N ATOM 69 CA LEU A 11 3.536 -13.757 -7.449 1.00 0.00 C ATOM 70 C LEU A 11 4.805 -13.051 -6.971 1.00 0.00 C ATOM 71 O LEU A 11 5.435 -12.329 -7.716 1.00 0.00 O ATOM 72 CB LEU A 11 3.854 -15.223 -7.756 1.00 0.00 C ATOM 73 CG LEU A 11 2.624 -15.902 -8.362 1.00 0.00 C ATOM 74 CD1 LEU A 11 2.912 -16.273 -9.818 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.300 -17.169 -7.566 1.00 0.00 C ATOM 0 H LEU A 11 3.579 -13.209 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 11 2.770 -13.723 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.694 -15.286 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.154 -15.739 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 11 1.774 -15.220 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.036 -16.757 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.145 -15.371 -10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.761 -16.956 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.424 -17.655 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.149 -17.851 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.096 -16.905 -6.528 1.00 0.00 H new ATOM 76 N VAL A 12 5.181 -13.240 -5.735 1.00 0.00 N ATOM 77 CA VAL A 12 6.408 -12.552 -5.222 1.00 0.00 C ATOM 78 C VAL A 12 7.284 -13.503 -4.402 1.00 0.00 C ATOM 79 O VAL A 12 7.690 -13.172 -3.310 1.00 0.00 O ATOM 80 CB VAL A 12 6.037 -11.356 -4.323 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.223 -10.054 -5.102 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.583 -11.460 -3.819 1.00 0.00 C ATOM 0 H VAL A 12 4.699 -13.835 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 12 6.959 -12.208 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 12 6.695 -11.366 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.961 -9.209 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.263 -9.963 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.578 -10.061 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.354 -10.601 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.903 -11.476 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.463 -12.377 -3.241 1.00 0.00 H new ATOM 83 N GLN A 13 7.608 -14.662 -4.912 1.00 0.00 N ATOM 84 CA GLN A 13 8.489 -15.580 -4.125 1.00 0.00 C ATOM 85 C GLN A 13 9.648 -14.748 -3.566 1.00 0.00 C ATOM 86 O GLN A 13 9.849 -13.629 -3.993 1.00 0.00 O ATOM 87 CB GLN A 13 9.036 -16.688 -5.035 1.00 0.00 C ATOM 88 CG GLN A 13 9.128 -16.184 -6.478 1.00 0.00 C ATOM 89 CD GLN A 13 10.234 -16.944 -7.213 1.00 0.00 C ATOM 90 OE1 GLN A 13 9.991 -17.985 -7.792 1.00 0.00 O ATOM 91 NE2 GLN A 13 11.448 -16.467 -7.213 1.00 0.00 N ATOM 0 H GLN A 13 7.308 -15.010 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 13 7.927 -16.046 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.020 -17.002 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.387 -17.562 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.174 -16.327 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.338 -15.114 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.653 -15.594 -6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.193 -16.967 -7.699 1.00 0.00 H new ATOM 92 N PRO A 14 10.384 -15.294 -2.636 1.00 0.00 N ATOM 93 CA PRO A 14 11.516 -14.570 -2.039 1.00 0.00 C ATOM 94 C PRO A 14 12.586 -14.339 -3.100 1.00 0.00 C ATOM 95 O PRO A 14 13.249 -15.251 -3.551 1.00 0.00 O ATOM 96 CB PRO A 14 11.982 -15.485 -0.900 1.00 0.00 C ATOM 97 CG PRO A 14 11.440 -16.892 -1.237 1.00 0.00 C ATOM 98 CD PRO A 14 10.193 -16.665 -2.116 1.00 0.00 C ATOM 0 HA PRO A 14 11.267 -13.579 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.069 -15.493 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.599 -15.139 0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.188 -17.483 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.184 -17.440 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.132 -17.396 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.273 -16.751 -1.538 1.00 0.00 H new ATOM 99 N GLY A 15 12.715 -13.115 -3.534 1.00 0.00 N ATOM 100 CA GLY A 15 13.690 -12.797 -4.607 1.00 0.00 C ATOM 101 C GLY A 15 12.954 -12.954 -5.933 1.00 0.00 C ATOM 102 O GLY A 15 13.527 -13.295 -6.949 1.00 0.00 O ATOM 0 H GLY A 15 12.181 -12.318 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.071 -11.782 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.549 -13.467 -4.560 1.00 0.00 H new ATOM 103 N GLY A 16 11.664 -12.728 -5.911 1.00 0.00 N ATOM 104 CA GLY A 16 10.846 -12.881 -7.145 1.00 0.00 C ATOM 105 C GLY A 16 10.541 -11.511 -7.756 1.00 0.00 C ATOM 106 O GLY A 16 11.432 -10.794 -8.168 1.00 0.00 O ATOM 0 H GLY A 16 11.142 -12.442 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.379 -13.498 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.915 -13.397 -6.910 1.00 0.00 H new ATOM 107 N SER A 17 9.287 -11.141 -7.825 1.00 0.00 N ATOM 108 CA SER A 17 8.933 -9.821 -8.417 1.00 0.00 C ATOM 109 C SER A 17 7.432 -9.794 -8.703 1.00 0.00 C ATOM 110 O SER A 17 6.857 -10.769 -9.146 1.00 0.00 O ATOM 111 CB SER A 17 9.721 -9.612 -9.714 1.00 0.00 C ATOM 112 OG SER A 17 8.831 -9.246 -10.761 1.00 0.00 O ATOM 0 H SER A 17 8.497 -11.696 -7.497 1.00 0.00 H new ATOM 0 HA SER A 17 9.185 -9.020 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.472 -8.835 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.253 -10.525 -9.979 1.00 0.00 H new ATOM 0 HG SER A 17 9.338 -9.111 -11.589 1.00 0.00 H new ATOM 113 N LEU A 18 6.788 -8.695 -8.434 1.00 0.00 N ATOM 114 CA LEU A 18 5.329 -8.617 -8.665 1.00 0.00 C ATOM 115 C LEU A 18 5.019 -7.751 -9.867 1.00 0.00 C ATOM 116 O LEU A 18 5.809 -6.927 -10.271 1.00 0.00 O ATOM 117 CB LEU A 18 4.679 -7.972 -7.460 1.00 0.00 C ATOM 118 CG LEU A 18 3.585 -8.861 -6.910 1.00 0.00 C ATOM 119 CD1 LEU A 18 4.037 -10.324 -6.888 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.257 -8.407 -5.489 1.00 0.00 C ATOM 0 H LEU A 18 7.215 -7.846 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 18 4.953 -9.626 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.428 -7.788 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.264 -7.003 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 18 2.704 -8.784 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.236 -10.946 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.276 -10.646 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.921 -10.422 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.469 -9.038 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.148 -8.487 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.919 -7.371 -5.507 1.00 0.00 H new ATOM 121 N ARG A 19 3.849 -7.921 -10.413 1.00 0.00 N ATOM 122 CA ARG A 19 3.443 -7.105 -11.578 1.00 0.00 C ATOM 123 C ARG A 19 1.941 -6.809 -11.495 1.00 0.00 C ATOM 124 O ARG A 19 1.133 -7.462 -12.125 1.00 0.00 O ATOM 125 CB ARG A 19 3.743 -7.880 -12.858 1.00 0.00 C ATOM 126 CG ARG A 19 3.203 -7.105 -14.061 1.00 0.00 C ATOM 127 CD ARG A 19 3.173 -8.021 -15.286 1.00 0.00 C ATOM 128 NE ARG A 19 2.084 -7.581 -16.205 1.00 0.00 N ATOM 129 CZ ARG A 19 0.902 -8.127 -16.123 1.00 0.00 C ATOM 130 NH1 ARG A 19 0.632 -9.205 -16.805 1.00 0.00 N ATOM 131 NH2 ARG A 19 -0.012 -7.592 -15.359 1.00 0.00 N ATOM 0 H ARG A 19 3.154 -8.597 -10.096 1.00 0.00 H new ATOM 0 HA ARG A 19 3.995 -6.165 -11.581 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.818 -8.031 -12.961 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.285 -8.868 -12.813 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.201 -6.733 -13.847 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.830 -6.236 -14.259 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.133 -7.990 -15.801 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.009 -9.054 -14.978 1.00 0.00 H new ATOM 0 HE ARG A 19 2.263 -6.854 -16.897 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.345 -9.622 -17.403 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.292 -9.631 -16.740 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.198 -6.748 -14.827 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.936 -8.018 -15.294 1.00 0.00 H new ATOM 132 N LEU A 20 1.562 -5.825 -10.724 1.00 0.00 N ATOM 133 CA LEU A 20 0.104 -5.484 -10.605 1.00 0.00 C ATOM 134 C LEU A 20 -0.125 -4.086 -11.173 1.00 0.00 C ATOM 135 O LEU A 20 0.531 -3.682 -12.113 1.00 0.00 O ATOM 136 CB LEU A 20 -0.325 -5.524 -9.139 1.00 0.00 C ATOM 137 CG LEU A 20 0.490 -6.567 -8.387 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.870 -6.001 -8.060 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.238 -6.918 -7.092 1.00 0.00 C ATOM 0 H LEU A 20 2.191 -5.242 -10.172 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.488 -6.210 -11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.185 -4.544 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.387 -5.760 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 20 0.607 -7.460 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.452 -6.749 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.384 -5.738 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.761 -5.111 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.336 -7.665 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.346 -6.022 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.224 -7.318 -7.326 1.00 0.00 H new ATOM 140 N SER A 21 -1.050 -3.340 -10.630 1.00 0.00 N ATOM 141 CA SER A 21 -1.290 -1.984 -11.185 1.00 0.00 C ATOM 142 C SER A 21 -2.465 -1.282 -10.490 1.00 0.00 C ATOM 143 O SER A 21 -2.955 -1.702 -9.461 1.00 0.00 O ATOM 144 CB SER A 21 -1.607 -2.127 -12.673 1.00 0.00 C ATOM 145 OG SER A 21 -2.021 -3.461 -12.939 1.00 0.00 O ATOM 0 H SER A 21 -1.638 -3.607 -9.841 1.00 0.00 H new ATOM 0 HA SER A 21 -0.398 -1.379 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.392 -1.427 -12.958 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.728 -1.881 -13.269 1.00 0.00 H new ATOM 0 HG SER A 21 -2.703 -3.728 -12.287 1.00 0.00 H new ATOM 146 N CYS A 22 -2.903 -0.208 -11.084 1.00 0.00 N ATOM 147 CA CYS A 22 -4.037 0.597 -10.559 1.00 0.00 C ATOM 148 C CYS A 22 -4.872 0.975 -11.785 1.00 0.00 C ATOM 149 O CYS A 22 -4.531 1.895 -12.515 1.00 0.00 O ATOM 150 CB CYS A 22 -3.470 1.864 -9.891 1.00 0.00 C ATOM 151 SG CYS A 22 -4.407 2.375 -8.419 1.00 0.00 S ATOM 0 H CYS A 22 -2.503 0.158 -11.948 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.635 0.058 -9.824 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.432 1.686 -9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.469 2.679 -10.614 1.00 0.00 H new ATOM 152 N ALA A 23 -5.923 0.241 -12.052 1.00 0.00 N ATOM 153 CA ALA A 23 -6.758 0.527 -13.258 1.00 0.00 C ATOM 154 C ALA A 23 -7.073 2.017 -13.302 1.00 0.00 C ATOM 155 O ALA A 23 -6.946 2.692 -12.313 1.00 0.00 O ATOM 156 CB ALA A 23 -8.059 -0.271 -13.196 1.00 0.00 C ATOM 0 H ALA A 23 -6.239 -0.546 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.210 0.238 -14.155 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.660 -0.056 -14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.831 -1.336 -13.163 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.615 0.009 -12.301 1.00 0.00 H new ATOM 157 N ALA A 24 -7.483 2.524 -14.441 1.00 0.00 N ATOM 158 CA ALA A 24 -7.802 3.984 -14.557 1.00 0.00 C ATOM 159 C ALA A 24 -8.030 4.338 -16.032 1.00 0.00 C ATOM 160 O ALA A 24 -7.290 3.919 -16.910 1.00 0.00 O ATOM 161 CB ALA A 24 -6.636 4.814 -13.999 1.00 0.00 C ATOM 0 H ALA A 24 -7.611 1.987 -15.299 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.704 4.206 -13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.871 5.875 -14.085 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.478 4.561 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.730 4.596 -14.565 1.00 0.00 H new ATOM 162 N SER A 25 -9.054 5.105 -16.321 1.00 0.00 N ATOM 163 CA SER A 25 -9.321 5.464 -17.746 1.00 0.00 C ATOM 164 C SER A 25 -9.795 6.915 -17.849 1.00 0.00 C ATOM 165 O SER A 25 -9.206 7.716 -18.548 1.00 0.00 O ATOM 166 CB SER A 25 -10.402 4.536 -18.310 1.00 0.00 C ATOM 167 OG SER A 25 -10.770 4.966 -19.618 1.00 0.00 O ATOM 0 H SER A 25 -9.708 5.493 -15.641 1.00 0.00 H new ATOM 0 