USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot 84:sc= -2.54! USER MOD Set 1.2: A 80 ASN : amide:sc= 0.529 K(o=-2,f=-0.98) USER MOD Set 2.1: A 69 TYR OH : rot 155:sc= 0.0996 USER MOD Set 2.2: A 75 THR OG1 : rot 22:sc= 1.21 USER MOD Single : A 22 HIS : no HE2:sc= 0.725 K(o=0.72,f=-5.5!) USER MOD Single : A 25 GLN : amide:sc= 0.99 K(o=0.99,f=-8.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.15) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0269) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0149 (180deg=-0.209) USER MOD Single : A 48 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.72! C(o=-2.7!,f=-8.5!) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.483 (180deg=-1.21!) USER MOD Single : A 73 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.51) USER MOD Single : A 76 ASN : amide:sc= -2.08! K(o=-2.1!,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 83 SER OG : rot 180:sc=0.000214 USER MOD Single : A 86 GLN : amide:sc= -3.23! C(o=-3.2!,f=-12!) USER MOD Single : A 88 THR OG1 : rot 12:sc= 0.575 USER MOD Single : A 93 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -0.0151 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.662 -11.445 -2.268 1.00 0.00 N ATOM 2 CA GLY A 15 3.767 -12.242 -2.850 1.00 0.00 C ATOM 3 C GLY A 15 5.055 -11.483 -2.778 1.00 0.00 C ATOM 4 O GLY A 15 5.754 -11.292 -3.781 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.864 -13.186 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.540 -12.487 -3.888 1.00 0.00 H new ATOM 8 N LEU A 16 5.383 -11.053 -1.608 1.00 0.00 N ATOM 9 CA LEU A 16 6.516 -10.244 -1.405 1.00 0.00 C ATOM 10 C LEU A 16 7.042 -10.404 -0.025 1.00 0.00 C ATOM 11 O LEU A 16 6.438 -11.088 0.796 1.00 0.00 O ATOM 12 CB LEU A 16 6.279 -8.755 -1.770 1.00 0.00 C ATOM 13 CG LEU A 16 4.990 -8.025 -1.357 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.641 -8.245 0.084 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.201 -6.545 -1.570 1.00 0.00 C ATOM 0 H LEU A 16 4.858 -11.261 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 16 7.280 -10.594 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.112 -8.189 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.354 -8.678 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 16 4.173 -8.418 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.723 -7.708 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.495 -9.310 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.451 -7.878 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.299 -6.004 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.037 -6.205 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.419 -6.356 -2.621 1.00 0.00 H new ATOM 27 N ARG A 17 8.133 -9.763 0.245 1.00 0.00 N ATOM 28 CA ARG A 17 8.736 -9.880 1.529 1.00 0.00 C ATOM 29 C ARG A 17 8.179 -8.810 2.432 1.00 0.00 C ATOM 30 O ARG A 17 8.112 -9.013 3.641 1.00 0.00 O ATOM 31 CB ARG A 17 10.235 -9.716 1.477 1.00 0.00 C ATOM 32 CG ARG A 17 10.957 -10.453 0.377 1.00 0.00 C ATOM 33 CD ARG A 17 12.449 -10.211 0.493 1.00 0.00 C ATOM 34 NE ARG A 17 12.732 -8.805 0.820 1.00 0.00 N ATOM 35 CZ ARG A 17 13.935 -8.266 0.982 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.041 -8.912 0.609 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.013 -7.047 1.482 1.00 0.00 N ATOM 0 H ARG A 17 8.624 -9.153 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 17 8.514 -10.879 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.458 -8.654 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.647 -10.041 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.746 -11.520 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.599 -10.116 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.867 -10.858 1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.938 -10.475 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 