USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 111 ASN : amide:sc= -1.39 K(o=-1.3,f=-4.6!) USER MOD Set 1.2: A 113 GLN : amide:sc= 0.125 X(o=-1.3,f=-1.5) USER MOD Single : A 8 MET CE :methyl -141:sc= -3.95 (180deg=-5.82!) USER MOD Single : A 13 ASN : amide:sc= -0.835 K(o=-0.83,f=-0.24) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 98:sc= 0.259 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.961 X(o=-0.96,f=-0.67) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 60:sc= -0.848 USER MOD Single : A 52 SER OG : rot 180:sc= 0.327 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.34) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.521) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.54! C(o=-2.5!,f=-4.7!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -100:sc= 0.65 USER MOD Single : A 88 ASN : amide:sc= 0.79 K(o=0.79,f=-6.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -140:sc= 0.0354 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 165:sc= -1.11 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -29:sc= 0.196 USER MOD Single : A 110 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.074) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -141:sc= -1.95! (180deg=-3.79!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.647 4.451 8.316 1.00 0.00 N ATOM 60 CA GLY A 7 -13.359 3.159 7.715 1.00 0.00 C ATOM 61 C GLY A 7 -12.609 3.324 6.392 1.00 0.00 C ATOM 62 O GLY A 7 -11.424 3.010 6.302 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.763 2.559 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.290 2.618 7.544 1.00 0.00 H new ATOM 66 N MET A 8 -13.332 3.818 5.397 1.00 0.00 N ATOM 67 CA MET A 8 -12.750 4.029 4.082 1.00 0.00 C ATOM 68 C MET A 8 -12.573 5.521 3.794 1.00 0.00 C ATOM 69 O MET A 8 -11.593 5.924 3.168 1.00 0.00 O ATOM 70 CB MET A 8 -13.656 3.407 3.017 1.00 0.00 C ATOM 71 CG MET A 8 -13.173 3.766 1.610 1.00 0.00 C ATOM 72 SD MET A 8 -11.668 2.883 1.237 1.00 0.00 S ATOM 73 CE MET A 8 -10.575 4.256 0.915 1.00 0.00 C ATOM 0 H MET A 8 -14.315 4.078 5.475 1.00 0.00 H new ATOM 0 HA MET A 8 -11.769 3.555 4.059 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.671 2.324 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.679 3.757 3.155 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.941 3.517 0.878 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.001 4.840 1.539 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.919 4.011 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.164 5.139 0.667 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.974 4.458 1.802 1.00 0.00 H new ATOM 83 N GLU A 9 -13.535 6.300 4.265 1.00 0.00 N ATOM 84 CA GLU A 9 -13.498 7.740 4.067 1.00 0.00 C ATOM 85 C GLU A 9 -12.508 8.384 5.038 1.00 0.00 C ATOM 86 O GLU A 9 -12.104 9.530 4.849 1.00 0.00 O ATOM 87 CB GLU A 9 -14.892 8.350 4.218 1.00 0.00 C ATOM 88 CG GLU A 9 -15.265 9.177 2.986 1.00 0.00 C ATOM 89 CD GLU A 9 -16.662 9.785 3.136 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.536 9.071 3.673 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.822 10.949 2.711 1.00 0.00 O ATOM 0 H GLU A 9 -14.346 5.962 4.784 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.160 7.939 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.626 7.557 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.923 8.981 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.532 9.971 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.232 8.547 2.097 1.00 0.00 H new ATOM 98 N ALA A 10 -12.146 7.619 6.058 1.00 0.00 N ATOM 99 CA ALA A 10 -11.210 8.101 7.060 1.00 0.00 C ATOM 100 C ALA A 10 -9.783 7.763 6.625 1.00 0.00 C ATOM 101 O ALA A 10 -8.910 8.629 6.623 1.00 0.00 O ATOM 102 CB ALA A 10 -11.563 7.497 8.421 1.00 0.00 C ATOM 0 H ALA A 10 -12.484 6.669 6.212 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.277 9.185 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.861 7.858 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.575 7.792 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.505 6.410 8.363 1.00 0.00 H new ATOM 108 N VAL A 11 -9.591 6.502 6.267 1.00 0.00 N ATOM 109 CA VAL A 11 -8.285 6.039 5.830 1.00 0.00 C ATOM 110 C VAL A 11 -7.791 6.926 4.685 1.00 0.00 C ATOM 111 O VAL A 11 -6.696 7.483 4.756 1.00 0.00 O ATOM 112 CB VAL A 11 -8.354 4.558 5.452 1.00 0.00 C ATOM 113 CG1 VAL A 11 -9.376 4.323 4.338 1.00 0.00 C ATOM 114 CG2 VAL A 11 -6.975 4.029 5.052 1.00 0.00 C ATOM 0 H VAL A 11 -10.318 5.787 6.271 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.560 6.120 6.640 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.683 4.003 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.405 3.262 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.362 4.644 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.090 4.896 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.052 2.974 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.604 4.591 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.285 4.144 5.888 1.00 0.00 H new ATOM 124 N LEU A 12 -8.621 7.028 3.659 1.00 0.00 N ATOM 125 CA LEU A 12 -8.282 7.838 2.500 1.00 0.00 C ATOM 126 C LEU A 12 -8.133 9.299 2.929 1.00 0.00 C ATOM 127 O LEU A 12 -7.609 10.120 2.179 1.00 0.00 O ATOM 128 CB LEU A 12 -9.304 7.627 1.381 1.00 0.00 C ATOM 129 CG LEU A 12 -8.735 7.510 -0.034 1.00 0.00 C ATOM 130 CD1 LEU A 12 -7.779 6.320 -0.143 1.00 0.00 C ATOM 131 CD2 LEU A 12 -9.857 7.441 -1.072 1.00 0.00 C ATOM 0 H LEU A 12 -9.528 6.564 3.605 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.322 7.528 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.870 6.722 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.010 8.457 1.400 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.156 8.409 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.388 6.259 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.953 6.452 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.314 5.401 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.425 7.358 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.483 6.571 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.463 8.345 -1.013 1.00 0.00 H new ATOM 143 N ASN A 13 -8.603 9.577 4.137 1.00 0.00 N ATOM 144 CA ASN A 13 -8.529 10.925 4.676 1.00 0.00 C ATOM 145 C ASN A 13 -7.242 11.074 5.489 1.00 0.00 C ATOM 146 O ASN A 13 -6.253 11.620 5.000 1.00 0.00 O ATOM 147 CB ASN A 13 -9.711 11.213 5.603 1.00 0.00 C ATOM 148 CG ASN A 13 -10.682 12.205 4.962 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.964 13.268 5.490 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.177 11.801 3.796 1.00 0.00 N ATOM 0 H ASN A 13 -9.036 8.892 4.757 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.548 11.624 3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.233 10.284 5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.347 11.615 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.834 12.393 3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.899 10.899 3.409 1.00 0.00 H new ATOM 157 N GLU A 14 -7.295 10.579 6.717 1.00 0.00 N ATOM 158 CA GLU A 14 -6.146 10.650 7.604 1.00 0.00 C ATOM 159 C GLU A 14 -4.873 10.251 6.854 1.00 0.00 C ATOM 160 O GLU A 14 -4.939 9.603 5.811 1.00 0.00 O ATOM 161 CB GLU A 14 -6.352 9.773 8.840 1.00 0.00 C ATOM 162 CG GLU A 14 -6.437 10.626 10.108 1.00 0.00 C ATOM 163 CD GLU A 14 -5.047 11.079 10.559 1.00 0.00 C ATOM 164 OE1 GLU A 14 -4.367 10.259 11.212 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.696 12.236 10.240 1.00 0.00 O ATOM 0 H GLU A 14 -8.116 10.127 7.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.037 11.680 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.265 9.189 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.529 9.064 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.065 11.497 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.913 10.054 10.904 1.00 0.00 H new ATOM 172 N LEU A 15 -3.743 10.654 7.417 1.00 0.00 N ATOM 173 CA LEU A 15 -2.456 10.346 6.815 1.00 0.00 C ATOM 174 C LEU A 15 -1.559 9.675 7.857 1.00 0.00 C ATOM 175 O LEU A 15 -1.976 9.456 8.993 1.00 0.00 O ATOM 176 CB LEU A 15 -1.842 11.601 6.191 1.00 0.00 C ATOM 177 CG LEU A 15 -2.738 12.373 5.220 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.257 13.817 5.062 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.836 11.651 3.874 1.00 0.00 C ATOM 0 H LEU A 15 -3.692 11.191 8.283 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.578 9.638 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.545 12.275 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.932 11.313 5.664 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.744 12.412 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.910 14.344 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.280 14.316 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.238 13.821 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.478 12.220 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.842 11.561 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.258 10.657 4.024 1.00 0.00 H new ATOM 191 N VAL A 16 -0.341 9.366 7.432 1.00 0.00 N ATOM 192 CA VAL A 16 0.619 8.725 8.315 1.00 0.00 C ATOM 193 C VAL A 16 1.371 9.796 9.107 1.00 0.00 C ATOM 194 O VAL A 16 1.358 10.970 8.739 1.00 0.00 O ATOM 195 CB VAL A 16 1.547 7.816 7.505 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.763 8.591 6.995 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.976 6.601 8.327 1.00 0.00 C ATOM 0 H VAL A 16 0.002 9.548 6.489 1.00 0.00 H new ATOM 0 HA VAL A 16 0.109 8.087 9.037 1.00 0.00 H new ATOM 0 HB VAL A 16 0.992 7.455 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.407 7.923 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.431 9.410 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.319 8.993 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.635 5.971 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.505 6.934 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.095 6.030 8.619 1.00 0.00 H new ATOM 207 N SER A 17 2.011 9.353 10.179 1.00 0.00 N ATOM 208 CA SER A 17 2.767 10.259 11.026 1.00 0.00 C ATOM 209 C SER A 17 4.234 9.823 11.080 1.00 0.00 C ATOM 210 O SER A 17 4.527 8.635 11.207 1.00 0.00 O ATOM 211 CB SER A 17 2.179 10.314 12.438 1.00 0.00 C ATOM 212 OG SER A 17 0.755 10.261 12.424 1.00 0.00 O ATOM 0 H SER A 17 2.021 8.379 10.480 1.00 0.00 H new ATOM 0 HA SER A 17 2.706 11.259 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.567 9.482 13.025 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.503 11.231 12.931 1.00 0.00 H new ATOM 0 HG SER A 17 0.417 10.297 13.343 1.00 0.00 H new ATOM 218 N VAL A 18 5.114 10.808 10.980 1.00 0.00 N ATOM 219 CA VAL A 18 6.542 10.541 11.015 1.00 0.00 C ATOM 220 C VAL A 18 6.871 9.714 12.259 1.00 0.00 C ATOM 221 O VAL A 18 7.515 8.670 12.163 1.00 0.00 O ATOM 222 CB VAL A 18 7.322 11.855 10.946 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.824 11.612 11.106 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.023 12.604 9.646 1.00 0.00 C ATOM 0 H VAL A 18 4.866 11.792 10.875 1.00 0.00 H new ATOM 0 HA VAL A 18 6.843 9.955 10.147 1.00 0.00 H new ATOM 0 HB VAL A 18 6.994 12.481 11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.354 12.563 11.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.016 11.143 12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.174 10.957 10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.591 13.534 9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.307 11.984 8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.958 12.828 9.592 1.00 0.00 H new ATOM 234 N GLU A 19 6.416 10.213 13.399 1.00 0.00 N ATOM 235 CA GLU A 19 6.655 9.533 14.661 1.00 0.00 C ATOM 236 C GLU A 19 6.449 8.026 14.500 1.00 0.00 C ATOM 237 O GLU A 19 7.138 7.230 15.136 1.00 0.00 O ATOM 238 CB GLU A 19 5.756 10.094 15.765 1.00 0.00 C ATOM 239 CG GLU A 19 6.540 10.298 17.061 1.00 0.00 C ATOM 240 CD GLU A 19 7.018 8.960 17.630 1.00 0.00 C ATOM 241 OE1 GLU A 19 6.305 7.960 17.402 1.00 0.00 O ATOM 242 OE2 GLU A 19 8.087 8.969 18.280 1.00 0.00 O ATOM 0 H GLU A 19 5.883 11.080 13.475 1.00 0.00 H new ATOM 0 HA GLU A 19 7.690 9.709 14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.327 11.043 15.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.924 9.412 15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.397 10.944 16.874 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.912 10.805 17.794 1.00 0.00 H new ATOM 249 N ASP A 20 5.498 7.679 13.644 1.00 0.00 N ATOM 250 CA ASP A 20 5.193 6.280 13.391 1.00 0.00 C ATOM 251 C ASP A 20 6.051 5.780 12.227 1.00 0.00 C ATOM 252 O ASP A 20 6.875 4.882 12.400 1.00 0.00 O ATOM 253 CB ASP A 20 3.723 6.098 13.008 1.00 0.00 C ATOM 254 CG ASP A 20 2.819 5.595 14.135 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.599 6.384 15.080 1.00 0.00 O ATOM 256 OD2 ASP A 20 2.369 4.435 14.026 1.00 0.00 O ATOM 0 H ASP A 20 4.929 8.342 13.117 1.00 0.00 H new ATOM 0 HA ASP A 20 5.400 5.718 14.302 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.336 7.052 12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.664 5.397 12.175 1.00 0.00 H new ATOM 261 N LEU A 21 5.828 6.380 11.067 1.00 0.00 N ATOM 262 CA LEU A 21 6.570 6.005 9.876 1.00 0.00 C ATOM 263 C LEU A 21 8.042 5.802 10.240 1.00 0.00 C ATOM 264 O LEU A 21 8.632 4.776 9.903 1.00 0.00 O ATOM 265 CB LEU A 21 6.348 7.031 8.762 1.00 0.00 C ATOM 266 CG LEU A 21 7.045 6.738 7.431 1.00 0.00 C ATOM 267 CD1 LEU A 21 6.033 6.678 6.286 1.00 0.00 C ATOM 268 CD2 LEU A 21 8.158 7.751 7.161 1.00 0.00 C ATOM 0 H LEU A 21 5.144 7.123 10.927 1.00 0.00 H new ATOM 0 HA LEU A 21 6.205 5.056 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.277 7.112 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.685 8.004 9.119 1.00 0.00 H new ATOM 0 HG LEU A 21 7.514 5.756 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.553 6.469 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.308 5.888 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.516 7.634 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.637 7.520 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.735 8.755 7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.897 7.701 7.961 1.00 0.00 H new ATOM 280 N LYS A 22 8.593 6.794 10.922 1.00 0.00 N ATOM 281 CA LYS A 22 9.985 6.737 11.335 1.00 0.00 C ATOM 282 C LYS A 22 10.197 5.510 12.226 1.00 0.00 C ATOM 283 O LYS A 22 11.192 4.800 12.083 1.00 0.00 O ATOM 284 CB LYS A 22 10.404 8.053 11.992 1.00 0.00 C ATOM 285 CG LYS A 22 9.986 8.088 13.464 1.00 0.00 C ATOM 286 CD LYS A 22 10.944 7.263 14.326 1.00 0.00 C ATOM 287 CE LYS A 22 11.731 8.161 15.283 1.00 0.00 C ATOM 288 NZ LYS A 22 13.186 7.962 15.101 1.00 0.00 N ATOM 0 H LYS A 22 8.101 7.643 11.200 1.00 0.00 H new ATOM 0 HA LYS A 22 10.635 6.620 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.484 8.175 11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.950 8.890 11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.970 9.119 13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.973 7.700 13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.381 6.523 14.895 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.635 6.714 13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.476 9.205 15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.453 7.937 16.