HA SER A 25 -8.400 5.351 -18.317 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.033 3.511 -18.344 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.275 4.539 -17.657 1.00 0.00 H new ATOM 0 HG SER A 25 -11.460 4.370 -19.976 1.00 0.00 H new ATOM 168 N GLY A 26 -10.856 7.257 -17.166 1.00 0.00 N ATOM 169 CA GLY A 26 -11.370 8.656 -17.228 1.00 0.00 C ATOM 170 C GLY A 26 -10.194 9.630 -17.191 1.00 0.00 C ATOM 171 O GLY A 26 -10.258 10.722 -17.719 1.00 0.00 O ATOM 0 H GLY A 26 -11.389 6.626 -16.567 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.949 8.802 -18.140 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.041 8.846 -16.390 1.00 0.00 H new ATOM 172 N PHE A 27 -9.117 9.237 -16.575 1.00 0.00 N ATOM 173 CA PHE A 27 -7.931 10.128 -16.503 1.00 0.00 C ATOM 174 C PHE A 27 -6.675 9.300 -16.789 1.00 0.00 C ATOM 175 O PHE A 27 -6.752 8.150 -17.176 1.00 0.00 O ATOM 176 CB PHE A 27 -7.856 10.749 -15.096 1.00 0.00 C ATOM 177 CG PHE A 27 -6.987 9.900 -14.189 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.476 8.695 -13.661 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.682 10.309 -13.898 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.655 7.907 -12.843 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.866 9.526 -13.090 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.348 8.319 -12.559 1.00 0.00 C ATOM 0 H PHE A 27 -9.007 8.333 -16.116 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.007 10.928 -17.239 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.450 11.759 -15.158 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.858 10.834 -14.675 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.483 8.376 -13.885 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.306 11.237 -14.303 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.031 6.982 -12.432 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.859 9.847 -12.870 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.712 7.710 -11.933 1.00 0.00 H new ATOM 183 N THR A 28 -5.520 9.864 -16.574 1.00 0.00 N ATOM 184 CA THR A 28 -4.271 9.092 -16.805 1.00 0.00 C ATOM 185 C THR A 28 -3.837 8.474 -15.470 1.00 0.00 C ATOM 186 O THR A 28 -4.555 7.684 -14.895 1.00 0.00 O ATOM 187 CB THR A 28 -3.178 10.016 -17.349 1.00 0.00 C ATOM 188 OG1 THR A 28 -2.966 11.079 -16.433 1.00 0.00 O ATOM 189 CG2 THR A 28 -3.613 10.585 -18.701 1.00 0.00 C ATOM 0 H THR A 28 -5.388 10.822 -16.250 1.00 0.00 H new ATOM 0 HA THR A 28 -4.442 8.304 -17.539 1.00 0.00 H new ATOM 0 HB THR A 28 -2.254 9.453 -17.477 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.715 11.709 -16.485 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.834 11.242 -19.087 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.779 9.768 -19.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.537 11.150 -18.578 1.00 0.00 H new ATOM 190 N PHE A 29 -2.675 8.815 -14.969 1.00 0.00 N ATOM 191 CA PHE A 29 -2.201 8.239 -13.669 1.00 0.00 C ATOM 192 C PHE A 29 -1.046 9.096 -13.181 1.00 0.00 C ATOM 193 O PHE A 29 -1.021 9.570 -12.063 1.00 0.00 O ATOM 194 CB PHE A 29 -1.687 6.816 -13.877 1.00 0.00 C ATOM 195 CG PHE A 29 -2.425 6.197 -15.022 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.036 6.484 -16.335 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.513 5.355 -14.778 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.736 5.922 -17.398 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.207 4.799 -15.839 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.819 5.083 -17.147 1.00 0.00 C ATOM 0 H PHE A 29 -2.029 9.472 -15.407 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.022 8.221 -12.952 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.616 6.828 -14.081 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.833 6.226 -12.972 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.197 7.138 -16.522 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.812 5.138 -13.763 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.440 6.136 -18.415 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.047 4.147 -15.653 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.363 4.649 -17.973 1.00 0.00 H new ATOM 201 N SER A 30 -0.098 9.307 -14.046 1.00 0.00 N ATOM 202 CA SER A 30 1.075 10.146 -13.699 1.00 0.00 C ATOM 203 C SER A 30 0.704 11.594 -13.982 1.00 0.00 C ATOM 204 O SER A 30 1.124 12.505 -13.297 1.00 0.00 O ATOM 205 CB SER A 30 2.273 9.738 -14.560 1.00 0.00 C ATOM 206 OG SER A 30 2.951 10.905 -15.010 1.00 0.00 O ATOM 0 H SER A 30 -0.087 8.927 -14.993 1.00 0.00 H new ATOM 0 HA SER A 30 1.344 10.018 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.952 9.109 -13.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.938 9.147 -15.413 1.00 0.00 H new ATOM 0 HG SER A 30 3.719 10.645 -15.560 1.00 0.00 H new ATOM 207 N SER A 31 -0.110 11.811 -14.982 1.00 0.00 N ATOM 208 CA SER A 31 -0.533 13.199 -15.291 1.00 0.00 C ATOM 209 C SER A 31 -1.185 13.781 -14.039 1.00 0.00 C ATOM 210 O SER A 31 -0.858 14.868 -13.605 1.00 0.00 O ATOM 211 CB SER A 31 -1.531 13.196 -16.448 1.00 0.00 C ATOM 212 OG SER A 31 -1.320 14.347 -17.254 1.00 0.00 O ATOM 0 H SER A 31 -0.495 11.089 -15.591 1.00 0.00 H new ATOM 0 HA SER A 31 0.327 13.801 -15.584 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.410 12.292 -17.045 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.551 13.189 -16.063 1.00 0.00 H new ATOM 0 HG SER A 31 -1.958 14.347 -17.998 1.00 0.00 H new ATOM 213 N TYR A 32 -2.091 13.054 -13.434 1.00 0.00 N ATOM 214 CA TYR A 32 -2.732 13.569 -12.194 1.00 0.00 C ATOM 215 C TYR A 32 -2.141 12.847 -10.982 1.00 0.00 C ATOM 216 O TYR A 32 -2.633 12.961 -9.877 1.00 0.00 O ATOM 217 CB TYR A 32 -4.240 13.338 -12.257 1.00 0.00 C ATOM 218 CG TYR A 32 -4.771 13.912 -13.545 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.495 13.271 -14.755 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.531 15.087 -13.531 1.00 0.00 C ATOM 221 CE1 TYR A 32 -4.981 13.801 -15.957 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.018 15.620 -14.730 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.744 14.977 -15.944 1.00 0.00 C ATOM 224 OH TYR A 32 -6.225 15.503 -17.126 1.00 0.00 O ATOM 0 H TYR A 32 -2.409 12.136 -13.744 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.544 14.639 -12.103 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.460 12.272 -12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.729 13.810 -11.405 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.906 12.366 -14.764 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.742 15.583 -12.595 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.768 13.305 -16.892 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.605 16.527 -14.719 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.734 16.319 -16.938 1.00 0.00 H new ATOM 225 N ALA A 33 -1.076 12.118 -11.178 1.00 0.00 N ATOM 226 CA ALA A 33 -0.439 11.405 -10.038 1.00 0.00 C ATOM 227 C ALA A 33 -1.401 10.359 -9.469 1.00 0.00 C ATOM 228 O ALA A 33 -2.603 10.488 -9.587 1.00 0.00 O ATOM 229 CB ALA A 33 -0.090 12.425 -8.958 1.00 0.00 C ATOM 0 H ALA A 33 -0.620 11.986 -12.081 1.00 0.00 H new ATOM 0 HA ALA A 33 0.464 10.899 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.378 11.917 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.600 13.164 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.999 12.924 -8.621 1.00 0.00 H new ATOM 230 N MET A 34 -0.888 9.318 -8.861 1.00 0.00 N ATOM 231 CA MET A 34 -1.782 8.273 -8.305 1.00 0.00 C ATOM 232 C MET A 34 -1.035 7.455 -7.238 1.00 0.00 C ATOM 233 O MET A 34 0.122 7.120 -7.397 1.00 0.00 O ATOM 234 CB MET A 34 -2.205 7.366 -9.453 1.00 0.00 C ATOM 235 CG MET A 34 -3.547 6.722 -9.135 1.00 0.00 C ATOM 236 SD MET A 34 -3.286 5.289 -8.065 1.00 0.00 S ATOM 237 CE MET A 34 -2.154 4.393 -9.152 1.00 0.00 C ATOM 0 H MET A 34 0.110 9.153 -8.729 1.00 0.00 H new ATOM 0 HA MET A 34 -2.655 8.728 -7.837 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.277 7.942 -10.376 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.451 6.596 -9.616 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.201 7.442 -8.644 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.044 6.417 -10.056 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.027 3.375 -8.785 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.564 4.366 -10.162 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.188 4.897 -9.166 1.00 0.00 H new ATOM 238 N SER A 35 -1.698 7.115 -6.159 1.00 0.00 N ATOM 239 CA SER A 35 -1.043 6.299 -5.089 1.00 0.00 C ATOM 240 C SER A 35 -1.774 4.982 -5.010 1.00 0.00 C ATOM 241 O SER A 35 -2.918 4.910 -5.395 1.00 0.00 O ATOM 242 CB SER A 35 -1.181 6.989 -3.736 1.00 0.00 C ATOM 243 OG SER A 35 0.070 7.501 -3.304 1.00 0.00 O ATOM 0 H SER A 35 -2.668 7.369 -5.973 1.00 0.00 H new ATOM 0 HA SER A 35 0.014 6.169 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.906 7.800 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.564 6.283 -3.000 1.00 0.00 H new ATOM 0 HG SER A 35 -0.036 7.927 -2.428 1.00 0.00 H new ATOM 244 N TRP A 36 -1.189 3.923 -4.518 1.00 0.00 N ATOM 245 CA TRP A 36 -2.018 2.709 -4.502 1.00 0.00 C ATOM 246 C TRP A 36 -1.358 1.504 -3.822 1.00 0.00 C ATOM 247 O TRP A 36 -0.133 1.398 -3.663 1.00 0.00 O ATOM 248 CB TRP A 36 -2.411 2.397 -5.948 1.00 0.00 C ATOM 249 CG TRP A 36 -1.409 1.531 -6.591 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.257 1.945 -7.158 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.467 0.098 -6.745 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.389 0.846 -7.673 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.322 -0.332 -7.435 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.408 -0.858 -6.346 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.131 -1.695 -7.724 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.220 -2.205 -6.621 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.090 -2.628 -7.307 1.00 0.00 C ATOM 0 H TRP A 36 -0.239 3.852 -4.152 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.899 2.905 -3.891 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.385 1.908 -5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.509 3.325 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.097 2.964 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.280 0.886 -8.169 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.294 -0.542 -5.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.747 -2.020 -8.