17 11.929 -8.186 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.973 -9.839 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.955 -8.479 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.162 -6.543 1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.924 -6.609 1.617 1.00 0.00 H new ATOM 51 N GLU A 18 7.802 -7.642 1.857 1.00 0.00 N ATOM 52 CA GLU A 18 7.233 -6.566 2.707 1.00 0.00 C ATOM 53 C GLU A 18 6.482 -5.449 1.977 1.00 0.00 C ATOM 54 O GLU A 18 6.810 -5.099 0.840 1.00 0.00 O ATOM 55 CB GLU A 18 8.269 -5.885 3.631 1.00 0.00 C ATOM 56 CG GLU A 18 9.607 -5.438 3.026 1.00 0.00 C ATOM 57 CD GLU A 18 10.659 -6.526 2.977 1.00 0.00 C ATOM 58 OE1 GLU A 18 11.056 -7.016 4.049 1.00 0.00 O ATOM 59 OE2 GLU A 18 11.162 -6.854 1.905 1.00 0.00 O ATOM 0 H GLU A 18 7.875 -7.426 0.863 1.00 0.00 H new ATOM 0 HA GLU A 18 6.509 -7.138 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.795 -5.008 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.488 -6.573 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.432 -5.072 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.994 -4.600 3.606 1.00 0.00 H new ATOM 66 N ILE A 19 5.453 -4.906 2.663 1.00 0.00 N ATOM 67 CA ILE A 19 4.769 -3.665 2.267 1.00 0.00 C ATOM 68 C ILE A 19 4.670 -2.711 3.459 1.00 0.00 C ATOM 69 O ILE A 19 4.339 -3.103 4.589 1.00 0.00 O ATOM 70 CB ILE A 19 3.348 -3.917 1.638 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.397 -3.943 0.112 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.252 -2.948 2.140 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.468 -2.587 -0.544 1.00 0.00 C ATOM 0 H ILE A 19 5.074 -5.323 3.513 1.00 0.00 H new ATOM 0 HA ILE A 19 5.375 -3.207 1.485 1.00 0.00 H new ATOM 0 HB ILE A 19 3.057 -4.906 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.263 -4.527 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.513 -4.463 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.304 -3.189 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.146 -3.047 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.533 -1.923 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.499 -2.708 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.589 -2.003 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.367 -2.068 -0.211 1.00 0.00 H new ATOM 85 N ARG A 20 5.008 -1.498 3.210 1.00 0.00 N ATOM 86 CA ARG A 20 4.879 -0.425 4.154 1.00 0.00 C ATOM 87 C ARG A 20 4.178 0.717 3.484 1.00 0.00 C ATOM 88 O ARG A 20 4.682 1.273 2.524 1.00 0.00 O ATOM 89 CB ARG A 20 6.231 0.098 4.689 1.00 0.00 C ATOM 90 CG ARG A 20 6.906 -0.715 5.785 1.00 0.00 C ATOM 91 CD ARG A 20 7.550 -1.978 5.297 1.00 0.00 C ATOM 92 NE ARG A 20 8.166 -2.708 6.407 1.00 0.00 N ATOM 93 CZ ARG A 20 9.318 -3.369 6.342 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.152 -3.149 5.337 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.680 -4.152 7.334 1.00 0.00 N ATOM 0 H ARG A 20 5.397 -1.205 2.314 1.00 0.00 H new ATOM 0 HA ARG A 20 4.322 -0.820 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.921 0.171 3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.077 1.110 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.662 -0.097 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.166 -0.966 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.805 -2.607 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.305 -1.741 4.548 1.00 0.00 H new ATOM 0 HE ARG A 20 7.673 -2.710 7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.911 -2.472 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.036 -3.656 5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.078 -4.251 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.563 -4.660 7.287 1.00 0.00 H new ATOM 109 N ILE A 21 3.031 1.067 3.941 1.00 0.00 N ATOM 110 CA ILE A 21 2.383 2.218 3.376 1.00 0.00 C ATOM 111 C ILE A 21 3.000 3.384 4.042 1.00 0.00 C