USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 73 MET CE :methyl 179:sc= -0.0487 (180deg=-0.0585) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot -21:sc= 1.93 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -161:sc= 1.74 (180deg=1) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.5) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0.00705 USER MOD Set 4.1: A 53 MET CE :methyl -169:sc= -0.0246 (180deg=-0.214) USER MOD Set 4.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.11) USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.0565) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 GLN : amide:sc= 0.502 K(o=0.5,f=-0.55) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.317 X(o=0.32,f=-0.0054) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 71 GLN : amide:sc= 0.284 K(o=0.28,f=-3.3!) USER MOD Single : A 72 HIS : no HD1:sc= 0 K(o=0,f=-2!) USER MOD Single : A 76 CYS SG : rot 36:sc= 0.141 USER MOD Single : A 88 GLN : amide:sc= 0.803 K(o=0.8,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.384 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 177:sc= -0.24 (180deg=-0.313) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 11.601 2.431 5.499 1.00 0.00 N ATOM 38 CA ASN A 25 11.542 1.513 4.355 1.00 0.00 C ATOM 39 C ASN A 25 11.191 2.246 3.044 1.00 0.00 C ATOM 40 O ASN A 25 10.138 2.046 2.442 1.00 0.00 O ATOM 41 CB ASN A 25 10.604 0.344 4.711 1.00 0.00 C ATOM 42 CG ASN A 25 10.877 -0.255 6.085 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.058 -0.180 6.992 1.00 0.00 O ATOM 44 ND2 ASN A 25 12.041 -0.822 6.312 1.00 0.00 N ATOM 0 HA ASN A 25 12.527 1.090 4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.572 0.692 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.705 -0.436 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.255 -1.195 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.730 -0.889 5.563 1.00 0.00 H new ATOM 51 N GLN A 26 12.015 3.234 2.714 1.00 0.00 N ATOM 52 CA GLN A 26 11.844 4.261 1.671 1.00 0.00 C ATOM 53 C GLN A 26 13.206 4.926 1.361 1.00 0.00 C ATOM 54 O GLN A 26 14.235 4.513 1.900 1.00 0.00 O ATOM 55 CB GLN A 26 10.721 5.248 2.061 1.00 0.00 C ATOM 56 CG GLN A 26 10.660 5.687 3.537 1.00 0.00 C ATOM 57 CD GLN A 26 9.371 5.290 4.273 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.897 4.064 4.160 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.803 6.068 5.026 1.00 0.00 N flip ATOM 0 H GLN A 26 12.899 3.355 3.207 1.00 0.00 H new ATOM 0 HA GLN A 26 11.513 3.805 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.826 6.141 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.765 4.793 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.511 5.257 4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.770 6.770 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.150 7.021 5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.982 5.764 5.549 1.00 0.00 H new ATOM 68 N VAL A 27 13.243 5.908 0.452 1.00 0.00 N ATOM 69 CA VAL A 27 14.490 6.477 -0.104 1.00 0.00 C ATOM 70 C VAL A 27 14.993 7.657 0.745 1.00 0.00 C ATOM 71 O VAL A 27 14.348 8.032 1.725 1.00 0.00 O ATOM 72 CB VAL A 27 14.306 6.882 -1.594 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.670 5.719 -2.505 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.901 7.357 -1.989 1.00 0.00 C ATOM 0 H VAL A 27 12.400 6.340 0.073 1.00 0.00 H new ATOM 0 HA VAL A 27 15.255 5.702 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 27 14.972 7.736 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.537 6.016 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.710 5.438 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.025 4.869 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.888 7.613 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.181 6.561 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.635 8.235 -1.400 1.00 0.00 H new ATOM 84 N ARG A 28 16.206 8.151 0.434 1.00 0.00 N ATOM 85 CA ARG A 28 16.911 9.317 1.020 1.00 0.00 C ATOM 86 C ARG A 28 18.059 9.720 0.053 1.00 0.00 C ATOM 87 O ARG A 28 18.739 8.819 -0.443 1.00 0.00 O ATOM 88 CB ARG A 28 17.460 8.882 2.407 1.00 0.00 C ATOM 89 CG ARG A 28 17.941 10.000 3.349 1.00 0.00 C ATOM 90 CD ARG A 28 19.352 10.542 3.109 1.00 0.00 C ATOM 91 NE ARG A 28 20.389 9.546 3.449 1.00 0.00 N ATOM 92 CZ ARG A 28 21.665 9.562 3.100 1.00 0.00 C ATOM 93 NH1 ARG A 28 22.166 10.454 2.293 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.479 8.659 3.568 1.00 0.00 N ATOM 0 H ARG A 28 16.769 7.711 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 28 16.254 10.177 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.679 8.320 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.291 8.196 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.240 10.832 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.889 9.628 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.456 10.833 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.502 11.441 3.706 1.00 0.00 H new ATOM 0 HE ARG A 28 20.086 8.755 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.567 11.181 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 28 23.157 10.425 2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.132 7.940 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.463 8.671 3.299 1.00 0.00 H new ATOM 108 N PRO A 29 18.292 11.018 -0.241 1.00 0.00 N ATOM 109 CA PRO A 29 19.207 11.453 -1.307 1.00 0.00 C ATOM 110 C PRO A 29 20.591 11.925 -0.823 1.00 0.00 C ATOM 111 O PRO A 29 20.839 12.084 0.375 1.00 0.00 O ATOM 112 CB PRO A 29 18.458 12.626 -1.949 1.00 0.00 C ATOM 113 CG PRO A 29 17.864 13.325 -0.730 1.00 0.00 C ATOM 114 CD PRO A 29 17.498 12.160 0.198 1.00 0.00 C ATOM 0 HA PRO A 29 19.435 10.620 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.126 13.280 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.687 12.288 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.581 14.001 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.990 13.920 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.716 12.408 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.433 11.937 0.140 1.00 0.00 H new ATOM 122 N LYS A 30 21.469 12.207 -1.793 1.00 0.00 N ATOM 123 CA LYS A 30 22.754 12.916 -1.633 1.00 0.00 C ATOM 124 C LYS A 30 22.536 14.382 -2.042 1.00 0.00 C ATOM 125 O LYS A 30 21.603 14.664 -2.791 1.00 0.00 O ATOM 126 CB LYS A 30 23.831 12.194 -2.472 1.00 0.00 C ATOM 127 CG LYS A 30 25.257 12.699 -2.195 1.00 0.00 C ATOM 128 CD LYS A 30 26.291 12.028 -3.107 1.00 0.00 C ATOM 129 CE LYS A 30 27.669 12.656 -2.854 1.00 0.00 C ATOM 130 NZ LYS A 30 28.723 12.035 -3.704 1.00 0.00 N ATOM 0 H LYS A 30 21.298 11.935 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 30 23.108 12.910 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.785 11.125 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.606 12.325 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.293 13.779 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.514 12.507 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.325 10.956 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.007 12.153 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.623 13.726 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.934 12.540 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.639 12.485 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.784 11.018 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.483 12.168 -4.707 1.00 0.00 H new ATOM 144 N LEU A 31 23.388 15.316 -1.617 1.00 0.00 N ATOM 145 CA LEU A 31 23.244 16.764 -1.844 1.00 0.00 C ATOM 146 C LEU A 31 22.898 17.180 -3.302 1.00 0.00 C ATOM 147 O LEU A 31 21.972 17.978 -3.462 1.00 0.00 O ATOM 148 CB LEU A 31 24.505 17.442 -1.263 1.00 0.00 C ATOM 149 CG LEU A 31 24.607 18.959 -1.484 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.457 19.727 -0.827 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.922 19.483 -0.906 1.00 0.00 C ATOM 0 H LEU A 31 24.227 15.083 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 31 22.356 17.120 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.539 17.246 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.384 16.970 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 31 24.559 19.121 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.578 20.794 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.509 19.391 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.464 19.544 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.987 20.559 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.959 19.273 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.759 18.991 -1.402 1.00 0.00 H new ATOM 163 N PRO A 32 23.512 16.629 -4.375 1.00 0.00 N ATOM 164 CA PRO A 32 23.137 16.970 -5.757 1.00 0.00 C ATOM 165 C PRO A 32 21.732 16.507 -6.157 1.00 0.00 C ATOM 166 O PRO A 32 21.080 17.168 -6.962 1.00 0.00 O ATOM 167 CB PRO A 32 24.207 16.327 -6.651 1.00 0.00 C ATOM 168 CG PRO A 32 25.400 16.149 -5.715 1.00 0.00 C ATOM 169 CD PRO A 32 24.717 15.811 -4.395 1.00 0.00 C ATOM 0 HA PRO A 32 23.097 18.054 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.870 15.373 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.455 16.964 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 32 26.064 15.351 -6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.001 17.055 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.475 14.750 -4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.363 16.038 -3.547 1.00 0.00 H new ATOM 177 N LEU A 33 21.237 15.410 -5.571 1.00 0.00 N ATOM 178 CA LEU A 33 19.883 14.898 -5.816 1.00 0.00 C ATOM 179 C LEU A 33 18.839 15.589 -4.921 1.00 0.00 C ATOM 180 O LEU A 33 17.729 15.872 -5.369 1.00 0.00 O ATOM 181 CB LEU A 33 19.882 13.366 -5.674 1.00 0.00 C ATOM 182 CG LEU A 33 20.894 12.620 -6.570 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.669 11.113 -6.451 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.801 13.016 -8.046 1.00 0.00 C ATOM 0 H LEU A 33 21.770 14.848 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 33 19.588 15.139 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.088 13.114 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.881 12.997 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 33 21.887 