USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 882 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 64 TYR OH : rot -132:sc= 1.99 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.778 USER MOD Set 2.1: A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.047) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00436 K(o=-0.0044,f=-0.63) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= -0.0713 (180deg=-0.4) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.896 (180deg=-2.15!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.42) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.65! USER MOD Single : A 66 ASN : amide:sc= -2.21 K(o=-2.2,f=-6!) USER MOD Single : A 69 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.386 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.967 -36.184 4.913 1.00 0.00 N ATOM 2 CA MET A 1 -9.080 -35.027 5.847 1.00 0.00 C ATOM 3 C MET A 1 -8.544 -35.430 7.223 1.00 0.00 C ATOM 4 O MET A 1 -9.117 -35.102 8.243 1.00 0.00 O ATOM 5 CB MET A 1 -10.547 -34.613 5.971 1.00 0.00 C ATOM 6 CG MET A 1 -10.633 -33.178 6.493 1.00 0.00 C ATOM 7 SD MET A 1 -9.934 -32.046 5.266 1.00 0.00 S ATOM 8 CE MET A 1 -11.450 -31.122 4.918 1.00 0.00 C ATOM 0 H1 MET A 1 -9.452 -35.959 4.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.964 -36.379 4.722 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.407 -37.022 5.344 1.00 0.00 H new ATOM 0 HA MET A 1 -8.499 -34.189 5.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.040 -34.688 5.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.070 -35.289 6.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.671 -32.915 6.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.092 -33.089 7.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.245 -30.355 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.212 -31.803 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.807 -30.650 5.834 1.00 0.00 H new ATOM 20 N THR A 2 -7.449 -36.139 7.260 1.00 0.00 N ATOM 21 CA THR A 2 -6.878 -36.561 8.569 1.00 0.00 C ATOM 22 C THR A 2 -5.362 -36.347 8.558 1.00 0.00 C ATOM 23 O THR A 2 -4.729 -36.375 7.520 1.00 0.00 O ATOM 24 CB THR A 2 -7.182 -38.043 8.807 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.542 -38.655 7.575 1.00 0.00 O ATOM 26 CG2 THR A 2 -8.333 -38.174 9.807 1.00 0.00 C ATOM 0 H THR A 2 -6.925 -36.444 6.440 1.00 0.00 H new ATOM 0 HA THR A 2 -7.324 -35.967 9.367 1.00 0.00 H new ATOM 0 HB THR A 2 -6.298 -38.538 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.735 -39.604 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.549 -39.229 9.976 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.051 -37.705 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.220 -37.681 9.408 1.00 0.00 H new ATOM 34 N VAL A 3 -4.776 -36.132 9.704 1.00 0.00 N ATOM 35 CA VAL A 3 -3.303 -35.915 9.760 1.00 0.00 C ATOM 36 C VAL A 3 -2.589 -37.035 9.001 1.00 0.00 C ATOM 37 O VAL A 3 -2.871 -38.202 9.187 1.00 0.00 O ATOM 38 CB VAL A 3 -2.848 -35.915 11.220 1.00 0.00 C ATOM 39 CG1 VAL A 3 -3.431 -34.697 11.937 1.00 0.00 C ATOM 40 CG2 VAL A 3 -3.343 -37.192 11.905 1.00 0.00 C ATOM 0 H VAL A 3 -5.254 -36.097 10.604 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.058 -34.957 9.301 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.760 -35.875 11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.106 -34.697 12.978 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.083 -33.787 11.449 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.519 -34.737 11.896 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.020 -37.195 12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.432 -37.229 11.863 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.930 -38.062 11.395 1.00 0.00 H new ATOM 50 N ILE A 4 -1.663 -36.690 8.147 1.00 0.00 N ATOM 51 CA ILE A 4 -0.931 -37.734 7.376 1.00 0.00 C ATOM 52 C ILE A 4 0.576 -37.565 7.590 1.00 0.00 C ATOM 53 O ILE A 4 1.255 -36.929 6.809 1.00 0.00 O ATOM 54 CB ILE A 4 -1.252 -37.586 5.888 1.00 0.00 C ATOM 55 CG1 ILE A 4 -2.744 -37.847 5.661 1.00 0.00 C ATOM 56 CG2 ILE A 4 -0.432 -38.597 5.085 1.00 0.00 C ATOM 57 CD1 ILE A 4 -3.405 -36.582 5.110 1.00 0.00 C ATOM 0 H ILE A 4 -1.382 -35.729 7.950 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.239 -38.722 7.720 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.004 -36.576 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.877 -38.673 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.219 -38.140 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.661 -38.491 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.630 -38.414 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.680 -39.607 5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.467 -36.767 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.283 -35.767 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.936 -36.309 4.165 1.00 0.00 H new ATOM 69 N LYS A 5 1.104 -38.131 8.641 1.00 0.00 N ATOM 70 CA LYS A 5 2.566 -38.004 8.900 1.00 0.00 C ATOM 71 C LYS A 5 3.145 -39.377 9.254 1.00 0.00 C ATOM 72 O LYS A 5 2.474 -40.193 9.855 1.00 0.00 O ATOM 73 CB LYS A 5 2.796 -37.040 10.067 1.00 0.00 C ATOM 74 CG LYS A 5 2.474 -35.613 9.625 1.00 0.00 C ATOM 75 CD LYS A 5 3.065 -34.620 10.629 1.00 0.00 C ATOM 76 CE LYS A 5 1.991 -33.614 11.044 1.00 0.00 C ATOM 77 NZ LYS A 5 2.263 -33.139 12.430 1.00 0.00 N ATOM 0 H LYS A 5 0.586 -38.675 9.331 1.00 0.00 H new ATOM 0 HA LYS A 5 3.059 -37.620 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.167 -37.320 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.831 -37.102 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.883 -35.428 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.395 -35.477 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.439 -35.151 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.914 -34.100 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.982 -32.770 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.005 -34.077 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.532 -32.455 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.250 -33.948 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.197 -32.682 12.463 1.00 0.00 H new ATOM 91 N PRO A 6 4.378 -39.589 8.870 1.00 0.00 N ATOM 92 CA PRO A 6 5.085 -40.855 9.131 1.00 0.00 C ATOM 93 C PRO A 6 5.584 -40.894 10.578 1.00 0.00 C ATOM 94 O PRO A 6 5.298 -40.014 11.366 1.00 0.00 O ATOM 95 CB PRO A 6 6.260 -40.819 8.151 1.00 0.00 C ATOM 96 CG PRO A 6 6.490 -39.330 7.799 1.00 0.00 C ATOM 97 CD PRO A 6 5.182 -38.588 8.138 1.00 0.00 C ATOM 0 HA PRO A 6 4.455 -41.735 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.153 -41.254 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.037 -41.400 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.325 -38.922 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.738 -39.215 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.371 -37.705 8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.671 -38.249 7.237 1.00 0.00 H new ATOM 105 N SER A 7 6.327 -41.906 10.935 1.00 0.00 N ATOM 106 CA SER A 7 6.838 -41.993 12.332 1.00 0.00 C ATOM 107 C SER A 7 7.674 -43.264 12.495 1.00 0.00 C ATOM 108 O SER A 7 8.826 -43.215 12.880 1.00 0.00 O ATOM 109 CB SER A 7 5.658 -42.030 13.302 1.00 0.00 C ATOM 110 OG SER A 7 6.120 -42.419 14.589 1.00 0.00 O ATOM 0 H SER A 7 6.601 -42.674 10.322 1.00 0.00 H new ATOM 0 HA SER A 7 7.459 -41.123 12.546 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.184 -41.050 13.354 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.902 -42.731 12.947 1.00 0.00 H new ATOM 0 HG SER A 7 5.366 -42.442 15.214 1.00 0.00 H new ATOM 116 N SER A 8 7.104 -44.402 12.211 1.00 0.00 N ATOM 117 CA SER A 8 7.869 -45.673 12.355 1.00 0.00 C ATOM 118 C SER A 8 8.446 -46.082 10.998 1.00 0.00 C ATOM 119 O SER A 8 9.498 -46.685 10.917 1.00 0.00 O ATOM 120 CB SER A 8 6.934 -46.772 12.863 1.00 0.00 C ATOM 121 OG SER A 8 6.348 -47.440 11.753 1.00 0.00 O ATOM 0 H SER A 8 6.143 -44.507 11.886 1.00 0.00 H new ATOM 0 HA SER A 8 8.683 -45.528 13.065 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.488 -47.481 13.478 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.157 -46.341 13.495 1.00 0.00 H new ATOM 0 HG SER A 8 5.750 -48.146 12.075 1.00 0.00 H new ATOM 127 N ARG A 9 7.766 -45.761 9.932 1.00 0.00 N ATOM 128 CA ARG A 9 8.276 -46.133 8.583 1.00 0.00 C ATOM 129 C ARG A 9 8.367 -47.658 8.476 1.00 0.00 C ATOM 130 O ARG A 9 9.412 -48.233 8.707 1.00 0.00 O ATOM 131 CB ARG A 9 9.664 -45.523 8.375 1.00 0.00 C ATOM 132 CG ARG A 9 9.629 -44.041 8.752 1.00 0.00 C ATOM 133 CD ARG A 9 10.962 -43.387 8.379 1.00 0.00 C ATOM 134 NE ARG A 9 11.637 -42.900 9.615 1.00 0.00 N ATOM 135 CZ ARG A 9 12.691 -43.521 10.070 1.00 0.00 C ATOM 136 NH1 ARG A 9 13.878 -43.192 9.640 1.00 0.00 N ATOM 137 NH2 ARG A 9 12.557 -44.470 10.956 1.00 0.00 N ATOM 0 H ARG A 9 6.879 -45.257 9.937 1.00 0.00 H new ATOM 0 HA ARG A 9 7.596 -45.754 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.399 -46.048 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.972 -45.638 7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.810 -43.542 8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.444 -43.931 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.599 -44.104 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.793 -42.557 7.693 1.00 0.00 H new ATOM 0 HE ARG A 9 11.276 -42.082 10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.982 -42.450 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.702 -43.677 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.629 -44.726 11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.380 -44.956 11.312 1.00 0.00 H new ATOM 151 N PRO A 10 7.262 -48.267 8.128 1.00 0.00 N ATOM 152 CA PRO A 10 7.172 -49.730 7.981 1.00 0.00 C ATOM 153 C PRO A 10 7.783 -50.170 6.647 1.00 0.00 C ATOM 154 O PRO A 10 7.301 -49.822 5.588 1.00 0.00 O ATOM 155 CB PRO A 10 5.665 -50.001 8.009 1.00 0.00 C ATOM 156 CG PRO A 10 4.975 -48.677 7.602 1.00 0.00 C ATOM 157 CD PRO A 10 5.998 -47.552 7.851 1.00 0.00 C ATOM 0 HA PRO A 10 7.712 -50.275 8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.402 -50.804 7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.345 -50.316 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.675 -48.703 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.071 -48.515 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.091 -46.899 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.703 -46.924 8.692 1.00 0.00 H new ATOM 165 N ARG A 11 8.842 -50.931 6.692 1.00 0.00 N ATOM 166 CA ARG A 11 9.484 -51.390 5.428 1.00 0.00 C ATOM 167 C ARG A 11 9.582 -50.214 4.452 1.00 0.00 C ATOM 168 O ARG A 11 9.013 -50.253 3.378 1.00 0.00 O ATOM 169 CB ARG A 11 8.639 -52.502 4.802 1.00 0.00 C ATOM 170 CG ARG A 11 9.482 -53.272 3.784 1.00 0.00 C ATOM 171 CD ARG A 11 8.568 -54.139 2.916 1.00 0.00 C ATOM 172 NE ARG A 11 9.293 -55.375 2.509 1.00 0.00 N ATOM 173 CZ ARG A 11 8.818 -56.547 2.830 1.00 0.00 C ATOM 174 NH1 ARG A 11 9.079 -57.059 4.001 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.080 -57.207 1.980 1.00 0.00 N ATOM 0 H ARG A 11 9.290 -51.255 7.549 1.00 0.00 H new ATOM 0 HA ARG A 11 10.483 -51.770 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.278 -53.178 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.761 -52.076 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.042 -52.576 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.212 -53.897 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.665 -54.400 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.252 -53.583 2.033 1.00 0.00 H new ATOM 0 HE ARG A 11 10.162 -55.305 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.655 -56.543 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.707 -57.975 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.875 -56.807 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.709 -58.123 2.231 1.00 0.00 H new ATOM 189 N PRO A 12 10.305 -49.201 4.856 1.00 0.00 N ATOM 190 CA PRO A 12 10.502 -47.990 4.041 1.00 0.00 C ATOM 191 C PRO A 12 11.542 -48.244 2.947 1.00 0.00 C ATOM 192 O PRO A 12 12.310 -49.183 3.012 1.00 0.00 O ATOM 193 CB PRO A 12 11.016 -46.958 5.049 1.00 0.00 C ATOM 194 CG PRO A 12 11.617 -47.761 6.226 1.00 0.00 C ATOM 195 CD PRO A 12 10.992 -49.167 6.165 1.00 0.00 C ATOM 0 HA PRO A 12 9.595 -47.667 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.768 -46.312 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.207 -46.313 5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.702 -47.816 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.394 -47.279 7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.753 -49.945 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.293 -49.328 6.986 1.00 0.00 H new ATOM 203 N ARG A 13 11.574 -47.410 1.945 1.00 0.00 N ATOM 204 CA ARG A 13 12.564 -47.597 0.849 1.00 0.00 C ATOM 205 C ARG A 13 13.951 -47.189 1.347 1.00 0.00 C ATOM 206 O ARG A 13 14.091 -46.311 2.176 1.00 0.00 O ATOM 207 CB ARG A 13 12.169 -46.725 -0.345 1.00 0.00 C ATOM 208 CG ARG A 13 13.334 -46.646 -1.333 1.00 0.00 C ATOM 209 CD ARG A 13 12.913 -45.827 -2.554 1.00 0.00 C ATOM 210 NE ARG A 13 13.344 -46.529 -3.796 1.00 0.00 N ATOM 211 CZ ARG A 13 12.536 -46.605 -4.818 1.00 0.00 C ATOM 212 NH1 ARG A 13 11.618 -45.694 -4.993 1.00 0.00 N ATOM 213 NH2 ARG A 13 12.645 -47.592 -5.665 1.00 0.00 N ATOM 0 H ARG A 13 10.956 -46.606 1.838 1.00 0.00 H new ATOM 0 HA ARG A 13 12.581 -48.643 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.290 -47.141 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.900 -45.725 