ATOM 112 O ILE A 21 3.140 3.371 5.226 1.00 0.00 O ATOM 113 CB ILE A 21 0.918 2.363 3.741 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.314 1.096 4.336 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.131 2.845 2.523 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.008 1.357 5.014 1.00 0.00 C ATOM 0 H ILE A 21 2.522 0.593 4.687 1.00 0.00 H new ATOM 0 HA ILE A 21 2.480 2.135 2.294 1.00 0.00 H new ATOM 0 HB ILE A 21 0.851 3.110 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.176 0.357 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.011 0.667 5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.921 2.948 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.520 3.810 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.232 2.121 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.398 0.424 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.867 2.075 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.715 1.760 4.289 1.00 0.00 H new ATOM 128 N HIS A 22 3.365 4.352 3.336 1.00 0.00 N ATOM 129 CA HIS A 22 3.825 5.548 3.976 1.00 0.00 C ATOM 130 C HIS A 22 2.627 6.454 3.937 1.00 0.00 C ATOM 131 O HIS A 22 2.175 6.791 2.835 1.00 0.00 O ATOM 132 CB HIS A 22 4.985 6.203 3.197 1.00 0.00 C ATOM 133 CG HIS A 22 6.257 5.411 3.045 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.317 5.840 2.262 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.639 4.223 3.570 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.281 4.946 2.321 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.895 3.960 3.104 1.00 0.00 N ATOM 0 H HIS A 22 3.366 4.370 2.316 1.00 0.00 H new ATOM 0 HA HIS A 22 4.202 5.350 4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.622 6.451 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.232 7.144 3.689 1.00 0.00 H new ATOM 0 HD1 HIS A 22 7.345 6.708 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.058 3.600 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.231 5.010 1.812 1.00 0.00 H new ATOM 146 N LEU A 23 2.121 6.867 5.080 1.00 0.00 N ATOM 147 CA LEU A 23 0.879 7.615 5.100 1.00 0.00 C ATOM 148 C LEU A 23 1.070 9.105 5.498 1.00 0.00 C ATOM 149 O LEU A 23 1.960 9.780 4.958 1.00 0.00 O ATOM 150 CB LEU A 23 -0.165 6.883 5.990 1.00 0.00 C ATOM 151 CG LEU A 23 -1.609 7.433 5.960 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.166 7.441 4.544 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.502 6.641 6.894 1.00 0.00 C ATOM 0 H LEU A 23 2.541 6.702 5.995 1.00 0.00 H new ATOM 0 HA LEU A 23 0.494 7.650 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.193 5.836 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.188 6.910 7.021 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.584 8.465 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.183 7.833 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.541 8.071 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.173 6.425 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.514 7.044 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.516 5.596 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.119 6.713 7.912 1.00 0.00 H new ATOM 165 N CYS A 24 0.268 9.551 6.479 1.00 0.00 N ATOM 166 CA CYS A 24 0.097 10.946 6.917 1.00 0.00 C ATOM 167 C CYS A 24 -0.744 11.732 5.926 1.00 0.00 C ATOM 168 O CYS A 24 -0.208 12.382 5.017 1.00 0.00 O ATOM 169 CB CYS A 24 1.394 11.711 7.188 1.00 0.00 C ATOM 170 SG CYS A 24 2.473 11.073 8.506 1.00 0.00 S ATOM 0 H CYS A 24 -0.312 8.909 7.019 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.412 10.859 7.877 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.970 11.738 6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.134 12.741 7.432 1.00 0.00 H new ATOM 175 N GLN A 25 -2.060 11.607 6.043 1.00 0.00 N ATOM 176 CA GLN A 25 -2.962 12.403 5.258 1.00 0.00 C ATOM 177 C GLN A 25 -2.871 13.846 5.719 1.00 0.00 C