12.901 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.384 10.587 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.807 10.805 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.655 10.870 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.539 12.456 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.802 12.791 -8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 20.996 14.084 -8.149 1.00 0.00 H new ATOM 196 N LEU A 34 19.221 15.970 -3.694 1.00 0.00 N ATOM 197 CA LEU A 34 18.415 16.827 -2.814 1.00 0.00 C ATOM 198 C LEU A 34 18.162 18.192 -3.460 1.00 0.00 C ATOM 199 O LEU A 34 17.057 18.707 -3.337 1.00 0.00 O ATOM 200 CB LEU A 34 19.120 16.936 -1.445 1.00 0.00 C ATOM 201 CG LEU A 34 18.438 17.817 -0.365 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.794 17.286 1.025 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.935 19.265 -0.425 1.00 0.00 C ATOM 0 H LEU A 34 20.109 15.688 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 34 17.432 16.384 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.230 15.930 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.125 17.324 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 34 17.365 17.784 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.315 17.904 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.446 16.258 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.875 17.317 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.436 19.853 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.012 19.287 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.711 19.686 -1.405 1.00 0.00 H new ATOM 215 N LYS A 35 19.133 18.737 -4.209 1.00 0.00 N ATOM 216 CA LYS A 35 19.019 20.020 -4.933 1.00 0.00 C ATOM 217 C LYS A 35 17.804 20.066 -5.870 1.00 0.00 C ATOM 218 O LYS A 35 17.088 21.064 -5.933 1.00 0.00 O ATOM 219 CB LYS A 35 20.320 20.255 -5.737 1.00 0.00 C ATOM 220 CG LYS A 35 20.737 21.732 -5.734 1.00 0.00 C ATOM 221 CD LYS A 35 21.450 22.124 -4.425 1.00 0.00 C ATOM 222 CE LYS A 35 22.919 21.668 -4.342 1.00 0.00 C ATOM 223 NZ LYS A 35 23.814 22.452 -5.243 1.00 0.00 N ATOM 0 H LYS A 35 20.042 18.290 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 35 18.873 20.810 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.122 19.651 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.177 19.920 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.398 21.925 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.855 22.359 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.411 23.208 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.902 21.698 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.268 21.765 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.983 20.611 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.790 22.106 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.500 22.340 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.776 23.458 -4.980 1.00 0.00 H new ATOM 237 N ILE A 36 17.551 18.944 -6.546 1.00 0.00 N ATOM 238 CA ILE A 36 16.480 18.758 -7.537 1.00 0.00 C ATOM 239 C ILE A 36 15.121 18.871 -6.844 1.00 0.00 C ATOM 240 O ILE A 36 14.293 19.696 -7.213 1.00 0.00 O ATOM 241 CB ILE A 36 16.648 17.394 -8.255 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.079 17.249 -8.821 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.616 17.219 -9.383 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.427 15.839 -9.301 1.00 0.00 C ATOM 0 H ILE A 36 18.109 18.101 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 36 16.540 19.537 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 36 16.477 16.612 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.200 17.943 -9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.793 17.545 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.763 16.252 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.610 17.267 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.743 18.013 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.448 15.826 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.341 15.140 -8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.740 15.545 -10.094 1.00 0.00 H new ATOM 256 N LEU A 37 14.917 18.116 -5.763 1.00 0.00 N ATOM 257 CA LEU A 37 13.689 18.192 -4.972 1.00 0.00 C ATOM 258 C LEU A 37 13.571 19.509 -4.166 1.00 0.00 C ATOM 259 O LEU A 37 12.464 20.013 -3.985 1.00 0.00 O ATOM 260 CB LEU A 37 13.512 16.880 -4.172 1.00 0.00 C ATOM 261 CG LEU A 37 12.772 15.718 -4.878 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.493 16.161 -5.588 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.611 14.949 -5.891 1.00 0.00 C ATOM 0 H LEU A 37 15.595 17.439 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 37 12.825 18.258 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.501 16.525 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.975 17.114 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 37 12.535 15.056 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.023 15.299 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.806 16.596 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.737 16.904 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.009 14.155 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.949 15.628 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.476 14.513 -5.391 1.00 0.00 H new ATOM 275 N HIS A 38 14.676 20.129 -3.735 1.00 0.00 N ATOM 276 CA HIS A 38 14.690 21.488 -3.153 1.00 0.00 C ATOM 277 C HIS A 38 14.222 22.566 -4.142 1.00 0.00 C ATOM 278 O HIS A 38 13.516 23.486 -3.728 1.00 0.00 O ATOM 279 CB HIS A 38 16.090 21.841 -2.613 1.00 0.00 C ATOM 280 CG HIS A 38 16.234 21.704 -1.115 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.930 22.596 -0.293 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.669 20.736 -0.335 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.765 22.148 0.963 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.012 21.034 0.968 1.00 0.00 N ATOM 0 H HIS A 38 15.601 19.700 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 38 13.977 21.474 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.825 21.198 -3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.327 22.866 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.071 19.902 -0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.179 22.616 1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.741 20.500 1.794 1.00 0.00 H new ATOM 292 N ALA A 39 14.509 22.430 -5.445 1.00 0.00 N ATOM 293 CA ALA A 39 13.931 23.306 -6.475 1.00 0.00 C ATOM 294 C ALA A 39 12.386 23.229 -6.537 1.00 0.00 C ATOM 295 O ALA A 39 11.735 24.156 -7.025 1.00 0.00 O ATOM 296 CB ALA A 39 14.545 22.974 -7.841 1.00 0.00 C ATOM 0 H ALA A 39 15.141 21.718 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 39 14.175 24.332 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.114 23.625 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.624 23.126 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.334 21.934 -8.092 1.00 0.00 H new ATOM 302 N ALA A 40 11.802 22.146 -6.005 1.00 0.00 N ATOM 303 CA ALA A 40 10.365 21.930 -5.838 1.00 0.00 C ATOM 304 C ALA A 40 9.870 22.093 -4.381 1.00 0.00 C ATOM 305 O ALA A 40 8.785 21.617 -4.041 1.00 0.00 O ATOM 306 CB ALA A 40 10.033 20.558 -6.426 1.00 0.00 C ATOM 0 H ALA A 40 12.352 21.358 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 40 9.825 22.710 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.966 20.364 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.300 20.541 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.597 19.789 -5.897 1.00 0.00 H new ATOM 312 N GLY A 41 10.655 22.739 -3.508 1.00 0.00 N ATOM 313 CA GLY A 41 10.265 23.073 -2.130 1.00 0.00 C ATOM 314 C GLY A 41 10.168 21.886 -1.157 1.00 0.00 C ATOM 315 O GLY A 41 9.525 22.012 -0.113 1.00 0.00 O ATOM 0 H GLY A 41 11.597 23.050 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.985 23.788 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.298 23.576 -2.158 1.00 0.00 H new ATOM 319 N ALA A 42 10.765 20.737 -1.493 1.00 0.00 N ATOM 320 CA ALA A 42 10.739 19.514 -0.698 1.00 0.00 C ATOM 321 C ALA A 42 11.840 19.488 0.391 1.00 0.00 C ATOM 322 O ALA A 42 12.521 20.485 0.644 1.00 0.00 O ATOM 323 CB ALA A 42 10.953 18.366 -1.684 1.00 0.00 C ATOM 0 H ALA A 42 11.297 20.634 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 42 9.791 19.437 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.944 17.418 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.155 18.370 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.914 18.490 -2.184 1.00 0.00 H new ATOM 329 N GLN A 43 12.088 18.299 0.961 1.00 0.00 N ATOM 330 CA GLN A 43 13.222 18.005 1.857 1.00 0.00 C ATOM 331 C GLN A 43 14.059 16.828 1.320 1.00 0.00 C ATOM 332 O GLN A 43 14.283 15.824 1.995 1.00 0.00 O ATOM 333 CB GLN A 43 12.734 17.781 3.303 1.00 0.00 C ATOM 334 CG GLN A 43 11.887 18.907 3.930 1.00 0.00 C ATOM 335 CD GLN A 43 10.434 18.942 3.443 1.00 0.00 C ATOM 336 OE1 GLN A 43 9.973 19.896 2.830 1.00 0.00 O ATOM 337 NE2 GLN A 43 9.648 17.914 3.693 1.00 0.00 N ATOM 0 H GLN A 43 11.487 17.489 0.808 1.00 0.00 H new ATOM 0 HA GLN A 43 13.883 18.871 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.149 16.862 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.607 17.619 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.893 18.791 5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.356 19.866 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.010 17.108 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.678 17.925 3.377 1.00 0.00 H new ATOM 346 N GLY A 44 14.483 16.924 0.058 1.00 0.00 N ATOM 347 CA GLY A 44 15.193 15.865 -0.643 1.00 0.00 C ATOM 348 C GLY A 44 14.261 14.737 -1.077 1.00 0.00 C ATOM 349 O GLY A 44 13.303 14.972 -1.795 1.00 0.00 O ATOM 0 H GLY A 44 14.337 17.758 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.690 16.281 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.972 15.462 0.004 1.00 0.00 H new ATOM 353 N GLU A 45 14.564 13.507 -0.669 1.00 0.00 N ATOM 354 CA GLU A 45 13.848 12.272 -1.038 1.00 0.00 C ATOM 355 C GLU A 45 13.715 11.312 0.149 1.00 0.00 C ATOM 356 O GLU A 45 13.553 10.117 -0.041 1.00 0.00 O ATOM 357 CB GLU A 45 14.508 11.580 -2.250 1.00 0.00 C ATOM 358 CG GLU A 45 14.516 