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.706 8.579 15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.427 6.969 15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.449 8.198 14.123 1.00 0.00 H new ATOM 302 N ASN A 23 9.248 5.299 13.125 1.00 0.00 N ATOM 303 CA ASN A 23 9.319 4.171 14.037 1.00 0.00 C ATOM 304 C ASN A 23 9.402 2.872 13.232 1.00 0.00 C ATOM 305 O ASN A 23 10.095 1.936 13.626 1.00 0.00 O ATOM 306 CB ASN A 23 8.072 4.099 14.922 1.00 0.00 C ATOM 307 CG ASN A 23 8.452 4.080 16.404 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.568 4.389 16.789 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.466 3.699 17.210 1.00 0.00 N ATOM 0 H ASN A 23 8.425 5.890 13.241 1.00 0.00 H new ATOM 0 HA ASN A 23 10.201 4.301 14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.428 4.954 14.719 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.500 3.204 14.678 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.620 3.652 18.217 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.555 3.454 16.821 1.00 0.00 H new ATOM 316 N PHE A 24 8.684 2.858 12.118 1.00 0.00 N ATOM 317 CA PHE A 24 8.668 1.691 11.253 1.00 0.00 C ATOM 318 C PHE A 24 9.889 1.674 10.331 1.00 0.00 C ATOM 319 O PHE A 24 10.618 0.685 10.279 1.00 0.00 O ATOM 320 CB PHE A 24 7.401 1.783 10.401 1.00 0.00 C ATOM 321 CG PHE A 24 6.130 1.336 11.124 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.803 1.883 12.326 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.327 0.390 10.567 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.623 1.468 12.997 1.00 0.00 C ATOM 325 CE2 PHE A 24 4.147 -0.026 11.239 1.00 0.00 C ATOM 326 CZ PHE A 24 3.820 0.522 12.440 1.00 0.00 C ATOM 0 H PHE A 24 8.109 3.636 11.795 1.00 0.00 H new ATOM 0 HA PHE A 24 8.689 0.782 11.854 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.274 2.813 10.068 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.532 1.173 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.441 2.633 12.770 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.587 -0.045 9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.363 1.904 13.950 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.510 -0.777 10.796 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.923 0.206 12.951 1.00 0.00 H new ATOM 336 N GLU A 25 10.074 2.781 9.628 1.00 0.00 N ATOM 337 CA GLU A 25 11.194 2.906 8.711 1.00 0.00 C ATOM 338 C GLU A 25 12.478 2.393 9.367 1.00 0.00 C ATOM 339 O GLU A 25 13.217 1.615 8.767 1.00 0.00 O ATOM 340 CB GLU A 25 11.359 4.353 8.240 1.00 0.00 C ATOM 341 CG GLU A 25 12.816 4.649 7.878 1.00 0.00 C ATOM 342 CD GLU A 25 12.980 6.096 7.406 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.451 6.985 8.107 1.00 0.00 O ATOM 344 OE2 GLU A 25 13.631 6.278 6.355 1.00 0.00 O ATOM 0 H GLU A 25 9.467 3.600 9.675 1.00 0.00 H new ATOM 0 HA GLU A 25 10.989 2.294 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.722 4.532 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.030 5.034 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.453 4.471 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.146 3.967 7.094 1.00 0.00 H new ATOM 351 N ARG A 26 12.702 2.851 10.590 1.00 0.00 N ATOM 352 CA ARG A 26 13.884 2.448 11.333 1.00 0.00 C ATOM 353 C ARG A 26 13.989 0.922 11.378 1.00 0.00 C ATOM 354 O ARG A 26 15.077 0.367 11.234 1.00 0.00 O ATOM 355 CB ARG A 26 13.846 2.991 12.764 1.00 0.00 C ATOM 356 CG ARG A 26 14.252 1.913 13.770 1.00 0.00 C ATOM 357 CD ARG A 26 14.503 2.521 15.152 1.00 0.00 C ATOM 358 NE ARG A 26 13.530 1.979 16.128 1.00 0.00 N ATOM 359 CZ ARG A 26 13.358 2.464 17.365 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.092 3.503 17.786 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.451 1.909 18.181 1.00 0.00 N ATOM 0 H ARG A 26 12.086 3.496 11.084 1.00 0.00 H new ATOM 0 HA ARG A 26 14.754 2.861 10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.517 3.845 12.850 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.843 3.349 12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.468 1.159 13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.152 1.406 13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.519 2.298 15.477 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.415 3.606 15.102 1.00 0.00 H new ATOM 0 HE ARG A 26 12.955 1.187 15.841 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.782 3.925 17.165 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.961 3.872 18.728 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.893 1.118 17.860 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.319 2.277 19.123 1.00 0.00 H new ATOM 375 N LYS A 27 12.843 0.288 11.577 1.00 0.00 N ATOM 376 CA LYS A 27 12.793 -1.163 11.642 1.00 0.00 C ATOM 377 C LYS A 27 13.220 -1.745 10.293 1.00 0.00 C ATOM 378 O LYS A 27 14.134 -2.565 10.228 1.00 0.00 O ATOM 379 CB LYS A 27 11.411 -1.631 12.103 1.00 0.00 C ATOM 380 CG LYS A 27 11.526 -2.823 13.056 1.00 0.00 C ATOM 381 CD LYS A 27 10.560 -2.678 14.234 1.00 0.00 C ATOM 382 CE LYS A 27 10.068 -4.047 14.711 1.00 0.00 C ATOM 383 NZ LYS A 27 8.761 -4.370 14.094 1.00 0.00 N ATOM 0 H LYS A 27 11.942 0.752 11.695 1.00 0.00 H new ATOM 0 HA LYS A 27 13.496 -1.535 12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.893 -0.811 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.810 -1.909 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.312 -3.746 12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.548 -2.900 13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.056 -2.160 15.054 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.709 -2.065 13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.799 -4.813 14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.975 -4.049 15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.440 -5.302 14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.063 -3.647 14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.861 -4.388 13.059 1.00 0.00 H new ATOM 397 N PHE A 28 12.539 -1.297 9.249 1.00 0.00 N ATOM 398 CA PHE A 28 12.835 -1.763 7.905 1.00 0.00 C ATOM 399 C PHE A 28 14.338 -1.697 7.622 1.00 0.00 C ATOM 400 O PHE A 28 14.917 -2.648 7.102 1.00 0.00 O ATOM 401 CB PHE A 28 12.105 -0.830 6.936 1.00 0.00 C ATOM 402 CG PHE A 28 12.111 -1.312 5.484 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.415 -2.426 5.135 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.814 -0.627 4.544 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.420 -2.874 3.787 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.820 -1.074 3.195 1.00 0.00 C ATOM 407 CZ PHE A 28 12.122 -2.188 2.846 1.00 0.00 C ATOM 0 H PHE A 28 11.782 -0.615 9.307 1.00 0.00 H new ATOM 0 HA PHE A 28 12.515 -2.799 7.791 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.072 -0.716 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.565 0.157 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.858 -2.971 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.368 0.257 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.867 -3.759 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.378 -0.530 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.125 -2.528 1.821 1.00 0.00 H new ATOM 417 N GLN A 29 14.925 -0.564 7.977 1.00 0.00 N ATOM 418 CA GLN A 29 16.349 -0.362 7.768 1.00 0.00 C ATOM 419 C GLN A 29 17.155 -1.331 8.635 1.00 0.00 C ATOM 420 O GLN A 29 17.899 -2.162 8.116 1.00 0.00 O ATOM 421 CB GLN A 29 16.744 1.088 8.053 1.00 0.00 C ATOM 422 CG GLN A 29 16.195 2.028 6.977 1.00 0.00 C ATOM 423 CD GLN A 29 16.590 3.478 7.262 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.353 3.775 8.168 1.00 0.00 O ATOM 425 NE2 GLN A 29 16.031 4.363 6.442 1.00 0.00 N ATOM 0 H GLN A 29 14.441 0.224 8.408 1.00 0.00 H new ATOM 0 HA GLN A 29 16.576 -0.567 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.364 1.387 9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.830 1.171 8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.575 1.729 6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.109 1.945 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.401 4.048 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.232 5.357 6.551 1.00 0.00 H new ATOM 434 N SER A 30 16.982 -1.190 9.941 1.00 0.00 N ATOM 435 CA SER A 30 17.685 -2.043 10.885 1.00 0.00 C ATOM 436 C SER A 30 17.630 -3.499 10.417 1.00 0.00 C ATOM 437 O SER A 30 18.653 -4.076 10.054 1.00 0.00 O ATOM 438 CB SER A 30 17.092 -1.915 12.290 1.00 0.00 C ATOM 439 OG SER A 30 18.093 -1.661 13.271 1.00 0.00 O ATOM 0 H SER A 30 16.366 -0.498 10.368 1.00 0.00 H new ATOM 0 HA SER A 30 18.725 -1.721 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.360 -1.108 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.560 -2.832 12.544 1.00 0.00 H new ATOM 0 HG SER A 30 17.674 -1.584 14.154 1.00 0.00 H new ATOM 445 N GLU A 31 16.425 -4.049 10.440 1.00 0.00 N ATOM 446 CA GLU A 31 16.224 -5.426 10.023 1.00 0.00 C ATOM 447 C GLU A 31 17.025 -5.719 8.753 1.00 0.00 C ATOM 448 O GLU A 31 17.494 -6.838 8.553 1.00 0.00 O ATOM 449 CB GLU A 31 14.738 -5.724 9.815 1.00 0.00 C ATOM 450 CG GLU A 31 13.963 -5.593 11.127 1.00 0.00 C ATOM 451 CD GLU A 31 13.441 -6.953 11.595 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.270 -7.731 12.114 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.224 -7.184 11.421 1.00 0.00 O ATOM 0 H GLU A 31 15.578 -3.566 10.741 1.00 0.00 H new ATOM 0 HA GLU A 31 16.585 -6.081 10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.326 -5.038 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.618 -6.732 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.609 -5.164 11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.128 -4.906 10.993 1.00 0.00 H new ATOM 460 N GLN A 32 17.158 -4.691 7.926 1.00 0.00 N ATOM 461 CA GLN A 32 17.895 -4.823 6.681 1.00 0.00 C ATOM 462 C GLN A 32 19.367 -5.128 6.964 1.00 0.00 C ATOM 463 O GLN A 32 19.878 -6.173 6.562 1.00 0.00 O ATOM 464 CB GLN A 32 17.750 -3.565 5.822 1.00 0.00 C ATOM 465 CG GLN A 32 17.755 -3.915 4.332 1.00 0.00 C ATOM 466 CD GLN A 32 17.457 -2.680 3.479 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.317 -2.358 3.185 1.00 0.00 O ATOM 468 NE2 GLN A 32 18.541 -2.011 3.098 1.00 0.00 N ATOM 0 H GLN A 32 16.768 -3.764 8.094 1.00 0.00 H new ATOM 0 HA GLN A 32 17.474 -5.657 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.822 -3.052 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.565 -2.875 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.725 -4.328 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.012 -4.687 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.466 -2.336 3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.448 -1.173 2.524 1.00 0.00 H new ATOM 477 N ALA A 33 20.008 -4.196 7.654 1.00 0.00 N ATOM 478 CA ALA A 33 21.412 -4.352 7.995 1.00 0.00 C ATOM 479 C ALA A 33 21.561 -5.475 9.023 1.00 0.00 C ATOM 480 O ALA A 33 22.675 -5.902 9.325 1.00 0.00 O ATOM 481 CB ALA A 33 21.964 -3.019 8.504 1.00 0.00 C ATOM 0 H ALA A 33 19.582 -3.331 7.986 1.00 0.00 H new ATOM 0 HA ALA A 33 21.992 -4.631 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.017 -3.135 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.861 -2.262 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.408 -2.709 9.389 1.00 0.00 H new ATOM 487 N ALA A 34 20.423 -5.921 9.535 1.00 0.00 N ATOM 488 CA ALA A 34 20.412 -6.986 10.523 1.00 0.00 C ATOM 489 C ALA A 34 20.652 -8.326 9.824 1.00 0.00 C ATOM 490 O ALA A 34 21.347 -9.191 10.355 1.00 0.00 O ATOM 491 CB ALA A 34 19.088 -6.958 11.291 1.00 0.00 C ATOM 0 H ALA A 34 19.501 -5.564 9.284 1.00 0.00 H new ATOM 0 HA ALA A 34 21.213 -6.844 11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.080 -7.757 12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.979 -5.997 11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.261 -7.100 10.595 1.00 0.00 H new ATOM 497 N GLY A 35 20.063 -8.456 8.644 1.00 0.00 N ATOM 498 CA GLY A 35 20.206 -9.676 7.868 1.00 0.00 C ATOM 499 C GLY A 35 19.071 -9.813 6.850 1.00 0.00 C ATOM 500 O GLY A 35 19.277 -10.323 5.751 1.00 0.00 O ATOM 0 H GLY A 35 19.486 -7.737 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.165 -9.672 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.207 -10.538 8.535 1.00 0.00 H new ATOM 504 N SER A 36 17.897 -9.349 7.254 1.00 0.00 N ATOM 505 CA SER A 36 16.730 -9.413 6.392 1.00 0.00 C ATOM 506 C SER A 36 15.576 -8.624 7.014 1.00 0.00 C ATOM 507 O SER A 36 15.520 -8.453 8.230 1.00 0.00 O ATOM 508 CB SER A 36 16.309 -10.862 6.142 1.00 0.00 C ATOM 509 OG SER A 36 16.171 -11.595 7.357 1.00 0.00 O ATOM 0 H SER A 36 17.730 -8.927 8.167 1.00 0.00 H new ATOM 0 HA SER A 36 16.989 -8.968 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.363 -10.876 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 36 17.048 -11.350 5.506 1.00 0.00 H new ATOM 0 HG SER A 36 15.900 -12.515 7.155 1.00 0.00 H new ATOM 515 N VAL A 37 14.682 -8.165 6.150 1.00 0.00 N ATOM 516 CA VAL A 37 13.533 -7.397 6.599 1.00 0.00 C ATOM 517 C VAL A 37 12.288 -8.287 6.565 1.00 0.00 C ATOM 518 O VAL A 37 12.000 -8.919 5.549 1.00 0.00 O ATOM 519 CB VAL A 37 13.386 -6.131 5.754 1.00 0.00 C ATOM 520 CG1 VAL A 37 12.029 -5.465 5.994 1.00 0.00 C ATOM 521 CG2 VAL A 37 14.532 -5.154 6.028 1.00 0.00 C ATOM 0 H VAL A 37 14.730 -8.310 5.142 1.00 0.00 H new ATOM 0 HA VAL A 37 13.671 -7.068 7.629 1.00 0.00 H new ATOM 0 HB VAL A 37 13.435 -6.421 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.951 -4.567 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.231 -6.158 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.937 -5.195 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.404 -4.262 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.527 -4.874 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.482 -5.629 5.783 1.00 0.00 H new ATOM 531 N SER A 38 11.581 -8.305 7.686 1.00 0.00 N ATOM 532 CA SER A 38 10.374 -9.105 7.796 1.00 0.00 C ATOM 533 C SER A 38 9.284 -8.535 6.887 1.00 0.00 C ATOM 534 O SER A 38 9.183 -7.320 6.719 1.00 0.00 O ATOM 535 CB SER A 38 9.882 -9.163 9.244 1.00 0.00 C ATOM 536 OG SER A 38 10.881 -9.665 10.128 1.00 0.00 O ATOM 0 H SER A 38 11.822 -7.778 8.526 1.00 0.00 H new ATOM 0 HA SER A 38 10.607 -10.122 7.