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.200 -46.187 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.633 -47.648 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.832 -45.690 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.360 -44.834 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 13 14.271 -46.950 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.532 -44.923 -4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.986 -45.753 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.362 -48.304 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.013 -47.651 -6.464 1.00 0.00 H new ATOM 227 N LYS A 14 14.979 -47.820 0.852 1.00 0.00 N ATOM 228 CA LYS A 14 16.356 -47.469 1.299 1.00 0.00 C ATOM 229 C LYS A 14 16.534 -45.950 1.263 1.00 0.00 C ATOM 230 O LYS A 14 15.958 -45.267 0.439 1.00 0.00 O ATOM 231 CB LYS A 14 17.378 -48.123 0.368 1.00 0.00 C ATOM 232 CG LYS A 14 17.187 -49.641 0.386 1.00 0.00 C ATOM 233 CD LYS A 14 17.970 -50.238 1.557 1.00 0.00 C ATOM 234 CE LYS A 14 17.215 -51.443 2.118 1.00 0.00 C ATOM 235 NZ LYS A 14 17.920 -51.951 3.328 1.00 0.00 N ATOM 0 H LYS A 14 14.925 -48.564 0.157 1.00 0.00 H new ATOM 0 HA LYS A 14 16.509 -47.829 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.257 -47.743 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.389 -47.869 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.129 -49.884 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.531 -50.073 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.964 -50.540 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.108 -49.488 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.193 -51.160 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.151 -52.228 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.407 -52.771 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.887 -52.236 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.959 -51.201 4.047 1.00 0.00 H new ATOM 249 N ASN A 15 17.329 -45.416 2.149 1.00 0.00 N ATOM 250 CA ASN A 15 17.546 -43.942 2.166 1.00 0.00 C ATOM 251 C ASN A 15 19.033 -43.644 1.966 1.00 0.00 C ATOM 252 O ASN A 15 19.856 -43.958 2.802 1.00 0.00 O ATOM 253 CB ASN A 15 17.086 -43.375 3.510 1.00 0.00 C ATOM 254 CG ASN A 15 15.580 -43.589 3.665 1.00 0.00 C ATOM 255 OD1 ASN A 15 14.792 -42.949 2.997 1.00 0.00 O ATOM 256 ND2 ASN A 15 15.143 -44.469 4.524 1.00 0.00 N ATOM 0 H ASN A 15 17.838 -45.937 2.863 1.00 0.00 H new ATOM 0 HA ASN A 15 16.973 -43.480 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.619 -43.864 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.321 -42.312 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.140 -44.619 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.804 -45.006 5.085 1.00 0.00 H new ATOM 263 N LYS A 16 19.383 -43.041 0.862 1.00 0.00 N ATOM 264 CA LYS A 16 20.816 -42.725 0.608 1.00 0.00 C ATOM 265 C LYS A 16 21.187 -41.424 1.323 1.00 0.00 C ATOM 266 O LYS A 16 20.362 -40.794 1.953 1.00 0.00 O ATOM 267 CB LYS A 16 21.043 -42.564 -0.896 1.00 0.00 C ATOM 268 CG LYS A 16 22.350 -43.250 -1.289 1.00 0.00 C ATOM 269 CD LYS A 16 22.614 -43.031 -2.780 1.00 0.00 C ATOM 270 CE LYS A 16 21.894 -44.110 -3.590 1.00 0.00 C ATOM 271 NZ LYS A 16 22.900 -44.951 -4.299 1.00 0.00 N ATOM 0 H LYS A 16 18.738 -42.754 0.126 1.00 0.00 H new ATOM 0 HA LYS A 16 21.439 -43.536 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.211 -42.999 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.082 -41.507 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.175 -42.849 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.293 -44.317 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.266 -42.043 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.685 -43.066 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.285 -44.729 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.217 -43.649 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.412 -45.685 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.462 -44.354 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.529 -45.401 -3.603 1.00 0.00 H new ATOM 285 N ASN A 17 22.423 -41.017 1.227 1.00 0.00 N ATOM 286 CA ASN A 17 22.845 -39.757 1.900 1.00 0.00 C ATOM 287 C ASN A 17 24.020 -39.142 1.137 1.00 0.00 C ATOM 288 O ASN A 17 24.897 -38.530 1.714 1.00 0.00 O ATOM 289 CB ASN A 17 23.273 -40.066 3.337 1.00 0.00 C ATOM 290 CG ASN A 17 22.872 -38.906 4.249 1.00 0.00 C ATOM 291 OD1 ASN A 17 22.902 -37.761 3.844 1.00 0.00 O ATOM 292 ND2 ASN A 17 22.494 -39.155 5.473 1.00 0.00 N ATOM 0 H ASN A 17 23.158 -41.502 0.712 1.00 0.00 H new ATOM 0 HA ASN A 17 22.013 -39.053 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 17 22.803 -40.989 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 24.351 -40.222 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.224 -38.388 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 17 22.469 -40.116 5.813 1.00 0.00 H new ATOM 299 N ILE A 18 24.042 -39.297 -0.158 1.00 0.00 N ATOM 300 CA ILE A 18 25.156 -38.720 -0.959 1.00 0.00 C ATOM 301 C ILE A 18 24.605 -37.636 -1.887 1.00 0.00 C ATOM 302 O ILE A 18 25.081 -37.449 -2.989 1.00 0.00 O ATOM 303 CB ILE A 18 25.808 -39.822 -1.796 1.00 0.00 C ATOM 304 CG1 ILE A 18 24.838 -40.266 -2.895 1.00 0.00 C ATOM 305 CG2 ILE A 18 26.141 -41.017 -0.900 1.00 0.00 C ATOM 306 CD1 ILE A 18 25.505 -41.335 -3.763 1.00 0.00 C ATOM 0 H ILE A 18 23.336 -39.799 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 18 25.898 -38.286 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 18 26.724 -39.441 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.924 -40.661 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.551 -39.412 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 18 26.605 -41.801 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.829 -40.703 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 18 25.226 -41.399 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 18 24.815 -41.651 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 18 26.406 -40.924 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 18 25.770 -42.193 -3.145 1.00 0.00 H new ATOM 318 N LYS A 19 23.603 -36.922 -1.452 1.00 0.00 N ATOM 319 CA LYS A 19 23.022 -35.854 -2.315 1.00 0.00 C ATOM 320 C LYS A 19 21.912 -35.127 -1.554 1.00 0.00 C ATOM 321 O LYS A 19 20.790 -35.588 -1.486 1.00 0.00 O ATOM 322 CB LYS A 19 22.441 -36.488 -3.580 1.00 0.00 C ATOM 323 CG LYS A 19 22.245 -35.412 -4.648 1.00 0.00 C ATOM 324 CD LYS A 19 23.243 -35.636 -5.787 1.00 0.00 C ATOM 325 CE LYS A 19 22.786 -34.863 -7.026 1.00 0.00 C ATOM 326 NZ LYS A 19 21.604 -35.543 -7.628 1.00 0.00 N ATOM 0 H LYS A 19 23.162 -37.031 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 19 23.801 -35.141 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 19 23.110 -37.265 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.489 -36.968 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.225 -35.447 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.389 -34.423 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.236 -35.305 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.317 -36.699 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.531 -33.839 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.596 -34.808 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.499 -35.245 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.739 -36.573 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.748 -35.286 -7.097 1.00 0.00 H new ATOM 340 N VAL A 20 22.213 -33.991 -0.986 1.00 0.00 N ATOM 341 CA VAL A 20 21.173 -33.236 -0.234 1.00 0.00 C ATOM 342 C VAL A 20 20.594 -32.142 -1.134 1.00 0.00 C ATOM 343 O VAL A 20 21.293 -31.542 -1.926 1.00 0.00 O ATOM 344 CB VAL A 20 21.800 -32.597 1.005 1.00 0.00 C ATOM 345 CG1 VAL A 20 22.923 -31.650 0.578 1.00 0.00 C ATOM 346 CG2 VAL A 20 20.732 -31.808 1.766 1.00 0.00 C ATOM 0 H VAL A 20 23.134 -33.554 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 20 20.379 -33.917 0.073 1.00 0.00 H new ATOM 0 HB VAL A 20 22.207 -33.376 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 20 23.370 -31.194 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 20 23.684 -32.210 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 20 22.516 -30.870 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 20 21.178 -31.352 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 20.326 -31.029 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 20 19.930 -32.481 2.070 1.00 0.00 H new ATOM 356 N ASN A 21 19.321 -31.879 -1.019 1.00 0.00 N ATOM 357 CA ASN A 21 18.701 -30.825 -1.869 1.00 0.00 C ATOM 358 C ASN A 21 19.016 -31.105 -3.340 1.00 0.00 C ATOM 359 O ASN A 21 19.974 -30.597 -3.886 1.00 0.00 O ATOM 360 CB ASN A 21 19.266 -29.457 -1.479 1.00 0.00 C ATOM 361 CG ASN A 21 18.123 -28.537 -1.049 1.00 0.00 C ATOM 362 OD1 ASN A 21 17.399 -28.021 -1.877 1.00 0.00 O ATOM 363 ND2 ASN A 21 17.928 -28.307 0.221 1.00 0.00 N ATOM 0 H ASN A 21 18.685 -32.348 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 21 17.621 -30.828 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 21 19.984 -29.567 -0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 21 19.802 -29.019 -2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.168 -27.694 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 21 18.535 -28.740 0.917 1.00 0.00 H new ATOM 370 N THR A 22 18.218 -31.911 -3.985 1.00 0.00 N ATOM 371 CA THR A 22 18.473 -32.223 -5.418 1.00 0.00 C ATOM 372 C THR A 22 17.826 -31.149 -6.297 1.00 0.00 C ATOM 373 O THR A 22 18.490 -30.471 -7.054 1.00 0.00 O ATOM 374 CB THR A 22 17.873 -33.591 -5.758 1.00 0.00 C ATOM 375 OG1 THR A 22 18.505 -34.593 -4.973 1.00 0.00 O ATOM 376 CG2 THR A 22 18.091 -33.890 -7.242 1.00 0.00 C ATOM 0 H THR A 22 17.400 -32.367 -3.581 1.00 0.00 H new ATOM 0 HA THR A 22 19.548 -32.243 -5.600 1.00 0.00 H new ATOM 0 HB THR A 22 16.804 -33.583 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 22 18.121 -35.468 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.664 -34.863 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.605 -33.121 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.159 -33.899 -7.458 1.00 0.00 H new ATOM 384 N TYR A 23 16.534 -30.989 -6.201 1.00 0.00 N ATOM 385 CA TYR A 23 15.848 -29.957 -7.031 1.00 0.00 C ATOM 386 C TYR A 23 16.539 -28.606 -6.835 1.00 0.00 C ATOM 387 O TYR A 23 17.424 -28.463 -6.015 1.00 0.00 O ATOM 388 CB TYR A 23 14.383 -29.849 -6.602 1.00 0.00 C ATOM 389 CG TYR A 23 13.550 -30.819 -7.405 1.00 0.00 C ATOM 390 CD1 TYR A 23 13.264 -30.550 -8.751 1.00 0.00 C ATOM 391 CD2 TYR A 23 13.061 -31.987 -6.805 1.00 0.00 C ATOM 392 CE1 TYR A 23 12.490 -31.451 -9.496 1.00 0.00 C ATOM 393 CE2 TYR A 23 12.287 -32.887 -7.551 1.00 0.00 C ATOM 394 CZ TYR A 23 12.002 -32.619 -8.896 1.00 0.00 C ATOM 395 OH TYR A 23 11.240 -33.505 -9.630 1.00 0.00 O ATOM 0 H TYR A 23 15.924 -31.527 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 23 15.898 -30.242 -8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 23 14.288 -30.066 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 23 14.023 -28.832 -6.754 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.640 -29.649 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.280 -32.194 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.270 -31.244 -10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.910 -33.787 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 23 10.983 -34.263 -9.064 1.00 0.00 H new ATOM 405 N ARG A 24 16.142 -27.612 -7.581 1.00 0.00 N ATOM 406 CA ARG A 24 16.778 -26.272 -7.435 1.00 0.00 C ATOM 407 C ARG A 24 15.749 -25.181 -7.738 1.00 0.00 C ATOM 408 O ARG A 24 14.904 -25.332 -8.597 1.00 0.00 O ATOM 409 CB ARG A 24 17.950 -26.153 -8.411 1.00 0.00 C ATOM 410 CG ARG A 24 19.199 -26.778 -7.787 1.00 0.00 C ATOM 411 CD ARG A 24 20.426 -26.419 -8.628 1.00 0.00 C ATOM 412 NE ARG A 24 20.661 -24.948 -8.563 1.00 0.00 N ATOM 413 CZ ARG A 24 21.353 -24.354 -9.497 1.00 0.00 C ATOM 414 NH1 ARG A 24 20.898 -24.314 -10.719 1.00 0.00 N ATOM 415 NH2 ARG A 24 22.498 -23.801 -9.208 1.00 0.00 N ATOM 0 H ARG A 24 15.406 -27.669 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 24 17.142 -26.154 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.709 -26.655 -9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 24 18.134 -25.105 -8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.327 -26.418 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 19.087 -27.861 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.301 -26.954 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.274 -26.728 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 24 20.281 -24.405 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 24 20.002 -24.747 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.438 -23.850 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.853 -23.833 -8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.039 -23.337 -9.938 1.00 0.00 H new ATOM 429 N THR A 25 15.816 -24.081 -7.037 1.00 0.00 N ATOM 430 CA THR A 25 14.841 -22.981 -7.284 1.00 0.00 C ATOM 431 C THR A 25 13.418 -23.528 -7.176 1.00 0.00 C ATOM 432 O THR A 25 12.829 -23.953 -8.151 1.00 0.00 O ATOM 433 CB THR A 25 15.064 -22.403 -8.683 1.00 0.00 C ATOM 434 OG1 THR A 25 16.280 -21.669 -8.702 1.00 0.00 O ATOM 435 CG2 THR A 25 13.902 -21.478 -9.046 1.00 0.00 C ATOM 0 H THR A 25 16.503 -23.897 -6.305 1.00 0.00 H new ATOM 0 HA THR A 25 14.985 -22.195 -6.542 1.00 0.00 H new ATOM 0 HB THR A 25 15.118 -23.215 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.425 -21.300 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.062 -21.067 