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.956 -2.927 -6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.950 -3.677 -7.520 1.00 0.00 H new ATOM 258 N VAL A 37 -2.249 0.627 -3.408 1.00 0.00 N ATOM 259 CA VAL A 37 -1.937 -0.637 -2.686 1.00 0.00 C ATOM 260 C VAL A 37 -2.507 -0.468 -1.261 1.00 0.00 C ATOM 261 O VAL A 37 -3.417 0.311 -1.094 1.00 0.00 O ATOM 262 CB VAL A 37 -0.422 -0.930 -2.710 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.132 -2.247 -2.017 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.053 -1.056 -4.150 1.00 0.00 C ATOM 0 H VAL A 37 -3.249 0.758 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.392 -1.505 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 37 0.091 -0.113 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.940 -2.442 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.469 -2.195 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.659 -3.052 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.123 -1.263 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.480 -1.871 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.143 -0.124 -4.681 1.00 0.00 H new ATOM 265 N ARG A 38 -2.008 -1.163 -0.255 1.00 0.00 N ATOM 266 CA ARG A 38 -2.514 -1.004 1.150 1.00 0.00 C ATOM 267 C ARG A 38 -3.430 -2.148 1.619 1.00 0.00 C ATOM 268 O ARG A 38 -4.609 -1.950 1.826 1.00 0.00 O ATOM 269 CB ARG A 38 -3.254 0.334 1.360 1.00 0.00 C ATOM 270 CG ARG A 38 -2.380 1.537 0.965 1.00 0.00 C ATOM 271 CD ARG A 38 -0.926 1.276 1.334 1.00 0.00 C ATOM 272 NE ARG A 38 -0.802 1.177 2.816 1.00 0.00 N ATOM 273 CZ ARG A 38 0.265 1.630 3.417 1.00 0.00 C ATOM 274 NH1 ARG A 38 0.758 2.792 3.087 1.00 0.00 N ATOM 275 NH2 ARG A 38 0.837 0.921 4.353 1.00 0.00 N ATOM 0 H ARG A 38 -1.257 -1.846 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.609 -1.026 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.170 0.340 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.549 0.426 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.463 1.720 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.735 2.435 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.580 0.354 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.294 2.080 0.958 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.553 0.754 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.310 3.348 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.592 3.145 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.450 0.014 4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.671 1.274 4.823 1.00 0.00 H new ATOM 276 N GLN A 39 -2.882 -3.316 1.881 1.00 0.00 N ATOM 277 CA GLN A 39 -3.706 -4.432 2.435 1.00 0.00 C ATOM 278 C GLN A 39 -2.866 -5.713 2.495 1.00 0.00 C ATOM 279 O GLN A 39 -1.755 -5.757 2.006 1.00 0.00 O ATOM 280 CB GLN A 39 -4.952 -4.657 1.589 1.00 0.00 C ATOM 281 CG GLN A 39 -6.092 -5.119 2.503 1.00 0.00 C ATOM 282 CD GLN A 39 -7.011 -3.936 2.809 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.697 -2.808 2.487 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.144 -4.147 3.423 1.00 0.00 N ATOM 0 H GLN A 39 -1.898 -3.540 1.733 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.025 -4.164 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.230 -3.737 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.757 -5.406 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.657 -5.917 2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.687 -5.528 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.409 -5.094 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.764 -3.365 3.632 1.00 0.00 H new ATOM 285 N ALA A 40 -3.378 -6.751 3.113 1.00 0.00 N ATOM 286 CA ALA A 40 -2.602 -8.021 3.221 1.00 0.00 C ATOM 287 C ALA A 40 -3.416 -9.049 4.033 1.00 0.00 C ATOM 288 O ALA A 40 -4.463 -8.726 4.560 1.00 0.00 O ATOM 289 CB ALA A 40 -1.274 -7.728 3.926 1.00 0.00 C ATOM 0 H ALA A 40 -4.301 -6.771 3.547 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.406 -8.429 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.697 -8.649 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.708 -6.997 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.471 -7.329 4.921 1.00 0.00 H new ATOM 290 N PRO A 41 -2.911 -10.259 4.100 1.00 0.00 N ATOM 291 CA PRO A 41 -3.566 -11.371 4.831 1.00 0.00 C ATOM 292 C PRO A 41 -3.394 -11.192 6.340 1.00 0.00 C ATOM 293 O PRO A 41 -2.453 -11.692 6.923 1.00 0.00 O ATOM 294 CB PRO A 41 -2.794 -12.609 4.361 1.00 0.00 C ATOM 295 CG PRO A 41 -1.421 -12.093 3.877 1.00 0.00 C ATOM 296 CD PRO A 41 -1.634 -10.632 3.459 1.00 0.00 C ATOM 0 HA PRO A 41 -4.638 -11.431 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.677 -13.328 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.325 -13.119 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.676 -12.166 4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.055 -12.688 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.816 -9.996 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.687 -10.531 2.375 1.00 0.00 H new ATOM 297 N GLY A 42 -4.274 -10.466 6.979 1.00 0.00 N ATOM 298 CA GLY A 42 -4.117 -10.248 8.447 1.00 0.00 C ATOM 299 C GLY A 42 -2.667 -9.883 8.719 1.00 0.00 C ATOM 300 O GLY A 42 -2.158 -10.035 9.812 1.00 0.00 O ATOM 0 H GLY A 42 -5.086 -10.019 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.780 -9.452 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.392 -11.148 8.997 1.00 0.00 H new ATOM 301 N LYS A 43 -2.011 -9.371 7.721 1.00 0.00 N ATOM 302 CA LYS A 43 -0.607 -8.947 7.876 1.00 0.00 C ATOM 303 C LYS A 43 -0.628 -7.422 7.902 1.00 0.00 C ATOM 304 O LYS A 43 0.344 -6.761 7.605 1.00 0.00 O ATOM 305 CB LYS A 43 0.208 -9.465 6.680 1.00 0.00 C ATOM 306 CG LYS A 43 1.583 -8.783 6.628 1.00 0.00 C ATOM 307 CD LYS A 43 2.186 -8.696 8.036 1.00 0.00 C ATOM 308 CE LYS A 43 3.365 -7.723 8.025 1.00 0.00 C ATOM 309 NZ LYS A 43 3.133 -6.650 9.033 1.00 0.00 N ATOM 0 H LYS A 43 -2.400 -9.228 6.789 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.150 -9.340 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.334 -10.545 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.334 -9.274 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.250 -9.343 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.485 -7.784 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.431 -8.361 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.517 -9.682 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.290 -8.254 8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.481 -7.286 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.800 -5.869 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.158 -6.297 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.279 -7.034 9.989 1.00 0.00 H new ATOM 310 N GLU A 44 -1.763 -6.867 8.248 1.00 0.00 N ATOM 311 CA GLU A 44 -1.902 -5.394 8.284 1.00 0.00 C ATOM 312 C GLU A 44 -1.732 -4.867 6.857 1.00 0.00 C ATOM 313 O GLU A 44 -1.337 -5.597 5.970 1.00 0.00 O ATOM 314 CB GLU A 44 -0.860 -4.822 9.257 1.00 0.00 C ATOM 315 CG GLU A 44 0.257 -4.075 8.516 1.00 0.00 C ATOM 316 CD GLU A 44 1.182 -3.403 9.532 1.00 0.00 C ATOM 317 OE1 GLU A 44 1.030 -3.675 10.712 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.027 -2.628 9.115 1.00 0.00 O ATOM 0 H GLU A 44 -2.603 -7.384 8.508 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.883 -5.084 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.349 -4.144 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.428 -5.632 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.824 -4.769 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.172 -3.328 7.848 1.00 0.00 H new ATOM 319 N ARG A 45 -2.050 -3.628 6.612 1.00 0.00 N ATOM 320 CA ARG A 45 -1.918 -3.108 5.223 1.00 0.00 C ATOM 321 C ARG A 45 -0.530 -3.397 4.683 1.00 0.00 C ATOM 322 O ARG A 45 0.269 -4.087 5.284 1.00 0.00 O ATOM 323 CB ARG A 45 -2.115 -1.598 5.180 1.00 0.00 C ATOM 324 CG ARG A 45 -3.526 -1.276 4.693 1.00 0.00 C ATOM 325 CD ARG A 45 -4.002 0.027 5.325 1.00 0.00 C ATOM 326 NE ARG A 45 -4.837 -0.280 6.523 1.00 0.00 N ATOM 327 CZ ARG A 45 -5.782 0.543 6.889 1.00 0.00 C ATOM 328 NH1 ARG A 45 -5.865 1.726 6.348 1.00 0.00 N ATOM 329 NH2 ARG A 45 -6.646 0.179 7.799 1.00 0.00 N ATOM 0 H ARG A 45 -2.391 -2.960 7.303 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.681 -3.602 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.956 -1.173 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.379 -1.144 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.535 -1.189 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.205 -2.088 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.147 0.639 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.580 0.604 4.603 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.669 -1.133 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.191 2.010 5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.604 2.367 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.581 -0.747 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.385 0.821 8.086 1.00 0.00 H new ATOM 330 N GLU A 46 -0.244 -2.850 3.545 1.00 0.00 N ATOM 331 CA GLU A 46 1.077 -3.051 2.927 1.00 0.00 C ATOM 332 C GLU A 46 1.053 -2.379 1.567 1.00 0.00 C ATOM 333 O GLU A 46 0.608 -2.950 0.594 1.00 0.00 O ATOM 334 CB GLU A 46 1.340 -4.543 2.770 1.00 0.00 C ATOM 335 CG GLU A 46 2.639 -4.756 1.987 1.00 0.00 C ATOM 336 CD GLU A 46 3.203 -6.144 2.296 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.555 -6.878 3.023 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.276 -6.449 1.800 1.00 0.00 O ATOM 0 H GLU A 46 -0.883 -2.262 3.010 1.00 0.00 H new ATOM 0 HA GLU A 46 1.867 -2.624 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.413 -5.015 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.508 -5.016 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.451 -4.659 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.366 -3.989 2.254 1.00 0.00 H new ATOM 339 N ILE A 47 1.504 -1.161 1.500 1.00 0.00 N ATOM 340 CA ILE A 47 1.495 -0.433 0.206 1.00 0.00 C ATOM 341 C ILE A 47 2.551 -1.020 -0.708 1.00 0.00 C ATOM 342 O ILE A 47 3.336 -1.861 -0.318 1.00 0.00 O ATOM 343 CB ILE A 47 1.841 1.045 0.443 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.319 1.876 -0.746 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.361 1.206 0.589 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.476 2.343 -1.668 1.00 0.00 C ATOM 0 H ILE A 47 1.880 -0.636 2.290 1.00 0.00 H new ATOM 0 HA ILE A 47 0.506 -0.523 -0.244 1.00 0.00 H new ATOM 0 HB ILE A 47 1.370 1.397 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.611 1.282 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.777 2.745 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.601 2.256 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.710 0.614 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.852 0.862 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.070 2.926 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.171 2.959 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.002 1.473 -2.061 1.00 0.00 H new ATOM 347 N VAL A 48 2.618 -0.532 -1.902 1.00 0.00 N ATOM 348 CA VAL A 48 3.670 -0.993 -2.809 1.00 0.00 C ATOM 349 C VAL A 48 4.208 0.210 -3.570 1.00 0.00 C ATOM 350 O VAL A 48 5.390 0.299 -3.818 1.00 0.00 O ATOM 351 CB VAL A 48 3.165 -2.051 -3.769 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.330 -2.464 -4.663 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.687 -3.269 -2.973 1.00 0.00 C ATOM 0 H VAL A 48 1.984 0.169 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 48 4.465 -1.456 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 48 2.339 -1.664 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.996 -3.227 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.692 -1.596 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.136 -2.865 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.323 -4.033 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.516 -3.671 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.882 -2.972 -2.301 1.00 0.00 H new ATOM 354 N SER A 49 3.395 1.177 -3.929 1.00 0.00 N ATOM 355 CA SER A 49 4.024 2.326 -4.636 1.00 0.00 C ATOM 356 C SER A 49 3.032 3.420 -5.024 1.00 0.00 C ATOM 357 O SER A 49 1.831 3.223 -5.087 1.00 0.00 O ATOM 358 CB SER A 49 4.728 1.815 -5.890 1.00 0.00 C ATOM 359 OG SER A 49 6.133 1.959 -5.730 1.00 0.00 O ATOM 0 H SER A 49 2.388 1.220 -3.774 1.00 0.00 H new ATOM 0 HA SER A 49 4.731 2.778 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.475 0.769 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.391 2.373 -6.764 1.00 0.00 H new ATOM 0 HG SER A 49 6.325 2.806 -5.276 1.00 0.00 H new ATOM 360 N ALA A 50 3.565 4.586 -5.294 1.00 0.00 N ATOM 361 CA ALA A 50 2.713 5.743 -5.702 1.00 0.00 C ATOM 362 C ALA A 50 3.580 6.845 -6.316 1.00 0.00 C ATOM 363 O ALA A 50 4.791 6.758 -6.350 1.00 0.00 O ATOM 364 CB ALA A 50 1.995 6.314 -4.483 1.00 0.00 C ATOM 0 H ALA A 50 4.564 4.786 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 50 1.985 5.394 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.375 7.157 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.366 5.544 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.730 6.649 -3.752 1.00 0.00 H new ATOM 365 N VAL A 51 2.958 7.896 -6.783 1.00 0.00 N ATOM 366 CA VAL A 51 3.720 9.029 -7.371 1.00 0.00 C ATOM 367 C VAL A 51 2.805 10.261 -7.383 1.00 0.00 C ATOM 368 O VAL A 51 1.922 10.399 -8.205 1.00 0.00 O ATOM 369 CB VAL A 51 4.205 8.672 -8.787 1.00 0.00 C ATOM 370 CG1 VAL A 51 3.101 8.905 -9.820 1.00 0.00 C ATOM 371 CG2 VAL A 51 5.414 9.540 -9.138 1.00 0.00 C ATOM 0 H VAL A 51 1.945 8.016 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 51 4.607 9.243 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 