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.582 -8.166 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.996 -9.796 9.301 1.00 0.00 H new ATOM 0 HG SER A 38 11.339 -8.916 10.563 1.00 0.00 H new ATOM 542 N LYS A 39 8.493 -9.439 6.326 1.00 0.00 N ATOM 543 CA LYS A 39 7.414 -9.041 5.439 1.00 0.00 C ATOM 544 C LYS A 39 6.570 -7.963 6.121 1.00 0.00 C ATOM 545 O LYS A 39 6.315 -6.909 5.540 1.00 0.00 O ATOM 546 CB LYS A 39 6.606 -10.263 4.995 1.00 0.00 C ATOM 547 CG LYS A 39 7.472 -11.222 4.176 1.00 0.00 C ATOM 548 CD LYS A 39 6.919 -11.384 2.758 1.00 0.00 C ATOM 549 CE LYS A 39 8.025 -11.209 1.715 1.00 0.00 C ATOM 550 NZ LYS A 39 8.833 -12.444 1.604 1.00 0.00 N ATOM 0 H LYS A 39 8.578 -10.445 6.469 1.00 0.00 H new ATOM 0 HA LYS A 39 7.815 -8.603 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.211 -10.780 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.750 -9.942 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.494 -10.846 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.511 -12.194 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.466 -12.370 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.132 -10.651 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.585 -10.967 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.666 -10.372 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.579 -12.308 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.268 -12.658 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.221 -13.235 1.318 1.00 0.00 H new ATOM 564 N SER A 40 6.161 -8.262 7.346 1.00 0.00 N ATOM 565 CA SER A 40 5.351 -7.331 8.113 1.00 0.00 C ATOM 566 C SER A 40 5.949 -5.925 8.030 1.00 0.00 C ATOM 567 O SER A 40 5.269 -4.980 7.635 1.00 0.00 O ATOM 568 CB SER A 40 5.238 -7.774 9.573 1.00 0.00 C ATOM 569 OG SER A 40 4.417 -8.929 9.719 1.00 0.00 O ATOM 0 H SER A 40 6.376 -9.136 7.826 1.00 0.00 H new ATOM 0 HA SER A 40 4.348 -7.318 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.233 -7.984 9.966 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.826 -6.959 10.168 1.00 0.00 H new ATOM 0 HG SER A 40 4.372 -9.181 10.665 1.00 0.00 H new ATOM 575 N THR A 41 7.216 -5.832 8.408 1.00 0.00 N ATOM 576 CA THR A 41 7.913 -4.558 8.380 1.00 0.00 C ATOM 577 C THR A 41 7.809 -3.922 6.993 1.00 0.00 C ATOM 578 O THR A 41 7.660 -2.707 6.872 1.00 0.00 O ATOM 579 CB THR A 41 9.355 -4.799 8.831 1.00 0.00 C ATOM 580 OG1 THR A 41 9.231 -5.207 10.191 1.00 0.00 O ATOM 581 CG2 THR A 41 10.170 -3.505 8.903 1.00 0.00 C ATOM 0 H THR A 41 7.777 -6.618 8.735 1.00 0.00 H new ATOM 0 HA THR A 41 7.457 -3.843 9.065 1.00 0.00 H new ATOM 0 HB THR A 41 9.838 -5.495 8.145 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.121 -5.386 10.561 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.185 -3.732 9.228 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.200 -3.039 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.706 -2.822 9.614 1.00 0.00 H new ATOM 589 N GLN A 42 7.889 -4.772 5.980 1.00 0.00 N ATOM 590 CA GLN A 42 7.805 -4.308 4.605 1.00 0.00 C ATOM 591 C GLN A 42 6.412 -3.745 4.320 1.00 0.00 C ATOM 592 O GLN A 42 6.257 -2.545 4.099 1.00 0.00 O ATOM 593 CB GLN A 42 8.154 -5.431 3.626 1.00 0.00 C ATOM 594 CG GLN A 42 8.495 -4.868 2.245 1.00 0.00 C ATOM 595 CD GLN A 42 9.206 -5.915 1.385 1.00 0.00 C ATOM 596 OE1 GLN A 42 10.190 -6.516 1.781 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.653 -6.099 0.190 1.00 0.00 N ATOM 0 H GLN A 42 8.011 -5.779 6.084 1.00 0.00 H new ATOM 0 HA GLN A 42 8.534 -3.509 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.000 -6.002 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.314 -6.121 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.582 -4.542 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.131 -3.989 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.829 -5.562 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.053 -6.777 -0.458 1.00 0.00 H new ATOM 606 N PHE A 43 5.433 -4.638 4.333 1.00 0.00 N ATOM 607 CA PHE A 43 4.057 -4.245 4.078 1.00 0.00 C ATOM 608 C PHE A 43 3.632 -3.105 5.006 1.00 0.00 C ATOM 609 O PHE A 43 2.886 -2.215 4.601 1.00 0.00 O ATOM 610 CB PHE A 43 3.183 -5.469 4.358 1.00 0.00 C ATOM 611 CG PHE A 43 1.715 -5.135 4.633 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.929 -4.653 3.634 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.198 -5.319 5.877 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.433 -4.343 3.888 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.165 -5.010 6.132 1.00 0.00 C ATOM 616 CZ PHE A 43 -0.951 -4.528 5.132 1.00 0.00 C ATOM 0 H PHE A 43 5.565 -5.633 4.516 1.00 0.00 H new ATOM 0 HA PHE A 43 3.953 -3.898 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.238 -6.145 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.590 -6.005 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.341 -4.506 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.823 -5.700 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.057 -3.961 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.577 -5.158 7.119 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.987 -4.292 5.326 1.00 0.00 H new ATOM 626 N GLU A 44 4.125 -3.169 6.234 1.00 0.00 N ATOM 627 CA GLU A 44 3.805 -2.154 7.223 1.00 0.00 C ATOM 628 C GLU A 44 4.302 -0.784 6.757 1.00 0.00 C ATOM 629 O GLU A 44 3.506 0.070 6.369 1.00 0.00 O ATOM 630 CB GLU A 44 4.393 -2.515 8.589 1.00 0.00 C ATOM 631 CG GLU A 44 3.560 -3.599 9.276 1.00 0.00 C ATOM 632 CD GLU A 44 4.288 -4.158 10.499 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.400 -4.695 10.301 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.718 -4.036 11.604 1.00 0.00 O ATOM 0 H GLU A 44 4.744 -3.908 6.567 1.00 0.00 H new ATOM 0 HA GLU A 44 2.721 -2.108 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.419 -2.863 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.430 -1.626 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.598 -3.186 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.354 -4.405 8.572 1.00 0.00 H new ATOM 641 N TYR A 45 5.615 -0.617 6.809 1.00 0.00 N ATOM 642 CA TYR A 45 6.227 0.635 6.397 1.00 0.00 C ATOM 643 C TYR A 45 5.767 1.035 4.994 1.00 0.00 C ATOM 644 O TYR A 45 5.700 2.220 4.672 1.00 0.00 O ATOM 645 CB TYR A 45 7.735 0.379 6.373 1.00 0.00 C ATOM 646 CG TYR A 45 8.531 1.420 5.584 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.600 2.723 6.036 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.177 1.058 4.420 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.349 3.704 5.293 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.926 2.039 3.677 1.00 0.00 C ATOM 651 CZ TYR A 45 9.974 3.313 4.150 1.00 0.00 C ATOM 652 OH TYR A 45 10.682 4.239 3.449 1.00 0.00 O ATOM 0 H TYR A 45 6.272 -1.328 7.130 1.00 0.00 H new ATOM 0 HA TYR A 45 5.950 1.440 7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.105 0.354 7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.919 -0.606 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.093 3.007 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.121 0.039 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.413 4.726 5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.438 1.769 2.765 1.00 0.00 H new ATOM 0 HH TYR A 45 11.075 3.818 2.656 1.00 0.00 H new ATOM 662 N ALA A 46 5.460 0.022 4.196 1.00 0.00 N ATOM 663 CA ALA A 46 5.008 0.253 2.835 1.00 0.00 C ATOM 664 C ALA A 46 3.640 0.937 2.865 1.00 0.00 C ATOM 665 O ALA A 46 3.364 1.819 2.053 1.00 0.00 O ATOM 666 CB ALA A 46 4.978 -1.074 2.074 1.00 0.00 C ATOM 0 H ALA A 46 5.516 -0.960 4.466 1.00 0.00 H new ATOM 0 HA ALA A 46 5.697 0.915 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.639 -0.900 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.979 -1.505 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.295 -1.763 2.571 1.00 0.00 H new ATOM 672 N TRP A 47 2.818 0.505 3.811 1.00 0.00 N ATOM 673 CA TRP A 47 1.486 1.065 3.958 1.00 0.00 C ATOM 674 C TRP A 47 1.629 2.497 4.475 1.00 0.00 C ATOM 675 O TRP A 47 0.782 3.347 4.203 1.00 0.00 O ATOM 676 CB TRP A 47 0.619 0.186 4.863 1.00 0.00 C ATOM 677 CG TRP A 47 -0.711 0.827 5.263 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.166 1.081 6.498 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.747 1.290 4.370 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.414 1.669 6.466 1.00 0.00 N ATOM 681 CE2 TRP A 47 -2.778 1.800 5.131 1.00 0.00 C ATOM 682 CE3 TRP A 47 -1.809 1.275 2.965 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -3.948 2.336 4.577 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -2.985 1.814 2.427 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.032 2.333 3.180 1.00 0.00 C ATOM 0 H TRP A 47 3.050 -0.227 4.483 1.00 0.00 H new ATOM 0 HA TRP A 47 0.971 1.092 2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.418 -0.756 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.181 -0.054 5.766 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.624 0.854 7.404 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.968 1.955 7.274 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.014 0.880 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.742 2.730 5.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.085 1.827 1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.907 2.732 2.689 1.00 0.00 H new ATOM 696 N CYS A 48 2.707 2.721 5.213 1.00 0.00 N ATOM 697 CA CYS A 48 2.971 4.035 5.771 1.00 0.00 C ATOM 698 C CYS A 48 3.084 5.034 4.616 1.00 0.00 C ATOM 699 O CYS A 48 2.285 5.963 4.514 1.00 0.00 O ATOM 700 CB CYS A 48 4.224 4.036 6.649 1.00 0.00 C ATOM 701 SG CYS A 48 4.007 2.878 8.051 1.00 0.00 S ATOM 0 H CYS A 48 3.407 2.014 5.437 1.00 0.00 H new ATOM 0 HA CYS A 48 2.149 4.327 6.424 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.093 3.746 6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.415 5.042 7.023 1.00 0.00 H new ATOM 0 HG CYS A 48 3.811 1.677 7.595 1.00 0.00 H new ATOM 707 N LEU A 49 4.084 4.808 3.777 1.00 0.00 N ATOM 708 CA LEU A 49 4.312 5.675 2.634 1.00 0.00 C ATOM 709 C LEU A 49 2.965 6.129 2.067 1.00 0.00 C ATOM 710 O LEU A 49 2.613 7.304 2.162 1.00 0.00 O ATOM 711 CB LEU A 49 5.209 4.983 1.607 1.00 0.00 C ATOM 712 CG LEU A 49 6.662 4.754 2.030 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.112 5.813 3.039 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.860 3.334 2.562 1.00 0.00 C ATOM 0 H LEU A 49 4.746 4.037 3.866 1.00 0.00 H new ATOM 0 HA LEU A 49 4.849 6.573 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.767 4.018 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.207 5.577 0.693 1.00 0.00 H new ATOM 0 HG LEU A 49 7.296 4.859 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.148 5.628 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.031 6.802 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.478 5.764 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.901 3.197 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.215 3.176 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.605 2.615 1.783 1.00 0.00 H new ATOM 726 N VAL A 50 2.250 5.175 1.491 1.00 0.00 N ATOM 727 CA VAL A 50 0.949 5.462 0.910 1.00 0.00 C ATOM 728 C VAL A 50 0.106 6.244 1.918 1.00 0.00 C ATOM 729 O VAL A 50 -0.551 7.220 1.560 1.00 0.00 O ATOM 730 CB VAL A 50 0.283 4.163 0.452 1.00 0.00 C ATOM 731 CG1 VAL A 50 1.017 3.564 -0.750 1.00 0.00 C ATOM 732 CG2 VAL A 50 0.197 3.156 1.601 1.00 0.00 C ATOM 0 H VAL A 50 2.546 4.202 1.414 1.00 0.00 H new ATOM 0 HA VAL A 50 1.056 6.087 0.023 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.734 4.400 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.523 2.642 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.002 4.274 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.050 3.349 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.280 2.242 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.200 2.926 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.390 3.582 2.415 1.00 0.00 H new ATOM 742 N ARG A 51 0.151 5.785 3.161 1.00 0.00 N ATOM 743 CA ARG A 51 -0.601 6.430 4.224 1.00 0.00 C ATOM 744 C ARG A 51 -0.113 7.866 4.425 1.00 0.00 C ATOM 745 O ARG A 51 -0.831 8.699 4.974 1.00 0.00 O ATOM 746 CB ARG A 51 -0.463 5.663 5.540 1.00 0.00 C ATOM 747 CG ARG A 51 -1.459 4.502 5.605 1.00 0.00 C ATOM 748 CD ARG A 51 -2.812 4.971 6.145 1.00 0.00 C ATOM 749 NE ARG A 51 -2.756 5.086 7.619 1.00 0.00 N ATOM 750 CZ ARG A 51 -3.804 5.417 8.385 1.00 0.00 C ATOM 751 NH1 ARG A 51 -4.994 5.667 7.824 1.00 0.00 N ATOM 752 NH2 ARG A 51 -3.661 5.498 9.716 1.00 0.00 N ATOM 0 H ARG A 51 0.696 4.975 3.455 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.650 6.438 3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.553 5.281 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.631 6.339 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.589 4.073 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.062 3.713 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.074 5.934 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.592 4.267 5.856 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.865 4.902 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.104 5.606 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.791 5.919 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.755 5.308 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.458 5.750 10.300 1.00 0.00 H new ATOM 766 N SER A 52 1.108 8.111 3.969 1.00 0.00 N ATOM 767 CA SER A 52 1.701 9.431 4.092 1.00 0.00 C ATOM 768 C SER A 52 0.938 10.431 3.222 1.00 0.00 C ATOM 769 O SER A 52 -0.159 10.138 2.748 1.00 0.00 O ATOM 770 CB SER A 52 3.181 9.409 3.703 1.00 0.00 C ATOM 771 OG SER A 52 3.883 10.544 4.204 1.00 0.00 O ATOM 0 H SER A 52 1.702 7.417 3.514 1.00 0.00 H new ATOM 0 HA SER A 52 1.632 9.741 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.643 8.499 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.270 9.378 2.617 1.00 0.00 H new ATOM 0 HG SER A 52 4.824 10.491 3.936 1.00 0.00 H new ATOM 777 N LYS A 53 1.549 11.592 3.035 1.00 0.00 N ATOM 778 CA LYS A 53 0.941 12.637 2.230 1.00 0.00 C ATOM 779 C LYS A 53 1.782 12.859 0.972 1.00 0.00 C ATOM 780 O LYS A 53 1.330 13.498 0.023 1.00 0.00 O ATOM 781 CB LYS A 53 0.734 13.904 3.062 1.00 0.00 C ATOM 782 CG LYS A 53 2.076 14.498 3.499 1.00 0.00 C ATOM 783 CD LYS A 53 1.930 15.278 4.808 1.00 0.00 C ATOM 784 CE LYS A 53 2.334 16.741 4.622 1.00 0.00 C ATOM 785 NZ LYS A 53 1.509 17.619 5.482 1.00 0.00 N ATOM 0 H LYS A 53 2.459 11.832 3.428 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.053 12.334 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.179 14.639 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.131 13.672 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.807 13.700 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.457 15.157 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.898 15.223 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.550 14.821 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.388 16.868 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.214 17.028 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.796 18.609 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.506 17.510 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.644 17.355 6.479 1.00 0.00 H new ATOM 799 N TYR A 54 2.991 12.318 1.003 1.00 0.00 N ATOM 800 CA TYR A 54 3.900 12.449 -0.123 1.00 0.00 C ATOM 801 C TYR A 54 3.535 11.467 -1.239 1.00 0.00 C ATOM 802 O TYR A 54 3.268 10.295 -0.976 1.00 0.00 O ATOM 803 CB TYR A 54 5.290 12.100 0.413 1.00 0.00 C ATOM 804 CG TYR A 54 6.015 13.273 1.074 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.449 13.910 2.161 1.00 0.00 C ATOM 806 CD2 TYR A 54 7.233 13.697 0.584 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.131 15.015 2.783 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.915 14.801 1.207 1.00 0.00 C ATOM 809 CZ TYR A 54 7.330 15.406 2.276 1.00 0.00 C ATOM 810 OH TYR A 54 7.975 16.450 2.864 1.00 0.00 O ATOM 0 H TYR A 54 3.363 11.788 1.791 1.00 0.00 H new ATOM 0 HA TYR A 54 3.853 13.456 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.196 11.290 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.901 11.725 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.495 13.579 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.675 13.200 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.700 15.522 3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.870 15.141 0.834 1.00 0.00 H new ATOM 0 HH TYR A 54 8.820 16.617 2.397 1.00 0.00 H new ATOM 820 N ASN A 55 3.535 11.981 -2.460 1.00 0.00 N ATOM 821 CA ASN A 55 3.208 11.164 -3.616 1.00 0.00 C ATOM 822 C ASN A 55 4.370 10.214 -3.910 1.00 0.00 C ATOM 823 O ASN A 55 4.162 9.024 -4.136 1.00 0.00 O ATOM 824 CB ASN A 55 2.981 12.031 -4.856 1.00 0.00 C ATOM 825 CG ASN A 55 1.770 12.948 -4.670 1.00 0.00 C ATOM 826 OD1 ASN A 55 0.632 12.513 -4.617 1.00 0.00 O ATOM 827 ND2 ASN A 55 2.078 14.238 -4.574 1.00 0.00 N ATOM 0 H ASN A 55 3.756 12.953 -2.674 1.00 0.00 H new ATOM 0 HA ASN A 55 2.296 10.611 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.869 12.631 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.829 11.394 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.340 14.931 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.052 14.535 -4.626 1.00 0.00 H new ATOM 834 N GLU A 56 5.570 10.776 -3.897 1.00 0.00 N ATOM 835 CA GLU A 56 6.766 9.994 -4.159 1.00 0.00 C ATOM 836 C GLU A 56 6.827 8.787 -3.221 1.00 0.00 C ATOM 837 O GLU A 56 7.541 7.823 -3.490 1.00 0.00 O ATOM 838 CB GLU A 56 8.025 10.855 -4.027 1.00 0.00 C ATOM 839 CG GLU A 56 8.159 11.814 -5.212 1.00 