ATOM 178 O GLN A 25 -3.304 14.205 6.822 1.00 0.00 O ATOM 179 CB GLN A 25 -4.439 11.861 5.210 1.00 0.00 C ATOM 180 CG GLN A 25 -5.197 11.649 6.545 1.00 0.00 C ATOM 181 CD GLN A 25 -4.788 10.397 7.329 1.00 0.00 C ATOM 182 OE1 GLN A 25 -3.653 9.951 7.280 1.00 0.00 O ATOM 183 NE2 GLN A 25 -5.712 9.815 8.035 1.00 0.00 N ATOM 0 H GLN A 25 -2.517 10.955 6.681 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.644 12.337 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.025 12.551 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.424 10.907 4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.040 12.523 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.265 11.595 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.654 10.205 8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.494 8.969 8.562 1.00 0.00 H new ATOM 192 N ARG A 26 -2.257 14.644 4.893 1.00 0.00 N ATOM 193 CA ARG A 26 -1.906 16.003 5.210 1.00 0.00 C ATOM 194 C ARG A 26 -1.599 16.721 3.920 1.00 0.00 C ATOM 195 O ARG A 26 -2.104 17.802 3.673 1.00 0.00 O ATOM 196 CB ARG A 26 -0.678 15.974 6.175 1.00 0.00 C ATOM 197 CG ARG A 26 -0.087 17.311 6.676 1.00 0.00 C ATOM 198 CD ARG A 26 0.755 18.019 5.625 1.00 0.00 C ATOM 199 NE ARG A 26 1.608 19.072 6.196 1.00 0.00 N ATOM 200 CZ ARG A 26 2.178 20.052 5.489 1.00 0.00 C ATOM 201 NH1 ARG A 26 1.792 20.285 4.235 1.00 0.00 N ATOM 202 NH2 ARG A 26 3.108 20.825 6.045 1.00 0.00 N ATOM 0 H ARG A 26 -1.978 14.361 3.954 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.718 16.533 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.962 15.391 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.121 15.428 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.900 17.968 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.525 17.124 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.381 17.288 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.098 18.457 4.874 1.00 0.00 H new ATOM 0 HE ARG A 26 1.776 19.053 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.060 19.715 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.229 21.034 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.388 20.670 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.541 21.572 5.502 1.00 0.00 H new ATOM 216 N SER A 27 -0.783 16.107 3.102 1.00 0.00 N ATOM 217 CA SER A 27 -0.387 16.674 1.842 1.00 0.00 C ATOM 218 C SER A 27 -1.457 16.292 0.742 1.00 0.00 C ATOM 219 O SER A 27 -2.603 16.076 1.125 1.00 0.00 O ATOM 220 CB SER A 27 1.002 16.136 1.589 1.00 0.00 C ATOM 221 OG SER A 27 1.850 16.407 2.708 1.00 0.00 O ATOM 0 H SER A 27 -0.373 15.193 3.294 1.00 0.00 H new ATOM 0 HA SER A 27 -0.351 17.763 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.956 15.062 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.418 16.591 0.690 1.00 0.00 H new ATOM 0 HG SER A 27 2.746 16.052 2.533 1.00 0.00 H new ATOM 227 N PRO A 28 -1.154 16.340 -0.625 1.00 0.00 N ATOM 228 CA PRO A 28 -2.077 15.879 -1.692 1.00 0.00 C ATOM 229 C PRO A 28 -3.001 14.703 -1.286 1.00 0.00 C ATOM 230 O PRO A 28 -2.568 13.536 -1.195 1.00 0.00 O ATOM 231 CB PRO A 28 -1.101 15.466 -2.788 1.00 0.00 C ATOM 232 CG PRO A 28 -0.023 16.494 -2.705 1.00 0.00 C ATOM 233 CD PRO A 28 0.050 16.942 -1.257 1.00 0.00 C ATOM 0 HA PRO A 28 -2.792 16.652 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.711 14.462 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.577 15.463 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.931 16.079 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.243 17.338 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.966 16.595 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.040 18.029 -1.176 1.00 0.00 H new ATOM 241 N GLY A 29 -4.261 15.051 -1.039 1.00 0.00 N ATOM 242 CA GLY A 29 -5.263 14.128 -0.527 1.00 0.00 C ATOM 243 C GLY A 29 -5.517 12.925 -1.402 1.00 0.00 C ATOM 244 O GLY