51 4.478 7.617 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.470 8.645 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.240 8.282 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.805 9.954 -9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.762 9.291 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.129 10.592 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.214 9.357 -8.421 1.00 0.00 H new ATOM 372 N SER A 52 2.979 11.142 -6.440 1.00 0.00 N ATOM 373 CA SER A 52 2.091 12.337 -6.374 1.00 0.00 C ATOM 374 C SER A 52 2.904 13.635 -6.434 1.00 0.00 C ATOM 375 O SER A 52 4.116 13.625 -6.509 1.00 0.00 O ATOM 376 CB SER A 52 1.302 12.301 -5.068 1.00 0.00 C ATOM 377 OG SER A 52 1.819 11.269 -4.235 1.00 0.00 O ATOM 0 H SER A 52 3.694 11.088 -5.714 1.00 0.00 H new ATOM 0 HA SER A 52 1.416 12.313 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.372 13.263 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.246 12.125 -5.272 1.00 0.00 H new ATOM 0 HG SER A 52 1.285 11.212 -3.415 1.00 0.00 H new ATOM 378 N GLY A 53 2.227 14.756 -6.394 1.00 0.00 N ATOM 379 CA GLY A 53 2.925 16.075 -6.439 1.00 0.00 C ATOM 380 C GLY A 53 3.864 16.132 -7.644 1.00 0.00 C ATOM 381 O GLY A 53 5.066 16.028 -7.507 1.00 0.00 O ATOM 0 H GLY A 53 1.210 14.812 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.193 16.880 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.491 16.227 -5.520 1.00 0.00 H new ATOM 382 N SER A 54 3.329 16.290 -8.824 1.00 0.00 N ATOM 383 CA SER A 54 4.202 16.341 -10.032 1.00 0.00 C ATOM 384 C SER A 54 5.035 15.062 -10.088 1.00 0.00 C ATOM 385 O SER A 54 6.034 14.985 -10.775 1.00 0.00 O ATOM 386 CB SER A 54 5.130 17.554 -9.947 1.00 0.00 C ATOM 387 OG SER A 54 4.366 18.710 -9.631 1.00 0.00 O ATOM 0 H SER A 54 2.330 16.386 -9.004 1.00 0.00 H new ATOM 0 HA SER A 54 3.589 16.426 -10.929 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.893 17.390 -9.186 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.650 17.696 -10.895 1.00 0.00 H new ATOM 0 HG SER A 54 4.959 19.488 -9.574 1.00 0.00 H new ATOM 388 N GLY A 55 4.625 14.057 -9.363 1.00 0.00 N ATOM 389 CA GLY A 55 5.379 12.776 -9.355 1.00 0.00 C ATOM 390 C GLY A 55 6.479 12.832 -8.293 1.00 0.00 C ATOM 391 O GLY A 55 6.926 11.813 -7.806 1.00 0.00 O ATOM 0 H GLY A 55 3.794 14.071 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.703 11.946 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.817 12.594 -10.337 1.00 0.00 H new ATOM 392 N GLY A 56 6.915 14.014 -7.926 1.00 0.00 N ATOM 393 CA GLY A 56 7.980 14.130 -6.884 1.00 0.00 C ATOM 394 C GLY A 56 7.691 13.114 -5.781 1.00 0.00 C ATOM 395 O GLY A 56 8.491 12.245 -5.495 1.00 0.00 O ATOM 0 H GLY A 56 6.579 14.900 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.961 13.945 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.000 15.140 -6.473 1.00 0.00 H new ATOM 396 N SER A 57 6.534 13.198 -5.184 1.00 0.00 N ATOM 397 CA SER A 57 6.175 12.216 -4.129 1.00 0.00 C ATOM 398 C SER A 57 6.201 10.822 -4.759 1.00 0.00 C ATOM 399 O SER A 57 5.961 10.666 -5.939 1.00 0.00 O ATOM 400 CB SER A 57 4.769 12.513 -3.603 1.00 0.00 C ATOM 401 OG SER A 57 4.795 13.716 -2.844 1.00 0.00 O ATOM 0 H SER A 57 5.825 13.904 -5.382 1.00 0.00 H new ATOM 0 HA SER A 57 6.879 12.276 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.070 12.609 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.418 11.687 -2.985 1.00 0.00 H new ATOM 0 HG SER A 57 3.895 13.910 -2.507 1.00 0.00 H new ATOM 402 N THR A 58 6.492 9.812 -3.993 1.00 0.00 N ATOM 403 CA THR A 58 6.537 8.438 -4.562 1.00 0.00 C ATOM 404 C THR A 58 6.446 7.441 -3.417 1.00 0.00 C ATOM 405 O THR A 58 6.815 7.736 -2.298 1.00 0.00 O ATOM 406 CB THR A 58 7.852 8.230 -5.320 1.00 0.00 C ATOM 407 OG1 THR A 58 8.942 8.616 -4.493 1.00 0.00 O ATOM 408 CG2 THR A 58 7.856 9.073 -6.596 1.00 0.00 C ATOM 0 H THR A 58 6.701 9.877 -2.997 1.00 0.00 H new ATOM 0 HA THR A 58 5.707 8.295 -5.254 1.00 0.00 H new ATOM 0 HB THR A 58 7.950 7.177 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.783 8.481 -4.977 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.794 8.920 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.023 8.774 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.754 10.127 -6.336 1.00 0.00 H new ATOM 409 N TYR A 59 5.954 6.268 -3.676 1.00 0.00 N ATOM 410 CA TYR A 59 5.842 5.277 -2.581 1.00 0.00 C ATOM 411 C TYR A 59 6.457 3.954 -3.004 1.00 0.00 C ATOM 412 O TYR A 59 6.544 3.643 -4.178 1.00 0.00 O ATOM 413 CB TYR A 59 4.386 5.076 -2.228 1.00 0.00 C ATOM 414 CG TYR A 59 4.191 5.455 -0.788 1.00 0.00 C ATOM 415 CD1 TYR A 59 3.945 6.787 -0.439 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.261 4.471 0.195 1.00 0.00 C ATOM 417 CE1 TYR A 59 3.766 7.130 0.907 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.084 4.807 1.537 1.00 0.00 C ATOM 419 CZ TYR A 59 3.834 6.138 1.897 1.00 0.00 C ATOM 420 OH TYR A 59 3.657 6.474 3.224 1.00 0.00 O ATOM 0 H TYR A 59 5.627 5.955 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 59 6.379 5.649 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.752 5.687 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.096 4.038 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.893 7.548 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.453 3.445 -0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.576 8.157 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.140 4.042 2.298 1.00 0.00 H new ATOM 0 HH TYR A 59 3.734 5.669 3.778 1.00 0.00 H new ATOM 421 N TYR A 60 6.918 3.200 -2.038 1.00 0.00 N ATOM 422 CA TYR A 60 7.582 1.893 -2.314 1.00 0.00 C ATOM 423 C TYR A 60 7.324 0.934 -1.153 1.00 0.00 C ATOM 424 O TYR A 60 8.236 0.549 -0.450 1.00 0.00 O ATOM 425 CB TYR A 60 9.092 2.112 -2.398 1.00 0.00 C ATOM 426 CG TYR A 60 9.421 3.030 -3.541 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.076 4.379 -3.466 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.083 2.533 -4.663 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.392 5.242 -4.521 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.400 3.388 -5.722 1.00 0.00 C ATOM 431 CZ TYR A 60 10.055 4.746 -5.653 1.00 0.00 C ATOM 432 OH TYR A 60 10.372 5.593 -6.696 1.00 0.00 O ATOM 0 H TYR A 60 6.860 3.443 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 60 7.191 1.483 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.457 2.538 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.598 1.156 -2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.565 4.758 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.351 1.488 -4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.126 6.287 -4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.910 3.004 -6.593 1.00 0.00 H new ATOM 0 HH TYR A 60 10.830 5.088 -7.400 1.00 0.00 H new ATOM 433 N ALA A 61 6.105 0.545 -0.929 1.00 0.00 N ATOM 434 CA ALA A 61 5.838 -0.384 0.203 1.00 0.00 C ATOM 435 C ALA A 61 6.376 0.226 1.500 1.00 0.00 C ATOM 436 O ALA A 61 6.736 1.386 1.547 1.00 0.00 O ATOM 437 CB ALA A 61 6.537 -1.719 -0.050 1.00 0.00 C ATOM 0 H ALA A 61 5.288 0.825 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 61 4.764 -0.546 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.339 -2.396 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.160 -2.158 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.611 -1.556 -0.138 1.00 0.00 H new ATOM 438 N ASP A 62 6.440 -0.546 2.551 1.00 0.00 N ATOM 439 CA ASP A 62 6.961 -0.010 3.841 1.00 0.00 C ATOM 440 C ASP A 62 8.355 -0.585 4.107 1.00 0.00 C ATOM 441 O ASP A 62 8.929 -0.387 5.160 1.00 0.00 O ATOM 442 CB ASP A 62 6.019 -0.408 4.982 1.00 0.00 C ATOM 443 CG ASP A 62 6.038 0.673 6.065 1.00 0.00 C ATOM 444 OD1 ASP A 62 5.870 1.832 5.723 1.00 0.00 O ATOM 445 OD2 ASP A 62 6.220 0.323 7.220 1.00 0.00 O ATOM 0 H ASP A 62 6.154 -1.525 2.572 1.00 0.00 H new ATOM 0 HA ASP A 62 7.020 1.077 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.006 -0.538 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.327 -1.365 5.404 1.00 0.00 H new ATOM 446 N SER A 63 8.905 -1.296 3.161 1.00 0.00 N ATOM 447 CA SER A 63 10.261 -1.884 3.357 1.00 0.00 C ATOM 448 C SER A 63 10.921 -2.111 2.002 1.00 0.00 C ATOM 449 O SER A 63 11.855 -2.878 1.879 1.00 0.00 O ATOM 450 CB SER A 63 10.143 -3.233 4.054 1.00 0.00 C ATOM 451 OG SER A 63 10.385 -3.071 5.446 1.00 0.00 O ATOM 0 H SER A 63 8.473 -1.496 2.259 1.00 0.00 H new ATOM 0 HA SER A 63 10.855 -1.198 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.150 -3.652 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.858 -3.937 3.629 1.00 0.00 H new ATOM 0 HG SER A 63 10.000 -2.222 5.748 1.00 0.00 H new ATOM 452 N VAL A 64 10.442 -1.466 0.981 1.00 0.00 N ATOM 453 CA VAL A 64 11.049 -1.673 -0.356 1.00 0.00 C ATOM 454 C VAL A 64 11.411 -0.321 -0.966 1.00 0.00 C ATOM 455 O VAL A 64 11.342 -0.131 -2.163 1.00 0.00 O ATOM 456 CB VAL A 64 10.065 -2.401 -1.277 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.846 -3.342 -2.194 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.069 -3.219 -0.446 1.00 0.00 C ATOM 0 H VAL A 64 9.662 -0.809 1.014 1.00 0.00 H new ATOM 0 HA VAL A 64 11.948 -2.280 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 64 9.517 -1.668 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.154 -3.865 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.551 -2.765 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.391 -4.068 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.375 -3.732 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.610 -3.954 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.513 -2.553 0.215 1.00 0.00 H new ATOM 459 N LYS A 65 11.795 0.622 -0.152 1.00 0.00 N ATOM 460 CA LYS A 65 12.163 1.963 -0.687 1.00 0.00 C ATOM 461 C LYS A 65 13.377 1.823 -1.608 1.00 0.00 C ATOM 462 O LYS A 65 14.447 1.430 -1.186 1.00 0.00 O ATOM 463 CB LYS A 65 12.505 2.901 0.473 1.00 0.00 C ATOM 464 CG LYS A 65 13.718 2.357 1.227 1.00 0.00 C ATOM 465 CD LYS A 65 13.397 2.277 2.721 1.00 0.00 C ATOM 466 CE LYS A 65 12.971 0.850 3.076 1.00 0.00 C ATOM 467 NZ LYS A 65 13.393 0.540 4.471 1.00 0.00 N ATOM 0 H LYS A 65 11.870 0.523 0.860 1.00 0.00 H new ATOM 0 HA LYS A 65 11.324 2.375 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.717 3.901 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.653 2.988 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.983 1.370 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.581 3.003 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.270 2.564 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.601 2.978 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.890 0.747 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.422 0.141 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.104 -0.429 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.427 0.623 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.943 1.210 5.127 1.00 0.00 H new ATOM 468 N GLY A 66 13.218 2.134 -2.865 1.00 0.00 N ATOM 469 CA GLY A 66 14.362 2.009 -3.812 1.00 0.00 C ATOM 470 C GLY A 66 14.306 0.640 -4.492 1.00 0.00 C ATOM 471 O GLY A 66 14.828 0.449 -5.572 1.00 0.00 O ATOM 0 H GLY A 66 12.347 2.469 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.319 2.801 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.305 2.125 -3.278 1.00 0.00 H new ATOM 472 N ARG A 67 13.675 -0.316 -3.865 1.00 0.00 N ATOM 473 CA ARG A 67 13.582 -1.675 -4.471 1.00 0.00 C ATOM 474 C ARG A 67 12.164 -1.904 -5.001 1.00 0.00 C ATOM 475 O ARG A 67 11.796 -3.004 -5.358 1.00 0.00 O ATOM 476 CB ARG A 67 13.904 -2.731 -3.410 1.00 0.00 C ATOM 477 CG ARG A 67 15.193 -3.462 -3.792 1.00 0.00 C ATOM 478 CD ARG A 67 15.876 -3.992 -2.530 1.00 0.00 C ATOM 479 NE ARG A 67 17.070 -3.155 -2.225 1.00 0.00 N ATOM 480 CZ ARG A 67 18.201 -3.725 -1.908 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.650 -4.723 -2.619 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.881 -3.296 -0.880 1.00 0.00 N ATOM 0 H ARG A 67 13.219 -0.214 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 67 14.294 -1.754 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.017 -2.259 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.081 -3.441 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.969 -4.286 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.863 -2.786 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.180 -3.972 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.173 -5.031 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 67 17.004 -2.138 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.117 -5.057 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.534 -5.169 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.529 -2.516 -0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.765 -3.741 -0.632 1.00 0.00 H new ATOM 483 N PHE A 68 11.370 -0.868 -5.066 1.00 0.00 N ATOM 484 CA PHE A 68 9.979 -1.016 -5.580 1.00 0.00 C ATOM 485 C PHE A 68 9.796 -0.011 -6.714 1.00 0.00 C ATOM 486 O PHE A 68 10.495 0.977 -6.780 1.00 0.00 O ATOM 487 CB PHE A 68 8.987 -0.709 -4.454 1.00 0.00 C ATOM 488 CG PHE A 68 8.343 -1.978 -3.932 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.914 -3.231 -4.186 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.169 -1.891 -3.177 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.307 -4.387 -3.687 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.564 -3.047 -2.681 1.00 0.00 C ATOM 493 CZ PHE A 68 7.131 -4.295 -2.935 1.00 0.00 C ATOM 0 H PHE A 68 11.627 0.078 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 68 9.803 -2.031 -5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.502 -0.198 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.216 -0.030 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.822 -3.304 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.729 -0.925 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.747 -5.354 -3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.656 -2.975 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.663 -5.190 -2.552 1.00 0.00 H new ATOM 494 N THR A 69 8.890 -0.244 -7.622 1.00 0.00 N ATOM 495 CA THR A 69 8.737 0.731 -8.738 1.00 0.00 C ATOM 496 C THR A 69 7.262 1.007 -9.047 1.00 0.00 C ATOM 497 O THR A 69 6.478 0.104 -9.267 1.00 0.00 O ATOM 498 CB THR A 69 9.404 0.163 -9.986 1.00 0.00 C ATOM 499 OG1 THR A 69 9.481 1.174 -10.980 1.00 0.00 O ATOM 500 CG2 THR A 69 8.572 -1.007 -10.502 1.00 0.00 C ATOM 0 H THR A 69 8.262 -1.048 -7.642 1.00 0.00 H new ATOM 0 HA THR A 69 9.205 1.669 -8.438 1.00 0.00 H new ATOM 0 HB THR A 69 10.410 -0.181 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.911 0.812 -11.783 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.041 -1.421 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.512 -1.778 -9.733 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.568 -0.660 -10.747 1.00 0.00 H new ATOM 501 N ILE A 70 6.896 2.261 -9.104 1.00 0.00 N ATOM 502 CA ILE A 70 5.491 2.633 -9.444 1.00 0.00 C ATOM 503 C ILE A 70 5.359 2.626 -10.970 1.00 0.00 C ATOM 504 O ILE A 70 5.300 3.661 -11.604 1.00 0.00 O ATOM 505 CB ILE A 70 5.197 4.028 -8.895 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.818 4.496 -9.365 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.262 4.988 -9.402 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.770 3.447 -8.988 1.00 0.00 C ATOM 0 H ILE A 70 7.517 3.051 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 70 4.783 1.929 -9.007 1.00 0.00 H new ATOM 0 HB ILE A 70 5.206 4.002 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.571 5.454 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.822 4.650 -10.444 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.063 5.988 -9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.243 4.656 -9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.244 5.009 -10.492 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.787 3.779 -9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.015 2.499 -9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.760 3.315 -7.906 1.00 0.00 H new ATOM 509 N SER A 71 5.332 1.458 -11.567 1.00 0.00 N ATOM 510 CA SER A 71 5.229 1.377 -13.053 1.00 0.00 C ATOM 511 C SER A 71 3.972 2.105 -13.511 1.00 0.00 C ATOM 512 O SER A 71 3.003 2.192 -12.787 1.00 0.00 O ATOM 513 CB SER A 71 5.161 -0.088 -13.480 1.00 0.00 C ATOM 514 OG SER A 71 6.435 -0.496 -13.962 1.00 0.00 O ATOM 0 H SER A 71 5.377 0.559 -11.087 1.00 0.00 H new ATOM 0 HA SER A 71 6.103 1.843 -13.507 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.862 -0.711 -12.637 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.407 -0.218 -14.256 1.00 0.00 H new ATOM 0 HG SER A 71 6.396 -1.436 -14.235 1.00 0.00 H new ATOM 515 N ARG A 72 3.976 2.638 -14.703 1.00 0.00 N ATOM 516 CA ARG A 72 2.772 3.368 -15.181 1.00 0.00 C ATOM 517 C ARG A 72 2.432 2.966 -16.618 1.00 0.00 C ATOM 518 O ARG A 72 3.290 2.599 -17.396 1.00 0.00 O ATOM 519 CB ARG A 72 3.035 4.875 -15.113 1.00 0.00 C ATOM 520 CG ARG A 72 3.725 5.212 -13.788 1.00 0.00 C ATOM 521 CD ARG A 72 2.716 5.090 -12.644 1.00 0.00 C ATOM 522 NE ARG A 72 2.880 6.232 -11.702 1.00 0.00 N ATOM 523 CZ ARG A 72 1.828 6.806 -11.189 1.00 0.00 C ATOM 524 NH1 ARG A 72 1.256 7.795 -11.817 1.00 0.00 N ATOM 525 NH2 ARG A 72 1.346 6.391 -10.048 1.00 0.00 N ATOM 0 H ARG A 72 4.755 2.599 -15.360 1.00 0.00 H new ATOM 0 HA ARG A 72 1.926 3.111 -14.543 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.661 5.184 -15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.097 5.423 -15.197 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.565 4.537 -13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.131 6.223 -13.823 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.701 5.078 -13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.863 4.148 -12.116 1.00 0.00 H new ATOM 0 HE ARG A 72 3.813 6.564 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.632 8.119 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.433 8.245 -11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.793 5.617 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.523 6.841 -9.648 1.00 0.00 H new ATOM 526 N ASP A 73 1.174 3.038 -16.968 1.00 0.00 N ATOM 527 CA ASP A 73 0.749 2.671 -18.345 1.00 0.00 C ATOM 528 C ASP A 73 -0.186 3.772 -18.868 1.00 0.00 C ATOM 529 O ASP A 73 -1.401 3.652 -18.849 1.00 0.00 O ATOM 530 CB ASP A 73 0.039 1.316 -18.297 1.00 0.00 C ATOM 531 CG ASP A 73 0.523 0.434 -19.447 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.613 0.679 -19.936 1.00 0.00 O ATOM 533 OD2 ASP A 73 -0.198 -0.478 -19.813 1.00 0.00 O ATOM 0 H ASP A 73 0.419 3.338 -16.351 1.00 0.00 H new ATOM 0 HA ASP A 73 1.604 2.586 -19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.236 0.826 -17.344 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.040 1.458 -18.365 1.00 0.00 H new ATOM 534 N ASN A 74 0.403 4.860 -19.300 1.00 0.00 N ATOM 535 CA ASN A 74 -0.359 6.040 -19.810 1.00 0.00 C ATOM 536 C ASN A 74 -1.486 5.640 -20.772 1.00 0.00 C ATOM 537 O ASN A 74 -2.651 5.692 -20.432 1.00 0.00 O ATOM 538 CB ASN A 74 0.613 6.948 -20.561 1.00 0.00 C ATOM 539 CG ASN A 74 1.747 7.368 -19.623 1.00 0.00 C ATOM 540 OD1 ASN A 74 2.829 6.641 -19.563 1.00 0.00 O flip ATOM 541 ND2 ASN A 74 1.647 8.366 -18.939 1.00 0.00 N flip ATOM 0 H ASN A 74 1.416 4.981 -19.320 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.812 6.542 -18.955 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.018 6.427 -21.428 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.090 7.829 -20.934 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.801 8.934 -18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.409 8.637 -18.317 1.00 0.00 H new ATOM 542 N SER A 75 -1.149 5.289 -21.986 1.00 0.00 N ATOM 543 CA SER A 75 -2.201 4.936 -22.990 1.00 0.00 C ATOM 544 C SER A 75 -2.704 3.506 -22.781 1.00 0.00 C ATOM 545 O SER A 75 -2.989 2.801 -23.728 1.00 0.00 O ATOM 546 CB SER A 75 -1.610 5.057 -24.395 1.00 0.00 C ATOM 547 OG SER A 75 -1.821 6.376 -24.881 1.00 0.00 O ATOM 0 H SER A 75 -0.190 5.231 -22.327 1.00 0.00 H new ATOM 0 HA SER A 75 -3.041 5.620 -22.867 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.544 4.831 -24.374 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.077 4.332 -25.062 1.00 0.00 H new ATOM 0 HG SER A 75 -1.442 6.458 -25.781 1.00 0.00 H new ATOM 548 N LYS A 76 -2.821 3.070 -21.563 1.00 0.00 N ATOM 549 CA LYS A 76 -3.308 1.691 -21.318 1.00 0.00 C ATOM 550 C LYS A 76 -4.395 1.715 -20.239 1.00 0.00 C ATOM 551 O LYS A 76 -4.972 0.701 -19.907 1.00 0.00 O ATOM 552 CB LYS A 76 -2.138 0.827 -20.864 1.00 0.00 C ATOM 553 CG LYS A 76 -1.060 0.822 -21.955 1.00 0.00 C ATOM 554 CD LYS A 76 -0.132 2.034 -21.785 1.00 0.00 C ATOM 555 CE LYS A 76 1.259 1.691 -22.327 1.00 0.00 C ATOM 556 NZ LYS A 76 2.254 2.662 -21.791 1.00 0.00 N ATOM 0 H LYS A 76 -2.600 3.610 -20.726 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.731 1.277 -22.233 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.726 1.213 -19.931 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.477 -0.190 -20.666 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.481 -0.100 -21.901 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.528 0.847 -22.939 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.539 2.895 -22.316 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.066 2.311 -20.733 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.533 0.676 -22.039 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.254 1.723 -23.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.034 2.771 -22.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.794 3.583 -21.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.629 2.311 -20.887 1.00 0.00 H new ATOM 557 N ASN A 77 -4.688 2.873 -19.703 1.00 0.00 N ATOM 558 CA ASN A 77 -5.739 2.978 -18.672 1.00 0.00 C ATOM 559 C ASN A 77 -5.246 2.442 -17.329 1.00 0.00 C ATOM 560 O ASN A 77 -6.033 1.987 -16.529 1.00 0.00 O ATOM 561 CB ASN A 77 -6.977 2.195 -19.116 1.00 0.00 C ATOM 562 CG ASN A 77 -7.284 2.513 -20.581 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.911 1.768 -21.466 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.952 3.594 -20.876 1.00 0.00 N ATOM 0 H ASN A 77 -4.233 3.753 -19.945 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.994 4.031 -18.549 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.807 1.125 -18.993 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.830 2.457 -18.490 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.161 3.814 -21.850 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.265 4.219 -20.133 1.00 0.00 H new ATOM 565 N THR A 78 -3.972 2.503 -17.032 1.00 0.00 N ATOM 566 CA THR A 78 -3.558 2.001 -15.695 1.00 0.00 C ATOM 567 C THR A 78 -2.054 2.127 -15.482 1.00 0.00 C ATOM 568 O THR A 78 -1.291 2.251 -16.410 1.00 0.00 O ATOM 569 CB THR A 78 -3.958 0.537 -15.603 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.292 -0.078 -14.510 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.582 -0.166 -16.906 1.00 0.00 C ATOM 0 H THR A 78 -3.230 2.864 -17.632 1.00 0.00 H new ATOM 0 HA THR A 78 -4.048 2.598 -14.926 1.00 0.00 H new ATOM 0 HB THR A 78 -5.034 0.461 -15.445 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.410 -0.391 -14.799 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.866 -1.217 -16.848 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.105 0.305 -17.738 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.506 -0.089 -17.064 1.00 0.00 H new ATOM 572 N LEU A 79 -1.628 2.048 -14.251 1.00 0.00 N ATOM 573 CA LEU A 79 -0.163 2.102 -13.962 1.00 0.00 C ATOM 574 C LEU A 79 0.202 0.795 -13.255 1.00 0.00 C ATOM 575 O LEU A 79 -0.618 0.205 -12.596 1.00 0.00 O ATOM 576 CB LEU A 79 0.218 3.340 -13.123 1.00 0.00 C ATOM 577 CG LEU A 79 -0.721 3.563 -11.944 1.00 0.00 C ATOM 578 CD1 LEU A 79 -2.107 3.957 -12.449 1.00 0.00 C ATOM 579 CD2 LEU A 79 -0.801 2.299 -11.095 1.00 0.00 C ATOM 0 H LEU A 79 -2.229 1.949 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 79 0.402 2.203 -14.889 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.237 3.224 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.209 4.223 -13.762 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.333 