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.970 -22.042 -9.032 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.845 -20.664 -8.323 1.00 0.00 H new ATOM 443 N SER A 26 12.860 -23.519 -5.998 1.00 0.00 N ATOM 444 CA SER A 26 11.474 -24.037 -5.826 1.00 0.00 C ATOM 445 C SER A 26 10.674 -23.071 -4.950 1.00 0.00 C ATOM 446 O SER A 26 9.905 -23.477 -4.103 1.00 0.00 O ATOM 447 CB SER A 26 11.525 -25.411 -5.157 1.00 0.00 C ATOM 448 OG SER A 26 10.407 -26.181 -5.581 1.00 0.00 O ATOM 0 H SER A 26 13.304 -23.175 -5.146 1.00 0.00 H new ATOM 0 HA SER A 26 10.994 -24.125 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.452 -25.921 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.515 -25.301 -4.073 1.00 0.00 H new ATOM 0 HG SER A 26 10.437 -27.063 -5.155 1.00 0.00 H new ATOM 454 N ALA A 27 10.850 -21.791 -5.148 1.00 0.00 N ATOM 455 CA ALA A 27 10.098 -20.800 -4.327 1.00 0.00 C ATOM 456 C ALA A 27 9.099 -20.057 -5.215 1.00 0.00 C ATOM 457 O ALA A 27 9.472 -19.262 -6.055 1.00 0.00 O ATOM 458 CB ALA A 27 11.077 -19.798 -3.712 1.00 0.00 C ATOM 0 H ALA A 27 11.481 -21.390 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 27 9.563 -21.319 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.527 -19.073 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.790 -20.327 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.613 -19.279 -4.506 1.00 0.00 H new ATOM 464 N MET A 28 7.831 -20.306 -5.036 1.00 0.00 N ATOM 465 CA MET A 28 6.809 -19.614 -5.871 1.00 0.00 C ATOM 466 C MET A 28 6.641 -18.173 -5.383 1.00 0.00 C ATOM 467 O MET A 28 6.329 -17.929 -4.234 1.00 0.00 O ATOM 468 CB MET A 28 5.472 -20.349 -5.756 1.00 0.00 C ATOM 469 CG MET A 28 5.609 -21.754 -6.342 1.00 0.00 C ATOM 470 SD MET A 28 4.227 -22.780 -5.782 1.00 0.00 S ATOM 471 CE MET A 28 4.310 -24.016 -7.100 1.00 0.00 C ATOM 0 H MET A 28 7.458 -20.959 -4.347 1.00 0.00 H new ATOM 0 HA MET A 28 7.134 -19.610 -6.912 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.166 -20.408 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.695 -19.797 -6.285 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.622 -21.706 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.555 -22.198 -6.032 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.530 -24.762 -6.949 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.165 -23.530 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.285 -24.502 -7.082 1.00 0.00 H new ATOM 481 N ASP A 29 6.845 -17.217 -6.247 1.00 0.00 N ATOM 482 CA ASP A 29 6.695 -15.793 -5.832 1.00 0.00 C ATOM 483 C ASP A 29 5.814 -15.052 -6.840 1.00 0.00 C ATOM 484 O ASP A 29 5.550 -13.875 -6.699 1.00 0.00 O ATOM 485 CB ASP A 29 8.073 -15.130 -5.777 1.00 0.00 C ATOM 486 CG ASP A 29 8.910 -15.777 -4.672 1.00 0.00 C ATOM 487 OD1 ASP A 29 8.843 -16.988 -4.537 1.00 0.00 O ATOM 488 OD2 ASP A 29 9.602 -15.051 -3.978 1.00 0.00 O ATOM 0 H ASP A 29 7.109 -17.360 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 29 6.230 -15.752 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.577 -15.235 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.967 -14.062 -5.588 1.00 0.00 H new ATOM 493 N LEU A 30 5.355 -15.731 -7.858 1.00 0.00 N ATOM 494 CA LEU A 30 4.493 -15.060 -8.870 1.00 0.00 C ATOM 495 C LEU A 30 5.262 -13.896 -9.499 1.00 0.00 C ATOM 496 O LEU A 30 5.397 -12.840 -8.913 1.00 0.00 O ATOM 497 CB LEU A 30 3.229 -14.529 -8.190 1.00 0.00 C ATOM 498 CG LEU A 30 1.999 -14.943 -9.001 1.00 0.00 C ATOM 499 CD1 LEU A 30 2.128 -14.412 -10.430 1.00 0.00 C ATOM 500 CD2 LEU A 30 1.899 -16.470 -9.033 1.00 0.00 C ATOM 0 H LEU A 30 5.540 -16.719 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 30 4.215 -15.774 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.157 -14.921 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.276 -13.443 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 30 1.103 -14.529 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.252 -14.707 -11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.200 -13.325 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.024 -14.826 -10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.023 -16.765 -9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.795 -16.884 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.808 -16.850 -8.015 1.00 0.00 H new ATOM 512 N SER A 31 5.772 -14.081 -10.686 1.00 0.00 N ATOM 513 CA SER A 31 6.537 -12.986 -11.348 1.00 0.00 C ATOM 514 C SER A 31 5.655 -12.305 -12.399 1.00 0.00 C ATOM 515 O SER A 31 4.787 -12.928 -12.977 1.00 0.00 O ATOM 516 CB SER A 31 7.778 -13.571 -12.024 1.00 0.00 C ATOM 517 OG SER A 31 8.191 -14.735 -11.321 1.00 0.00 O ATOM 0 H SER A 31 5.692 -14.943 -11.226 1.00 0.00 H new ATOM 0 HA SER A 31 6.840 -12.252 -10.601 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.558 -13.818 -13.063 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.582 -12.835 -12.035 1.00 0.00 H new ATOM 0 HG SER A 31 8.985 -15.113 -11.753 1.00 0.00 H new ATOM 523 N PRO A 32 5.908 -11.039 -12.614 1.00 0.00 N ATOM 524 CA PRO A 32 5.155 -10.230 -13.590 1.00 0.00 C ATOM 525 C PRO A 32 5.652 -10.507 -15.011 1.00 0.00 C ATOM 526 O PRO A 32 6.604 -11.233 -15.218 1.00 0.00 O ATOM 527 CB PRO A 32 5.469 -8.789 -13.179 1.00 0.00 C ATOM 528 CG PRO A 32 6.797 -8.841 -12.385 1.00 0.00 C ATOM 529 CD PRO A 32 6.966 -10.294 -11.901 1.00 0.00 C ATOM 0 HA PRO A 32 4.087 -10.447 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.565 -8.147 -14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.667 -8.376 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.636 -8.542 -13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.770 -8.152 -11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.956 -10.681 -12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.847 -10.370 -10.820 1.00 0.00 H new ATOM 537 N GLY A 33 5.011 -9.933 -15.991 1.00 0.00 N ATOM 538 CA GLY A 33 5.444 -10.158 -17.399 1.00 0.00 C ATOM 539 C GLY A 33 4.326 -10.865 -18.168 1.00 0.00 C ATOM 540 O GLY A 33 4.555 -11.479 -19.191 1.00 0.00 O ATOM 0 H GLY A 33 4.206 -9.317 -15.878 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.682 -9.206 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.352 -10.761 -17.420 1.00 0.00 H new ATOM 544 N SER A 34 3.118 -10.783 -17.684 1.00 0.00 N ATOM 545 CA SER A 34 1.985 -11.449 -18.387 1.00 0.00 C ATOM 546 C SER A 34 0.788 -10.496 -18.438 1.00 0.00 C ATOM 547 O SER A 34 0.716 -9.536 -17.698 1.00 0.00 O ATOM 548 CB SER A 34 1.595 -12.720 -17.632 1.00 0.00 C ATOM 549 OG SER A 34 2.303 -12.770 -16.400 1.00 0.00 O ATOM 0 H SER A 34 2.866 -10.283 -16.831 1.00 0.00 H new ATOM 0 HA SER A 34 2.286 -11.708 -19.402 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.521 -12.732 -17.448 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.826 -13.599 -18.233 1.00 0.00 H new ATOM 0 HG SER A 34 2.054 -13.583 -15.912 1.00 0.00 H new ATOM 555 N VAL A 35 -0.150 -10.752 -19.308 1.00 0.00 N ATOM 556 CA VAL A 35 -1.339 -9.859 -19.407 1.00 0.00 C ATOM 557 C VAL A 35 -2.605 -10.653 -19.080 1.00 0.00 C ATOM 558 O VAL A 35 -2.579 -11.862 -18.963 1.00 0.00 O ATOM 559 CB VAL A 35 -1.441 -9.300 -20.826 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.099 -8.689 -21.232 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.798 -10.430 -21.793 1.00 0.00 C ATOM 0 H VAL A 35 -0.145 -11.541 -19.955 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.234 -9.037 -18.699 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.215 -8.533 -20.859 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.172 -8.290 -22.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.158 -7.885 -20.543 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.675 -9.456 -21.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.871 -10.033 -22.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.024 -11.196 -21.759 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.754 -10.867 -21.505 1.00 0.00 H new ATOM 571 N HIS A 36 -3.715 -9.982 -18.932 1.00 0.00 N ATOM 572 CA HIS A 36 -4.982 -10.701 -18.614 1.00 0.00 C ATOM 573 C HIS A 36 -6.157 -9.720 -18.676 1.00 0.00 C ATOM 574 O HIS A 36 -5.975 -8.520 -18.739 1.00 0.00 O ATOM 575 CB HIS A 36 -4.892 -11.299 -17.209 1.00 0.00 C ATOM 576 CG HIS A 36 -4.376 -12.709 -17.297 1.00 0.00 C ATOM 577 ND1 HIS A 36 -4.998 -13.676 -18.070 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.298 -13.330 -16.715 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.297 -14.817 -17.935 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.250 -14.661 -17.119 1.00 0.00 N ATOM 0 H HIS A 36 -3.799 -8.969 -19.017 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.136 -11.500 -19.340 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.230 -10.696 -16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.873 -11.288 -16.734 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.595 -12.857 -16.046 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.550 -15.745 -18.426 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.563 -15.366 -16.850 1.00 0.00 H new ATOM 588 N GLU A 37 -7.362 -10.223 -18.658 1.00 0.00 N ATOM 589 CA GLU A 37 -8.548 -9.323 -18.715 1.00 0.00 C ATOM 590 C GLU A 37 -9.103 -9.122 -17.304 1.00 0.00 C ATOM 591 O GLU A 37 -9.037 -10.003 -16.470 1.00 0.00 O ATOM 592 CB GLU A 37 -9.625 -9.953 -19.601 1.00 0.00 C ATOM 593 CG GLU A 37 -9.012 -10.357 -20.943 1.00 0.00 C ATOM 594 CD GLU A 37 -9.793 -11.535 -21.528 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.998 -11.574 -21.337 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.175 -12.380 -22.154 1.00 0.00 O ATOM 0 H GLU A 37 -7.576 -11.219 -18.606 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.253 -8.360 -19.131 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.052 -10.826 -19.107 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.439 -9.246 -19.760 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.034 -9.514 -21.633 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.966 -10.632 -20.809 1.00 0.00 H new ATOM 603 N GLY A 38 -9.647 -7.968 -17.027 1.00 0.00 N ATOM 604 CA GLY A 38 -10.202 -7.713 -15.667 1.00 0.00 C ATOM 605 C GLY A 38 -11.216 -6.568 -15.731 1.00 0.00 C ATOM 606 O GLY A 38 -11.410 -5.956 -16.762 1.00 0.00 O ATOM 0 H GLY A 38 -9.731 -7.191 -17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.680 -8.614 -15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.397 -7.461 -14.976 1.00 0.00 H new ATOM 610 N ILE A 39 -11.862 -6.274 -14.636 1.00 0.00 N ATOM 611 CA ILE A 39 -12.861 -5.167 -14.634 1.00 0.00 C ATOM 612 C ILE A 39 -12.204 -3.903 -14.080 1.00 0.00 C ATOM 613 O ILE A 39 -11.289 -3.969 -13.285 1.00 0.00 O ATOM 614 CB ILE A 39 -14.049 -5.556 -13.752 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.586 -6.920 -14.193 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.153 -4.506 -13.890 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.006 -7.727 -12.963 1.00 0.00 C ATOM 0 H ILE A 39 -11.742 -6.752 -13.743 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.211 -4.983 -15.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.727 -5.610 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.436 -6.789 -14.862 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.821 -7.460 -14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.999 -4.783 -13.262 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.772 -3.534 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.476 -4.452 -14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.388 -8.698 -13.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.145 -7.870 -12.310 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.785 -7.188 -12.423 1.00 0.00 H new ATOM 629 N VAL A 40 -12.652 -2.750 -14.497 1.00 0.00 N ATOM 630 CA VAL A 40 -12.031 -1.488 -13.996 1.00 0.00 C ATOM 631 C VAL A 40 -12.889 -0.883 -12.882 1.00 0.00 C ATOM 632 O VAL A 40 -14.097 -0.994 -12.885 1.00 0.00 O ATOM 633 CB VAL A 40 -11.916 -0.487 -15.146 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.289 0.811 -14.634 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.034 -1.078 -16.248 1.00 0.00 C ATOM 0 H VAL A 40 -13.417 -2.626 -15.160 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.041 -1.713 -13.600 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.908 -0.277 -15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.207 1.524 -15.454 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.916 1.232 -13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.297 0.603 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.951 -0.366 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.042 -1.287 -15.847 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.480 -2.003 -16.614 1.00 0.00 H new ATOM 645 N TYR A 41 -12.271 -0.239 -11.930 1.00 0.00 N ATOM 646 CA TYR A 41 -13.051 0.379 -10.821 1.00 0.00 C ATOM 647 C TYR A 41 -12.329 1.635 -10.329 1.00 0.00 C ATOM 648 O TYR A 41 -11.220 1.924 -10.734 1.00 0.00 O ATOM 649 CB TYR A 41 -13.185 -0.618 -9.669 1.00 0.00 C ATOM 650 CG TYR A 41 -14.574 -0.523 -9.085 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.693 -0.698 -9.910 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.745 -0.256 -7.720 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.982 -0.605 -9.370 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.035 -0.164 -7.180 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.154 -0.339 -8.005 1.00 0.00 C ATOM 656 OH TYR A 41 -18.425 -0.249 -7.474 1.00 0.00 O ATOM 0 H TYR A 41 -11.260 -0.114 -11.872 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.044 0.648 -11.182 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.997 -1.631 -10.026 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.440 -0.407 -8.902 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.562 -0.905 -10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.883 -0.121 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.844 -0.738 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.167 0.042 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.366 -0.061 -6.514 1.00 0.00 H new ATOM 666 N PHE A 42 -12.951 2.389 -9.462 1.00 0.00 N ATOM 667 CA PHE A 42 -12.300 3.629 -8.951 1.00 0.00 C ATOM 668 C PHE A 42 -12.141 3.535 -7.431 1.00 0.00 C ATOM 669 O PHE A 42 -13.049 3.140 -6.727 1.00 0.00 O ATOM 670 CB PHE A 42 -13.169 4.839 -9.297 1.00 0.00 C ATOM 671 CG PHE A 42 -12.284 6.006 -9.667 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.302 6.451 -8.773 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.445 6.642 -10.905 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.482 7.534 -9.115 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.624 7.724 -11.248 1.00 0.00 C ATOM 676 CZ PHE A 42 -10.643 8.170 -10.353 1.00 0.00 C ATOM 0 H PHE A 42 -13.880 2.200 -9.086 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.319 3.740 -9.412 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.835 4.597 -10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.800 5.102 -8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.177 5.959 -7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.202 6.298 -11.595 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.726 7.879 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.747 8.214 -12.202 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.010 9.005 -10.617 1.00 0.00 H new ATOM 686 N LYS A 43 -10.996 3.896 -6.919 1.00 0.00 N ATOM 687 CA LYS A 43 -10.786 3.826 -5.445 1.00 0.00 C ATOM 688 C LYS A 43 -9.334 4.183 -5.115 1.00 0.00 C ATOM 689 O LYS A 43 -8.443 4.014 -5.924 1.00 0.00 O ATOM 690 CB LYS A 43 -11.087 2.407 -4.956 1.00 0.00 C ATOM 691 CG LYS A 43 -12.046 2.470 -3.766 1.00 0.00 C ATOM 692 CD LYS A 43 -11.433 1.728 -2.577 1.00 0.00 C ATOM 693 CE LYS A 43 -12.473 1.600 -1.462 1.00 0.00 C ATOM 694 NZ LYS A 43 -12.497 2.855 -0.659 1.00 0.00 N ATOM 0 H LYS A 43 -10.198 4.236 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.453 4.532 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.528 1.819 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.163 1.907 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.243 3.508 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.004 2.023 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.094 0.740 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.558 2.265 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.458 1.410 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.233 0.751 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.204 2.769 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.559 3.018 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.745 3.656 -1.274 1.00 0.00 H new ATOM 708 N ASP A 44 -9.089 4.673 -3.928 1.00 0.00 N ATOM 709 CA ASP A 44 -7.695 5.037 -3.543 1.00 0.00 C ATOM 710 C ASP A 44 -7.221 6.225 -4.384 1.00 0.00 C ATOM 711 O ASP A 44 -6.059 6.582 -4.368 1.00 0.00 O ATOM 712 CB ASP A 44 -6.772 3.841 -3.783 1.00 0.00 C ATOM 713 CG ASP A 44 -6.325 3.261 -2.441 1.00 0.00 C ATOM 714 OD1 ASP A 44 -5.955 4.038 -1.576 1.00 0.00 O ATOM 715 OD2 ASP A 44 -6.361 2.050 -2.299 1.00 0.00 O ATOM 0 H ASP A 44 -9.794 4.837 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.671 5.310 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.291 3.079 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.903 4.150 -4.365 1.00 0.00 H new ATOM 720 N GLY A 45 -8.106 6.837 -5.120 1.00 0.00 N ATOM 721 CA GLY A 45 -7.701 8.000 -5.960 1.00 0.00 C ATOM 722 C GLY A 45 -7.180 7.498 -7.308 1.00 0.00 C ATOM 723 O GLY A 45 -7.060 8.247 -8.256 1.00 0.00 O ATOM 0 H GLY A 45 -9.092 6.583 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.550 8.666 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.929 8.578 -5.452 1.00 0.00 H new ATOM 727 N ILE A 46 -6.871 6.234 -7.402 1.00 0.00 N ATOM 728 CA ILE A 46 -6.361 5.684 -8.688 1.00 0.00 C ATOM 729 C ILE A 46 -7.404 4.729 -9.273 1.00 0.00 C ATOM 730 O ILE A 46 -8.591 4.919 -9.102 1.00 0.00 O ATOM 731 CB ILE A 46 -5.056 4.928 -8.434 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.333 3.721 -7.534 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.056 5.858 -7.744 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.133 2.773 -7.570 1.00 0.00 C ATOM 0 H ILE A 46 -6.950 5.558 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.176 6.496 -9.391 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.642 4.587 -9.383 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.519 4.051 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.231 3.202 -7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.125 5.321 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.859 6.719 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.470 6.198 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.329 1.913 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.968 2.434 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.245 3.296 -7.214 1.00 0.00 H new ATOM 746 N PHE A 47 -6.977 3.705 -9.960 1.00 0.00 N ATOM 747 CA PHE A 47 -7.958 2.751 -10.544 1.00 0.00 C ATOM 748 C PHE A 47 -7.845 1.408 -9.822 1.00 0.00 C ATOM 749 O PHE A 47 -6.977 1.208 -8.996 1.00 0.00 O ATOM 750 CB PHE A 47 -7.659 2.559 -12.032 1.00 0.00 C ATOM 751 CG PHE A 47 -8.568 3.445 -12.849 1.00 0.00 C ATOM 752 CD1 PHE A 47 -8.727 4.793 -12.506 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.252 2.917 -13.953 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.569 5.616 -13.266 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.095 3.739 -14.713 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.254 5.088 -14.370 1.00 0.00 C ATOM 0 H PHE A 47 -5.997 3.489 -10.141 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.967 3.145 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.617 2.802 -12.238 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.805 1.515 -12.311 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.200 5.199 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.129 1.877 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.690 6.656 -13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.622 3.332 -15.563 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.904 5.721 -14.956 1.00 0.00 H new ATOM 766 N LYS A 48 -8.716 0.486 -10.122 1.00 0.00 N ATOM 767 CA LYS A 48 -8.652 -0.840 -9.446 1.00 0.00 C ATOM 768 C LYS A 48 -9.140 -1.929 -10.403 1.00 0.00 C ATOM 769 O LYS A 48 -10.216 -1.841 -10.962 1.00 0.00 O ATOM 770 CB LYS A 48 -9.538 -0.822 -8.199 1.00 0.00 C ATOM 771 CG LYS A 48 -8.658 -0.881 -6.948 1.00 0.00 C ATOM 772 CD LYS A 48 -9.416 -1.589 -5.824 1.00 0.00 C ATOM 773 CE LYS A 48 -8.620 -1.476 -4.521 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.081 -0.094 -4.385 1.00 0.00 N ATOM 0 H LYS A 48 -9.467 0.592 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.622 -1.048 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.148 0.082 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.224 -1.669 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.732 -1.412 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.382 0.126 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.403 -1.143 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.570 -2.638 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.259 -1.714 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.803 -2.198 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.892 0.108 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.198 -0.011 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.777 0.587 -4.750 1.00 0.00 H new ATOM 788 N VAL A 49 -8.358 -2.954 -10.592 1.00 0.00 N ATOM 789 CA VAL A 49 -8.775 -4.050 -11.508 1.00 0.00 C ATOM 790 C VAL A 49 -9.283 -5.233 -10.682 1.00 0.00 C ATOM 791 O VAL A 49 -8.529 -5.886 -9.989 1.00 0.00 O ATOM 792 CB VAL A 49 -7.577 -4.494 -12.349 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.070 -5.201 -13.613 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.751 -3.267 -12.743 1.00 0.00 C ATOM 0 H VAL A 49 -7.447 -3.080 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.569 -3.695 -12.165 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.961 -5.180 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.215 -5.516 -14.211 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.660 -6.074 -13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.687 -4.517 -14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.896 -3.581 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.370 -2.583 -13.324 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.398 -2.762 -11.844 1.00 0.00 H new ATOM 804 N ARG A 50 -10.557 -5.514 -10.745 1.00 0.00 N ATOM 805 CA ARG A 50 -11.104 -6.656 -9.958 1.00 0.00 C ATOM 806 C ARG A 50 -11.237 -7.877 -10.868 1.00 0.00 C ATOM 807 O ARG A 50 -11.778 -7.799 -11.953 1.00 0.00 O ATOM 808 CB ARG A 50 -12.482 -6.284 -9.402 1.00 0.00 C ATOM 809 CG ARG A 50 -12.557 -6.664 -7.921 1.00 0.00 C ATOM 810 CD ARG A 50 -13.169 -8.060 -7.781 1.00 0.00 C ATOM 811 NE ARG A 50 -12.614 -8.727 -6.571 1.00 0.00 N ATOM 812 CZ ARG A 50 -13.053 -8.401 -5.386 1.00 0.00 C ATOM 813 NH1 ARG A 50 -12.610 -7.320 -4.800 1.00 0.00 N ATOM 814 NH2 ARG A 50 -13.935 -9.151 -4.787 1.00 0.00 N ATOM 0 H ARG A 50 -11.240 -5.004 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.431 -6.884 -9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.658 -5.215 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.262 -6.801 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.561 -6.646 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.159 -5.936 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.254 -7.987 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.952 -8.654 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.890 -9.439 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.921 -6.731 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.953 -7.065 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.283 -9.994 -5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.277 -8.895 -3.861 1.00 0.00 H new ATOM 828 N LEU A 51 -10.743 -9.007 -10.439 1.00 0.00 N ATOM 829 CA LEU A 51 -10.844 -10.227 -11.289 1.00 0.00 C ATOM 830 C LEU A 51 -12.109 -11.002 -10.923 1.00 0.00 C ATOM 831 O LEU A 51 -12.112 -11.820 -10.023 1.00 0.00 O ATOM 832 CB LEU A 51 -9.615 -11.109 -11.061 1.00 0.00 C ATOM 833 CG LEU A 51 -8.611 -10.886 -12.193 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.287 -10.388 -11.613 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.377 -12.204 -12.934 1.00 0.00 C ATOM 0 H LEU A 51 -10.276 -9.138 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.891 -9.937 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.156 -10.871 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.909 -12.158 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.006 -10.143 -12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.573 -10.230 -12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.452 -9.449 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.892 -11.130 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.662 -12.046 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.983 -12.947 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.320 -12.560 -13.350 1.00 0.00 H new ATOM 847 N LEU A 52 -13.188 -10.755 -11.616 1.00 0.00 N ATOM 848 CA LEU A 52 -14.452 -11.479 -11.311 1.00 0.00 C ATOM 849 C LEU A 52 -14.282 -12.963 -11.642 1.00 0.00 C ATOM 850 O LEU A 52 -13.633 -13.323 -12.605 1.00 0.00 O ATOM 851 CB LEU A 52 -15.591 -10.897 -12.151 1.00 0.00 C ATOM 852 CG LEU A 52 -16.812 -11.813 -12.057 1.00 0.00 C ATOM 853 CD1 LEU A 52 -18.068 -10.972 -11.824 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.959 -12.597 -13.364 1.00 0.00 C ATOM 0 H LEU A 52 -13.247 -10.082 -12.380 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.688 -11.366 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.844 -9.898 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.277 -10.797 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.683 -12.507 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.937 -11.627 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.964 -10.412 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.200 -10.277 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.829 -13.251 -13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.088 -11.901 -14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.065 -13.198 -13.531 1.00 0.00 H new ATOM 866 N GLY A 53 -14.861 -13.827 -10.854 1.00 0.00 N ATOM 867 CA GLY A 53 -14.731 -15.287 -11.126 1.00 0.00 C ATOM 868 C GLY A 53 -13.867 -15.934 -10.043 1.00 0.00 C ATOM 869 O GLY A 53 -14.172 -16.998 -9.544 1.00 0.00 O ATOM 0 H GLY A 53 -15.418 -13.586 -10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.716 -15.753 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.283 -15.446 -12.107 1.00 0.00 H new ATOM 873 N TYR A 54 -12.788 -15.299 -9.676 1.00 0.00 N ATOM 874 CA TYR A 54 -11.904 -15.876 -8.624 1.00 0.00 C ATOM 875 C TYR A 54 -12.378 -15.406 -7.249 1.00 0.00 C ATOM 876 O TYR A 54 -12.175 -16.068 -6.251 1.00 0.00 O ATOM 877 CB TYR A 54 -10.465 -15.409 -8.854 1.00 0.00 C ATOM 878 CG TYR A 54 -9.813 -16.278 -9.901 1.00 0.00 C ATOM 879 CD1 TYR A 54 -10.275 -16.249 -11.223 