12.431 -3.520 1.00 0.00 C ATOM 359 CD GLU A 45 14.986 11.585 -4.719 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.215 11.501 -4.958 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.127 10.990 -5.413 1.00 0.00 O ATOM 0 H GLU A 45 15.350 13.328 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 45 12.839 12.562 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.535 11.319 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.983 10.646 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.517 12.824 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.176 13.289 -3.389 1.00 0.00 H new ATOM 368 N MET A 46 13.848 11.823 1.379 1.00 0.00 N ATOM 369 CA MET A 46 13.966 11.055 2.634 1.00 0.00 C ATOM 370 C MET A 46 12.633 10.486 3.159 1.00 0.00 C ATOM 371 O MET A 46 12.308 10.558 4.346 1.00 0.00 O ATOM 372 CB MET A 46 14.761 11.886 3.636 1.00 0.00 C ATOM 373 CG MET A 46 14.048 13.129 4.161 1.00 0.00 C ATOM 374 SD MET A 46 15.054 14.110 5.308 1.00 0.00 S ATOM 375 CE MET A 46 13.763 15.179 5.999 1.00 0.00 C ATOM 0 H MET A 46 13.878 12.830 1.539 1.00 0.00 H new ATOM 0 HA MET A 46 14.524 10.139 2.440 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.022 11.252 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 46 15.696 12.194 3.168 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.758 13.755 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.129 12.826 4.664 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.218 15.925 6.650 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.233 15.679 5.189 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.061 14.576 6.574 1.00 0.00 H new ATOM 385 N PHE A 47 11.841 9.956 2.233 1.00 0.00 N ATOM 386 CA PHE A 47 10.433 9.587 2.417 1.00 0.00 C ATOM 387 C PHE A 47 9.878 8.698 1.284 1.00 0.00 C ATOM 388 O PHE A 47 10.564 8.394 0.309 1.00 0.00 O ATOM 389 CB PHE A 47 9.638 10.895 2.583 1.00 0.00 C ATOM 390 CG PHE A 47 10.077 12.032 1.670 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.903 11.919 0.280 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.733 13.164 2.195 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.292 12.967 -0.567 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.188 14.179 1.341 1.00 0.00 C ATOM 395 CZ PHE A 47 10.922 14.103 -0.034 1.00 0.00 C ATOM 0 H PHE A 47 12.174 9.761 1.289 1.00 0.00 H new ATOM 0 HA PHE A 47 10.334 8.965 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.584 10.688 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.723 11.226 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.468 11.023 -0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.886 13.250 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.107 12.900 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.741 15.016 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.202 14.919 -0.684 1.00 0.00 H new ATOM 405 N THR A 48 8.636 8.234 1.445 1.00 0.00 N ATOM 406 CA THR A 48 7.953 7.210 0.623 1.00 0.00 C ATOM 407 C THR A 48 7.689 7.638 -0.830 1.00 0.00 C ATOM 408 O THR A 48 7.721 8.821 -1.176 1.00 0.00 O ATOM 409 CB THR A 48 6.624 6.787 1.310 1.00 0.00 C ATOM 410 OG1 THR A 48 6.670 7.040 2.701 1.00 0.00 O ATOM 411 CG2 THR A 48 6.318 5.294 1.165 1.00 0.00 C ATOM 0 H THR A 48 8.037 8.579 2.196 1.00 0.00 H new ATOM 0 HA THR A 48 8.638 6.364 0.560 1.00 0.00 H new ATOM 0 HB THR A 48 5.854 7.374 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.823 6.767 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.378 5.065 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.237 5.040 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.121 4.712 1.617 1.00 0.00 H new ATOM 419 N VAL A 49 7.347 6.659 -1.682 1.00 0.00 N ATOM 420 CA VAL A 49 7.050 6.828 -3.125 1.00 0.00 C ATOM 421 C VAL A 49 6.015 7.930 -3.373 1.00 0.00 C ATOM 422 O VAL A 49 6.212 8.807 -4.213 1.00 0.00 O ATOM 423 CB VAL A 49 6.561 5.494 -3.741 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.218 5.638 -5.229 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.614 4.395 -3.556 1.00 0.00 C ATOM 0 H VAL A 49 7.265 5.688 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 49 7.979 7.129 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 49 5.650 5.215 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.880 4.678 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.427 6.378 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.103 5.961 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.251 3.466 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.540 4.692 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.800 4.245 -2.493 1.00 0.00 H new ATOM 435 N LYS A 50 4.946 7.938 -2.571 1.00 0.00 N ATOM 436 CA LYS A 50 3.879 8.945 -2.662 1.00 0.00 C ATOM 437 C LYS A 50 4.339 10.367 -2.336 1.00 0.00 C ATOM 438 O LYS A 50 3.816 11.319 -2.907 1.00 0.00 O ATOM 439 CB LYS A 50 2.651 8.510 -1.839 1.00 0.00 C ATOM 440 CG LYS A 50 2.948 8.342 -0.338 1.00 0.00 C ATOM 441 CD LYS A 50 1.700 7.926 0.451 1.00 0.00 C ATOM 442 CE LYS A 50 2.083 7.679 1.917 1.00 0.00 C ATOM 443 NZ LYS A 50 0.892 7.347 2.748 1.00 0.00 N ATOM 0 H LYS A 50 4.794 7.245 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 50 3.582 8.994 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.859 9.248 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.273 7.567 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.728 7.593 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.334 9.279 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.940 8.705 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.267 7.023 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.804 6.864 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.572 8.566 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.189 7.187 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.215 8.136 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.440 6.487 2.378 1.00 0.00 H new ATOM 457 N GLU A 51 5.340 10.512 -1.468 1.00 0.00 N ATOM 458 CA GLU A 51 5.923 11.809 -1.126 1.00 0.00 C ATOM 459 C GLU A 51 6.908 12.278 -2.210 1.00 0.00 C ATOM 460 O GLU A 51 6.738 13.387 -2.713 1.00 0.00 O ATOM 461 CB GLU A 51 6.556 11.753 0.276 1.00 0.00 C ATOM 462 CG GLU A 51 5.561 11.462 1.408 1.00 0.00 C ATOM 463 CD GLU A 51 4.475 12.550 1.533 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.734 13.602 2.167 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.347 12.354 1.019 1.00 0.00 O ATOM 0 H GLU A 51 5.772 9.728 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 51 5.132 12.558 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.330 10.985 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.049 12.704 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.086 10.497 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.102 11.382 2.351 1.00 0.00 H new ATOM 472 N VAL A 52 7.857 11.444 -2.676 1.00 0.00 N ATOM 473 CA VAL A 52 8.748 11.833 -3.808 1.00 0.00 C ATOM 474 C VAL A 52 7.965 12.243 -5.051 1.00 0.00 C ATOM 475 O VAL A 52 8.255 13.268 -5.666 1.00 0.00 O ATOM 476 CB VAL A 52 9.759 10.750 -4.204 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.817 10.530 -3.119 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.207 9.373 -4.541 1.00 0.00 C ATOM 0 H VAL A 52 8.032 10.512 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 52 9.301 12.689 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 52 10.167 11.172 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.512 9.755 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.362 11.458 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.331 10.220 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.028 8.706 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.676 8.973 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.521 9.452 -5.384 1.00 0.00 H new ATOM 488 N MET A 53 6.944 11.467 -5.399 1.00 0.00 N ATOM 489 CA MET A 53 6.134 11.719 -6.597 1.00 0.00 C ATOM 490 C MET A 53 5.219 12.952 -6.451 1.00 0.00 C ATOM 491 O MET A 53 4.967 13.640 -7.438 1.00 0.00 O ATOM 492 CB MET A 53 5.399 10.443 -7.031 1.00 0.00 C ATOM 493 CG MET A 53 4.065 10.212 -6.318 1.00 0.00 C ATOM 494 SD MET A 53 3.293 8.606 -6.659 1.00 0.00 S ATOM 495 CE MET A 53 3.031 8.750 -8.449 1.00 0.00 C ATOM 0 H MET A 53 6.652 10.649 -4.865 1.00 0.00 H new ATOM 0 HA MET A 53 6.809 11.983 -7.411 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.220 10.488 -8.105 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.047 9.585 -6.851 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.222 10.304 -5.243 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.372 11.002 -6.607 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.392 7.936 -8.790 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.553 9.704 -8.671 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.991 8.697 -8.963 1.00 0.00 H new ATOM 505 N HIS A 54 4.790 13.285 -5.226 1.00 0.00 N ATOM 506 CA HIS A 54 4.096 14.540 -4.896 1.00 0.00 C ATOM 507 C HIS A 54 4.992 15.750 -5.211 1.00 0.00 C ATOM 508 O HIS A 54 4.654 16.564 -6.076 1.00 0.00 O ATOM 509 CB HIS A 54 3.648 14.500 -3.419 1.00 0.00 C ATOM 510 CG HIS A 54 3.601 15.846 -2.743 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.842 16.943 -3.159 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.432 16.235 -1.732 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.243 17.969 -2.388 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.183 17.570 -1.515 1.00 0.00 N ATOM 0 H HIS A 54 4.918 12.676 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 54 3.203 14.648 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.659 14.046 -3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.327 13.852 -2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.144 15.616 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.861 18.977 -2.461 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.634 18.156 -0.813 1.00 0.00 H new ATOM 522 N TYR A 55 6.174 15.826 -4.587 1.00 0.00 N ATOM 523 CA TYR A 55 7.171 16.856 -4.872 1.00 0.00 C ATOM 524 C TYR A 55 7.614 16.885 -6.351 1.00 0.00 C ATOM 525 O TYR A 55 7.854 17.969 -6.880 1.00 0.00 O ATOM 526 CB TYR A 55 8.380 16.688 -3.946 1.00 0.00 C ATOM 527 CG TYR A 55 8.095 16.735 -2.454 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.654 