4.373 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.772 4.115 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.035 4.877 -13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.505 3.161 -13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.474 2.467 -10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.177 1.476 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.192 2.049 -10.720 1.00 0.00 H new ATOM 580 N TYR A 80 1.388 0.291 -13.430 1.00 0.00 N ATOM 581 CA TYR A 80 1.712 -1.031 -12.808 1.00 0.00 C ATOM 582 C TYR A 80 2.713 -0.909 -11.667 1.00 0.00 C ATOM 583 O TYR A 80 3.233 0.149 -11.376 1.00 0.00 O ATOM 584 CB TYR A 80 2.289 -1.952 -13.883 1.00 0.00 C ATOM 585 CG TYR A 80 1.199 -2.354 -14.848 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.425 -1.376 -15.492 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.971 -3.710 -15.105 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.577 -1.762 -16.392 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.031 -4.093 -16.004 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.805 -3.119 -16.648 1.00 0.00 C ATOM 591 OH TYR A 80 -1.791 -3.499 -17.535 1.00 0.00 O ATOM 0 H TYR A 80 2.140 0.724 -13.966 1.00 0.00 H new ATOM 0 HA TYR A 80 0.790 -1.438 -12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.092 -1.444 -14.417 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.724 -2.838 -13.421 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.601 -0.329 -15.294 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.568 -4.461 -14.610 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.174 -1.012 -16.889 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.208 -5.140 -16.201 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.816 -4.477 -17.598 1.00 0.00 H new ATOM 592 N LEU A 81 2.977 -2.016 -11.015 1.00 0.00 N ATOM 593 CA LEU A 81 3.937 -2.018 -9.880 1.00 0.00 C ATOM 594 C LEU A 81 4.861 -3.220 -9.976 1.00 0.00 C ATOM 595 O LEU A 81 4.425 -4.354 -9.869 1.00 0.00 O ATOM 596 CB LEU A 81 3.192 -2.180 -8.553 1.00 0.00 C ATOM 597 CG LEU A 81 2.639 -0.854 -8.068 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.309 -0.963 -6.579 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.663 0.247 -8.257 1.00 0.00 C ATOM 0 H LEU A 81 2.562 -2.923 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 81 4.487 -1.078 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.377 -2.894 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.867 -2.592 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 81 1.744 -0.616 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.911 -0.012 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.567 -1.747 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.214 -1.208 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.250 1.192 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.562 0.009 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.914 0.333 -9.314 1.00 0.00 H new ATOM 600 N GLN A 82 6.133 -2.990 -10.081 1.00 0.00 N ATOM 601 CA GLN A 82 7.073 -4.130 -10.065 1.00 0.00 C ATOM 602 C GLN A 82 7.560 -4.191 -8.622 1.00 0.00 C ATOM 603 O GLN A 82 8.374 -3.386 -8.201 1.00 0.00 O ATOM 604 CB GLN A 82 8.242 -3.899 -11.025 1.00 0.00 C ATOM 605 CG GLN A 82 7.725 -3.244 -12.308 1.00 0.00 C ATOM 606 CD GLN A 82 8.850 -3.192 -13.343 1.00 0.00 C ATOM 607 OE1 GLN A 82 9.322 -2.035 -13.717 1.00 0.00 O flip ATOM 608 NE2 GLN A 82 9.302 -4.216 -13.814 1.00 0.00 N flip ATOM 0 H GLN A 82 6.559 -2.068 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 82 6.603 -5.058 -10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.992 -3.263 -10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.728 -4.846 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.880 -3.808 -12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.365 -2.237 -12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.931 -5.120 -13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.052 -4.172 -14.504 1.00 0.00 H new ATOM 609 N MET A 83 7.019 -5.079 -7.833 1.00 0.00 N ATOM 610 CA MET A 83 7.420 -5.100 -6.391 1.00 0.00 C ATOM 611 C MET A 83 7.987 -6.469 -5.998 1.00 0.00 C ATOM 612 O MET A 83 7.304 -7.470 -6.015 1.00 0.00 O ATOM 613 CB MET A 83 6.202 -4.750 -5.504 1.00 0.00 C ATOM 614 CG MET A 83 4.902 -4.848 -6.311 1.00 0.00 C ATOM 615 SD MET A 83 3.533 -5.275 -5.209 1.00 0.00 S ATOM 616 CE MET A 83 2.290 -4.198 -5.966 1.00 0.00 C ATOM 0 H MET A 83 6.331 -5.778 -8.113 1.00 0.00 H new ATOM 0 HA MET A 83 8.202 -4.356 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.159 -5.428 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.314 -3.742 -5.105 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.699 -3.900 -6.809 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.003 -5.602 -7.091 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.942 -3.472 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.731 -3.674 -6.814 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.448 -4.799 -6.309 1.00 0.00 H new ATOM 617 N ASN A 84 9.240 -6.509 -5.629 1.00 0.00 N ATOM 618 CA ASN A 84 9.861 -7.801 -5.220 1.00 0.00 C ATOM 619 C ASN A 84 10.427 -7.664 -3.803 1.00 0.00 C ATOM 620 O ASN A 84 10.066 -6.770 -3.063 1.00 0.00 O ATOM 621 CB ASN A 84 10.993 -8.146 -6.189 1.00 0.00 C ATOM 622 CG ASN A 84 12.177 -7.206 -5.949 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.719 -7.157 -4.863 1.00 0.00 O ATOM 624 ND2 ASN A 84 12.603 -6.452 -6.925 1.00 0.00 N ATOM 0 H ASN A 84 9.861 -5.700 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 84 9.111 -8.592 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.303 -9.181 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.645 -8.054 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.391 -5.822 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.148 -6.493 -7.837 1.00 0.00 H new ATOM 625 N SER A 85 11.317 -8.544 -3.421 1.00 0.00 N ATOM 626 CA SER A 85 11.913 -8.465 -2.056 1.00 0.00 C ATOM 627 C SER A 85 10.924 -9.011 -1.023 1.00 0.00 C ATOM 628 O SER A 85 11.224 -9.098 0.151 1.00 0.00 O ATOM 629 CB SER A 85 12.244 -7.009 -1.728 1.00 0.00 C ATOM 630 OG SER A 85 11.216 -6.464 -0.910 1.00 0.00 O ATOM 0 H SER A 85 11.656 -9.314 -3.997 1.00 0.00 H new ATOM 0 HA SER A 85 12.825 -9.062 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.203 -6.949 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.338 -6.430 -2.647 1.00 0.00 H new ATOM 0 HG SER A 85 10.477 -6.156 -1.475 1.00 0.00 H new ATOM 631 N LEU A 86 9.747 -9.379 -1.449 1.00 0.00 N ATOM 632 CA LEU A 86 8.741 -9.918 -0.490 1.00 0.00 C ATOM 633 C LEU A 86 9.137 -11.335 -0.070 1.00 0.00 C ATOM 634 O LEU A 86 10.157 -11.850 -0.481 1.00 0.00 O ATOM 635 CB LEU A 86 7.372 -9.952 -1.169 1.00 0.00 C ATOM 636 CG LEU A 86 6.645 -8.631 -0.913 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.106 -8.077 -2.233 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.481 -8.873 0.050 1.00 0.00 C ATOM 0 H LEU A 86 9.438 -9.330 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 86 8.700 -9.281 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.489 -10.114 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.783 -10.784 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 86 7.339 -7.913 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.588 -7.136 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.934 -7.907 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.411 -8.793 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.960 -7.933 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.789 -9.591 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.864 -9.267 0.991 1.00 0.00 H new ATOM 639 N ARG A 87 8.337 -11.976 0.743 1.00 0.00 N ATOM 640 CA ARG A 87 8.668 -13.349 1.180 1.00 0.00 C ATOM 641 C ARG A 87 7.528 -14.276 0.799 1.00 0.00 C ATOM 642 O ARG A 87 6.384 -14.001 1.074 1.00 0.00 O ATOM 643 CB ARG A 87 8.854 -13.362 2.690 1.00 0.00 C ATOM 644 CG ARG A 87 10.237 -13.913 3.003 1.00 0.00 C ATOM 645 CD ARG A 87 11.275 -12.799 2.843 1.00 0.00 C ATOM 646 NE ARG A 87 12.180 -12.790 4.026 1.00 0.00 N ATOM 647 CZ ARG A 87 13.426 -13.150 3.895 1.00 0.00 C ATOM 648 NH1 ARG A 87 13.743 -14.110 3.068 1.00 0.00 N ATOM 649 NH2 ARG A 87 14.357 -12.551 4.586 1.00 0.00 N ATOM 0 H ARG A 87 7.467 -11.599 1.120 1.00 0.00 H new ATOM 0 HA ARG A 87 9.588 -13.683 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.748 -12.355 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.086 -13.976 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.263 -14.306 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.470 -14.742 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.852 -12.953 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.777 -11.834 2.745 1.00 0.00 H new ATOM 0 HE ARG A 87 11.825 -12.502 4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.016 -14.577 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.718 -14.393 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.110 -11.800 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.331 -12.834 4.482 1.00 0.00 H new ATOM 650 N ALA A 88 7.832 -15.372 0.168 1.00 0.00 N ATOM 651 CA ALA A 88 6.768 -16.327 -0.235 1.00 0.00 C ATOM 652 C ALA A 88 5.781 -16.480 0.917 1.00 0.00 C ATOM 653 O ALA A 88 4.623 -16.792 0.727 1.00 0.00 O ATOM 654 CB ALA A 88 7.401 -17.683 -0.543 1.00 0.00 C ATOM 0 H ALA A 88 8.780 -15.649 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 88 6.250 -15.957 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.624 -18.388 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.120 -17.573 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.911 -18.057 0.345 1.00 0.00 H new ATOM 655 N GLU A 89 6.249 -16.274 2.113 1.00 0.00 N ATOM 656 CA GLU A 89 5.375 -16.415 3.303 1.00 0.00 C ATOM 657 C GLU A 89 4.780 -15.057 3.700 1.00 0.00 C ATOM 658 O GLU A 89 4.604 -14.775 4.869 1.00 0.00 O ATOM 659 CB GLU A 89 6.229 -16.944 4.448 1.00 0.00 C ATOM 660 CG GLU A 89 5.622 -18.241 4.988 1.00 0.00 C ATOM 661 CD GLU A 89 6.566 -18.853 6.024 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.766 -18.776 5.822 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.072 -19.390 7.003 1.00 0.00 O ATOM 0 H GLU A 89 7.213 -16.011 2.318 1.00 0.00 H new ATOM 0 HA GLU A 89 4.554 -17.096 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.247 -17.124 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.289 -16.201 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.650 -18.040 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.455 -18.944 4.172 1.00 0.00 H new ATOM 664 N ASP A 90 4.459 -14.211 2.753 1.00 0.00 N ATOM 665 CA ASP A 90 3.875 -12.889 3.124 1.00 0.00 C ATOM 666 C ASP A 90 2.866 -12.441 2.068 1.00 0.00 C ATOM 667 O ASP A 90 2.893 -11.312 1.620 1.00 0.00 O ATOM 668 CB ASP A 90 4.981 -11.838 3.237 1.00 0.00 C ATOM 669 CG ASP A 90 5.667 -11.960 4.600 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.088 -12.576 5.479 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.759 -11.435 4.741 1.00 0.00 O ATOM 0 H ASP A 90 4.574 -14.376 1.753 1.00 0.00 H new ATOM 0 HA ASP A 90 3.371 -12.994 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.710 -11.975 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.561 -10.839 3.118 1.00 0.00 H new ATOM 672 N THR A 91 1.966 -13.307 1.678 1.00 0.00 N ATOM 673 CA THR A 91 0.942 -12.912 0.662 1.00 0.00 C ATOM 674 C THR A 91 0.443 -11.508 1.006 1.00 0.00 C ATOM 675 O THR A 91 0.543 -11.079 2.139 1.00 0.00 O ATOM 676 CB THR A 91 -0.218 -13.907 0.702 1.00 0.00 C ATOM 677 OG1 THR A 91 0.233 -15.173 0.240 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.354 -13.412 -0.194 1.00 0.00 C ATOM 0 H THR A 91 1.895 -14.266 2.017 1.00 0.00 H new ATOM 0 HA THR A 91 1.373 -12.915 -0.339 1.00 0.00 H new ATOM 0 HB THR A 91 -0.582 -13.998 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.508 -15.814 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.179 -14.124 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.700 -12.441 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.995 -13.318 -1.219 1.00 0.00 H