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.743 -17.112 -9.551 1.00 0.00 C ATOM 881 CE1 TYR A 54 -9.669 -17.057 -12.195 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.137 -17.919 -10.523 1.00 0.00 C ATOM 883 CZ TYR A 54 -8.599 -17.891 -11.846 1.00 0.00 C ATOM 884 OH TYR A 54 -8.002 -18.685 -12.803 1.00 0.00 O ATOM 0 H TYR A 54 -12.480 -14.405 -10.059 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.944 -16.964 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.457 -14.367 -9.175 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.902 -15.460 -7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.098 -15.604 -11.493 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.385 -17.133 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.027 -17.037 -13.214 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.313 -18.563 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.276 -19.200 -12.394 1.00 0.00 H new ATOM 894 N GLU A 55 -13.005 -14.264 -7.188 1.00 0.00 N ATOM 895 CA GLU A 55 -13.488 -13.749 -5.876 1.00 0.00 C ATOM 896 C GLU A 55 -12.293 -13.531 -4.949 1.00 0.00 C ATOM 897 O GLU A 55 -11.528 -14.436 -4.683 1.00 0.00 O ATOM 898 CB GLU A 55 -14.444 -14.764 -5.247 1.00 0.00 C ATOM 899 CG GLU A 55 -15.121 -14.135 -4.028 1.00 0.00 C ATOM 900 CD GLU A 55 -15.951 -15.195 -3.302 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.731 -15.862 -3.961 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.790 -15.322 -2.100 1.00 0.00 O ATOM 0 H GLU A 55 -13.204 -13.665 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.012 -12.805 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.194 -15.073 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.898 -15.660 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.370 -13.722 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.759 -13.308 -4.339 1.00 0.00 H new ATOM 909 N GLY A 56 -12.124 -12.336 -4.454 1.00 0.00 N ATOM 910 CA GLY A 56 -10.976 -12.062 -3.546 1.00 0.00 C ATOM 911 C GLY A 56 -9.830 -11.442 -4.347 1.00 0.00 C ATOM 912 O GLY A 56 -9.154 -10.546 -3.885 1.00 0.00 O ATOM 0 H GLY A 56 -12.731 -11.538 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.283 -11.387 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.645 -12.986 -3.072 1.00 0.00 H new ATOM 916 N HIS A 57 -9.606 -11.912 -5.545 1.00 0.00 N ATOM 917 CA HIS A 57 -8.502 -11.345 -6.371 1.00 0.00 C ATOM 918 C HIS A 57 -8.751 -9.853 -6.593 1.00 0.00 C ATOM 919 O HIS A 57 -9.373 -9.451 -7.559 1.00 0.00 O ATOM 920 CB HIS A 57 -8.449 -12.064 -7.721 1.00 0.00 C ATOM 921 CG HIS A 57 -7.357 -13.098 -7.692 1.00 0.00 C ATOM 922 ND1 HIS A 57 -7.253 -14.093 -8.652 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.316 -13.306 -6.822 1.00 0.00 C ATOM 924 CE1 HIS A 57 -6.184 -14.848 -8.338 1.00 0.00 C ATOM 925 NE2 HIS A 57 -5.576 -14.412 -7.232 1.00 0.00 N ATOM 0 H HIS A 57 -10.138 -12.662 -5.986 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.552 -11.482 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.408 -12.537 -7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.265 -11.347 -8.521 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.103 -12.703 -5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.857 -15.703 -8.911 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.748 -14.805 -6.784 1.00 0.00 H new ATOM 933 N GLU A 58 -8.269 -9.029 -5.702 1.00 0.00 N ATOM 934 CA GLU A 58 -8.474 -7.562 -5.852 1.00 0.00 C ATOM 935 C GLU A 58 -7.177 -6.914 -6.336 1.00 0.00 C ATOM 936 O GLU A 58 -6.238 -6.732 -5.583 1.00 0.00 O ATOM 937 CB GLU A 58 -8.874 -6.963 -4.501 1.00 0.00 C ATOM 938 CG GLU A 58 -8.916 -5.437 -4.611 1.00 0.00 C ATOM 939 CD GLU A 58 -9.597 -4.854 -3.371 1.00 0.00 C ATOM 940 OE1 GLU A 58 -8.930 -4.724 -2.358 1.00 0.00 O ATOM 941 OE2 GLU A 58 -10.774 -4.546 -3.456 1.00 0.00 O ATOM 0 H GLU A 58 -7.741 -9.310 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.265 -7.376 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.849 -7.343 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.161 -7.263 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.905 -5.041 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.458 -5.141 -5.509 1.00 0.00 H new ATOM 948 N CYS A 59 -7.118 -6.564 -7.590 1.00 0.00 N ATOM 949 CA CYS A 59 -5.887 -5.927 -8.127 1.00 0.00 C ATOM 950 C CYS A 59 -6.089 -4.413 -8.178 1.00 0.00 C ATOM 951 O CYS A 59 -7.200 -3.928 -8.249 1.00 0.00 O ATOM 952 CB CYS A 59 -5.615 -6.457 -9.537 1.00 0.00 C ATOM 953 SG CYS A 59 -5.601 -8.267 -9.507 1.00 0.00 S ATOM 0 H CYS A 59 -7.871 -6.692 -8.266 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.039 -6.161 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.381 -6.100 -10.226 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.659 -6.081 -9.901 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.372 -8.719 -10.704 1.00 0.00 H new ATOM 959 N ILE A 60 -5.025 -3.663 -8.141 1.00 0.00 N ATOM 960 CA ILE A 60 -5.160 -2.181 -8.187 1.00 0.00 C ATOM 961 C ILE A 60 -4.453 -1.650 -9.432 1.00 0.00 C ATOM 962 O ILE A 60 -3.362 -2.064 -9.757 1.00 0.00 O ATOM 963 CB ILE A 60 -4.514 -1.571 -6.942 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.018 -1.895 -6.938 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.166 -2.154 -5.688 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.361 -1.267 -5.708 1.00 0.00 C ATOM 0 H ILE A 60 -4.068 -4.011 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.216 -1.912 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.654 -0.490 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.869 -2.975 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.551 -1.515 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.704 -1.718 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.232 -1.925 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.027 -3.235 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.296 -1.498 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.497 -0.186 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.821 -1.668 -4.805 1.00 0.00 H new ATOM 978 N LEU A 61 -5.060 -0.735 -10.130 1.00 0.00 N ATOM 979 CA LEU A 61 -4.404 -0.187 -11.349 1.00 0.00 C ATOM 980 C LEU A 61 -3.721 1.133 -10.997 1.00 0.00 C ATOM 981 O LEU A 61 -4.369 2.129 -10.725 1.00 0.00 O ATOM 982 CB LEU A 61 -5.452 0.049 -12.438 1.00 0.00 C ATOM 983 CG LEU A 61 -4.763 0.132 -13.801 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.999 -1.165 -14.069 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.817 0.335 -14.892 1.00 0.00 C ATOM 0 H LEU A 61 -5.976 -0.344 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.663 -0.897 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.182 -0.761 -12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.998 0.971 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.067 0.971 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.509 -1.104 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.249 -1.312 -13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.694 -2.004 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.328 0.394 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.513 -0.504 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.363 1.260 -14.703 1.00 0.00 H new ATOM 997 N LEU A 62 -2.415 1.147 -10.993 1.00 0.00 N ATOM 998 CA LEU A 62 -1.686 2.401 -10.653 1.00 0.00 C ATOM 999 C LEU A 62 -0.836 2.833 -11.847 1.00 0.00 C ATOM 1000 O LEU A 62 -0.714 4.005 -12.143 1.00 0.00 O ATOM 1001 CB LEU A 62 -0.780 2.153 -9.445 1.00 0.00 C ATOM 1002 CG LEU A 62 0.059 3.403 -9.170 1.00 0.00 C ATOM 1003 CD1 LEU A 62 0.439 3.449 -7.689 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.331 3.359 -10.020 1.00 0.00 C ATOM 0 H LEU A 62 -1.823 0.345 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.403 3.186 -10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.382 1.907 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.129 1.300 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.520 4.291 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.037 4.340 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.466 3.479 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.017 2.561 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.930 4.249 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.908 2.470 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.062 3.327 -11.076 1.00 0.00 H new ATOM 1016 N ASP A 63 -0.251 1.896 -12.538 1.00 0.00 N ATOM 1017 CA ASP A 63 0.587 2.255 -13.716 1.00 0.00 C ATOM 1018 C ASP A 63 -0.285 2.951 -14.760 1.00 0.00 C ATOM 1019 O ASP A 63 -0.008 4.059 -15.176 1.00 0.00 O ATOM 1020 CB ASP A 63 1.190 0.987 -14.319 1.00 0.00 C ATOM 1021 CG ASP A 63 2.550 1.313 -14.938 1.00 0.00 C ATOM 1022 OD1 ASP A 63 3.430 1.730 -14.202 1.00 0.00 O ATOM 1023 OD2 ASP A 63 2.690 1.136 -16.137 1.00 0.00 O ATOM 0 H ASP A 63 -0.316 0.898 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 63 1.389 2.923 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.303 0.224 -13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.522 0.579 -15.077 1.00 0.00 H new ATOM 1028 N TYR A 64 -1.337 2.310 -15.188 1.00 0.00 N ATOM 1029 CA TYR A 64 -2.223 2.939 -16.208 1.00 0.00 C ATOM 1030 C TYR A 64 -3.626 3.123 -15.627 1.00 0.00 C ATOM 1031 O TYR A 64 -4.606 2.677 -16.190 1.00 0.00 O ATOM 1032 CB TYR A 64 -2.295 2.037 -17.439 1.00 0.00 C ATOM 1033 CG TYR A 64 -1.538 2.674 -18.578 1.00 0.00 C ATOM 1034 CD1 TYR A 64 -0.224 3.124 -18.383 1.00 0.00 C ATOM 1035 CD2 TYR A 64 -2.147 2.814 -19.832 1.00 0.00 C ATOM 1036 CE1 TYR A 64 0.479 3.713 -19.443 1.00 0.00 C ATOM 1037 CE2 TYR A 64 -1.444 3.404 -20.891 1.00 0.00 C ATOM 1038 CZ TYR A 64 -0.130 3.853 -20.697 1.00 0.00 C ATOM 1039 OH TYR A 64 0.562 4.433 -21.739 1.00 0.00 O ATOM 0 H TYR A 64 -1.621 1.381 -14.877 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.820 3.912 -16.490 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.873 1.058 -17.211 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.335 1.877 -17.725 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.246 3.017 -17.417 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.159 2.467 -19.983 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.491 4.059 -19.293 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.915 3.513 -21.857 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.004 5.105 -22.174 1.00 0.00 H new ATOM 1049 N LEU A 65 -3.733 3.781 -14.504 1.00 0.00 N ATOM 1050 CA LEU A 65 -5.074 3.994 -13.889 1.00 0.00 C ATOM 1051 C LEU A 65 -5.927 4.862 -14.818 1.00 0.00 C ATOM 1052 O LEU A 65 -7.140 4.853 -14.753 1.00 0.00 O ATOM 1053 CB LEU A 65 -4.914 4.691 -12.533 1.00 0.00 C ATOM 1054 CG LEU A 65 -4.413 6.125 -12.734 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -4.816 6.979 -11.530 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -2.889 6.122 -12.861 1.00 0.00 C ATOM 0 H LEU A 65 -2.950 4.180 -13.986 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.564 3.031 -13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.868 4.701 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.212 4.136 -11.911 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.854 6.538 -13.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.460 7.999 -11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.902 6.984 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.374 6.563 -10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.534 7.143 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.449 5.708 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.596 5.513 -13.716 1.00 0.00 H new ATOM 1068 N ASN A 66 -5.300 5.610 -15.684 1.00 0.00 N ATOM 1069 CA ASN A 66 -6.071 6.478 -16.618 1.00 0.00 C ATOM 1070 C ASN A 66 -5.140 6.987 -17.721 1.00 0.00 C ATOM 1071 O ASN A 66 -3.992 6.595 -17.804 1.00 0.00 O ATOM 1072 CB ASN A 66 -6.655 7.666 -15.851 1.00 0.00 C ATOM 1073 CG ASN A 66 -5.528 8.430 -15.153 1.00 0.00 C ATOM 1074 OD1 ASN A 66 -4.368 8.229 -15.449 1.00 0.00 O ATOM 1075 ND2 ASN A 66 -5.824 9.304 -14.229 1.00 0.00 N ATOM 0 H ASN A 66 -4.286 5.657 -15.785 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.883 5.903 -17.063 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.187 8.327 -16.535 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.380 7.316 -15.116 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.081 9.818 -13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.799 9.473 -13.980 1.00 0.00 H new ATOM 1082 N TYR A 67 -5.621 7.855 -18.568 1.00 0.00 N ATOM 1083 CA TYR A 67 -4.757 8.381 -19.663 1.00 0.00 C ATOM 1084 C TYR A 67 -4.942 9.895 -19.783 1.00 0.00 C ATOM 1085 O TYR A 67 -5.897 10.368 -20.367 1.00 0.00 O ATOM 1086 CB TYR A 67 -5.140 7.712 -20.984 1.00 0.00 C ATOM 1087 CG TYR A 67 -3.891 7.242 -21.688 1.00 0.00 C ATOM 1088 CD1 TYR A 67 -2.697 7.962 -21.548 1.00 0.00 C ATOM 1089 CD2 TYR A 67 -3.923 6.088 -22.482 1.00 0.00 C ATOM 1090 CE1 TYR A 67 -1.536 7.528 -22.199 1.00 0.00 C ATOM 1091 CE2 TYR A 67 -2.762 5.654 -23.134 1.00 0.00 C ATOM 1092 CZ TYR A 67 -1.568 6.374 -22.993 1.00 0.00 C ATOM 1093 OH TYR A 67 -0.424 5.946 -23.635 1.00 0.00 O ATOM 0 H TYR A 67 -6.572 8.222 -18.550 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.714 8.162 -19.435 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.805 6.869 -20.798 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.684 8.414 -21.616 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.672 8.852 -20.937 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.843 5.533 -22.591 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.616 8.083 -22.