0.00 C ATOM 840 CD GLU A 56 9.591 12.338 -5.332 1.00 0.00 C ATOM 841 OE1 GLU A 56 9.994 13.102 -4.428 1.00 0.00 O ATOM 842 OE2 GLU A 56 10.251 11.964 -6.325 1.00 0.00 O ATOM 0 H GLU A 56 5.739 11.764 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 56 6.721 9.630 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.986 11.423 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.905 10.214 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.876 11.303 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.471 12.650 -5.088 1.00 0.00 H new ATOM 849 N ASP A 57 6.069 8.880 -2.139 1.00 0.00 N ATOM 850 CA ASP A 57 6.027 7.808 -1.159 1.00 0.00 C ATOM 851 C ASP A 57 4.954 6.794 -1.564 1.00 0.00 C ATOM 852 O ASP A 57 5.169 5.587 -1.472 1.00 0.00 O ATOM 853 CB ASP A 57 5.672 8.343 0.229 1.00 0.00 C ATOM 854 CG ASP A 57 6.658 9.365 0.799 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.497 9.848 0.008 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.551 9.640 2.014 1.00 0.00 O ATOM 0 H ASP A 57 5.478 9.682 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 57 7.013 7.344 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.683 8.800 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.603 7.502 0.919 1.00 0.00 H new ATOM 861 N ILE A 58 3.821 7.325 -2.002 1.00 0.00 N ATOM 862 CA ILE A 58 2.714 6.481 -2.421 1.00 0.00 C ATOM 863 C ILE A 58 3.231 5.403 -3.375 1.00 0.00 C ATOM 864 O ILE A 58 2.695 4.297 -3.417 1.00 0.00 O ATOM 865 CB ILE A 58 1.585 7.332 -3.006 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.006 8.277 -1.952 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.507 6.450 -3.640 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.350 9.494 -2.608 1.00 0.00 C ATOM 0 H ILE A 58 3.646 8.327 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 58 2.282 5.965 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 58 2.001 7.953 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.272 7.746 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.798 8.605 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.284 7.079 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.948 5.856 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.089 5.786 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.054 10.150 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.093 10.036 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.457 9.164 -3.262 1.00 0.00 H new ATOM 880 N ARG A 59 4.267 5.765 -4.119 1.00 0.00 N ATOM 881 CA ARG A 59 4.862 4.842 -5.070 1.00 0.00 C ATOM 882 C ARG A 59 5.679 3.776 -4.336 1.00 0.00 C ATOM 883 O ARG A 59 5.810 2.650 -4.815 1.00 0.00 O ATOM 884 CB ARG A 59 5.771 5.580 -6.057 1.00 0.00 C ATOM 885 CG ARG A 59 6.214 4.652 -7.191 1.00 0.00 C ATOM 886 CD ARG A 59 7.106 5.394 -8.189 1.00 0.00 C ATOM 887 NE ARG A 59 6.369 5.627 -9.450 1.00 0.00 N ATOM 888 CZ ARG A 59 6.767 6.477 -10.408 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.898 7.179 -10.252 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.035 6.624 -11.520 1.00 0.00 N ATOM 0 H ARG A 59 4.709 6.684 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 59 4.052 4.367 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.243 6.440 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.646 5.965 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.754 3.800 -6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.338 4.256 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.427 6.345 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.007 4.813 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 59 5.504 5.109 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.455 7.067 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.201 7.826 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.174 6.089 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.338 7.271 -12.248 1.00 0.00 H new ATOM 904 N ARG A 60 6.207 4.168 -3.185 1.00 0.00 N ATOM 905 CA ARG A 60 7.007 3.260 -2.381 1.00 0.00 C ATOM 906 C ARG A 60 6.158 2.074 -1.918 1.00 0.00 C ATOM 907 O ARG A 60 6.363 0.947 -2.365 1.00 0.00 O ATOM 908 CB ARG A 60 7.586 3.974 -1.158 1.00 0.00 C ATOM 909 CG ARG A 60 9.114 4.024 -1.226 1.00 0.00 C ATOM 910 CD ARG A 60 9.618 5.466 -1.165 1.00 0.00 C ATOM 911 NE ARG A 60 11.018 5.534 -1.639 1.00 0.00 N ATOM 912 CZ ARG A 60 11.803 6.612 -1.512 1.00 0.00 C ATOM 913 NH1 ARG A 60 11.331 7.720 -0.925 1.00 0.00 N ATOM 914 NH2 ARG A 60 13.062 6.583 -1.972 1.00 0.00 N ATOM 0 H ARG A 60 6.096 5.102 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 60 7.829 2.902 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.187 4.987 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.275 3.458 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.537 3.452 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.456 3.554 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.986 6.107 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.553 5.840 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 60 11.410 4.708 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.373 7.743 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.929 8.540 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.422 5.740 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.659 7.404 -1.875 1.00 0.00 H new ATOM 928 N GLY A 61 5.222 2.370 -1.028 1.00 0.00 N ATOM 929 CA GLY A 61 4.342 1.342 -0.498 1.00 0.00 C ATOM 930 C GLY A 61 3.963 0.333 -1.583 1.00 0.00 C ATOM 931 O GLY A 61 3.715 -0.836 -1.289 1.00 0.00 O ATOM 0 H GLY A 61 5.054 3.307 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.834 0.827 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.441 1.803 -0.094 1.00 0.00 H new ATOM 935 N ILE A 62 3.931 0.820 -2.814 1.00 0.00 N ATOM 936 CA ILE A 62 3.586 -0.025 -3.945 1.00 0.00 C ATOM 937 C ILE A 62 4.735 -0.999 -4.217 1.00 0.00 C ATOM 938 O ILE A 62 4.601 -2.201 -3.991 1.00 0.00 O ATOM 939 CB ILE A 62 3.205 0.828 -5.156 1.00 0.00 C ATOM 940 CG1 ILE A 62 2.003 1.721 -4.841 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.963 -0.046 -6.389 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.771 2.743 -5.956 1.00 0.00 C ATOM 0 H ILE A 62 4.138 1.790 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 62 2.705 -0.625 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 62 4.043 1.486 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.112 1.106 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.168 2.239 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.694 0.586 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.871 -0.602 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.152 -0.745 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.911 3.365 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.655 3.372 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.582 2.221 -6.894 1.00 0.00 H new ATOM 954 N VAL A 63 5.838 -0.445 -4.697 1.00 0.00 N ATOM 955 CA VAL A 63 7.009 -1.248 -5.002 1.00 0.00 C ATOM 956 C VAL A 63 7.130 -2.375 -3.974 1.00 0.00 C ATOM 957 O VAL A 63 7.539 -3.485 -4.310 1.00 0.00 O ATOM 958 CB VAL A 63 8.252 -0.360 -5.064 1.00 0.00 C ATOM 959 CG1 VAL A 63 8.585 0.215 -3.686 1.00 0.00 C ATOM 960 CG2 VAL A 63 9.445 -1.125 -5.642 1.00 0.00 C ATOM 0 H VAL A 63 5.945 0.552 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 63 6.909 -1.711 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 63 8.034 0.474 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.473 0.843 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.746 0.813 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.773 -0.600 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.316 -0.470 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.663 -1.988 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.207 -1.463 -6.651 1.00 0.00 H new ATOM 970 N LEU A 64 6.766 -2.050 -2.741 1.00 0.00 N ATOM 971 CA LEU A 64 6.829 -3.021 -1.662 1.00 0.00 C ATOM 972 C LEU A 64 5.586 -3.912 -1.711 1.00 0.00 C ATOM 973 O LEU A 64 5.696 -5.130 -1.850 1.00 0.00 O ATOM 974 CB LEU A 64 7.029 -2.317 -0.319 1.00 0.00 C ATOM 975 CG LEU A 64 7.926 -1.077 -0.339 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.011 -0.441 1.050 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.308 -1.409 -0.904 1.00 0.00 C ATOM 0 H LEU A 64 6.427 -1.128 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 64 7.694 -3.673 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.051 -2.028 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.450 -3.034 0.386 1.00 0.00 H new ATOM 0 HG LEU A 64 7.476 -0.340 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.654 0.438 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.014 -0.146 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.426 -1.161 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.925 -0.511 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.780 -2.172 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.205 -1.782 -1.923 1.00 0.00 H new ATOM 989 N LEU A 65 4.433 -3.270 -1.592 1.00 0.00 N ATOM 990 CA LEU A 65 3.171 -3.990 -1.620 1.00 0.00 C ATOM 991 C LEU A 65 3.130 -4.892 -2.856 1.00 0.00 C ATOM 992 O LEU A 65 2.753 -6.059 -2.764 1.00 0.00 O ATOM 993 CB LEU A 65 1.996 -3.014 -1.534 1.00 0.00 C ATOM 994 CG LEU A 65 1.650 -2.503 -0.133 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.743 -2.873 0.870 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.376 -0.997 -0.151 1.00 0.00 C ATOM 0 H LEU A 65 4.346 -2.260 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 65 3.083 -4.638 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.215 -2.155 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.114 -3.501 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 65 0.733 -2.994 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.473 -2.498 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.849 -3.957 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.688 -2.428 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.133 -0.659 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.262 -0.470 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.538 -0.788 -0.816 1.00 0.00 H new ATOM 1008 N GLU A 66 3.525 -4.317 -3.982 1.00 0.00 N ATOM 1009 CA GLU A 66 3.539 -5.055 -5.234 1.00 0.00 C ATOM 1010 C GLU A 66 4.551 -6.201 -5.163 1.00 0.00 C ATOM 1011 O GLU A 66 4.558 -7.082 -6.022 1.00 0.00 O ATOM 1012 CB GLU A 66 3.841 -4.129 -6.413 1.00 0.00 C ATOM 1013 CG GLU A 66 2.611 -3.299 -6.788 1.00 0.00 C ATOM 1014 CD GLU A 66 2.666 -2.869 -8.254 1.00 0.00 C ATOM 1015 OE1 GLU A 66 2.917 -3.757 -9.097 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.456 -1.661 -8.501 1.00 0.00 O ATOM 0 H GLU A 66 3.838 -3.349 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 66 2.548 -5.480 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.667 -3.466 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.161 -4.720 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.707 -3.881 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.554 -2.418 -6.149 1.00 0.00 H new ATOM 1023 N GLU A 67 5.381 -6.152 -4.132 1.00 0.00 N ATOM 1024 CA GLU A 67 6.395 -7.175 -3.939 1.00 0.00 C ATOM 1025 C GLU A 67 5.911 -8.217 -2.927 1.00 0.00 C ATOM 1026 O GLU A 67 6.229 -9.398 -3.048 1.00 0.00 O ATOM 1027 CB GLU A 67 7.721 -6.556 -3.496 1.00 0.00 C ATOM 1028 CG GLU A 67 8.616 -6.257 -4.701 1.00 0.00 C ATOM 1029 CD GLU A 67 9.912 -7.069 -4.636 1.00 0.00 C ATOM 1030 OE1 GLU A 67 9.881 -8.224 -5.110 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.902 -6.514 -4.114 1.00 0.00 O ATOM 0 H GLU A 67 5.372 -5.420 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 67 6.566 -7.674 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.530 -5.636 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.235 -7.236 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.082 -6.491 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.850 -5.193 -4.729 1.00 0.00 H new ATOM 1038 N LEU A 68 5.152 -7.740 -1.951 1.00 0.00 N ATOM 1039 CA LEU A 68 4.621 -8.614 -0.919 1.00 0.00 C ATOM 1040 C LEU A 68 3.386 -9.339 -1.457 1.00 0.00 C ATOM 1041 O LEU A 68 3.016 -10.399 -0.953 1.00 0.00 O ATOM 1042 CB LEU A 68 4.363 -7.829 0.368 1.00 0.00 C ATOM 1043 CG LEU A 68 5.527 -6.980 0.881 1.00 0.00 C ATOM 1044 CD1 LEU A 68 5.051 -5.584 1.287 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.262 -7.688 2.021 1.00 0.00 C ATOM 0 H LEU A 68 4.892 -6.759 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 68 5.351 -9.380 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.506 -7.175 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.082 -8.534 1.150 1.00 0.00 H new ATOM 0 HG LEU A 68 6.241 -6.853 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.898 -5.001 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.609 -5.085 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.306 -5.669 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.085 -7.063 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.570 -7.866 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.655 -8.640 1.665 1.00 0.00 H new ATOM 1057 N LEU A 69 2.781 -8.739 -2.471 1.00 0.00 N ATOM 1058 CA LEU A 69 1.595 -9.314 -3.082 1.00 0.00 C ATOM 1059 C LEU A 69 1.940 -10.688 -3.661 1.00 0.00 C ATOM 1060 O LEU A 69 1.366 -11.698 -3.257 1.00 0.00 O ATOM 1061 CB LEU A 69 0.996 -8.347 -4.105 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.436 -7.882 -3.831 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.644 -6.442 -4.304 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.452 -8.841 -4.453 1.00 0.00 C ATOM 0 H LEU A 69 3.090 -7.860 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 69 0.818 -9.469 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.637 -7.468 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.021 -8.825 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.599 -7.894 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.670 -6.136 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.045 -5.783 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.456 -6.380 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.462 -8.487 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.299 -8.884 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.321 -9.836 -4.028 1.00 0.00 H new ATOM 1076 N PRO A 70 2.899 -10.680 -4.625 1.00 0.00 N ATOM 1077 CA PRO A 70 3.327 -11.912 -5.264 1.00 0.00 C ATOM 1078 C PRO A 70 4.221 -12.732 -4.332 1.00 0.00 C ATOM 1079 O PRO A 70 4.590 -13.861 -4.653 1.00 0.00 O ATOM 1080 CB PRO A 70 4.040 -11.471 -6.533 1.00 0.00 C ATOM 1081 CG PRO A 70 4.391 -10.007 -6.326 1.00 0.00 C ATOM 1082 CD PRO A 70 3.600 -9.503 -5.129 1.00 0.00 C ATOM 0 HA PRO A 70 2.494 -12.574 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.936 -12.067 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.400 -11.600 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.461 -9.892 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.148 -9.427 -7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.258 -9.079 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.900 -8.719 -5.419 1.00 0.00 H new ATOM 1090 N LYS A 71 4.544 -12.133 -3.195 1.00 0.00 N ATOM 1091 CA LYS A 71 5.387 -12.793 -2.214 1.00 0.00 C ATOM 1092 C LYS A 71 4.661 -12.833 -0.867 1.00 0.00 C ATOM 1093 O LYS A 71 5.297 -12.825 0.186 1.00 0.00 O ATOM 1094 CB LYS A 71 6.761 -12.124 -2.151 1.00 0.00 C ATOM 1095 CG LYS A 71 7.319 -11.883 -3.556 1.00 0.00 C ATOM 1096 CD LYS A 71 8.688 -11.204 -3.494 1.00 0.00 C ATOM 1097 CE LYS A 71 9.387 -11.255 -4.854 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.692 -10.560 -4.792 1.00 0.00 N ATOM 0 H LYS A 71 4.236 -11.197 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 