17.927 -1.850 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.340 15.606 -1.653 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.424 17.985 -0.461 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.089 15.648 -0.267 1.00 0.00 C ATOM 532 CZ TYR A 55 7.632 16.840 0.336 1.00 0.00 C ATOM 533 OH TYR A 55 7.406 16.897 1.679 1.00 0.00 O ATOM 0 H TYR A 55 6.464 15.167 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 55 6.695 17.818 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.856 15.734 -4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.103 17.469 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.490 18.805 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.723 14.702 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.089 18.906 -0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.247 14.766 0.336 1.00 0.00 H new ATOM 0 HH TYR A 55 7.596 16.023 2.080 1.00 0.00 H new ATOM 543 N LEU A 56 7.670 15.748 -7.060 1.00 0.00 N ATOM 544 CA LEU A 56 7.973 15.726 -8.500 1.00 0.00 C ATOM 545 C LEU A 56 6.838 16.267 -9.384 1.00 0.00 C ATOM 546 O LEU A 56 7.132 16.947 -10.364 1.00 0.00 O ATOM 547 CB LEU A 56 8.403 14.322 -8.961 1.00 0.00 C ATOM 548 CG LEU A 56 9.842 13.940 -8.567 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.115 12.493 -8.970 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.892 14.831 -9.234 1.00 0.00 C ATOM 0 H LEU A 56 7.508 14.825 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 56 8.810 16.412 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.716 13.588 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.308 14.263 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 56 9.920 14.073 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.134 12.224 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.412 11.834 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.994 12.387 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.888 14.517 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.808 14.744 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.729 15.868 -8.940 1.00 0.00 H new ATOM 562 N GLY A 57 5.564 16.062 -9.040 1.00 0.00 N ATOM 563 CA GLY A 57 4.445 16.696 -9.754 1.00 0.00 C ATOM 564 C GLY A 57 4.565 18.227 -9.756 1.00 0.00 C ATOM 565 O GLY A 57 4.533 18.870 -10.811 1.00 0.00 O ATOM 0 H GLY A 57 5.278 15.460 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.416 16.332 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.504 16.406 -9.286 1.00 0.00 H new ATOM 569 N GLN A 58 4.843 18.812 -8.584 1.00 0.00 N ATOM 570 CA GLN A 58 5.124 20.248 -8.465 1.00 0.00 C ATOM 571 C GLN A 58 6.484 20.653 -9.071 1.00 0.00 C ATOM 572 O GLN A 58 6.563 21.738 -9.639 1.00 0.00 O ATOM 573 CB GLN A 58 4.837 20.773 -7.045 1.00 0.00 C ATOM 574 CG GLN A 58 5.725 20.191 -5.939 1.00 0.00 C ATOM 575 CD GLN A 58 5.257 20.534 -4.520 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.078 20.695 -4.229 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.158 20.622 -3.563 1.00 0.00 N ATOM 0 H GLN A 58 4.879 18.308 -7.698 1.00 0.00 H new ATOM 0 HA GLN A 58 4.412 20.778 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.951 21.857 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.796 20.562 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.759 19.107 -6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.743 20.557 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.146 20.492 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.867 20.820 -2.606 1.00 0.00 H new ATOM 586 N TYR A 59 7.525 19.802 -9.059 1.00 0.00 N ATOM 587 CA TYR A 59 8.768 20.051 -9.819 1.00 0.00 C ATOM 588 C TYR A 59 8.467 20.268 -11.305 1.00 0.00 C ATOM 589 O TYR A 59 8.828 21.304 -11.855 1.00 0.00 O ATOM 590 CB TYR A 59 9.780 18.896 -9.676 1.00 0.00 C ATOM 591 CG TYR A 59 11.117 19.141 -10.361 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.289 18.830 -11.728 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.204 19.657 -9.631 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.544 18.998 -12.349 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.452 19.841 -10.253 1.00 0.00 C ATOM 596 CZ TYR A 59 13.634 19.487 -11.601 1.00 0.00 C ATOM 597 OH TYR A 59 14.868 19.630 -12.149 1.00 0.00 O ATOM 0 H TYR A 59 7.532 18.931 -8.529 1.00 0.00 H new ATOM 0 HA TYR A 59 9.211 20.953 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.957 18.714 -8.616 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.337 17.988 -10.086 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.452 18.460 -12.302 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.079 19.913 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.669 18.753 -13.393 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.275 20.257 -9.691 1.00 0.00 H new ATOM 0 HH TYR A 59 14.940 19.063 -12.945 1.00 0.00 H new ATOM 607 N ILE A 60 7.751 19.333 -11.939 1.00 0.00 N ATOM 608 CA ILE A 60 7.353 19.410 -13.355 1.00 0.00 C ATOM 609 C ILE A 60 6.509 20.668 -13.597 1.00 0.00 C ATOM 610 O ILE A 60 6.734 21.381 -14.573 1.00 0.00 O ATOM 611 CB ILE A 60 6.571 18.137 -13.750 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.414 16.849 -13.598 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.054 18.235 -15.197 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.518 15.619 -13.397 1.00 0.00 C ATOM 0 H ILE A 60 7.424 18.485 -11.477 1.00 0.00 H new ATOM 0 HA ILE A 60 8.246 19.474 -13.977 1.00 0.00 H new ATOM 0 HB ILE A 60 5.729 18.073 -13.060 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.033 16.710 -14.484 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.090 16.952 -12.749 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.507 17.327 -15.450 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.391 19.095 -15.289 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.897 18.352 -15.878 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.139 14.729 -13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.918 15.749 -12.497 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.860 15.504 -14.258 1.00 0.00 H new ATOM 626 N MET A 61 5.579 20.984 -12.690 1.00 0.00 N ATOM 627 CA MET A 61 4.733 22.178 -12.803 1.00 0.00 C ATOM 628 C MET A 61 5.511 23.507 -12.654 1.00 0.00 C ATOM 629 O MET A 61 5.161 24.495 -13.300 1.00 0.00 O ATOM 630 CB MET A 61 3.579 22.038 -11.800 1.00 0.00 C ATOM 631 CG MET A 61 2.442 23.047 -12.017 1.00 0.00 C ATOM 632 SD MET A 61 1.725 23.144 -13.689 1.00 0.00 S ATOM 633 CE MET A 61 1.252 21.418 -13.994 1.00 0.00 C ATOM 0 H MET A 61 5.391 20.422 -11.860 1.00 0.00 H new ATOM 0 HA MET A 61 4.332 22.234 -13.815 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.173 21.028 -11.866 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.971 22.159 -10.790 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.640 22.808 -11.319 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.813 24.037 -11.750 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.800 21.334 -14.982 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.137 20.784 -13.944 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.534 21.099 -13.239 1.00 0.00 H new ATOM 643 N VAL A 62 6.605 23.536 -11.877 1.00 0.00 N ATOM 644 CA VAL A 62 7.519 24.694 -11.749 1.00 0.00 C ATOM 645 C VAL A 62 8.458 24.804 -12.955 1.00 0.00 C ATOM 646 O VAL A 62 8.522 25.860 -13.591 1.00 0.00 O ATOM 647 CB VAL A 62 8.291 24.640 -10.418 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.449 25.643 -10.328 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.352 24.926 -9.240 1.00 0.00 C ATOM 0 H VAL A 62 6.890 22.740 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 62 6.914 25.601 -11.738 1.00 0.00 H new ATOM 0 HB VAL A 62 8.705 23.632 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.943 25.543 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.166 25.443 -11.124 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.062 26.656 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.915 24.884 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.915 25.918 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.558 24.180 -9.219 1.00 0.00 H new ATOM 659 N LYS A 63 9.136 23.703 -13.321 1.00 0.00 N ATOM 660 CA LYS A 63 10.007 23.613 -14.514 1.00 0.00 C ATOM 661 C LYS A 63 9.232 23.749 -15.833 1.00 0.00 C ATOM 662 O LYS A 63 9.843 24.032 -16.862 1.00 0.00 O ATOM 663 CB LYS A 63 10.817 22.291 -14.492 1.00 0.00 C ATOM 664 CG LYS A 63 12.336 22.508 -14.404 1.00 0.00 C ATOM 665 CD LYS A 63 12.781 23.027 -13.026 1.00 0.00 C ATOM 666 CE LYS A 63 14.262 23.443 -13.010 1.00 0.00 C ATOM 667 NZ LYS A 63 15.198 22.295 -13.173 1.00 0.00 N ATOM 0 H LYS A 63 9.096 22.833 -12.789 1.00 0.00 H new ATOM 0 HA LYS A 63 10.693 24.459 -14.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.493 21.689 -13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.590 21.720 -15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.846 21.569 -14.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.643 23.218 -15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.163 23.880 -12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.615 22.252 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.439 24.163 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.480 23.950 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.144 22.569 -12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.856 21.486 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.248 22.028 -14.177 1.00 0.00 H new ATOM 681 N GLN A 64 7.901 23.597 -15.783 1.00 0.00 N ATOM 682 CA GLN A 64 6.919 23.810 -16.857 1.00 0.00 C ATOM 683 C GLN A 64 7.339 23.192 -18.202 1.00 0.00 C ATOM 684 O GLN A 64 7.206 23.791 -19.271 1.00 0.00 O ATOM 685 CB GLN A 64 6.421 25.268 -16.869 1.00 0.00 C ATOM 686 CG GLN A 64 7.486 26.341 -17.151 1.00 0.00 C ATOM 687 CD GLN A 64 7.041 27.715 -16.659 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.512 28.538 -17.398 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.233 28.012 -15.388 1.00 0.00 N ATOM 0 H GLN A 64 7.446 23.298 -14.921 1.00 0.00 H new ATOM 0 HA GLN A 64 6.023 23.230 -16.637 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.636 25.357 -17.620 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.964 25.483 -15.903 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.421 26.064 -16.663 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.686 26.384 -18.222 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.672 27.333 -14.766 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.942 28.921 -15.027 1.00 0.00 H new ATOM 698 N LEU A 65 7.872 21.966 -18.111 1.00 0.00 N ATOM 699 CA LEU A 65 8.547 21.240 -19.193 1.00 0.00 C ATOM 700 C LEU A 65 7.633 20.185 -19.860 1.00 0.00 C ATOM 701 O LEU A 65 8.096 19.249 -20.505 1.00 0.00 O ATOM 702 CB LEU A 65 9.884 20.709 -18.622 1.00 0.00 C ATOM 703 CG LEU A 65 10.991 20.340 -19.633 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.300 21.458 -20.632 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.285 20.047 -18.868 1.00 0.00 C ATOM 0 H LEU A 65 7.843 21.431 -17.243 1.00 0.00 H new ATOM 0 HA LEU A 65 8.779 21.898 -20.031 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.284 21.463 -17.