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.787 4.764 -23.746 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.619 5.131 -24.143 1.00 0.00 H new ATOM 1103 N ARG A 68 -4.034 10.658 -19.236 1.00 0.00 N ATOM 1104 CA ARG A 68 -4.153 12.142 -19.319 1.00 0.00 C ATOM 1105 C ARG A 68 -5.602 12.557 -19.059 1.00 0.00 C ATOM 1106 O ARG A 68 -6.400 11.786 -18.566 1.00 0.00 O ATOM 1107 CB ARG A 68 -3.731 12.611 -20.714 1.00 0.00 C ATOM 1108 CG ARG A 68 -2.371 13.306 -20.630 1.00 0.00 C ATOM 1109 CD ARG A 68 -2.171 14.184 -21.867 1.00 0.00 C ATOM 1110 NE ARG A 68 -1.074 13.618 -22.703 1.00 0.00 N ATOM 1111 CZ ARG A 68 -1.353 13.036 -23.837 1.00 0.00 C ATOM 1112 NH1 ARG A 68 -2.446 12.332 -23.959 1.00 0.00 N ATOM 1113 NH2 ARG A 68 -0.540 13.158 -24.850 1.00 0.00 N ATOM 0 H ARG A 68 -3.214 10.317 -18.735 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.506 12.598 -18.570 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.675 11.761 -21.394 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.476 13.295 -21.120 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.316 13.914 -19.727 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.575 12.564 -20.564 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.094 14.234 -22.444 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.926 15.203 -21.568 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.106 13.686 -22.389 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.082 12.237 -23.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.663 11.877 -24.846 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.314 13.708 -24.755 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.758 12.703 -25.737 1.00 0.00 H new ATOM 1127 N GLN A 69 -5.945 13.774 -19.385 1.00 0.00 N ATOM 1128 CA GLN A 69 -7.341 14.242 -19.157 1.00 0.00 C ATOM 1129 C GLN A 69 -7.666 15.375 -20.133 1.00 0.00 C ATOM 1130 O GLN A 69 -6.964 15.593 -21.101 1.00 0.00 O ATOM 1131 CB GLN A 69 -7.476 14.751 -17.720 1.00 0.00 C ATOM 1132 CG GLN A 69 -6.530 15.936 -17.509 1.00 0.00 C ATOM 1133 CD GLN A 69 -5.685 15.697 -16.256 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -6.096 14.990 -15.358 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -4.512 16.260 -16.159 1.00 0.00 N ATOM 0 H GLN A 69 -5.318 14.464 -19.799 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.034 13.416 -19.318 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.505 15.054 -17.525 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.240 13.953 -17.016 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.884 16.059 -18.378 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.102 16.858 -17.404 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.167 16.854 -16.913 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.940 16.106 -15.329 1.00 0.00 H new ATOM 1144 N ASP A 70 -8.724 16.097 -19.888 1.00 0.00 N ATOM 1145 CA ASP A 70 -9.092 17.215 -20.801 1.00 0.00 C ATOM 1146 C ASP A 70 -10.415 17.833 -20.345 1.00 0.00 C ATOM 1147 O ASP A 70 -10.455 18.940 -19.843 1.00 0.00 O ATOM 1148 CB ASP A 70 -9.246 16.681 -22.228 1.00 0.00 C ATOM 1149 CG ASP A 70 -8.767 17.740 -23.223 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -7.742 18.350 -22.962 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -9.432 17.923 -24.229 1.00 0.00 O ATOM 0 H ASP A 70 -9.350 15.961 -19.094 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.309 17.973 -20.778 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.668 15.765 -22.349 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.288 16.429 -22.423 1.00 0.00 H new ATOM 1156 N THR A 71 -11.500 17.126 -20.512 1.00 0.00 N ATOM 1157 CA THR A 71 -12.819 17.673 -20.087 1.00 0.00 C ATOM 1158 C THR A 71 -13.903 16.616 -20.311 1.00 0.00 C ATOM 1159 O THR A 71 -13.706 15.654 -21.027 1.00 0.00 O ATOM 1160 CB THR A 71 -13.142 18.923 -20.910 1.00 0.00 C ATOM 1161 OG1 THR A 71 -14.446 19.381 -20.579 1.00 0.00 O ATOM 1162 CG2 THR A 71 -13.078 18.585 -22.400 1.00 0.00 C ATOM 0 H THR A 71 -11.529 16.194 -20.924 1.00 0.00 H new ATOM 0 HA THR A 71 -12.782 17.936 -19.030 1.00 0.00 H new ATOM 0 HB THR A 71 -12.416 19.705 -20.687 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.654 20.182 -21.103 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.308 19.475 -22.985 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.077 18.235 -22.651 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.803 17.804 -22.627 1.00 0.00 H new ATOM 1170 N LEU A 72 -15.045 16.784 -19.704 1.00 0.00 N ATOM 1171 CA LEU A 72 -16.138 15.785 -19.882 1.00 0.00 C ATOM 1172 C LEU A 72 -15.824 14.536 -19.056 1.00 0.00 C ATOM 1173 O LEU A 72 -15.976 13.422 -19.516 1.00 0.00 O ATOM 1174 CB LEU A 72 -16.245 15.403 -21.360 1.00 0.00 C ATOM 1175 CG LEU A 72 -17.713 15.179 -21.726 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -18.210 16.344 -22.583 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -17.846 13.875 -22.515 1.00 0.00 C ATOM 0 H LEU A 72 -15.269 17.569 -19.093 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.082 16.216 -19.549 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.821 16.192 -21.982 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -15.669 14.499 -21.555 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.309 15.118 -20.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.256 16.184 -22.843 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.114 17.274 -22.023 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.615 16.405 -23.494 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.892 13.713 -22.777 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.249 13.938 -23.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.492 13.043 -21.906 1.00 0.00 H new ATOM 1189 N ASP A 73 -15.387 14.712 -17.839 1.00 0.00 N ATOM 1190 CA ASP A 73 -15.063 13.534 -16.987 1.00 0.00 C ATOM 1191 C ASP A 73 -16.345 12.761 -16.669 1.00 0.00 C ATOM 1192 O ASP A 73 -16.307 11.677 -16.121 1.00 0.00 O ATOM 1193 CB ASP A 73 -14.419 14.013 -15.684 1.00 0.00 C ATOM 1194 CG ASP A 73 -12.960 13.551 -15.633 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -12.737 12.354 -15.692 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -12.093 14.403 -15.538 1.00 0.00 O ATOM 0 H ASP A 73 -15.241 15.620 -17.398 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.371 12.881 -17.518 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.469 15.100 -15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.967 13.617 -14.829 1.00 0.00 H new ATOM 1201 N ARG A 74 -17.481 13.307 -17.008 1.00 0.00 N ATOM 1202 CA ARG A 74 -18.761 12.599 -16.725 1.00 0.00 C ATOM 1203 C ARG A 74 -18.782 11.268 -17.478 1.00 0.00 C ATOM 1204 O ARG A 74 -19.238 10.262 -16.972 1.00 0.00 O ATOM 1205 CB ARG A 74 -19.937 13.463 -17.183 1.00 0.00 C ATOM 1206 CG ARG A 74 -19.732 14.900 -16.701 1.00 0.00 C ATOM 1207 CD ARG A 74 -20.750 15.223 -15.606 1.00 0.00 C ATOM 1208 NE ARG A 74 -20.101 16.059 -14.558 1.00 0.00 N ATOM 1209 CZ ARG A 74 -19.838 17.315 -14.798 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -19.023 17.638 -15.765 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -20.391 18.249 -14.071 1.00 0.00 N ATOM 0 H ARG A 74 -17.578 14.212 -17.468 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.844 12.414 -15.654 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.017 13.441 -18.270 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.871 13.065 -16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.719 15.025 -16.318 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.846 15.594 -17.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.603 15.751 -16.032 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.133 14.302 -15.167 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.862 15.651 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.592 16.909 -16.333 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.818 18.619 -15.952 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.028 17.997 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.185 19.230 -14.259 1.00 0.00 H new ATOM 1225 N LEU A 75 -18.287 11.254 -18.684 1.00 0.00 N ATOM 1226 CA LEU A 75 -18.274 9.990 -19.471 1.00 0.00 C ATOM 1227 C LEU A 75 -17.303 9.000 -18.821 1.00 0.00 C ATOM 1228 O LEU A 75 -17.447 7.800 -18.947 1.00 0.00 O ATOM 1229 CB LEU A 75 -17.821 10.289 -20.903 1.00 0.00 C ATOM 1230 CG LEU A 75 -18.146 9.095 -21.801 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -19.314 9.452 -22.722 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -16.919 8.749 -22.648 1.00 0.00 C ATOM 0 H LEU A 75 -17.890 12.065 -19.159 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.275 9.558 -19.490 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -18.321 11.184 -21.274 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.750 10.491 -20.922 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.418 8.239 -21.184 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.546 8.601 -23.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.188 9.702 -22.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.042 10.307 -23.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.148 7.898 -23.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.649 9.606 -23.265 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.085 8.496 -21.994 1.00 0.00 H new ATOM 1244 N LYS A 76 -16.315 9.497 -18.128 1.00 0.00 N ATOM 1245 CA LYS A 76 -15.330 8.591 -17.470 1.00 0.00 C ATOM 1246 C LYS A 76 -16.030 7.763 -16.388 1.00 0.00 C ATOM 1247 O LYS A 76 -15.648 6.646 -16.105 1.00 0.00 O ATOM 1248 CB LYS A 76 -14.224 9.431 -16.827 1.00 0.00 C ATOM 1249 CG LYS A 76 -12.856 8.897 -17.257 1.00 0.00 C ATOM 1250 CD LYS A 76 -11.789 9.384 -16.275 1.00 0.00 C ATOM 1251 CE LYS A 76 -10.474 8.648 -16.542 1.00 0.00 C ATOM 1252 NZ LYS A 76 -9.813 9.233 -17.741 1.00 0.00 N ATOM 0 H LYS A 76 -16.147 10.493 -17.989 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.901 7.921 -18.215 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.328 10.475 -17.124 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.313 9.398 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.871 7.807 -17.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.621 9.238 -18.265 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.644 10.459 -16.383 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.115 9.207 -15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.817 8.729 -15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.664 7.586 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.919 8.733 -17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.439 9.134 -18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.618 10.241 -17.573 1.00 0.00 H new ATOM 1266 N GLU A 77 -17.049 8.305 -15.778 1.00 0.00 N ATOM 1267 CA GLU A 77 -17.767 7.549 -14.711 1.00 0.00 C ATOM 1268 C GLU A 77 -18.352 6.258 -15.293 1.00 0.00 C ATOM 1269 O GLU A 77 -18.190 5.190 -14.739 1.00 0.00 O ATOM 1270 CB GLU A 77 -18.900 8.411 -14.149 1.00 0.00 C ATOM 1271 CG GLU A 77 -18.855 8.379 -12.619 1.00 0.00 C ATOM 1272 CD GLU A 77 -20.281 8.321 -12.066 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -21.204 8.308 -12.863 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -20.424 8.289 -10.855 1.00 0.00 O ATOM 0 H GLU A 77 -17.415 9.237 -15.972 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.066 7.300 -13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.802 9.437 -14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.862 8.041 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.287 7.513 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.343 9.264 -12.241 1.00 0.00 H new ATOM 1281 N ARG A 78 -19.033 6.350 -16.403 1.00 0.00 N ATOM 1282 CA ARG A 78 -19.630 5.127 -17.012 1.00 0.00 C ATOM 1283 C ARG A 78 -18.527 4.271 -17.638 1.00 0.00 C ATOM 1284 O ARG A 78 -18.622 3.060 -17.683 1.00 0.00 O ATOM 1285 CB ARG A 78 -20.634 5.533 -18.094 1.00 0.00 C ATOM 1286 CG ARG A 78 -22.029 5.039 -17.707 1.00 0.00 C ATOM 1287 CD ARG A 78 -22.097 3.519 -17.870 1.00 0.00 C ATOM 1288 NE ARG A 78 -23.447 3.134 -18.367 1.00 0.00 N ATOM 1289 CZ ARG A 78 -24.149 2.237 -17.728 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -24.896 2.590 -16.718 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -24.106 0.986 -18.101 1.00 0.00 N ATOM 0 H ARG A 78 -19.202 7.217 -16.913 1.00 0.00 H new ATOM 0 HA ARG A 78 -20.139 4.552 -16.238 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.640 6.617 -18.211 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.340 5.110 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -22.251 5.315 -16.676 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.782 5.516 -18.334 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.331 3.183 -18.568 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.896 3.031 -16.917 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.824 3.572 -19.208 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.932 3.567 -16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -25.444 1.889 -16.219 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.524 0.709 -18.892 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.654 0.286 -17.602 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.484 4.886 -18.121 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.381 4.100 -18.741 1.00 0.00 C ATOM 1307 C LEU A 79 -15.832 3.110 -17.715 1.00 0.00 C ATOM 1308 O LEU A 79 -15.712 1.928 -17.977 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.266 5.045 -19.189 1.00 0.00 C ATOM 1310 CG LEU A 79 -15.012 4.860 -20.686 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -16.220 5.366 -21.476 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -13.768 5.653 -21.093 1.00 0.00 C ATOM 0 H LEU A 79 -17.347 5.897 -18.113 1.00 0.00 H new ATOM 0 HA LEU A 79 -16.760 3.558 -19.607 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.545 6.078 -18.