71 5.574 -13.826 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.684 -11.176 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.449 -12.752 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.404 -12.832 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.627 -11.262 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.570 -10.167 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.308 -11.695 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.535 -12.292 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.756 -10.790 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.261 -10.814 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.537 -9.532 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.196 -10.845 -3.928 1.00 0.00 H new ATOM 1112 N GLY A 72 3.340 -12.875 -0.945 1.00 0.00 N ATOM 1113 CA GLY A 72 2.519 -12.915 0.254 1.00 0.00 C ATOM 1114 C GLY A 72 1.544 -14.093 0.212 1.00 0.00 C ATOM 1115 O GLY A 72 1.780 -15.075 -0.492 1.00 0.00 O ATOM 0 H GLY A 72 2.816 -12.882 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.157 -12.998 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.964 -11.982 0.350 1.00 0.00 H new ATOM 1119 N SER A 73 0.468 -13.957 0.972 1.00 0.00 N ATOM 1120 CA SER A 73 -0.545 -14.997 1.030 1.00 0.00 C ATOM 1121 C SER A 73 -1.747 -14.606 0.169 1.00 0.00 C ATOM 1122 O SER A 73 -1.814 -13.488 -0.339 1.00 0.00 O ATOM 1123 CB SER A 73 -0.986 -15.256 2.471 1.00 0.00 C ATOM 1124 OG SER A 73 -1.035 -16.648 2.774 1.00 0.00 O ATOM 0 H SER A 73 0.275 -13.141 1.554 1.00 0.00 H new ATOM 0 HA SER A 73 -0.112 -15.918 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.297 -14.760 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.969 -14.815 2.634 1.00 0.00 H new ATOM 0 HG SER A 73 -1.319 -16.771 3.704 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.667 -15.550 0.030 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.863 -15.318 -0.762 1.00 0.00 C ATOM 1132 C LYS A 74 -4.818 -14.412 0.019 1.00 0.00 C ATOM 1133 O LYS A 74 -5.158 -13.321 -0.438 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.489 -16.647 -1.189 1.00 0.00 C ATOM 1135 CG LYS A 74 -3.893 -17.132 -2.513 1.00 0.00 C ATOM 1136 CD LYS A 74 -4.920 -17.932 -3.316 1.00 0.00 C ATOM 1137 CE LYS A 74 -4.441 -19.366 -3.546 1.00 0.00 C ATOM 1138 NZ LYS A 74 -4.712 -19.787 -4.939 1.00 0.00 N ATOM 0 H LYS A 74 -2.608 -16.477 0.452 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.613 -14.798 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.324 -17.397 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.568 -16.529 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.554 -16.277 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.017 -17.751 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.872 -17.944 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.096 -17.445 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.373 -19.436 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.944 -20.039 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.380 -20.763 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.734 -19.739 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.212 -19.155 -5.596 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.224 -14.898 1.182 1.00 0.00 N ATOM 1153 CA GLU A 75 -6.134 -14.146 2.031 1.00 0.00 C ATOM 1154 C GLU A 75 -5.459 -12.865 2.528 1.00 0.00 C ATOM 1155 O GLU A 75 -6.115 -11.997 3.102 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.622 -14.999 3.203 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.444 -15.525 4.026 1.00 0.00 C ATOM 1158 CD GLU A 75 -5.754 -15.472 5.523 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -6.615 -16.270 5.953 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -5.124 -14.634 6.204 1.00 0.00 O ATOM 0 H GLU A 75 -4.940 -15.803 1.557 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.006 -13.868 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.279 -14.407 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.211 -15.836 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.221 -16.551 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.554 -14.932 3.814 1.00 0.00 H new ATOM 1167 N GLU A 76 -4.159 -12.788 2.289 1.00 0.00 N ATOM 1168 CA GLU A 76 -3.389 -11.629 2.705 1.00 0.00 C ATOM 1169 C GLU A 76 -3.294 -10.617 1.562 1.00 0.00 C ATOM 1170 O GLU A 76 -3.043 -9.435 1.793 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.997 -12.041 3.190 1.00 0.00 C ATOM 1172 CG GLU A 76 -2.050 -12.564 4.626 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.827 -12.104 5.423 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.232 -12.747 5.259 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -0.979 -11.120 6.178 1.00 0.00 O ATOM 0 H GLU A 76 -3.619 -13.510 1.812 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.904 -11.156 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.592 -12.811 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.321 -11.188 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.959 -12.211 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.095 -13.653 4.619 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.499 -11.117 0.352 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.439 -10.271 -0.828 1.00 0.00 C ATOM 1184 C GLN A 77 -4.616 -9.294 -0.840 1.00 0.00 C ATOM 1185 O GLN A 77 -4.517 -8.204 -1.400 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.411 -11.113 -2.105 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.976 -11.330 -2.588 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.954 -11.873 -4.018 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.857 -11.648 -4.808 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.876 -12.596 -4.306 1.00 0.00 N ATOM 0 H GLN A 77 -3.707 -12.098 0.163 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.514 -9.695 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.886 -12.077 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.990 -10.617 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.428 -10.389 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.466 -12.027 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.158 -12.745 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.767 -13.001 -5.236 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.705 -9.721 -0.217 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.901 -8.898 -0.150 1.00 0.00 C ATOM 1201 C ARG A 78 -6.636 -7.647 0.690 1.00 0.00 C ATOM 1202 O ARG A 78 -7.379 -6.670 0.606 1.00 0.00 O ATOM 1203 CB ARG A 78 -8.071 -9.675 0.459 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.541 -10.784 -0.483 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.680 -12.038 -0.327 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.539 -13.244 -0.323 1.00 0.00 N ATOM 1207 CZ ARG A 78 -8.974 -13.861 -1.429 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -8.632 -13.390 -2.637 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -9.749 -14.949 -1.330 1.00 0.00 N ATOM 0 H ARG A 78 -5.784 -10.626 0.246 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.163 -8.609 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.768 -10.107 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.897 -8.994 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.583 -11.026 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.496 -10.434 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.959 -12.098 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.109 -11.985 0.600 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.817 -13.629 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.041 -12.562 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.963 -13.859 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.008 -15.308 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.080 -15.418 -2.173 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.576 -7.717 1.481 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.204 -6.602 2.335 1.00 0.00 C ATOM 1225 C ASP A 79 -4.236 -5.688 1.581 1.00 0.00 C ATOM 1226 O ASP A 79 -4.139 -4.499 1.881 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.503 -7.089 3.604 1.00 0.00 C ATOM 1228 CG ASP A 79 -5.286 -6.876 4.900 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -6.446 -6.419 4.793 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.710 -7.172 5.968 1.00 0.00 O ATOM 0 H ASP A 79 -4.962 -8.529 1.549 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.115 -6.069 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.290 -8.153 3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.544 -6.579 3.689 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.545 -6.278 0.617 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.587 -5.531 -0.182 1.00 0.00 C ATOM 1237 C TYR A 80 -3.299 -4.683 -1.239 1.00 0.00 C ATOM 1238 O TYR A 80 -3.336 -3.458 -1.134 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.720 -6.576 -0.885 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.799 -7.356 0.057 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.371 -6.781 1.236 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.397 -8.635 -0.273 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.495 -7.515 2.122 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.468 -9.368 0.613 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.871 -8.773 1.767 1.00 0.00 C ATOM 1246 OH TYR A 80 1.690 -9.465 2.604 1.00 0.00 O ATOM 0 H TYR A 80 -3.629 -7.264 0.371 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.004 -4.858 0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.368 -7.279 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.113 -6.080 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.685 -5.781 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.732 -9.085 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.838 -7.077 3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.790 -10.369 0.367 1.00 0.00 H new ATOM 0 HH TYR A 80 1.875 -10.349 2.224 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.845 -5.368 -2.232 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.554 -4.693 -3.306 1.00 0.00 C ATOM 1258 C VAL A 81 -5.257 -3.454 -2.748 1.00 0.00 C ATOM 1259 O VAL A 81 -5.072 -2.349 -3.256 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.513 -5.666 -3.994 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.257 -4.983 -5.143 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.772 -6.911 -4.484 1.00 0.00 C ATOM 0 H VAL A 81 -3.811 -6.384 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.855 -4.353 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.252 -5.984 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.932 -5.697 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.832 -4.142 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.538 -4.623 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.477 -7.586 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.001 -6.618 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.310 -7.417 -3.636 1.00 0.00 H new ATOM 1272 N PHE A 82 -6.049 -3.681 -1.710 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.781 -2.596 -1.077 1.00 0.00 C ATOM 1274 C PHE A 82 -5.940 -1.319 -1.033 1.00 0.00 C ATOM 1275 O PHE A 82 -6.432 -0.237 -1.348 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.088 -3.039 0.354 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.925 -2.037 1.150 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -9.009 -1.449 0.577 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.585 -1.732 2.431 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.786 -0.517 1.316 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.361 -0.801 3.170 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.446 -0.213 2.597 1.00 0.00 C ATOM 0 H PHE A 82 -6.200 -4.599 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.689 -2.382 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.615 -3.993 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.149 -3.211 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.279 -1.691 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.724 -2.198 2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.647 -0.050 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.090 -0.559 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.037 0.495 3.159 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.686 -1.487 -0.640 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.772 -0.362 -0.550 1.00 0.00 C ATOM 1294 C TYR A 83 -3.305 0.078 -1.940 1.00 0.00 C ATOM 1295 O TYR A 83 -3.423 1.249 -2.297 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.564 -0.861 0.245 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.811 -0.963 1.752 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.047 -0.640 2.273 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.796 -1.377 2.591 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.280 -0.735 3.690 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.028 -1.471 4.010 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.258 -1.146 4.489 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.477 -1.236 5.828 1.00 0.00 O ATOM 0 H TYR A 83 -4.281 -2.387 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.260 0.491 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.273 -1.841 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.724 -0.190 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.841 -0.315 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.828 -1.630 2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.244 -0.486 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.242 -1.792 4.678 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.104 -0.447 6.274 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.784 -0.885 -2.686 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.300 -0.612 -4.028 1.00 0.00 C ATOM 1315 C LEU A 84 -3.252 0.363 -4.722 1.00 0.00 C ATOM 1316 O LEU A 84 -2.813 1.281 -5.411 1.00 0.00 O ATOM 1317 CB LEU A 84 -2.089 -1.919 -4.798 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.841 -2.722 -4.426 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.980 -3.339 -3.034 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.530 -3.775 -5.492 1.00 0.00 C ATOM 0 H LEU A 84 -2.687 -1.855 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.323 -0.130 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.963 -2.552 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.044 -1.688 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 84 0.007 -2.038 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.079 -3.904 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.118 -2.548 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.842 -4.006 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.361 -4.332 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.373 -4.460 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.357 -3.283 -6.449 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.541 0.130 -4.515 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.560 0.977 -5.111 1.00 0.00 C ATOM 1334 C ALA A 85 -5.545 2.344 -4.426 1.00 0.00 C ATOM 1335 O ALA A 85 -5.504 3.376 -5.093 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.921 0.287 -5.008 1.00 0.00 C ATOM 0 H ALA A 85 -4.902 -0.633 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.356 1.137 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.686 0.922 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.887 -0.666 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.162 0.112 -3.959 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.580 