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.667 19.825 -18.022 1.00 0.00 H new ATOM 0 HG LEU A 65 10.625 19.477 -20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.086 21.131 -21.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.402 21.695 -21.203 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.632 22.346 -20.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.073 19.785 -19.574 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.582 20.931 -18.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.122 19.216 -18.182 1.00 0.00 H new ATOM 717 N TYR A 66 6.319 20.328 -19.687 1.00 0.00 N ATOM 718 CA TYR A 66 5.272 19.555 -20.364 1.00 0.00 C ATOM 719 C TYR A 66 4.848 20.206 -21.695 1.00 0.00 C ATOM 720 O TYR A 66 5.171 21.367 -21.967 1.00 0.00 O ATOM 721 CB TYR A 66 4.085 19.380 -19.403 1.00 0.00 C ATOM 722 CG TYR A 66 3.579 20.679 -18.802 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.731 21.522 -19.545 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.006 21.068 -17.518 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.316 22.758 -19.012 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.574 22.292 -16.972 1.00 0.00 C ATOM 727 CZ TYR A 66 2.736 23.146 -17.720 1.00 0.00 C ATOM 728 OH TYR A 66 2.353 24.344 -17.198 1.00 0.00 O ATOM 0 H TYR A 66 5.935 21.018 -19.041 1.00 0.00 H new ATOM 0 HA TYR A 66 5.664 18.572 -20.626 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.267 18.896 -19.937 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.380 18.709 -18.596 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.398 21.220 -20.527 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.665 20.427 -16.951 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.677 23.409 -19.591 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.885 22.578 -15.978 1.00 0.00 H new ATOM 0 HH TYR A 66 2.732 24.446 -16.300 1.00 0.00 H new ATOM 738 N ASP A 67 4.111 19.476 -22.538 1.00 0.00 N ATOM 739 CA ASP A 67 3.605 20.014 -23.809 1.00 0.00 C ATOM 740 C ASP A 67 2.396 20.950 -23.602 1.00 0.00 C ATOM 741 O ASP A 67 1.448 20.615 -22.889 1.00 0.00 O ATOM 742 CB ASP A 67 3.264 18.875 -24.784 1.00 0.00 C ATOM 743 CG ASP A 67 3.209 19.356 -26.246 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.523 20.368 -26.524 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.871 18.736 -27.112 1.00 0.00 O ATOM 0 H ASP A 67 3.849 18.506 -22.363 1.00 0.00 H new ATOM 0 HA ASP A 67 4.401 20.616 -24.248 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.009 18.085 -24.691 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.303 18.440 -24.510 1.00 0.00 H new ATOM 750 N GLN A 68 2.394 22.100 -24.285 1.00 0.00 N ATOM 751 CA GLN A 68 1.262 23.039 -24.366 1.00 0.00 C ATOM 752 C GLN A 68 -0.069 22.356 -24.749 1.00 0.00 C ATOM 753 O GLN A 68 -1.128 22.716 -24.229 1.00 0.00 O ATOM 754 CB GLN A 68 1.533 24.138 -25.418 1.00 0.00 C ATOM 755 CG GLN A 68 2.982 24.652 -25.527 1.00 0.00 C ATOM 756 CD GLN A 68 3.736 24.157 -26.771 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.405 24.928 -27.448 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.703 22.890 -27.147 1.00 0.00 N ATOM 0 H GLN A 68 3.206 22.416 -24.815 1.00 0.00 H new ATOM 0 HA GLN A 68 1.168 23.461 -23.365 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.234 23.756 -26.394 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.887 24.987 -25.197 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.969 25.742 -25.534 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.532 24.345 -24.637 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.158 22.213 -26.612 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.222 22.589 -27.972 1.00 0.00 H new ATOM 767 N GLN A 69 -0.010 21.383 -25.667 1.00 0.00 N ATOM 768 CA GLN A 69 -1.167 20.689 -26.238 1.00 0.00 C ATOM 769 C GLN A 69 -1.574 19.439 -25.440 1.00 0.00 C ATOM 770 O GLN A 69 -2.701 18.957 -25.574 1.00 0.00 O ATOM 771 CB GLN A 69 -0.880 20.333 -27.710 1.00 0.00 C ATOM 772 CG GLN A 69 -0.333 21.487 -28.577 1.00 0.00 C ATOM 773 CD GLN A 69 -1.183 22.762 -28.576 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.388 22.765 -28.352 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.584 23.907 -28.840 1.00 0.00 N ATOM 0 H GLN A 69 0.876 21.047 -26.044 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.016 21.370 -26.183 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.163 19.512 -27.734 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.801 19.966 -28.163 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.670 21.737 -28.230 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.236 21.135 -29.604 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.418 23.927 -29.029 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.123 24.773 -28.855 1.00 0.00 H new ATOM 784 N GLU A 70 -0.673 18.918 -24.602 1.00 0.00 N ATOM 785 CA GLU A 70 -0.915 17.759 -23.738 1.00 0.00 C ATOM 786 C GLU A 70 -0.030 17.805 -22.484 1.00 0.00 C ATOM 787 O GLU A 70 1.078 17.269 -22.438 1.00 0.00 O ATOM 788 CB GLU A 70 -0.781 16.422 -24.499 1.00 0.00 C ATOM 789 CG GLU A 70 0.322 16.360 -25.570 1.00 0.00 C ATOM 790 CD GLU A 70 0.273 15.030 -26.350 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.691 14.809 -27.126 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.214 14.206 -26.233 1.00 0.00 O ATOM 0 H GLU A 70 0.268 19.300 -24.503 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.952 17.815 -23.406 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.598 15.630 -23.772 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.736 16.202 -24.977 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.207 17.194 -26.262 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.298 16.471 -25.097 1.00 0.00 H new ATOM 799 N GLN A 71 -0.583 18.395 -21.421 1.00 0.00 N ATOM 800 CA GLN A 71 0.009 18.459 -20.079 1.00 0.00 C ATOM 801 C GLN A 71 0.311 17.061 -19.500 1.00 0.00 C ATOM 802 O GLN A 71 1.128 16.932 -18.587 1.00 0.00 O ATOM 803 CB GLN A 71 -0.955 19.213 -19.142 1.00 0.00 C ATOM 804 CG GLN A 71 -1.048 20.732 -19.398 1.00 0.00 C ATOM 805 CD GLN A 71 -1.680 21.144 -20.735 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.523 20.464 -21.309 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.299 22.277 -21.286 1.00 0.00 N ATOM 0 H GLN A 71 -1.490 18.859 -21.472 1.00 0.00 H new ATOM 0 HA GLN A 71 0.960 18.985 -20.158 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.950 18.780 -19.242 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.639 19.051 -18.111 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.624 21.183 -18.590 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.044 21.153 -19.347 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.599 22.858 -20.825 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.704 22.574 -22.174 1.00 0.00 H new ATOM 816 N HIS A 72 -0.318 16.012 -20.053 1.00 0.00 N ATOM 817 CA HIS A 72 -0.077 14.613 -19.694 1.00 0.00 C ATOM 818 C HIS A 72 1.346 14.134 -20.058 1.00 0.00 C ATOM 819 O HIS A 72 1.852 13.198 -19.432 1.00 0.00 O ATOM 820 CB HIS A 72 -1.183 13.725 -20.312 1.00 0.00 C ATOM 821 CG HIS A 72 -0.709 12.775 -21.390 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.323 13.147 -22.678 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.494 11.436 -21.236 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.130 12.028 -23.268 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.029 10.983 -22.428 1.00 0.00 N ATOM 0 H HIS A 72 -1.025 16.120 -20.780 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.128 14.525 -18.609 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.650 13.145 -19.516 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.955 14.370 -20.731 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.694 10.847 -20.353 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.520 11.975 -24.274 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.294 10.020 -22.637 1.00 0.00 H new ATOM 833 N MET A 73 1.984 14.774 -21.047 1.00 0.00 N ATOM 834 CA MET A 73 3.306 14.445 -21.586 1.00 0.00 C ATOM 835 C MET A 73 4.373 15.406 -21.041 1.00 0.00 C ATOM 836 O MET A 73 4.189 16.624 -21.066 1.00 0.00 O ATOM 837 CB MET A 73 3.248 14.493 -23.122 1.00 0.00 C ATOM 838 CG MET A 73 4.578 14.128 -23.788 1.00 0.00 C ATOM 839 SD MET A 73 5.181 12.460 -23.412 1.00 0.00 S ATOM 840 CE MET A 73 6.747 12.512 -24.320 1.00 0.00 C ATOM 0 H MET A 73 1.567 15.578 -21.516 1.00 0.00 H new ATOM 0 HA MET A 73 3.586 13.440 -21.271 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.474 13.809 -23.471 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.954 15.494 -23.437 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.466 14.224 -24.868 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.333 14.851 -23.480 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.274 11.567 -24.190 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.548 12.674 -25.379 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.362 13.326 -23.938 1.00 0.00 H new ATOM 850 N VAL A 74 5.501 14.864 -20.577 1.00 0.00 N ATOM 851 CA VAL A 74 6.555 15.577 -19.839 1.00 0.00 C ATOM 852 C VAL A 74 7.917 15.353 -20.506 1.00 0.00 C ATOM 853 O VAL A 74 8.319 14.217 -20.759 1.00 0.00 O ATOM 854 CB VAL A 74 6.596 15.101 -18.370 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.647 