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.355 4.842 -18.627 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.856 3.803 -20.900 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.038 5.234 -22.543 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.106 4.802 -21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.377 6.423 -21.263 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.586 5.522 -22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.924 6.710 -20.879 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.907 5.292 -20.531 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.503 3.582 -16.544 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.968 2.671 -15.497 1.00 0.00 C ATOM 1326 C VAL A 80 -15.801 1.390 -15.477 1.00 0.00 C ATOM 1327 O VAL A 80 -16.878 1.332 -16.036 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.055 3.359 -14.135 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.335 2.510 -13.086 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.392 4.736 -14.219 1.00 0.00 C ATOM 0 H VAL A 80 -15.582 4.561 -16.268 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.928 2.428 -15.714 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.101 3.474 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.397 3.001 -12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.805 1.528 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.288 2.394 -13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.453 5.229 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.346 4.619 -14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.905 5.342 -14.966 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.313 0.359 -14.845 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.085 -0.914 -14.806 1.00 0.00 C ATOM 1342 C GLY A 81 -15.764 -1.735 -16.054 1.00 0.00 C ATOM 1343 O GLY A 81 -15.489 -2.917 -15.975 1.00 0.00 O ATOM 0 H GLY A 81 -14.418 0.342 -14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.832 -1.479 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.154 -0.704 -14.759 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.796 -1.113 -17.205 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.497 -1.844 -18.471 1.00 0.00 C ATOM 1349 C ARG A 82 -14.353 -2.834 -18.246 1.00 0.00 C ATOM 1350 O ARG A 82 -13.586 -2.713 -17.313 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.093 -0.840 -19.553 1.00 0.00 C ATOM 1352 CG ARG A 82 -15.815 -1.177 -20.859 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.672 0.015 -21.290 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.987 -0.472 -21.794 1.00 0.00 N ATOM 1355 CZ ARG A 82 -18.046 -1.548 -22.531 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.674 -1.504 -23.782 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -18.478 -2.667 -22.018 1.00 0.00 N ATOM 0 H ARG A 82 -16.018 -0.124 -17.322 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.386 -2.390 -18.787 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.345 0.172 -19.237 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.014 -0.867 -19.704 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.090 -1.417 -21.636 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.441 -2.059 -20.724 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.821 0.692 -20.449 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.160 0.582 -22.068 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.841 0.035 -21.563 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.337 -0.629 -24.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.720 -2.345 -24.358 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.770 -2.701 -21.041 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.524 -3.508 -22.594 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.234 -3.813 -19.099 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.142 -4.812 -18.939 1.00 0.00 C ATOM 1373 C VAL A 83 -11.986 -4.440 -19.868 1.00 0.00 C ATOM 1374 O VAL A 83 -12.191 -3.997 -20.982 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.663 -6.202 -19.304 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.603 -7.251 -18.964 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.940 -6.490 -18.510 1.00 0.00 C ATOM 0 H VAL A 83 -14.847 -3.964 -19.900 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.797 -4.818 -17.905 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.881 -6.241 -20.371 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.975 -8.242 -19.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.693 -7.045 -19.528 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.384 -7.215 -17.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.314 -7.481 -18.769 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.721 -6.452 -17.443 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.696 -5.743 -18.753 1.00 0.00 H new ATOM 1387 N ILE A 84 -10.774 -4.609 -19.421 1.00 0.00 N ATOM 1388 CA ILE A 84 -9.614 -4.254 -20.285 1.00 0.00 C ATOM 1389 C ILE A 84 -8.497 -5.284 -20.103 1.00 0.00 C ATOM 1390 O ILE A 84 -8.512 -6.080 -19.183 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.100 -2.860 -19.903 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.272 -2.944 -18.615 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.289 -1.924 -19.678 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.143 -3.487 -17.480 1.00 0.00 C ATOM 0 H ILE A 84 -10.536 -4.976 -18.499 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.929 -4.251 -21.329 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.475 -2.476 -20.709 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.409 -3.592 -18.767 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.888 -1.958 -18.353 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.926 -0.933 -19.406 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.877 -1.857 -20.593 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.913 -2.315 -18.874 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.553 -3.546 -16.565 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.992 -2.821 -17.322 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.505 -4.481 -17.743 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.526 -5.268 -20.974 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.399 -6.235 -20.859 1.00 0.00 C ATOM 1408 C LYS A 85 -5.177 -5.507 -20.297 1.00 0.00 C ATOM 1409 O LYS A 85 -4.548 -4.718 -20.972 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.065 -6.801 -22.243 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.343 -6.894 -23.081 1.00 0.00 C ATOM 1412 CD LYS A 85 -7.276 -8.129 -23.982 1.00 0.00 C ATOM 1413 CE LYS A 85 -8.324 -8.011 -25.091 1.00 0.00 C ATOM 1414 NZ LYS A 85 -9.412 -9.002 -24.855 1.00 0.00 N ATOM 0 H LYS A 85 -7.465 -4.624 -21.763 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.681 -7.053 -20.196 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.336 -6.162 -22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.610 -7.787 -22.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.214 -6.954 -22.429 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.459 -5.995 -23.687 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.281 -8.221 -24.416 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.453 -9.030 -23.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.735 -7.002 -25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.862 -8.187 -26.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.124 -8.922 -25.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.013 -9.962 -24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.859 -8.814 -23.935 1.00 0.00 H new ATOM 1428 N THR A 86 -4.840 -5.760 -19.063 1.00 0.00 N ATOM 1429 CA THR A 86 -3.664 -5.073 -18.458 1.00 0.00 C ATOM 1430 C THR A 86 -2.610 -6.109 -18.067 1.00 0.00 C ATOM 1431 O THR A 86 -2.827 -7.300 -18.167 1.00 0.00 O ATOM 1432 CB THR A 86 -4.107 -4.308 -17.209 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.124 -5.043 -16.542 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.648 -2.936 -17.612 1.00 0.00 C ATOM 0 H THR A 86 -5.327 -6.412 -18.448 1.00 0.00 H new ATOM 0 HA THR A 86 -3.240 -4.378 -19.183 1.00 0.00 H new ATOM 0 HB THR A 86 -3.255 -4.177 -16.542 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.519 -4.489 -15.837 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.963 -2.393 -16.721 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.867 -2.373 -18.123 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.500 -3.063 -18.280 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.469 -5.663 -17.617 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.404 -6.621 -17.214 1.00 0.00 C ATOM 1444 C ARG A 87 -0.428 -6.790 -15.694 1.00 0.00 C ATOM 1445 O ARG A 87 -0.998 -5.988 -14.978 1.00 0.00 O ATOM 1446 CB ARG A 87 0.961 -6.082 -17.649 1.00 0.00 C ATOM 1447 CG ARG A 87 1.124 -6.267 -19.159 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.011 -5.545 -19.887 1.00 0.00 C ATOM 1449 NE ARG A 87 0.450 -5.135 -21.243 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.294 -5.378 -22.287 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.592 -5.427 -22.168 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.261 -5.572 -23.453 1.00 0.00 N ATOM 0 H ARG A 87 -1.230 -4.677 -17.512 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.579 -7.585 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.047 -5.027 -17.390 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.757 -6.606 -17.119 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.087 -5.872 -19.483 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.114 -7.328 -19.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.879 -6.199 -19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.324 -4.670 -19.318 1.00 0.00 H new ATOM 0 HE ARG A 87 1.348 -4.664 -21.355 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.027 -5.275 -21.258 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.172 -5.617 -22.985 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.276 -5.534 -23.547 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.320 -5.762 -24.269 1.00 0.00 H new ATOM 1466 N VAL A 88 0.188 -7.825 -15.194 1.00 0.00 N ATOM 1467 CA VAL A 88 0.194 -8.048 -13.722 1.00 0.00 C ATOM 1468 C VAL A 88 1.492 -7.498 -13.134 1.00 0.00 C ATOM 1469 O VAL A 88 2.573 -7.790 -13.605 1.00 0.00 O ATOM 1470 CB VAL A 88 0.102 -9.547 -13.435 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.332 -9.797 -11.945 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.286 -10.058 -13.829 1.00 0.00 C ATOM 0 H VAL A 88 0.687 -8.526 -15.742 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.657 -7.538 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 88 0.861 -10.074 -14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.266 -10.866 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.320 -9.434 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.427 -9.270 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.352 -11.127 -13.625 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.045 -9.531 -13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.451 -9.881 -14.892 1.00 0.00 H new ATOM 1482 N VAL A 89 1.391 -6.696 -12.112 1.00 0.00 N ATOM 1483 CA VAL A 89 2.617 -6.119 -11.499 1.00 0.00 C ATOM 1484 C VAL A 89 3.194 -7.100 -10.475 1.00 0.00 C ATOM 1485 O VAL A 89 4.393 -7.193 -10.301 1.00 0.00 O ATOM 1486 CB VAL A 89 2.264 -4.806 -10.804 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.458 -4.320 -9.980 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.910 -3.752 -11.856 1.00 0.00 C ATOM 0 H VAL A 89 0.513 -6.416 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 89 3.358 -5.935 -12.277 1.00 0.00 H new ATOM 0 HB VAL A 89 1.411 -4.966 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.202 -3.383 -9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.711 -5.069 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.313 -4.162 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.658 -2.814 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.763 -3.596 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.056 -4.094 -12.441 1.00 0.00 H new ATOM 1498 N ARG A 90 2.351 -7.830 -9.795 1.00 0.00 N ATOM 1499 CA ARG A 90 2.848 -8.798 -8.785 1.00 0.00 C ATOM 1500 C ARG A 90 1.698 -9.193 -7.858 1.00 0.00 C ATOM 1501 O ARG A 90 1.178 -8.386 -7.109 1.00 0.00 O ATOM 1502 CB ARG A 90 3.975 -8.163 -7.965 1.00 0.00 C ATOM 1503 CG ARG A 90 5.290 -8.887 -8.266 1.00 0.00 C ATOM 1504 CD ARG A 90 6.397 -7.863 -8.521 1.00 0.00 C ATOM 1505 NE ARG A 90 7.720 -8.485 -8.237 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.362 -8.186 -7.140 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.704 -7.999 -6.029 1.00 0.00 N ATOM 1508 NH2 ARG A 90 9.662 -8.075 -7.156 1.00 0.00 N ATOM 0 H ARG A 90 1.337 -7.795 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 90 3.233 -9.684 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.065 -7.104 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.747 -8.227 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.562 -9.530 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.170 -9.531 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.359 -7.519 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.251 -6.988 -7.888 1.00 0.00 H new ATOM 0 HE ARG