2.308 -3.102 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.571 3.532 -2.319 1.00 0.00 C ATOM 1344 C VAL A 86 -4.431 4.431 -2.798 1.00 0.00 C ATOM 1345 O VAL A 86 -4.648 5.598 -3.118 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.484 3.198 -0.828 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.885 4.365 -0.040 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.855 2.809 -0.272 1.00 0.00 C ATOM 0 H VAL A 86 -5.615 1.450 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.500 4.083 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.821 2.340 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.834 4.102 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.882 4.577 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.512 5.248 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.765 2.577 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.550 3.638 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.229 1.934 -0.804 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.238 3.853 -2.833 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.063 4.587 -3.268 1.00 0.00 C ATOM 1360 C GLY A 87 -2.191 5.010 -4.733 1.00 0.00 C ATOM 1361 O GLY A 87 -2.029 6.186 -5.061 1.00 0.00 O ATOM 0 H GLY A 87 -3.061 2.884 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.928 5.469 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.175 3.967 -3.141 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.483 4.030 -5.576 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.636 4.287 -6.998 1.00 0.00 C ATOM 1367 C ASN A 88 -3.620 5.441 -7.201 1.00 0.00 C ATOM 1368 O ASN A 88 -3.326 6.392 -7.924 1.00 0.00 O ATOM 1369 CB ASN A 88 -3.192 3.059 -7.722 1.00 0.00 C ATOM 1370 CG ASN A 88 -2.066 2.241 -8.359 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -1.576 2.543 -9.434 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.684 1.193 -7.635 1.00 0.00 N ATOM 0 H ASN A 88 -2.618 3.057 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.655 4.532 -7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.745 2.437 -7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.897 3.374 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.938 0.585 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.137 0.997 -6.742 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.769 5.318 -6.551 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.798 6.339 -6.652 1.00 0.00 C ATOM 1381 C TYR A 89 -5.224 7.727 -6.355 1.00 0.00 C ATOM 1382 O TYR A 89 -5.487 8.681 -7.086 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.840 5.994 -5.587 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.682 7.186 -5.129 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.721 7.639 -5.915 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.401 7.808 -3.930 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.513 8.762 -5.484 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.193 8.931 -3.498 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.210 9.352 -4.297 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.958 10.414 -3.890 1.00 0.00 O ATOM 0 H TYR A 89 -5.009 4.527 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.219 6.362 -7.657 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.504 5.223 -5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.332 5.567 -4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.941 7.152 -6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.587 7.453 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.329 9.127 -6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.984 9.427 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.629 10.733 -3.024 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.452 7.795 -5.280 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.838 9.049 -4.878 1.00 0.00 C ATOM 1402 C ARG A 90 -3.070 9.664 -6.048 1.00 0.00 C ATOM 1403 O ARG A 90 -3.085 10.880 -6.236 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.884 8.843 -3.700 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.040 9.959 -2.665 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.381 11.252 -3.150 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.124 12.150 -2.001 1.00 0.00 N ATOM 1408 CZ ARG A 90 -1.936 13.472 -2.110 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.974 14.058 -3.314 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -1.709 14.208 -1.014 1.00 0.00 N ATOM 0 H ARG A 90 -4.238 7.002 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.636 9.724 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.081 7.878 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.856 8.818 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.098 10.136 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.591 9.650 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.445 11.024 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.026 11.750 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.088 11.737 -1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.146 13.498 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.831 15.065 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.679 13.762 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.566 15.215 -1.096 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.413 8.797 -6.805 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.639 9.239 -7.952 1.00 0.00 C ATOM 1426 C LEU A 91 -2.565 9.381 -9.162 1.00 0.00 C ATOM 1427 O LEU A 91 -2.102 9.609 -10.279 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.453 8.302 -8.192 1.00 0.00 C ATOM 1429 CG LEU A 91 0.386 7.954 -6.961 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.128 6.631 -7.160 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.339 9.098 -6.605 1.00 0.00 C ATOM 0 H LEU A 91 -2.401 7.790 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.206 10.221 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.829 7.375 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.201 8.758 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.288 7.821 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.717 6.407 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.407 5.831 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.790 6.711 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.923 8.825 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.010 9.287 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.763 9.998 -6.392 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.856 9.242 -8.899 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.850 9.352 -9.953 1.00 0.00 C ATOM 1445 C LYS A 92 -4.745 8.137 -10.877 1.00 0.00 C ATOM 1446 O LYS A 92 -5.187 8.184 -12.023 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.714 10.691 -10.680 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.856 11.862 -9.705 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.539 13.054 -10.376 1.00 0.00 C ATOM 1450 CE LYS A 92 -4.620 14.277 -10.391 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.200 14.592 -11.775 1.00 0.00 N ATOM 0 H LYS A 92 -4.237 9.054 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.855 9.345 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.745 10.742 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.475 10.766 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.435 11.548 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.872 12.159 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.817 12.791 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.461 13.294 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.137 15.133 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.743 14.088 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.577 15.425 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.688 13.780 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.039 14.793 -12.355 1.00 0.00 H new ATOM 1465 N GLU A 93 -4.157 7.076 -10.343 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.988 5.851 -11.105 1.00 0.00 C ATOM 1467 C GLU A 93 -5.265 5.011 -11.049 1.00 0.00 C ATOM 1468 O GLU A 93 -5.214 3.816 -10.763 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.784 5.053 -10.601 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.471 5.724 -11.009 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.092 5.359 -12.446 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.755 5.894 -13.361 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -0.148 4.553 -12.596 1.00 0.00 O ATOM 0 H GLU A 93 -3.792 7.040 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.796 6.116 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.830 4.966 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.820 4.041 -11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.568 6.806 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.675 5.417 -10.330 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.380 5.669 -11.329 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.669 4.998 -11.314 1.00 0.00 C ATOM 1482 C TYR A 94 -7.577 3.623 -11.978 1.00 0.00 C ATOM 1483 O TYR A 94 -7.906 2.609 -11.363 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.615 5.883 -12.129 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.650 7.343 -11.672 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.362 7.662 -10.361 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.970 8.340 -12.571 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -8.394 9.036 -9.930 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -9.003 9.714 -12.141 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.714 9.994 -10.842 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.746 11.291 -10.435 1.00 0.00 O ATOM 0 H TYR A 94 -6.418 6.660 -11.568 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.014 4.850 -10.291 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.316 5.848 -13.177 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.622 5.471 -12.071 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.112 6.881 -9.658 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.196 8.090 -13.597 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.169 9.300 -8.907 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.252 10.504 -12.834 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.508 11.746 -10.852 1.00 0.00 H new ATOM 1501 N GLU A 95 -7.131 3.631 -13.225 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.992 2.396 -13.979 1.00 0.00 C ATOM 1503 C GLU A 95 -6.479 1.275 -13.072 1.00 0.00 C ATOM 1504 O GLU A 95 -7.240 0.395 -12.677 1.00 0.00 O ATOM 1505 CB GLU A 95 -6.072 2.590 -15.185 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.763 3.411 -16.276 1.00 0.00 C ATOM 1507 CD GLU A 95 -7.891 2.611 -16.931 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -9.017 2.671 -16.390 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -7.603 1.960 -17.957 1.00 0.00 O ATOM 0 H GLU A 95 -6.861 4.473 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.974 2.111 -14.356 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.157 3.092 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.781 1.619 -15.585 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.165 4.329 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.034 3.705 -17.032 1.00 0.00 H new ATOM 1516 N LYS A 96 -5.191 1.346 -12.770 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.566 0.348 -11.918 1.00 0.00 C ATOM 1518 C LYS A 96 -5.402 0.174 -10.648 1.00 0.00 C ATOM 1519 O LYS A 96 -5.720 -0.949 -10.259 1.00 0.00 O ATOM 1520 CB LYS A 96 -3.105 0.712 -11.648 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.280 0.660 -12.936 1.00 0.00 C ATOM 1522 CD LYS A 96 -0.852 1.154 -12.691 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.044 1.158 -13.991 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.729 -0.096 -14.125 1.00 0.00 N ATOM 0 H LYS A 96 -4.563 2.079 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.541 -0.620 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.049 1.711 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.685 0.024 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.255 -0.361 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.755 1.273 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.878 2.160 -12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.363 0.514 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.715 1.271 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.633 2.012 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.271 -0.076 -15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.383 -0.188 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.077 -0.906 -14.136 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.734 1.301 -10.037 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.526 1.287 -8.819 1.00 0.00 C ATOM 1540 C ALA A 97 -7.703 0.325 -8.992 1.00 0.00 C ATOM 1541 O ALA A 97 -7.763 -0.711 -8.333 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.980 2.711 -8.489 1.00 0.00 C ATOM 0 H ALA A 97 -5.469 2.231 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.931 0.931 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.574 2.701 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.107 3.348 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.583 3.100 -9.310 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.609 0.704 -9.882 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.780 -0.113 -10.150 1.00 0.00 C ATOM 1550 C LEU A 98 -9.341 -1.549 -10.437 1.00 0.00 C ATOM 1551 O LEU A 98 -9.734 -2.476 -9.729 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.622 0.507 -11.267 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.953 1.129 -10.838 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.853 0.090 -10.166 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.725 2.352 -9.946 1.00 0.00 C ATOM 0 H LEU A 98 -8.556 1.565 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.428 -0.147 -9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.027 1.276 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.827 -0.263 -12.011 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.472 1.474 -11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.792 0.558 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.056 -0.722 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.353 -0.308 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.687 2.775 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.175 2.054 -9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.151 3.099 -10.493 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.532 -1.691 -11.477 1.00 0.00 N ATOM 1568 CA LYS A 99 -8.034 -2.999 -11.867 1.00 0.00 C ATOM 1569 C LYS A 99 -7.689 -3.802 -10.611 1.00 0.00 C ATOM 1570 O LYS A 99 -7.771 -5.030 -10.613 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.868 -2.858 -12.848 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.671 -4.145 -13.652 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.801 -5.143 -12.886 1.00 0.00 C ATOM 1574 CE LYS A 99 -6.253 -6.581 -13.149 1.00 0.00 C ATOM 1575 NZ LYS A 99 -5.107 -7.511 -13.050 1.00 0.00 N ATOM 0 H LYS A 99 -8.209 -0.920 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.803 -3.557 -12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.057 -2.026 -13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.955 -2.622 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.640 -4.594 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.206 -3.912 -14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.759 -5.026 -13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.853 -4.931 