15.871 -17.562 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.238 15.287 -17.676 1.00 0.00 C ATOM 0 H VAL A 74 5.717 13.876 -20.709 1.00 0.00 H new ATOM 0 HA VAL A 74 6.330 16.643 -19.855 1.00 0.00 H new ATOM 0 HB VAL A 74 6.852 14.042 -18.402 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.650 15.512 -16.533 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.631 15.715 -18.004 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.408 16.934 -17.574 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.306 14.941 -16.645 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.965 16.342 -17.688 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.478 14.710 -18.203 1.00 0.00 H new ATOM 866 N TYR A 75 8.655 16.434 -20.754 1.00 0.00 N ATOM 867 CA TYR A 75 10.041 16.416 -21.228 1.00 0.00 C ATOM 868 C TYR A 75 11.030 16.699 -20.082 1.00 0.00 C ATOM 869 O TYR A 75 10.652 17.156 -19.003 1.00 0.00 O ATOM 870 CB TYR A 75 10.193 17.387 -22.408 1.00 0.00 C ATOM 871 CG TYR A 75 9.383 16.915 -23.594 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.836 15.796 -24.312 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.141 17.503 -23.902 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.037 15.241 -25.323 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.349 16.965 -24.937 1.00 0.00 C ATOM 876 CZ TYR A 75 7.794 15.827 -25.649 1.00 0.00 C ATOM 877 OH TYR A 75 7.032 15.286 -26.641 1.00 0.00 O ATOM 0 H TYR A 75 8.294 17.379 -20.627 1.00 0.00 H new ATOM 0 HA TYR A 75 10.288 15.418 -21.589 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.866 18.383 -22.111 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.244 17.467 -22.687 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.799 15.363 -24.086 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.796 18.363 -23.347 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.374 14.363 -25.854 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.403 17.422 -25.186 1.00 0.00 H new ATOM 0 HH TYR A 75 6.207 15.806 -26.740 1.00 0.00 H new ATOM 887 N CYS A 76 12.310 16.409 -20.318 1.00 0.00 N ATOM 888 CA CYS A 76 13.420 16.537 -19.363 1.00 0.00 C ATOM 889 C CYS A 76 14.767 16.835 -20.051 1.00 0.00 C ATOM 890 O CYS A 76 15.827 16.511 -19.512 1.00 0.00 O ATOM 891 CB CYS A 76 13.473 15.252 -18.523 1.00 0.00 C ATOM 892 SG CYS A 76 12.481 15.450 -17.020 1.00 0.00 S ATOM 0 H CYS A 76 12.620 16.061 -21.225 1.00 0.00 H new ATOM 0 HA CYS A 76 13.240 17.396 -18.717 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.099 14.411 -19.107 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.505 15.023 -18.259 1.00 0.00 H new ATOM 0 HG CYS A 76 11.427 16.163 -17.286 1.00 0.00 H new ATOM 898 N GLY A 77 14.746 17.406 -21.260 1.00 0.00 N ATOM 899 CA GLY A 77 15.946 17.571 -22.083 1.00 0.00 C ATOM 900 C GLY A 77 17.008 18.447 -21.409 1.00 0.00 C ATOM 901 O GLY A 77 16.784 19.636 -21.165 1.00 0.00 O ATOM 0 H GLY A 77 13.896 17.766 -21.694 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.372 16.591 -22.298 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.668 18.015 -23.039 1.00 0.00 H new ATOM 905 N GLY A 78 18.155 17.844 -21.087 1.00 0.00 N ATOM 906 CA GLY A 78 19.261 18.471 -20.361 1.00 0.00 C ATOM 907 C GLY A 78 18.985 18.794 -18.883 1.00 0.00 C ATOM 908 O GLY A 78 19.762 19.545 -18.288 1.00 0.00 O ATOM 0 H GLY A 78 18.345 16.873 -21.333 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.128 17.812 -20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.531 19.395 -20.872 1.00 0.00 H new ATOM 912 N ASP A 79 17.906 18.280 -18.272 1.00 0.00 N ATOM 913 CA ASP A 79 17.530 18.591 -16.896 1.00 0.00 C ATOM 914 C ASP A 79 18.085 17.545 -15.910 1.00 0.00 C ATOM 915 O ASP A 79 18.212 16.351 -16.217 1.00 0.00 O ATOM 916 CB ASP A 79 16.002 18.752 -16.813 1.00 0.00 C ATOM 917 CG ASP A 79 15.582 19.425 -15.503 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.521 20.675 -15.434 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.362 18.695 -14.514 1.00 0.00 O ATOM 0 H ASP A 79 17.267 17.630 -18.730 1.00 0.00 H new ATOM 0 HA ASP A 79 17.981 19.537 -16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.651 19.345 -17.657 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.527 17.774 -16.890 1.00 0.00 H new ATOM 924 N LEU A 80 18.372 17.988 -14.684 1.00 0.00 N ATOM 925 CA LEU A 80 18.811 17.112 -13.597 1.00 0.00 C ATOM 926 C LEU A 80 17.778 16.004 -13.306 1.00 0.00 C ATOM 927 O LEU A 80 18.152 14.917 -12.871 1.00 0.00 O ATOM 928 CB LEU A 80 19.153 17.928 -12.341 1.00 0.00 C ATOM 929 CG LEU A 80 20.536 18.608 -12.352 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.668 19.734 -13.381 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.808 19.209 -10.970 1.00 0.00 C ATOM 0 H LEU A 80 18.306 18.970 -14.417 1.00 0.00 H new ATOM 0 HA LEU A 80 19.723 16.610 -13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.390 18.695 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.097 17.270 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 80 21.252 17.832 -12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.669 20.161 -13.326 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.498 19.335 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.931 20.508 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.785 19.692 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.039 19.945 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.794 18.418 -10.220 1.00 0.00 H new ATOM 943 N LEU A 81 16.489 16.240 -13.575 1.00 0.00 N ATOM 944 CA LEU A 81 15.451 15.211 -13.497 1.00 0.00 C ATOM 945 C LEU A 81 15.617 14.120 -14.572 1.00 0.00 C ATOM 946 O LEU A 81 15.456 12.940 -14.266 1.00 0.00 O ATOM 947 CB LEU A 81 14.072 15.886 -13.587 1.00 0.00 C ATOM 948 CG LEU A 81 12.890 14.911 -13.397 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.943 14.205 -12.040 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.554 15.648 -13.460 1.00 0.00 C ATOM 0 H LEU A 81 16.137 17.156 -13.854 1.00 0.00 H new ATOM 0 HA LEU A 81 15.545 14.698 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.011 16.669 -12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.978 16.372 -14.558 1.00 0.00 H new ATOM 0 HG LEU A 81 12.973 14.182 -14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.093 13.529 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.870 13.636 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.904 14.947 -11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.739 14.937 -13.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.516 16.400 -12.672 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.452 16.134 -14.430 1.00 0.00 H new ATOM 962 N GLY A 82 16.002 14.483 -15.800 1.00 0.00 N ATOM 963 CA GLY A 82 16.365 13.522 -16.851 1.00 0.00 C ATOM 964 C GLY A 82 17.636 12.746 -16.510 1.00 0.00 C ATOM 965 O GLY A 82 17.705 11.545 -16.758 1.00 0.00 O ATOM 0 H GLY A 82 16.071 15.457 -16.096 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.543 12.822 -17.000 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.507 14.052 -17.793 1.00 0.00 H new ATOM 969 N GLU A 83 18.610 13.380 -15.852 1.00 0.00 N ATOM 970 CA GLU A 83 19.791 12.715 -15.322 1.00 0.00 C ATOM 971 C GLU A 83 19.446 11.743 -14.167 1.00 0.00 C ATOM 972 O GLU A 83 19.998 10.642 -14.104 1.00 0.00 O ATOM 973 CB GLU A 83 20.744 13.847 -14.926 1.00 0.00 C ATOM 974 CG GLU A 83 21.924 13.353 -14.116 1.00 0.00 C ATOM 975 CD GLU A 83 22.994 14.446 -13.939 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.914 14.542 -14.789 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.936 15.210 -12.945 1.00 0.00 O ATOM 0 H GLU A 83 18.595 14.384 -15.673 1.00 0.00 H new ATOM 0 HA GLU A 83 20.264 12.063 -16.056 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.107 14.344 -15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.198 14.593 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.579 13.020 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.367 12.488 -14.609 1.00 0.00 H new ATOM 984 N LEU A 84 18.493 12.102 -13.295 1.00 0.00 N ATOM 985 CA LEU A 84 18.010 11.265 -12.187 1.00 0.00 C ATOM 986 C LEU A 84 17.227 10.032 -12.678 1.00 0.00 C ATOM 987 O LEU A 84 17.466 8.916 -12.212 1.00 0.00 O ATOM 988 CB LEU A 84 17.163 12.147 -11.246 1.00 0.00 C ATOM 989 CG LEU A 84 16.467 11.415 -10.080 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.447 10.700 -9.149 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.667 12.422 -9.252 1.00 0.00 C ATOM 0 H LEU A 84 18.024 13.007 -13.342 1.00 0.00 H new ATOM 0 HA LEU A 84 18.866 10.865 -11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.806 12.923 -10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.400 12.650 -11.840 1.00 0.00 H new ATOM 0 HG LEU A 84 15.821 10.660 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.895 10.205 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.010 9.958 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.135 11.427 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.175 11.906 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.340 13.182 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.916 12.897 -9.883 1.00 0.00 H new ATOM 1003 N LEU A 85 16.307 10.225 -13.629 1.00 0.00 N ATOM 1004 CA LEU A 85 15.480 9.157 -14.218 1.00 0.00 C ATOM 1005 C LEU A 85 16.218 8.351 -15.302 1.00 0.00 C ATOM 1006 O LEU A 85 15.795 7.244 -15.636 1.00 0.00 O ATOM 1007 CB LEU A 85 14.180 9.781 -14.775 1.00 0.00 C ATOM 1008 CG LEU A 85 13.014 9.867 -13.770 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.374 10.515 -12.436 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.871 10.672 -14.387 1.00 0.00 C ATOM 0 H LEU A 85 16.110 11.146 -14.021 1.00 0.00 H new ATOM 0 HA LEU A 85 15.244 8.441 -13.431 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.403 10.785 -15.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.855 9.197 -15.636 1.00 0.00 H new ATOM 0 HG LEU A 85 12.733 8.835 -13.561 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.495 10.533 -11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.165 9.941 -11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.719 11.534 -12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.045 10.734 -13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.221 11.676 -14.