A 90 8.125 -9.145 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.688 -8.086 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.206 -7.765 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.176 -8.222 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.164 -7.841 -6.300 1.00 0.00 H new ATOM 1522 N ALA A 91 1.296 -10.429 -7.913 1.00 0.00 N ATOM 1523 CA ALA A 91 0.179 -10.898 -7.044 1.00 0.00 C ATOM 1524 C ALA A 91 0.753 -11.603 -5.813 1.00 0.00 C ATOM 1525 O ALA A 91 1.826 -12.172 -5.853 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.698 -11.877 -7.827 1.00 0.00 C ATOM 0 H ALA A 91 1.694 -11.141 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.420 -10.044 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.515 -12.221 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.106 -11.377 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.098 -12.731 -8.141 1.00 0.00 H new ATOM 1532 N ASP A 92 0.044 -11.572 -4.718 1.00 0.00 N ATOM 1533 CA ASP A 92 0.545 -12.241 -3.483 1.00 0.00 C ATOM 1534 C ASP A 92 -0.527 -13.193 -2.953 1.00 0.00 C ATOM 1535 O ASP A 92 -0.385 -14.398 -3.000 1.00 0.00 O ATOM 1536 CB ASP A 92 0.860 -11.182 -2.424 1.00 0.00 C ATOM 1537 CG ASP A 92 2.191 -11.516 -1.748 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.479 -12.692 -1.597 1.00 0.00 O ATOM 1539 OD2 ASP A 92 2.901 -10.589 -1.392 1.00 0.00 O ATOM 0 H ASP A 92 -0.862 -11.112 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 92 1.450 -12.804 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.912 -10.196 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.062 -11.146 -1.682 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.603 -12.655 -2.455 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.696 -13.517 -1.924 1.00 0.00 C ATOM 1546 C GLY A 93 -4.044 -12.902 -2.296 1.00 0.00 C ATOM 1547 O GLY A 93 -4.724 -13.365 -3.189 1.00 0.00 O ATOM 0 H GLY A 93 -1.774 -11.651 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.615 -14.523 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.610 -13.608 -0.841 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.432 -11.855 -1.622 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.733 -11.201 -1.940 1.00 0.00 C ATOM 1553 C LEU A 94 -5.467 -9.824 -2.551 1.00 0.00 C ATOM 1554 O LEU A 94 -6.271 -9.296 -3.294 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.553 -11.048 -0.658 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.451 -12.273 -0.479 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.598 -13.543 -0.523 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.165 -12.187 0.871 1.00 0.00 C ATOM 0 H LEU A 94 -3.904 -11.423 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.289 -11.813 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.890 -10.941 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.159 -10.143 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.189 -12.303 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.238 -14.416 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.087 -13.605 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.860 -13.514 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.806 -13.059 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.426 -12.157 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.773 -11.283 0.904 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.339 -9.242 -2.248 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.010 -7.903 -2.812 1.00 0.00 C ATOM 1572 C TYR A 95 -3.050 -8.080 -3.991 1.00 0.00 C ATOM 1573 O TYR A 95 -2.108 -8.845 -3.921 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.347 -7.047 -1.731 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.097 -7.213 -0.430 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.482 -6.999 -0.388 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.410 -7.582 0.734 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.178 -7.154 0.818 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -4.107 -7.737 1.940 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.492 -7.523 1.981 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.178 -7.675 3.169 1.00 0.00 O ATOM 0 H TYR A 95 -3.629 -9.638 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.920 -7.410 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.306 -7.344 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.345 -5.999 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.012 -6.715 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.343 -7.747 0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.245 -6.989 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.577 -8.021 2.837 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.552 -7.935 3.877 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.282 -7.392 -5.075 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.379 -7.544 -6.252 1.00 0.00 C ATOM 1593 C VAL A 96 -2.133 -6.183 -6.905 1.00 0.00 C ATOM 1594 O VAL A 96 -2.961 -5.296 -6.847 1.00 0.00 O ATOM 1595 CB VAL A 96 -3.037 -8.479 -7.269 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.114 -8.658 -8.476 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.292 -9.838 -6.615 1.00 0.00 C ATOM 0 H VAL A 96 -4.053 -6.735 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.426 -7.959 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.982 -8.049 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.585 -9.324 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.931 -7.689 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.167 -9.088 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.761 -10.507 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.346 -10.266 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.952 -9.711 -5.757 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.001 -6.015 -7.539 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.710 -4.714 -8.209 1.00 0.00 C ATOM 1609 C ASP A 97 -1.029 -4.850 -9.701 1.00 0.00 C ATOM 1610 O ASP A 97 -1.036 -5.938 -10.243 1.00 0.00 O ATOM 1611 CB ASP A 97 0.765 -4.356 -8.024 1.00 0.00 C ATOM 1612 CG ASP A 97 1.010 -3.938 -6.574 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.055 -3.555 -5.918 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.149 -4.006 -6.143 1.00 0.00 O ATOM 0 H ASP A 97 -0.269 -6.720 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.320 -3.924 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.392 -5.210 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.041 -3.546 -8.699 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.315 -3.766 -10.372 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.657 -3.867 -11.820 1.00 0.00 C ATOM 1621 C LEU A 98 -1.036 -2.713 -12.607 1.00 0.00 C ATOM 1622 O LEU A 98 -1.030 -1.573 -12.172 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.179 -3.816 -11.977 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.660 -5.024 -12.784 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.252 -4.853 -14.247 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.031 -6.303 -12.223 1.00 0.00 C ATOM 0 H LEU A 98 -1.327 -2.823 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.263 -4.806 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.655 -3.810 -10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.471 -2.893 -12.478 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.745 -5.096 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.594 -5.713 -14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.704 -3.945 -14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.167 -4.779 -14.316 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.376 -7.161 -12.800 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.945 -6.234 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.324 -6.425 -11.180 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.525 -3.006 -13.774 1.00 0.00 N ATOM 1639 CA ARG A 99 0.092 -1.946 -14.618 1.00 0.00 C ATOM 1640 C ARG A 99 -0.208 -2.241 -16.092 1.00 0.00 C ATOM 1641 O ARG A 99 0.073 -3.314 -16.587 1.00 0.00 O ATOM 1642 CB ARG A 99 1.605 -1.941 -14.400 1.00 0.00 C ATOM 1643 CG ARG A 99 2.204 -3.225 -14.971 1.00 0.00 C ATOM 1644 CD ARG A 99 2.781 -2.942 -16.359 1.00 0.00 C ATOM 1645 NE ARG A 99 4.098 -3.625 -16.497 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.185 -4.916 -16.328 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.777 -5.726 -17.268 1.00 0.00 N ATOM 1648 NH2 ARG A 99 4.679 -5.398 -15.220 1.00 0.00 N ATOM 0 H ARG A 99 -0.510 -3.942 -14.180 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.318 -0.973 -14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.050 -1.072 -14.884 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.830 -1.863 -13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.985 -3.601 -14.310 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.440 -4.000 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.094 -3.294 -17.129 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.899 -1.868 -16.504 1.00 0.00 H new ATOM 0 HE ARG A 99 4.932 -3.083 -16.724 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.391 -5.349 -18.134 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.845 -6.735 -17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.997 -4.765 -14.486 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.747 -6.407 -15.088 1.00 0.00 H new ATOM 1662 N ARG A 100 -0.778 -1.302 -16.797 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.092 -1.539 -18.235 1.00 0.00 C ATOM 1664 C ARG A 100 0.119 -1.161 -19.091 1.00 0.00 C ATOM 1665 O ARG A 100 1.074 -0.582 -18.610 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.292 -0.683 -18.647 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.032 -1.356 -19.803 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.384 -0.670 -20.011 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.055 -1.241 -21.212 1.00 0.00 N ATOM 1670 CZ ARG A 100 -4.365 -1.481 -22.294 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -3.574 -0.564 -22.781 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -4.466 -2.639 -22.888 1.00 0.00 N ATOM 0 H ARG A 100 -1.039 -0.383 -16.440 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.330 -2.592 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.965 -0.551 -17.800 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.957 0.310 -18.946 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.437 -1.295 -20.714 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.178 -2.415 -19.588 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.012 -0.808 -19.131 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.243 0.403 -20.137 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.054 -1.445 -21.189 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.495 0.340 -22.316 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.035 -0.752 -23.626 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.084 -3.356 -22.507 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.927 -2.827 -23.733 1.00 0.00 H new ATOM 1686 N PHE A 101 0.086 -1.481 -20.356 1.00 0.00 N ATOM 1687 CA PHE A 101 1.235 -1.137 -21.241 1.00 0.00 C ATOM 1688 C PHE A 101 0.874 -1.456 -22.693 1.00 0.00 C ATOM 1689 O PHE A 101 1.327 -2.433 -23.254 1.00 0.00 O ATOM 1690 CB PHE A 101 2.460 -1.956 -20.830 1.00 0.00 C ATOM 1691 CG PHE A 101 3.711 -1.155 -21.096 1.00 0.00 C ATOM 1692 CD1 PHE A 101 4.134 -0.189 -20.173 1.00 0.00 C ATOM 1693 CD2 PHE A 101 4.450 -1.379 -22.265 1.00 0.00 C ATOM 1694 CE1 PHE A 101 5.295 0.555 -20.420 1.00 0.00 C ATOM 1695 CE2 PHE A 101 5.613 -0.635 -22.511 1.00 0.00 C ATOM 1696 CZ PHE A 101 6.034 0.331 -21.589 1.00 0.00 C ATOM 0 H PHE A 101 -0.686 -1.965 -20.814 1.00 0.00 H new ATOM 0 HA PHE A 101 1.460 -0.075 -21.146 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.399 -2.216 -19.773 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.489 -2.892 -21.388 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.565 -0.018 -19.271 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.124 -2.124 -22.976 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.620 1.301 -19.710 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.184 -0.807 -23.412 1.00 0.00 H new ATOM 0 HZ PHE A 101 6.929 0.904 -21.779 1.00 0.00 H new ATOM 1706 N PHE A 102 0.064 -0.637 -23.307 1.00 0.00 N ATOM 1707 CA PHE A 102 -0.322 -0.894 -24.724 1.00 0.00 C ATOM 1708 C PHE A 102 -0.883 -2.313 -24.853 1.00 0.00 C ATOM 1709 O PHE A 102 -1.344 -2.651 -25.931 1.00 0.00 O ATOM 1710 CB PHE A 102 0.908 -0.747 -25.622 1.00 0.00 C ATOM 1711 CG PHE A 102 0.913 0.626 -26.253 1.00 0.00 C ATOM 1712 CD1 PHE A 102 1.326 1.739 -25.507 1.00 0.00 C ATOM 1713 CD2 PHE A 102 0.504 0.787 -27.583 1.00 0.00 C ATOM 1714 CE1 PHE A 102 1.332 3.012 -26.093 1.00 0.00 C ATOM 1715 CE2 PHE A 102 0.510 2.061 -28.169 1.00 0.00 C ATOM 1716 CZ PHE A 102 0.923 3.173 -27.424 1.00 0.00 C ATOM 1717 OXT PHE A 102 -0.843 -3.036 -23.871 1.00 0.00 O ATOM 0 H PHE A 102 -0.347 0.198 -22.889 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.083 -0.175 -25.029 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.817 -0.893 -25.038 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.899 -1.514 -26.396 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.639 1.615 -24.481 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.184 -0.070 -28.157 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.652 3.869 -25.519 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.196 2.185 -29.195 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.926 4.154 -27.875 1.00 0.00 H new TER 1727 PHE A 102