new ATOM 679 N ALA A 92 -0.062 -10.766 0.057 1.00 0.00 N ATOM 680 CA ALA A 92 -0.508 -9.385 0.404 1.00 0.00 C ATOM 681 C ALA A 92 -1.754 -8.977 -0.382 1.00 0.00 C ATOM 682 O ALA A 92 -2.152 -9.618 -1.336 1.00 0.00 O ATOM 683 CB ALA A 92 0.621 -8.403 0.088 1.00 0.00 C ATOM 0 H ALA A 92 -0.183 -11.045 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.755 -9.367 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.304 -7.391 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.503 -8.662 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.862 -8.455 -0.974 1.00 0.00 H new ATOM 684 N VAL A 93 -2.345 -7.882 0.015 1.00 0.00 N ATOM 685 CA VAL A 93 -3.544 -7.357 -0.683 1.00 0.00 C ATOM 686 C VAL A 93 -3.308 -5.861 -0.902 1.00 0.00 C ATOM 687 O VAL A 93 -2.883 -5.159 -0.008 1.00 0.00 O ATOM 688 CB VAL A 93 -4.795 -7.592 0.166 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.986 -6.874 -0.474 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.088 -9.091 0.231 1.00 0.00 C ATOM 0 H VAL A 93 -2.038 -7.322 0.810 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.700 -7.864 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.631 -7.205 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.878 -7.040 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.780 -5.805 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.149 -7.265 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.979 -9.262 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.254 -9.473 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.240 -9.608 0.680 1.00 0.00 H new ATOM 691 N TYR A 94 -3.537 -5.375 -2.087 1.00 0.00 N ATOM 692 CA TYR A 94 -3.273 -3.928 -2.364 1.00 0.00 C ATOM 693 C TYR A 94 -4.532 -3.252 -2.910 1.00 0.00 C ATOM 694 O TYR A 94 -5.135 -3.716 -3.853 1.00 0.00 O ATOM 695 CB TYR A 94 -2.187 -3.817 -3.442 1.00 0.00 C ATOM 696 CG TYR A 94 -1.014 -4.696 -3.124 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.649 -4.950 -1.800 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.277 -5.236 -4.171 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.460 -5.749 -1.523 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.834 -6.038 -3.899 1.00 0.00 C ATOM 701 CZ TYR A 94 1.203 -6.297 -2.574 1.00 0.00 C ATOM 702 OH TYR A 94 2.300 -7.090 -2.305 1.00 0.00 O ATOM 0 H TYR A 94 -3.895 -5.911 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.964 -3.448 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.602 -4.097 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.857 -2.781 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.226 -4.528 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.563 -5.036 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.744 -5.944 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.408 -6.458 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 94 2.564 -6.976 -1.368 1.00 0.00 H new ATOM 703 N TYR A 95 -4.910 -2.137 -2.361 1.00 0.00 N ATOM 704 CA TYR A 95 -6.102 -1.427 -2.892 1.00 0.00 C ATOM 705 C TYR A 95 -5.614 -0.356 -3.857 1.00 0.00 C ATOM 706 O TYR A 95 -4.530 -0.452 -4.365 1.00 0.00 O ATOM 707 CB TYR A 95 -6.873 -0.806 -1.739 1.00 0.00 C ATOM 708 CG TYR A 95 -7.683 -1.892 -1.097 1.00 0.00 C ATOM 709 CD1 TYR A 95 -7.029 -2.948 -0.460 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.079 -1.864 -1.169 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.777 -3.983 0.109 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.827 -2.896 -0.594 1.00 0.00 C ATOM 713 CZ TYR A 95 -9.175 -3.958 0.045 1.00 0.00 C ATOM 714 OH TYR A 95 -9.911 -4.981 0.607 1.00 0.00 O ATOM 0 H TYR A 95 -4.448 -1.687 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.768 -2.114 -3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.189 -0.361 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.521 -0.007 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.950 -2.965 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.579 -1.047 -1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.275 -4.804 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.906 -2.874 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.866 -4.808 0.475 1.00 0.00 H new ATOM 715 N CYS A 96 -6.384 0.657 -4.128 1.00 0.00 N ATOM 716 CA CYS A 96 -5.899 1.698 -5.077 1.00 0.00 C ATOM 717 C CYS A 96 -6.368 3.082 -4.606 1.00 0.00 C ATOM 718 O CYS A 96 -7.276 3.187 -3.806 1.00 0.00 O ATOM 719 CB CYS A 96 -6.446 1.389 -6.470 1.00 0.00 C ATOM 720 SG CYS A 96 -5.125 0.722 -7.520 1.00 0.00 S ATOM 0 H CYS A 96 -7.315 0.810 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.810 1.697 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.263 0.671 -6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.856 2.294 -6.918 1.00 0.00 H new ATOM 721 N ALA A 97 -5.758 4.155 -5.066 1.00 0.00 N ATOM 722 CA ALA A 97 -6.204 5.497 -4.585 1.00 0.00 C ATOM 723 C ALA A 97 -5.509 6.625 -5.353 1.00 0.00 C ATOM 724 O ALA A 97 -4.451 6.454 -5.903 1.00 0.00 O ATOM 725 CB ALA A 97 -5.829 5.621 -3.112 1.00 0.00 C ATOM 0 H ALA A 97 -4.990 4.157 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.280 5.584 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.145 6.594 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.325 4.835 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.749 5.523 -3.002 1.00 0.00 H new ATOM 726 N ARG A 98 -6.087 7.795 -5.361 1.00 0.00 N ATOM 727 CA ARG A 98 -5.426 8.945 -6.056 1.00 0.00 C ATOM 728 C ARG A 98 -4.661 9.762 -5.012 1.00 0.00 C ATOM 729 O ARG A 98 -4.652 9.423 -3.848 1.00 0.00 O ATOM 730 CB ARG A 98 -6.471 9.843 -6.712 1.00 0.00 C ATOM 731 CG ARG A 98 -6.212 9.910 -8.218 1.00 0.00 C ATOM 732 CD ARG A 98 -5.126 10.951 -8.498 1.00 0.00 C ATOM 733 NE ARG A 98 -5.093 11.284 -9.955 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.167 11.156 -10.687 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.652 9.970 -10.927 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.755 12.210 -11.179 1.00 0.00 N ATOM 0 H ARG A 98 -6.982 8.007 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.754 8.565 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.471 9.455 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.430 10.843 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.900 8.934 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.129 10.173 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.317 11.852 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.155 10.568 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.226 11.613 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.193 9.144 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.491 9.868 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.377 13.139 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.594 12.106 -11.750 1.00 0.00 H new ATOM 737 N LEU A 99 -4.015 10.831 -5.399 1.00 0.00 N ATOM 738 CA LEU A 99 -3.268 11.631 -4.376 1.00 0.00 C ATOM 739 C LEU A 99 -2.917 13.031 -4.899 1.00 0.00 C ATOM 740 O LEU A 99 -1.758 13.384 -4.996 1.00 0.00 O ATOM 741 CB LEU A 99 -1.970 10.904 -4.000 1.00 0.00 C ATOM 742 CG LEU A 99 -1.541 9.962 -5.130 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.603 10.690 -6.472 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.109 9.491 -4.883 1.00 0.00 C ATOM 0 H LEU A 99 -3.970 11.181 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.913 11.738 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.182 11.631 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.116 10.337 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.216 9.106 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.296 10.012 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.623 11.028 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.934 11.550 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.197 8.821 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.558 10.353 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.059 8.963 -3.931 1.00 0.00 H new ATOM 745 N LYS A 100 -3.888 13.844 -5.221 1.00 0.00 N ATOM 746 CA LYS A 100 -3.555 15.216 -5.712 1.00 0.00 C ATOM 747 C LYS A 100 -4.628 16.216 -5.266 1.00 0.00 C ATOM 748 O LYS A 100 -4.650 17.349 -5.705 1.00 0.00 O ATOM 749 CB LYS A 100 -3.449 15.216 -7.236 1.00 0.00 C ATOM 750 CG LYS A 100 -4.534 14.322 -7.826 1.00 0.00 C ATOM 751 CD LYS A 100 -4.862 14.800 -9.240 1.00 0.00 C ATOM 752 CE LYS A 100 -5.650 16.109 -9.170 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.838 17.208 -9.763 1.00 0.00 N ATOM 0 H LYS A 100 -4.883 13.624 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.597 15.514 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.554 16.232 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.465 14.860 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.196 13.286 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.427 14.353 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.943 14.947 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.443 14.042 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.593 16.008 -9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.897 16.343 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.081 18.107 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.827 17.008 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.038 17.277 -10.781 1.00 0.00 H new ATOM 754 N LYS A 101 -5.506 15.816 -4.386 1.00 0.00 N ATOM 755 CA LYS A 101 -6.562 16.751 -3.896 1.00 0.00 C ATOM 756 C LYS A 101 -7.696 16.858 -4.917 1.00 0.00 C ATOM 757 O LYS A 101 -8.717 16.217 -4.768 1.00 0.00 O ATOM 758 CB LYS A 101 -5.954 18.132 -3.640 1.00 0.00 C ATOM 759 CG LYS A 101 -6.417 18.645 -2.276 1.00 0.00 C ATOM 760 CD LYS A 101 -5.365 18.307 -1.218 1.00 0.00 C ATOM 761 CE LYS A 101 -4.327 19.428 -1.155 1.00 0.00 C ATOM 762 NZ LYS A 101 -4.254 19.962 0.234 1.00 0.00 N ATOM 0 H LYS A 101 -5.538 14.879 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.971 16.361 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.866 18.074 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.257 18.826 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.575 19.723 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.373 18.193 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.840 18.181 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.880 17.361 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.351 19.052 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.595 20.225 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.548 20.724 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.184 20.336 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.979 19.199 0.885 1.00 0.00 H new ATOM 763 N TYR A 102 -7.538 17.649 -5.954 1.00 0.00 N ATOM 764 CA TYR A 102 -8.630 17.754 -6.970 1.00 0.00 C ATOM 765 C TYR A 102 -9.121 16.346 -7.257 1.00 0.00 C ATOM 766 O TYR A 102 -10.269 16.110 -7.578 1.00 0.00 O ATOM 767 CB TYR A 102 -8.091 18.371 -8.263 1.00 0.00 C ATOM 768 CG TYR A 102 -9.171 18.349 -9.322 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.567 17.134 -9.907 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.779 19.545 -9.719 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.570 17.124 -10.884 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.782 19.532 -10.696 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.177 18.322 -11.279 1.00 0.00 C ATOM 774 OH TYR A 102 -12.167 18.310 -12.242 1.00 0.00 O ATOM 0 H TYR A 102 -6.712 18.218 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.436 18.385 -6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.766 19.395 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.218 17.816 -8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.098 16.210 -9.603 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.474 20.479 -9.271 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.876 16.191 -11.333 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.251 20.456 -11.000 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.482 19.225 -12.398 1.00 0.00 H new ATOM 775 N ALA A 103 -8.233 15.409 -7.117 1.00 0.00 N ATOM 776 CA