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.530 10.181 -15.298 1.00 0.00 H new ATOM 1022 N GLY A 86 17.282 8.905 -15.890 1.00 0.00 N ATOM 1023 CA GLY A 86 18.033 8.336 -17.018 1.00 0.00 C ATOM 1024 C GLY A 86 17.392 8.579 -18.396 1.00 0.00 C ATOM 1025 O GLY A 86 18.020 8.294 -19.418 1.00 0.00 O ATOM 0 H GLY A 86 17.661 9.800 -15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.038 8.758 -17.019 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.138 7.262 -16.864 1.00 0.00 H new ATOM 1029 N ARG A 87 16.149 9.090 -18.434 1.00 0.00 N ATOM 1030 CA ARG A 87 15.354 9.366 -19.642 1.00 0.00 C ATOM 1031 C ARG A 87 14.887 10.818 -19.685 1.00 0.00 C ATOM 1032 O ARG A 87 14.500 11.378 -18.664 1.00 0.00 O ATOM 1033 CB ARG A 87 14.136 8.419 -19.743 1.00 0.00 C ATOM 1034 CG ARG A 87 14.442 6.912 -19.798 1.00 0.00 C ATOM 1035 CD ARG A 87 14.791 6.297 -18.439 1.00 0.00 C ATOM 1036 NE ARG A 87 14.670 4.829 -18.431 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.900 4.050 -17.389 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.253 4.507 -16.225 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.784 2.760 -17.464 1.00 0.00 N ATOM 0 H ARG A 87 15.647 9.334 -17.580 1.00 0.00 H new ATOM 0 HA ARG A 87 16.006 9.188 -20.497 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.487 8.605 -18.887 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.570 8.685 -20.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.578 6.391 -20.210 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.272 6.745 -20.485 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.810 6.575 -18.170 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.135 6.716 -17.676 1.00 0.00 H new ATOM 0 HE ARG A 87 14.386 4.377 -19.300 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.364 5.511 -16.084 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.419 3.862 -15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.509 2.323 -18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.968 2.183 -16.643 1.00 0.00 H new ATOM 1053 N GLN A 88 14.874 11.407 -20.882 1.00 0.00 N ATOM 1054 CA GLN A 88 14.547 12.826 -21.100 1.00 0.00 C ATOM 1055 C GLN A 88 13.088 13.070 -21.524 1.00 0.00 C ATOM 1056 O GLN A 88 12.730 14.179 -21.922 1.00 0.00 O ATOM 1057 CB GLN A 88 15.588 13.478 -22.021 1.00 0.00 C ATOM 1058 CG GLN A 88 16.969 13.444 -21.346 1.00 0.00 C ATOM 1059 CD GLN A 88 18.069 14.028 -22.230 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.515 15.152 -22.051 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.548 13.302 -23.219 1.00 0.00 N ATOM 0 H GLN A 88 15.093 10.908 -21.744 1.00 0.00 H new ATOM 0 HA GLN A 88 14.611 13.330 -20.136 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.625 12.951 -22.974 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.303 14.508 -22.237 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.926 14.001 -20.410 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.220 12.414 -21.092 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.187 12.362 -23.383 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.280 13.680 -23.821 1.00 0.00 H new ATOM 1070 N SER A 89 12.234 12.055 -21.402 1.00 0.00 N ATOM 1071 CA SER A 89 10.775 12.171 -21.539 1.00 0.00 C ATOM 1072 C SER A 89 10.024 11.037 -20.824 1.00 0.00 C ATOM 1073 O SER A 89 10.522 9.913 -20.713 1.00 0.00 O ATOM 1074 CB SER A 89 10.349 12.250 -23.011 1.00 0.00 C ATOM 1075 OG SER A 89 10.720 11.083 -23.732 1.00 0.00 O ATOM 0 H SER A 89 12.541 11.103 -21.200 1.00 0.00 H new ATOM 0 HA SER A 89 10.499 13.105 -21.050 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.269 12.385 -23.070 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.806 13.124 -23.475 1.00 0.00 H new ATOM 0 HG SER A 89 10.431 11.169 -24.664 1.00 0.00 H new ATOM 1081 N PHE A 90 8.824 11.345 -20.326 1.00 0.00 N ATOM 1082 CA PHE A 90 7.859 10.408 -19.734 1.00 0.00 C ATOM 1083 C PHE A 90 6.438 11.003 -19.775 1.00 0.00 C ATOM 1084 O PHE A 90 6.251 12.159 -20.152 1.00 0.00 O ATOM 1085 CB PHE A 90 8.281 10.032 -18.299 1.00 0.00 C ATOM 1086 CG PHE A 90 8.397 11.162 -17.288 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.623 11.834 -17.116 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.309 11.478 -16.449 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.770 12.791 -16.095 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.458 12.436 -15.429 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.696 13.075 -15.234 1.00 0.00 C ATOM 0 H PHE A 90 8.479 12.305 -20.324 1.00 0.00 H new ATOM 0 HA PHE A 90 7.849 9.491 -20.323 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.562 9.308 -17.915 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.245 9.527 -18.352 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.453 11.614 -17.770 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.359 10.984 -16.589 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.710 13.308 -15.973 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.620 12.681 -14.794 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.821 13.781 -14.426 1.00 0.00 H new ATOM 1101 N SER A 91 5.416 10.237 -19.391 1.00 0.00 N ATOM 1102 CA SER A 91 4.034 10.728 -19.298 1.00 0.00 C ATOM 1103 C SER A 91 3.310 10.148 -18.084 1.00 0.00 C ATOM 1104 O SER A 91 3.798 9.214 -17.446 1.00 0.00 O ATOM 1105 CB SER A 91 3.280 10.404 -20.593 1.00 0.00 C ATOM 1106 OG SER A 91 2.856 9.052 -20.598 1.00 0.00 O ATOM 0 H SER A 91 5.520 9.255 -19.134 1.00 0.00 H new ATOM 0 HA SER A 91 4.064 11.810 -19.165 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.417 11.062 -20.692 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.924 10.592 -21.452 1.00 0.00 H new ATOM 0 HG SER A 91 2.375 8.863 -21.431 1.00 0.00 H new ATOM 1112 N VAL A 92 2.109 10.648 -17.784 1.00 0.00 N ATOM 1113 CA VAL A 92 1.244 10.048 -16.746 1.00 0.00 C ATOM 1114 C VAL A 92 0.630 8.695 -17.163 1.00 0.00 C ATOM 1115 O VAL A 92 0.058 7.999 -16.323 1.00 0.00 O ATOM 1116 CB VAL A 92 0.183 11.038 -16.229 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.847 12.300 -15.663 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.815 11.449 -17.315 1.00 0.00 C ATOM 0 H VAL A 92 1.707 11.466 -18.241 1.00 0.00 H new ATOM 0 HA VAL A 92 1.904 9.822 -15.908 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.363 10.517 -15.443 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.079 12.985 -15.304 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.504 12.026 -14.838 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.430 12.786 -16.445 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.540 12.147 -16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.282 11.928 -18.136 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.334 10.565 -17.686 1.00 0.00 H new ATOM 1128 N LYS A 93 0.775 8.294 -18.440 1.00 0.00 N ATOM 1129 CA LYS A 93 0.449 6.947 -18.956 1.00 0.00 C ATOM 1130 C LYS A 93 1.668 6.011 -18.994 1.00 0.00 C ATOM 1131 O LYS A 93 1.504 4.793 -18.923 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.189 7.060 -20.354 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.574 7.730 -20.386 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.654 6.919 -19.649 1.00 0.00 C ATOM 1135 CE LYS A 93 -4.063 7.509 -19.823 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.615 7.286 -21.190 1.00 0.00 N ATOM 0 H LYS A 93 1.133 8.916 -19.165 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.264 6.501 -18.263 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.485 7.623 -21.000 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.276 6.060 -20.779 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.502 8.721 -19.937 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.879 7.871 -21.423 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.646 5.893 -20.017 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.410 6.878 -18.587 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.733 7.063 -19.088 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.032 8.579 -19.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.566 7.703 -21.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.993 7.734 -21.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.672 6.265 -21.379 1.00 0.00 H new ATOM 1150 N ASP A 94 2.878 6.569 -19.065 1.00 0.00 N ATOM 1151 CA ASP A 94 4.164 5.857 -19.062 1.00 0.00 C ATOM 1152 C ASP A 94 5.149 6.427 -18.003 1.00 0.00 C ATOM 1153 O ASP A 94 6.203 6.964 -18.363 1.00 0.00 O ATOM 1154 CB ASP A 94 4.721 5.884 -20.497 1.00 0.00 C ATOM 1155 CG ASP A 94 5.998 5.041 -20.670 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.074 3.923 -20.107 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.909 5.466 -21.423 1.00 0.00 O ATOM 0 H ASP A 94 2.997 7.580 -19.129 1.00 0.00 H new ATOM 0 HA ASP A 94 4.020 4.820 -18.760 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.957 5.518 -21.183 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.934 6.916 -20.777 1.00 0.00 H new ATOM 1162 N PRO A 95 4.827 6.346 -16.691 1.00 0.00 N ATOM 1163 CA PRO A 95 5.644 6.907 -15.607 1.00 0.00 C ATOM 1164 C PRO A 95 6.798 5.991 -15.150 1.00 0.00 C ATOM 1165 O PRO A 95 7.481 6.306 -14.174 1.00 0.00 O ATOM 1166 CB PRO A 95 4.644 7.186 -14.480 1.00 0.00 C ATOM 1167 CG PRO A 95 3.665 6.022 -14.623 1.00 0.00 C ATOM 1168 CD PRO A 95 3.570 5.850 -16.138 1.00 0.00 C ATOM 0 HA PRO A 95 6.165 7.805 -15.939 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.125 7.196 -13.502 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.151 8.150 -14.602 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.034 5.120 -14.135 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.696 6.251 -14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.417 4.803 -16.401 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.723 6.407 -16.539 1.00 0.00 H new ATOM 1176 N SER A 96 7.035 4.865 -15.833 1.00 0.00 N ATOM 1177 CA SER A 96 7.988 3.805 -15.458 1.00 0.00 C ATOM 1178 C SER A 96 9.381 4.271 -14.988 1.00 0.00 C ATOM 1179 O SER A 96 9.872 3.682 -14.023 1.00 0.00 O ATOM 1180 CB SER A 96 8.146 2.802 -16.611 1.00 0.00 C ATOM 1181 OG SER A 96 6.883 2.264 -16.981 1.00 0.00 O ATOM 0 H SER A 96 6.547 4.655 -16.703 1.00 0.00 H new ATOM 