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.022 -6.864 -12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.702 -6.652 -14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.431 -8.482 -13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.386 -7.250 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.696 -7.456 -12.096 1.00 0.00 H new ATOM 1589 N TYR A 100 -7.307 -3.078 -9.569 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.948 -3.707 -8.310 1.00 0.00 C ATOM 1591 C TYR A 100 -8.152 -3.775 -7.368 1.00 0.00 C ATOM 1592 O TYR A 100 -8.338 -4.766 -6.663 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.874 -2.817 -7.684 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.462 -3.401 -7.754 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -4.263 -4.751 -7.547 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.387 -2.578 -8.024 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.934 -5.302 -7.613 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -2.058 -3.129 -8.089 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.897 -4.463 -7.881 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.641 -4.982 -7.943 1.00 0.00 O ATOM 0 H TYR A 100 -7.238 -2.060 -9.571 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.600 -4.726 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.881 -1.849 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.130 -2.636 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -5.104 -5.394 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.543 -1.522 -8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.765 -6.357 -7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.208 -2.497 -8.298 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.041 -4.336 -8.370 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.937 -2.708 -7.386 1.00 0.00 N ATOM 1611 CA VAL A 101 -10.118 -2.633 -6.542 1.00 0.00 C ATOM 1612 C VAL A 101 -11.173 -3.612 -7.061 1.00 0.00 C ATOM 1613 O VAL A 101 -12.025 -4.071 -6.301 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.621 -1.191 -6.474 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -12.107 -1.111 -6.832 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.356 -0.581 -5.096 1.00 0.00 C ATOM 0 H VAL A 101 -8.779 -1.888 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.877 -2.927 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.067 -0.609 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.439 -0.074 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.258 -1.486 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.683 -1.715 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.724 0.445 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.871 -1.166 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.285 -0.586 -4.896 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.082 -3.901 -8.350 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.019 -4.816 -8.979 1.00 0.00 C ATOM 1628 C ARG A 102 -11.709 -6.257 -8.571 1.00 0.00 C ATOM 1629 O ARG A 102 -12.576 -6.960 -8.054 1.00 0.00 O ATOM 1630 CB ARG A 102 -11.961 -4.702 -10.504 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.395 -3.310 -10.966 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.878 -3.073 -10.678 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.645 -3.056 -11.944 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.978 -3.158 -12.016 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.702 -3.285 -10.895 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.589 -3.133 -13.209 1.00 0.00 N ATOM 0 H ARG A 102 -10.374 -3.518 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.021 -4.547 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.947 -4.904 -10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.607 -5.456 -10.954 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.797 -2.552 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.207 -3.203 -12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.259 -3.857 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.008 -2.127 -10.152 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.125 -2.961 -12.816 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.237 -3.304 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.718 -3.363 -10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.038 -3.036 -14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.605 -3.211 -13.264 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.468 -6.655 -8.817 1.00 0.00 N ATOM 1651 CA GLY A 103 -10.033 -7.999 -8.481 1.00 0.00 C ATOM 1652 C GLY A 103 -10.145 -8.252 -6.976 1.00 0.00 C ATOM 1653 O GLY A 103 -10.331 -9.390 -6.546 1.00 0.00 O ATOM 0 H GLY A 103 -9.751 -6.069 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.638 -8.727 -9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.001 -8.142 -8.801 1.00 0.00 H new ATOM 1657 N LEU A 104 -10.028 -7.173 -6.217 1.00 0.00 N ATOM 1658 CA LEU A 104 -10.114 -7.264 -4.770 1.00 0.00 C ATOM 1659 C LEU A 104 -11.577 -7.445 -4.360 1.00 0.00 C ATOM 1660 O LEU A 104 -11.880 -8.215 -3.451 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.438 -6.057 -4.115 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.406 -6.053 -2.586 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.712 -5.500 -2.012 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.085 -7.446 -2.041 1.00 0.00 C ATOM 0 H LEU A 104 -9.874 -6.231 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.571 -8.138 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.413 -5.998 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.948 -5.154 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.605 -5.388 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.663 -5.508 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.859 -4.478 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.546 -6.120 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.068 -7.416 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.847 -8.151 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.110 -7.765 -2.410 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.445 -6.721 -5.051 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.869 -6.792 -4.771 1.00 0.00 C ATOM 1678 C LEU A 105 -14.409 -8.148 -5.235 1.00 0.00 C ATOM 1679 O LEU A 105 -15.358 -8.673 -4.656 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.598 -5.597 -5.389 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.813 -4.394 -4.468 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.214 -3.154 -5.270 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -15.827 -4.720 -3.370 1.00 0.00 C ATOM 0 H LEU A 105 -12.190 -6.082 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.049 -6.726 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.036 -5.265 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.571 -5.935 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.867 -4.166 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.361 -2.314 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.426 -2.911 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.141 -3.352 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.962 -3.849 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.781 -4.988 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.461 -5.556 -2.774 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.781 -8.674 -6.276 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.185 -9.958 -6.824 1.00 0.00 C ATOM 1697 C GLN A 106 -14.241 -11.014 -5.718 1.00 0.00 C ATOM 1698 O GLN A 106 -15.240 -11.717 -5.576 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.247 -10.393 -7.951 1.00 0.00 C ATOM 1700 CG GLN A 106 -14.032 -10.721 -9.222 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.869 -12.193 -9.604 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -14.443 -13.085 -8.999 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -13.057 -12.399 -10.636 1.00 0.00 N ATOM 0 H GLN A 106 -12.995 -8.234 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.183 -9.852 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.529 -9.600 -8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.676 -11.266 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -15.088 -10.496 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.686 -10.089 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.608 -11.608 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.883 -13.348 -10.966 1.00 0.00 H new ATOM 1712 N THR A 107 -13.155 -11.090 -4.962 1.00 0.00 N ATOM 1713 CA THR A 107 -13.068 -12.048 -3.872 1.00 0.00 C ATOM 1714 C THR A 107 -13.531 -11.409 -2.562 1.00 0.00 C ATOM 1715 O THR A 107 -13.615 -12.081 -1.535 1.00 0.00 O ATOM 1716 CB THR A 107 -11.632 -12.574 -3.819 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.649 -13.521 -2.755 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.636 -11.509 -3.356 1.00 0.00 C ATOM 0 H THR A 107 -12.329 -10.504 -5.083 1.00 0.00 H new ATOM 0 HA THR A 107 -13.734 -12.895 -4.036 1.00 0.00 H new ATOM 0 HB THR A 107 -11.341 -12.938 -4.804 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.329 -13.263 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.632 -11.934 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.659 -10.665 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.906 -11.168 -2.356 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.817 -10.118 -2.639 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.269 -9.380 -1.472 1.00 0.00 C ATOM 1728 C GLU A 108 -15.360 -8.382 -1.863 1.00 0.00 C ATOM 1729 O GLU A 108 -15.165 -7.172 -1.764 1.00 0.00 O ATOM 1730 CB GLU A 108 -13.100 -8.672 -0.785 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.941 -9.641 -0.537 1.00 0.00 C ATOM 1732 CD GLU A 108 -12.255 -10.584 0.626 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -13.353 -10.429 1.202 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.389 -11.438 0.914 1.00 0.00 O ATOM 0 H GLU A 108 -13.744 -9.564 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.692 -10.089 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.759 -7.842 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.433 -8.248 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.748 -10.222 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.033 -9.079 -0.319 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.516 -8.941 -2.313 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.638 -8.114 -2.721 1.00 0.00 C ATOM 1743 C PRO A 109 -18.356 -7.525 -1.504 1.00 0.00 C ATOM 1744 O PRO A 109 -19.067 -6.528 -1.620 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.525 -9.032 -3.546 1.00 0.00 C ATOM 1746 CG PRO A 109 -18.109 -10.448 -3.185 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.783 -10.370 -2.445 1.00 0.00 C ATOM 0 HA PRO A 109 -17.330 -7.248 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.578 -8.865 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.395 -8.846 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.867 -10.921 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -18.010 -11.057 -4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.845 -10.853 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.990 -10.872 -3.000 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.144 -8.166 -0.364 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.761 -7.719 0.873 1.00 0.00 C ATOM 1757 C GLN A 110 -17.957 -6.568 1.481 1.00 0.00 C ATOM 1758 O GLN A 110 -18.520 -5.691 2.134 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.900 -8.875 1.865 1.00 0.00 C ATOM 1760 CG GLN A 110 -19.413 -10.137 1.168 1.00 0.00 C ATOM 1761 CD GLN A 110 -20.532 -10.795 1.978 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -20.357 -11.193 3.118 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -21.689 -10.885 1.328 1.00 0.00 N ATOM 0 H GLN A 110 -17.553 -8.992 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.763 -7.356 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -17.935 -9.078 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.585 -8.593 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -19.780 -9.884 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -18.593 -10.842 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -21.767 -10.532 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -22.498 -11.307 1.783 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.654 -6.608 1.244 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.768 -5.579 1.761 1.00 0.00 C ATOM 1774 C ASN A 111 -16.256 -4.208 1.289 1.00 0.00 C ATOM 1775 O ASN A 111 -16.125 -3.869 0.114 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.339 -5.775 1.248 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.373 -4.811 1.938 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.690 -4.179 2.932 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.179 -4.735 1.358 1.00 0.00 N ATOM 0 H ASN A 111 -16.191 -7.337 0.701 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.773 -5.644 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.022 -6.803 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.310 -5.615 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.463 -4.120 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.979 -5.292 0.527 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.808 -3.457 2.230 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.315 -2.130 1.927 1.00 0.00 C ATOM 1788 C ASN A 112 -16.142 -1.195 1.626 1.00 0.00 C ATOM 1789 O ASN A 112 -16.221 -0.364 0.723 1.00 0.00 O ATOM 1790 CB ASN A 112 -18.089 -1.550 3.112 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.965 -2.619 3.770 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -20.071 -2.903 3.339 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -18.411 -3.192 4.834 1.00 0.00 N ATOM 0 H ASN A 112 -16.915 -3.742 3.203 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.981 -2.214 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.390 -1.146 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.712 -0.722 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -18.916 -3.917 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -17.481 -2.906 5.141 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.080 -1.363 2.400 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.892 -0.545 2.228 1.00 0.00 C ATOM 1802 C GLN A 113 -13.578 -0.370 0.741 1.00 0.00 C ATOM 1803 O GLN A 113 -13.159 0.705 0.314 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.699 -1.148 2.973 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.770 -0.835 4.469 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.945 -1.837 5.279 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.886 -1.530 5.799 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -12.487 -3.048 5.355 1.00 0.00 N ATOM 0 H GLN A 113 -15.018 -2.054 3.148 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.087 0.438 2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.681 -2.228 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.771 -0.754 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.402 0.175 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.808 -0.861 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.378 -3.238 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.012 -3.788 5.873 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.794 -1.442 -0.006 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.540 -1.420 -1.437 1.00 0.00 C ATOM 1819 C ALA A 114 -14.699 -0.718 -2.146 1.00 0.00 C ATOM 1820 O ALA A 114 -14.482 0.157 -2.983 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.328 -2.850 -1.940 1.00 0.00 C ATOM 0 H ALA