ALA A 103 -8.576 13.993 -7.345 1.00 0.00 C ATOM 777 C ALA A 103 -8.679 13.295 -5.990 1.00 0.00 C ATOM 778 O ALA A 103 -9.099 13.880 -5.011 1.00 0.00 O ATOM 779 CB ALA A 103 -7.457 13.354 -8.156 1.00 0.00 C ATOM 0 H ALA A 103 -7.263 15.574 -6.848 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.522 13.905 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.691 12.305 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.357 13.872 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.520 13.427 -7.604 1.00 0.00 H new ATOM 780 N PHE A 104 -8.292 12.056 -5.923 1.00 0.00 N ATOM 781 CA PHE A 104 -8.357 11.327 -4.630 1.00 0.00 C ATOM 782 C PHE A 104 -9.823 10.996 -4.322 1.00 0.00 C ATOM 783 O PHE A 104 -10.722 11.440 -5.009 1.00 0.00 O ATOM 784 CB PHE A 104 -7.797 12.224 -3.522 1.00 0.00 C ATOM 785 CG PHE A 104 -6.842 11.447 -2.638 1.00 0.00 C ATOM 786 CD1 PHE A 104 -6.922 10.048 -2.549 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.876 12.135 -1.895 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.038 9.346 -1.720 1.00 0.00 C ATOM 789 CE2 PHE A 104 -4.994 11.433 -1.066 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.074 10.039 -0.978 1.00 0.00 C ATOM 0 H PHE A 104 -7.933 11.515 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.774 10.408 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.281 13.077 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.615 12.622 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.666 9.513 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.811 13.211 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.100 8.270 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.251 11.968 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.393 9.498 -0.338 1.00 0.00 H new ATOM 791 N ASP A 105 -10.078 10.233 -3.296 1.00 0.00 N ATOM 792 CA ASP A 105 -11.484 9.893 -2.950 1.00 0.00 C ATOM 793 C ASP A 105 -12.017 8.850 -3.932 1.00 0.00 C ATOM 794 O ASP A 105 -13.182 8.506 -3.913 1.00 0.00 O ATOM 795 CB ASP A 105 -12.348 11.153 -3.024 1.00 0.00 C ATOM 796 CG ASP A 105 -13.051 11.368 -1.683 1.00 0.00 C ATOM 797 OD1 ASP A 105 -12.409 11.866 -0.773 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.220 11.031 -1.588 1.00 0.00 O ATOM 0 H ASP A 105 -9.371 9.830 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.519 9.488 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.729 12.017 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.085 11.056 -3.822 1.00 0.00 H new ATOM 799 N TYR A 106 -11.174 8.338 -4.784 1.00 0.00 N ATOM 800 CA TYR A 106 -11.648 7.310 -5.755 1.00 0.00 C ATOM 801 C TYR A 106 -10.956 5.983 -5.474 1.00 0.00 C ATOM 802 O TYR A 106 -10.530 5.716 -4.368 1.00 0.00 O ATOM 803 CB TYR A 106 -11.334 7.734 -7.187 1.00 0.00 C ATOM 804 CG TYR A 106 -11.392 9.231 -7.303 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.613 9.902 -7.166 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.223 9.945 -7.557 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.658 11.296 -7.283 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.266 11.333 -7.676 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.484 12.013 -7.538 1.00 0.00 C ATOM 810 OH TYR A 106 -11.526 13.386 -7.657 1.00 0.00 O ATOM 0 H TYR A 106 -10.186 8.583 -4.851 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.727 7.204 -5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.345 7.377 -7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.047 7.280 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.518 9.346 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.283 9.423 -7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.598 11.817 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.360 11.885 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.253 13.740 -7.103 1.00 0.00 H new ATOM 811 N TRP A 107 -10.838 5.154 -6.474 1.00 0.00 N ATOM 812 CA TRP A 107 -10.181 3.832 -6.283 1.00 0.00 C ATOM 813 C TRP A 107 -10.899 3.057 -5.168 1.00 0.00 C ATOM 814 O TRP A 107 -11.393 3.630 -4.220 1.00 0.00 O ATOM 815 CB TRP A 107 -8.718 4.037 -5.921 1.00 0.00 C ATOM 816 CG TRP A 107 -8.133 5.078 -6.827 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.229 6.407 -6.624 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.394 4.912 -8.074 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.572 7.068 -7.638 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.040 6.198 -8.557 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.988 3.794 -8.830 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.311 6.362 -9.740 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.259 3.961 -10.019 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.920 5.239 -10.471 1.00 0.00 C ATOM 0 H TRP A 107 -11.171 5.337 -7.421 1.00 0.00 H new ATOM 0 HA TRP A 107 -10.240 3.258 -7.208 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.628 4.349 -4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.170 3.100 -6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.740 6.879 -5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.490 8.083 -7.699 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.240 2.800 -8.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.052 7.352 -10.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.958 3.094 -10.589 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.356 5.358 -11.385 1.00 0.00 H new ATOM 825 N GLY A 108 -10.972 1.759 -5.271 1.00 0.00 N ATOM 826 CA GLY A 108 -11.670 0.980 -4.209 1.00 0.00 C ATOM 827 C GLY A 108 -12.055 -0.399 -4.744 1.00 0.00 C ATOM 828 O GLY A 108 -12.805 -0.524 -5.690 1.00 0.00 O ATOM 0 H GLY A 108 -10.583 1.208 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.023 0.874 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.561 1.514 -3.880 1.00 0.00 H new ATOM 829 N GLN A 109 -11.544 -1.430 -4.134 1.00 0.00 N ATOM 830 CA GLN A 109 -11.864 -2.813 -4.582 1.00 0.00 C ATOM 831 C GLN A 109 -10.860 -3.769 -3.941 1.00 0.00 C ATOM 832 O GLN A 109 -11.197 -4.863 -3.533 1.00 0.00 O ATOM 833 CB GLN A 109 -11.761 -2.912 -6.107 1.00 0.00 C ATOM 834 CG GLN A 109 -11.770 -4.384 -6.523 1.00 0.00 C ATOM 835 CD GLN A 109 -11.833 -4.485 -8.048 1.00 0.00 C ATOM 836 OE1 GLN A 109 -11.926 -3.485 -8.731 1.00 0.00 O ATOM 837 NE2 GLN A 109 -11.786 -5.661 -8.614 1.00 0.00 N ATOM 0 H GLN A 109 -10.912 -1.373 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.880 -3.071 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -12.594 -2.386 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.846 -2.431 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.875 -4.883 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.626 -4.893 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.708 -6.501 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.827 -5.740 -9.630 1.00 0.00 H new ATOM 838 N GLY A 110 -9.627 -3.354 -3.841 1.00 0.00 N ATOM 839 CA GLY A 110 -8.594 -4.224 -3.218 1.00 0.00 C ATOM 840 C GLY A 110 -8.047 -5.205 -4.253 1.00 0.00 C ATOM 841 O GLY A 110 -8.723 -5.589 -5.186 1.00 0.00 O ATOM 0 H GLY A 110 -9.291 -2.447 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.784 -3.613 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.024 -4.770 -2.378 1.00 0.00 H new ATOM 842 N THR A 111 -6.827 -5.625 -4.078 1.00 0.00 N ATOM 843 CA THR A 111 -6.218 -6.596 -5.024 1.00 0.00 C ATOM 844 C THR A 111 -5.260 -7.472 -4.225 1.00 0.00 C ATOM 845 O THR A 111 -5.475 -7.700 -3.053 1.00 0.00 O ATOM 846 CB THR A 111 -5.470 -5.857 -6.135 1.00 0.00 C ATOM 847 OG1 THR A 111 -5.199 -6.758 -7.200 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.161 -5.305 -5.587 1.00 0.00 C ATOM 0 H THR A 111 -6.220 -5.333 -3.312 1.00 0.00 H new ATOM 0 HA THR A 111 -6.987 -7.207 -5.496 1.00 0.00 H new ATOM 0 HB THR A 111 -6.083 -5.034 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.721 -6.286 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.628 -4.779 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.371 -4.615 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.545 -6.126 -5.219 1.00 0.00 H new ATOM 849 N LEU A 112 -4.212 -7.976 -4.815 1.00 0.00 N ATOM 850 CA LEU A 112 -3.312 -8.842 -4.008 1.00 0.00 C ATOM 851 C LEU A 112 -2.160 -9.396 -4.835 1.00 0.00 C ATOM 852 O LEU A 112 -1.908 -8.997 -5.952 1.00 0.00 O ATOM 853 CB LEU A 112 -4.131 -10.032 -3.540 1.00 0.00 C ATOM 854 CG LEU A 112 -4.571 -10.788 -4.792 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.626 -11.969 -5.027 1.00 0.00 C ATOM 856 CD2 LEU A 112 -6.003 -11.300 -4.613 1.00 0.00 C ATOM 0 H LEU A 112 -3.946 -7.832 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.904 -8.248 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.540 -10.675 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.996 -9.703 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.538 -10.118 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.937 -12.511 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.609 -11.600 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.658 -12.638 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.312 -11.838 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.045 -11.970 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.673 -10.456 -4.448 1.00 0.00 H new ATOM 857 N VAL A 113 -1.489 -10.355 -4.266 1.00 0.00 N ATOM 858 CA VAL A 113 -0.361 -11.026 -4.954 1.00 0.00 C ATOM 859 C VAL A 113 0.036 -12.250 -4.144 1.00 0.00 C ATOM 860 O VAL A 113 -0.100 -12.279 -2.931 1.00 0.00 O ATOM 861 CB VAL A 113 0.837 -10.095 -5.081 1.00 0.00 C ATOM 862 CG1 VAL A 113 0.953 -9.662 -6.533 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.656 -8.865 -4.190 1.00 0.00 C ATOM 0 H VAL A 113 -1.683 -10.709 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.676 -11.311 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 113 1.741 -10.616 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.806 -8.993 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.093 -10.539 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.043 -9.142 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.521 -8.210 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.243 -8.327 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.561 -9.179 -3.151 1.00 0.00 H new ATOM 864 N THR A 114 0.506 -13.269 -4.803 1.00 0.00 N ATOM 865 CA THR A 114 0.888 -14.505 -4.079 1.00 0.00 C ATOM 866 C THR A 114 2.405 -14.615 -3.948 1.00 0.00 C ATOM 867 O THR A 114 3.074 -15.140 -4.816 1.00 0.00 O ATOM 868 CB THR A 114 0.365 -15.715 -4.847 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.637 -15.297 -5.765 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.225 -16.707 -3.857 1.00 0.00 C ATOM 0 H THR A 114 0.642 -13.297 -5.814 1.00 0.00 H new ATOM 0 HA THR A 114 0.454 -14.470 -3.080 1.00 0.00 H new ATOM 0 HB THR A 114 1.178 -16.186 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.972 -16.074 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.602 -17.577 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.546 -17.022 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.042 -16.235 -3.312 1.00 0.00 H new ATOM 871 N VAL A 115 2.949 -14.158 -2.856 1.00 0.00 N ATOM 872 CA VAL A 115 4.425 -14.280 -2.668 1.00 0.00 C ATOM 873 C VAL A 115 4.792 -15.740 -2.894 1.00 0.00 C ATOM 874 O VAL A 115 4.518 -16.589 -2.069 1.00 0.00 O ATOM 875 CB VAL A 115 4.840 -13.870 -1.248 1.00 0.00 C ATOM 876 CG1 VAL A 115 6.148 -13.088 -1.306 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.772 -12.991 -0.607 1.00 0.00 C ATOM 0 H VAL A 115 2.444 -13.710 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 115 4.939 -13.622 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 115 4.964 -14.774 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.443 -12.797 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.926 -13.712 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.011 -12.195 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.086 -12.712 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.633 -12.091 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.832 -13.540 -0.554 1.00 0.00 H new