0 HA SER A 96 7.537 3.343 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.603 3.295 -17.469 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.817 1.997 -16.311 1.00 0.00 H new ATOM 0 HG SER A 96 7.001 1.628 -17.718 1.00 0.00 H new ATOM 1187 N PRO A 97 10.023 5.324 -15.550 1.00 0.00 N ATOM 1188 CA PRO A 97 11.326 5.805 -15.071 1.00 0.00 C ATOM 1189 C PRO A 97 11.379 6.195 -13.582 1.00 0.00 C ATOM 1190 O PRO A 97 12.419 6.015 -12.952 1.00 0.00 O ATOM 1191 CB PRO A 97 11.666 6.996 -15.970 1.00 0.00 C ATOM 1192 CG PRO A 97 10.982 6.638 -17.286 1.00 0.00 C ATOM 1193 CD PRO A 97 9.679 6.017 -16.790 1.00 0.00 C ATOM 0 HA PRO A 97 12.052 4.994 -15.132 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.288 7.932 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.743 7.114 -16.094 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.808 7.515 -17.910 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.571 5.938 -17.878 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.922 6.781 -16.615 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.269 5.325 -17.526 1.00 0.00 H new ATOM 1201 N LEU A 98 10.269 6.666 -12.995 1.00 0.00 N ATOM 1202 CA LEU A 98 10.129 6.941 -11.553 1.00 0.00 C ATOM 1203 C LEU A 98 10.346 5.653 -10.729 1.00 0.00 C ATOM 1204 O LEU A 98 11.188 5.557 -9.828 1.00 0.00 O ATOM 1205 CB LEU A 98 8.700 7.507 -11.352 1.00 0.00 C ATOM 1206 CG LEU A 98 8.323 7.906 -9.914 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.890 9.273 -9.555 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.807 7.985 -9.753 1.00 0.00 C ATOM 0 H LEU A 98 9.420 6.872 -13.522 1.00 0.00 H new ATOM 0 HA LEU A 98 10.877 7.655 -11.210 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.585 8.382 -11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.984 6.762 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 98 8.739 7.142 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.607 9.527 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.977 9.249 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.493 10.023 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.564 8.269 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.406 8.730 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.366 7.013 -9.974 1.00 0.00 H new ATOM 1220 N TYR A 99 9.595 4.618 -11.095 1.00 0.00 N ATOM 1221 CA TYR A 99 9.612 3.336 -10.405 1.00 0.00 C ATOM 1222 C TYR A 99 10.902 2.557 -10.687 1.00 0.00 C ATOM 1223 O TYR A 99 11.389 1.854 -9.809 1.00 0.00 O ATOM 1224 CB TYR A 99 8.360 2.541 -10.788 1.00 0.00 C ATOM 1225 CG TYR A 99 7.065 3.278 -10.495 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.515 3.236 -9.199 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.438 4.045 -11.499 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.339 3.953 -8.904 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.272 4.773 -11.202 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.710 4.722 -9.908 1.00 0.00 C ATOM 1231 OH TYR A 99 3.572 5.418 -9.637 1.00 0.00 O ATOM 0 H TYR A 99 8.952 4.648 -11.886 1.00 0.00 H new ATOM 0 HA TYR A 99 9.597 3.510 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.401 2.302 -11.851 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.361 1.594 -10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.997 2.652 -8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.853 4.073 -12.496 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.918 3.915 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.804 5.374 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 99 3.278 5.891 -10.443 1.00 0.00 H new ATOM 1241 N ASP A 100 11.523 2.746 -11.853 1.00 0.00 N ATOM 1242 CA ASP A 100 12.858 2.218 -12.165 1.00 0.00 C ATOM 1243 C ASP A 100 13.968 2.876 -11.319 1.00 0.00 C ATOM 1244 O ASP A 100 14.950 2.230 -10.950 1.00 0.00 O ATOM 1245 CB ASP A 100 13.130 2.425 -13.655 1.00 0.00 C ATOM 1246 CG ASP A 100 14.319 1.584 -14.145 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.298 0.340 -13.991 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.254 2.170 -14.742 1.00 0.00 O ATOM 0 H ASP A 100 11.109 3.277 -12.619 1.00 0.00 H new ATOM 0 HA ASP A 100 12.871 1.156 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.240 2.162 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.330 3.480 -13.844 1.00 0.00 H new ATOM 1253 N MET A 101 13.784 4.150 -10.957 1.00 0.00 N ATOM 1254 CA MET A 101 14.615 4.866 -9.980 1.00 0.00 C ATOM 1255 C MET A 101 14.408 4.294 -8.559 1.00 0.00 C ATOM 1256 O MET A 101 15.372 4.135 -7.813 1.00 0.00 O ATOM 1257 CB MET A 101 14.332 6.387 -10.100 1.00 0.00 C ATOM 1258 CG MET A 101 14.126 7.145 -8.784 1.00 0.00 C ATOM 1259 SD MET A 101 13.407 8.801 -8.974 1.00 0.00 S ATOM 1260 CE MET A 101 11.957 8.614 -7.892 1.00 0.00 C ATOM 0 H MET A 101 13.036 4.726 -11.343 1.00 0.00 H new ATOM 0 HA MET A 101 15.674 4.719 -10.192 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.162 6.848 -10.634 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.443 6.522 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.479 6.554 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.087 7.236 -8.277 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.417 9.559 -7.841 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.301 7.842 -8.293 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.284 8.329 -6.892 1.00 0.00 H new ATOM 1270 N LEU A 102 13.164 3.957 -8.188 1.00 0.00 N ATOM 1271 CA LEU A 102 12.790 3.479 -6.849 1.00 0.00 C ATOM 1272 C LEU A 102 13.091 1.999 -6.615 1.00 0.00 C ATOM 1273 O LEU A 102 13.526 1.674 -5.519 1.00 0.00 O ATOM 1274 CB LEU A 102 11.305 3.785 -6.598 1.00 0.00 C ATOM 1275 CG LEU A 102 11.025 5.288 -6.440 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.548 5.565 -6.688 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.413 5.772 -5.042 1.00 0.00 C ATOM 0 H LEU A 102 12.371 4.011 -8.827 1.00 0.00 H new ATOM 0 HA LEU A 102 13.411 4.015 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.713 3.395 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.978 3.263 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 102 11.627 5.828 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.354 6.632 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.284 5.253 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.948 5.009 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.205 6.839 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.835 5.228 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.476 5.595 -4.878 1.00 0.00 H new ATOM 1289 N ARG A 103 12.945 1.112 -7.610 1.00 0.00 N ATOM 1290 CA ARG A 103 13.165 -0.349 -7.468 1.00 0.00 C ATOM 1291 C ARG A 103 14.583 -0.734 -7.040 1.00 0.00 C ATOM 1292 O ARG A 103 14.814 -1.777 -6.431 1.00 0.00 O ATOM 1293 CB ARG A 103 12.717 -1.080 -8.747 1.00 0.00 C ATOM 1294 CG ARG A 103 13.499 -0.834 -10.051 1.00 0.00 C ATOM 1295 CD ARG A 103 14.880 -1.491 -10.209 1.00 0.00 C ATOM 1296 NE ARG A 103 14.843 -2.954 -10.006 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.884 -3.764 -9.902 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.112 -3.336 -10.002 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.710 -5.038 -9.696 1.00 0.00 N ATOM 0 H ARG A 103 12.667 1.385 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 103 12.540 -0.680 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.743 -2.150 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.676 -0.816 -8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.875 -1.168 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.628 0.243 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.268 -1.276 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.573 -1.047 -9.494 1.00 0.00 H new ATOM 0 HE ARG A 103 13.920 -3.384 -9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.295 -2.346 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.889 -3.991 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.767 -5.417 -9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.517 -5.657 -9.617 1.00 0.00 H new ATOM 1313 N LYS A 104 15.522 0.158 -7.360 1.00 0.00 N ATOM 1314 CA LYS A 104 16.936 0.128 -6.955 1.00 0.00 C ATOM 1315 C LYS A 104 17.114 0.349 -5.445 1.00 0.00 C ATOM 1316 O LYS A 104 18.042 -0.208 -4.857 1.00 0.00 O ATOM 1317 CB LYS A 104 17.668 1.195 -7.789 1.00 0.00 C ATOM 1318 CG LYS A 104 19.178 1.271 -7.514 1.00 0.00 C ATOM 1319 CD LYS A 104 19.912 2.212 -8.484 1.00 0.00 C ATOM 1320 CE LYS A 104 19.341 3.639 -8.464 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.171 4.571 -9.277 1.00 0.00 N ATOM 0 H LYS A 104 15.308 0.968 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 104 17.361 -0.857 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.511 0.986 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.222 2.169 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.340 1.612 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.607 0.272 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.970 2.244 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.844 1.811 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.321 3.629 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.291 3.997 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.758 5.525 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.138 4.598 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.198 4.242 -10.263 1.00 0.00 H new ATOM 1335 N ASN A 105 16.231 1.136 -4.818 1.00 0.00 N ATOM 1336 CA ASN A 105 16.335 1.504 -3.395 1.00 0.00 C ATOM 1337 C ASN A 105 15.262 0.857 -2.492 1.00 0.00 C ATOM 1338 O ASN A 105 15.599 0.262 -1.467 1.00 0.00 O ATOM 1339 CB ASN A 105 16.353 3.031 -3.300 1.00 0.00 C ATOM 1340 CG ASN A 105 17.643 3.628 -3.848 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.738 4.025 -5.000 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.686 3.689 -3.050 1.00 0.00 N ATOM 0 H ASN A 105 15.418 1.539 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 105 17.266 1.097 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.504 3.437 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.230 3.330 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.569 4.066 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.612 3.359 -2.088 1.00 0.00 H new