A 114 -14.142 -2.331 0.352 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.632 -0.859 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.138 -2.834 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.475 -3.294 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.221 -3.443 -1.739 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.906 -1.128 -1.785 1.00 0.00 N ATOM 1828 CA LYS A 115 -17.102 -0.548 -2.376 1.00 0.00 C ATOM 1829 C LYS A 115 -16.904 0.960 -2.540 1.00 0.00 C ATOM 1830 O LYS A 115 -16.887 1.469 -3.660 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.339 -0.922 -1.557 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.930 -2.250 -2.032 1.00 0.00 C ATOM 1833 CD LYS A 115 -20.341 -2.453 -1.475 1.00 0.00 C ATOM 1834 CE LYS A 115 -21.193 -3.289 -2.431 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.535 -3.528 -1.856 1.00 0.00 N ATOM 0 H LYS A 115 -16.082 -1.854 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.273 -0.957 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.073 -0.995 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.088 -0.135 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.959 -2.270 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.288 -3.072 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.285 -2.947 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.814 -1.485 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.287 -2.775 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.701 -4.241 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.100 -4.097 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.441 -4.038 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.009 -2.617 -1.691 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.762 1.632 -1.407 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.567 3.072 -1.412 1.00 0.00 C ATOM 1851 C GLU A 116 -15.495 3.460 -2.434 1.00 0.00 C ATOM 1852 O GLU A 116 -15.759 4.237 -3.350 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.203 3.580 -0.016 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.439 4.110 0.715 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.321 5.614 0.973 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.179 6.061 1.214 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -18.376 6.282 0.921 1.00 0.00 O ATOM 0 H GLU A 116 -16.778 1.206 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.505 3.545 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.752 2.773 0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.457 4.370 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.331 3.908 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.560 3.583 1.662 1.00 0.00 H new ATOM 1864 N LEU A 117 -14.309 2.901 -2.241 1.00 0.00 N ATOM 1865 CA LEU A 117 -13.198 3.178 -3.134 1.00 0.00 C ATOM 1866 C LEU A 117 -13.713 3.267 -4.571 1.00 0.00 C ATOM 1867 O LEU A 117 -13.589 4.306 -5.217 1.00 0.00 O ATOM 1868 CB LEU A 117 -12.086 2.145 -2.941 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.734 2.691 -2.477 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.609 1.698 -2.774 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.460 4.067 -3.089 1.00 0.00 C ATOM 0 H LEU A 117 -14.094 2.258 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.750 4.143 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.426 1.407 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.938 1.619 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.771 2.820 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.660 2.112 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.804 0.761 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.561 1.513 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.493 4.433 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.450 3.986 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.241 4.763 -2.784 1.00 0.00 H new ATOM 1883 N GLU A 118 -14.282 2.162 -5.032 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.817 2.101 -6.381 1.00 0.00 C ATOM 1885 C GLU A 118 -15.478 3.431 -6.749 1.00 0.00 C ATOM 1886 O GLU A 118 -15.093 4.069 -7.728 1.00 0.00 O ATOM 1887 CB GLU A 118 -15.802 0.940 -6.529 1.00 0.00 C ATOM 1888 CG GLU A 118 -16.107 0.665 -8.003 1.00 0.00 C ATOM 1889 CD GLU A 118 -17.349 1.435 -8.459 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -18.392 1.275 -7.790 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.225 2.166 -9.465 1.00 0.00 O ATOM 0 H GLU A 118 -14.384 1.301 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.992 1.923 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.387 0.045 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.726 1.173 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.252 0.952 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -16.262 -0.403 -8.153 1.00 0.00 H new ATOM 1898 N ARG A 119 -16.462 3.809 -5.946 1.00 0.00 N ATOM 1899 CA ARG A 119 -17.180 5.051 -6.177 1.00 0.00 C ATOM 1900 C ARG A 119 -16.238 6.246 -6.019 1.00 0.00 C ATOM 1901 O ARG A 119 -16.294 7.193 -6.801 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.349 5.199 -5.200 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.629 4.595 -5.781 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.830 5.509 -5.530 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.241 6.161 -6.794 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.198 7.096 -6.880 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.846 7.495 -5.777 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.505 7.632 -8.069 1.00 0.00 N ATOM 0 H ARG A 119 -16.779 3.277 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.571 5.025 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -18.105 4.707 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.509 6.254 -4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.506 4.436 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.811 3.618 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -21.659 4.930 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.574 6.265 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.767 5.882 -7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.611 7.087 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.574 8.206 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.011 7.329 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.233 8.343 -8.135 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.393 6.162 -5.002 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.439 7.225 -4.732 1.00 0.00 C ATOM 1924 C LEU A 120 -13.619 7.501 -5.993 1.00 0.00 C ATOM 1925 O LEU A 120 -13.552 8.638 -6.458 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.588 6.883 -3.507 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.338 6.770 -2.179 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.536 5.956 -1.162 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.711 8.153 -1.640 1.00 0.00 C ATOM 0 H LEU A 120 -15.349 5.375 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.960 8.149 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.079 5.938 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.816 7.645 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.269 6.232 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -14.093 5.892 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.365 4.953 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.578 6.443 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.243 8.044 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.805 8.738 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.351 8.664 -2.360 1.00 0.00 H new ATOM 1941 N ILE A 121 -13.016 6.441 -6.512 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.202 6.556 -7.711 1.00 0.00 C ATOM 1943 C ILE A 121 -13.103 6.883 -8.903 1.00 0.00 C ATOM 1944 O ILE A 121 -12.675 7.554 -9.842 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.357 5.295 -7.906 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.482 5.026 -6.680 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.531 5.382 -9.191 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.640 3.581 -6.201 1.00 0.00 C ATOM 0 H ILE A 121 -13.075 5.499 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.491 7.377 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 121 -12.031 4.445 -8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.438 5.220 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.754 5.711 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.940 4.474 -9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.198 5.491 -10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.866 6.244 -9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.008 3.416 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.681 3.398 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.344 2.899 -6.998 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.333 6.397 -8.827 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.296 6.630 -9.889 1.00 0.00 C ATOM 1962 C ASP A 122 -15.498 8.135 -10.067 1.00 0.00 C ATOM 1963 O ASP A 122 -15.482 8.640 -11.189 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.652 6.008 -9.547 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.625 5.893 -10.722 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.711 6.879 -11.486 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.261 4.823 -10.831 1.00 0.00 O ATOM 0 H ASP A 122 -14.685 5.843 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.910 6.176 -10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.485 5.013 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.121 6.603 -8.763 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.684 8.812 -8.943 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.888 10.251 -8.960 1.00 0.00 C ATOM 1974 C LYS A 123 -14.591 10.941 -9.385 1.00 0.00 C ATOM 1975 O LYS A 123 -14.609 11.851 -10.212 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.429 10.732 -7.612 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.897 10.337 -7.438 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.774 11.571 -7.215 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.668 12.065 -5.771 1.00 0.00 C ATOM 1980 NZ LYS A 123 -19.985 12.541 -5.289 1.00 0.00 N ATOM 0 H LYS A 123 -15.698 8.390 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.647 10.519 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.835 10.304 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.329 11.815 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.239 9.798 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.997 9.658 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.471 12.365 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -19.812 11.331 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.309 11.260 -5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.938 12.872 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.896 12.873 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.313 13.323 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.672 11.761 -5.330 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.495 10.481 -8.799 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.190 11.043 -9.106 1.00 0.00 C ATOM 1996 C ALA A 124 -12.007 11.097 -10.624 1.00 0.00 C ATOM 1997 O ALA A 124 -11.499 12.083 -11.157 1.00 0.00 O ATOM 1998 CB ALA A 124 -11.104 10.216 -8.417 1.00 0.00 C ATOM 0 H ALA A 124 -13.484 9.726 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.112 12.063 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.125 10.637 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.262 10.234 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.149 9.187 -8.774 1.00 0.00 H new ATOM 2004 N MET A 125 -12.433 10.027 -11.278 1.00 0.00 N ATOM 2005 CA MET A 125 -12.322 9.940 -12.724 1.00 0.00 C ATOM 2006 C MET A 125 -13.122 11.054 -13.403 1.00 0.00 C ATOM 2007 O MET A 125 -12.651 11.667 -14.359 1.00 0.00 O ATOM 2008 CB MET A 125 -12.840 8.579 -13.195 1.00 0.00 C ATOM 2009 CG MET A 125 -11.977 7.443 -12.643 1.00 0.00 C ATOM 2010 SD MET A 125 -11.247 6.523 -13.987 1.00 0.00 S ATOM 2011 CE MET A 125 -11.520 4.857 -13.407 1.00 0.00 C ATOM 0 H MET A 125 -12.856 9.212 -10.833 1.00 0.00 H new ATOM 0 HA MET A 125 -11.273 10.054 -12.997 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.872 8.447 -12.871 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.841 8.543 -14.284 1.00 0.00 H new ATOM 0 HG2 MET A 125 -11.194 7.848 -12.002 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.584 6.781 -12.026 1.00 0.00 H new ATOM 0 HE1 MET A 125 -10.651 4.243 -13.643 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.675 4.868 -12.328 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.401 4.441 -13.896 1.00 0.00 H new ATOM 2021 N LYS A 126 -14.318 11.281 -12.881 1.00 0.00 N ATOM 2022 CA LYS A 126 -15.189 12.311 -13.425 1.00 0.00 C ATOM 2023 C LYS A 126 -14.945 13.624 -12.678 1.00 0.00 C ATOM 2024 O LYS A 126 -15.831 14.476 -12.609 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.647 11.849 -13.398 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.115 11.433 -14.794 1.00 0.00 C ATOM 2027 CD LYS A 126 -18.160 12.409 -15.335 1.00 0.00 C ATOM 2028 CE LYS A 126 -17.583 13.258 -16.470 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.193 14.606 -16.470 1.00 0.00 N ATOM 0 H LYS A 126 -14.705 10.770 -12.088 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.957 12.492 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.754 11.011 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.280 12.653 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.262 11.396 -15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.536 10.428 -14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -19.027 11.856 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -18.507 13.058 -14.531 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -16.502 13.341 -16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.766 12.769 -17.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.791 15.169 -17.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.221 14.522 -16.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -17.996 15.076 -15.563 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.742 13.747 -12.137 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.372 14.942 -11.398 1.00 0.00 C ATOM 2045 C LYS A 127 -12.242 15.663 -12.136 1.00 0.00 C ATOM 2046 O LYS A 127 -12.435 16.761 -12.655 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.034 14.592 -9.948 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.296 14.566 -9.082 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.026 13.884 -7.739 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.843 14.533 -6.622 1.00 0.00 C ATOM 2051 NZ LYS A 127 -14.097 14.495 -5.344 1.00 0.00 N ATOM 0 H LYS A 127 -13.011 13.038 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.213 15.634 -11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.542 13.620 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.329 15.322 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.646 15.584 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.092 14.039 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.275 12.825 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.964 13.947 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.073 15.565 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.794 14.013 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -14.667 14.940 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.899 13.507 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.200 15.011 -5.450 1.00 0.00 H new