A 29 -5.560 13.027 -2.633 1.00 0.00 O ATOM 0 H GLY A 29 -4.617 15.995 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.950 13.784 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.200 14.668 -0.394 1.00 0.00 H new ATOM 248 N SER A 30 -5.703 11.785 -0.769 1.00 0.00 N ATOM 249 CA SER A 30 -5.934 10.544 -1.450 1.00 0.00 C ATOM 250 C SER A 30 -6.990 9.730 -0.716 1.00 0.00 C ATOM 251 O SER A 30 -6.785 9.212 0.408 1.00 0.00 O ATOM 252 CB SER A 30 -4.658 9.765 -1.580 1.00 0.00 C ATOM 253 OG SER A 30 -3.652 10.551 -2.175 1.00 0.00 O ATOM 0 H SER A 30 -5.696 11.702 0.248 1.00 0.00 H new ATOM 0 HA SER A 30 -6.300 10.762 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.330 9.429 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.831 8.872 -2.180 1.00 0.00 H new ATOM 0 HG SER A 30 -3.218 11.100 -1.489 1.00 0.00 H new ATOM 259 N GLN A 31 -8.055 9.542 -1.388 1.00 0.00 N ATOM 260 CA GLN A 31 -9.236 8.969 -0.812 1.00 0.00 C ATOM 261 C GLN A 31 -9.201 7.503 -1.025 1.00 0.00 C ATOM 262 O GLN A 31 -9.693 6.740 -0.212 1.00 0.00 O ATOM 263 CB GLN A 31 -10.479 9.622 -1.416 1.00 0.00 C ATOM 264 CG GLN A 31 -10.587 9.461 -2.926 1.00 0.00 C ATOM 265 CD GLN A 31 -11.604 10.378 -3.543 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.595 10.755 -2.910 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.367 10.752 -4.768 1.00 0.00 N ATOM 0 H GLN A 31 -8.148 9.782 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.275 9.154 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.366 9.193 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.474 10.685 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.613 9.652 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.849 8.429 -3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.535 10.415 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.014 11.382 -5.243 1.00 0.00 H new ATOM 276 N GLY A 32 -8.556 7.119 -2.112 1.00 0.00 N ATOM 277 CA GLY A 32 -8.337 5.754 -2.386 1.00 0.00 C ATOM 278 C GLY A 32 -7.427 5.184 -1.363 1.00 0.00 C ATOM 279 O GLY A 32 -7.629 4.054 -0.897 1.00 0.00 O ATOM 0 H GLY A 32 -8.180 7.759 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.285 5.215 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.904 5.636 -3.379 1.00 0.00 H new ATOM 283 N VAL A 33 -6.450 6.002 -0.925 1.00 0.00 N ATOM 284 CA VAL A 33 -5.543 5.495 0.078 1.00 0.00 C ATOM 285 C VAL A 33 -6.289 5.397 1.385 1.00 0.00 C ATOM 286 O VAL A 33 -6.317 4.358 1.952 1.00 0.00 O ATOM 287 CB VAL A 33 -4.160 6.249 0.234 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.241 7.580 0.963 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.127 5.344 0.890 1.00 0.00 C ATOM 0 H VAL A 33 -6.286 6.959 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.222 4.513 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.849 6.493 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.247 8.023 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.906 8.252 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.628 7.421 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.183 5.881 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.479 5.046 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.977 4.457 0.275 1.00 0.00 H new ATOM 299 N ARG A 34 -6.930 6.506 1.810 1.00 0.00 N ATOM 300 CA ARG A 34 -7.798 6.561 3.002 1.00 0.00 C ATOM 301 C ARG A 34 -8.683 5.354 3.090 1.00 0.00 C ATOM 302 O ARG A 34 -8.631 4.631 4.040 1.00 0.00 O ATOM 303 CB ARG A 34 -8.718 7.762 2.956 1.00 0.00 C ATOM 304 CG ARG A 34 -9.527 7.921 4.241 1.00 0.00 C ATOM 305 CD ARG A 34 -10.479 9.087 4.196 1.00 0.00 C ATOM 306 NE ARG A 34 -11.338 9.112 5.390 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.917 10.202 5.901 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.659 11.410 5.394 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.751 10.083 6.925 1.00 0.00 N ATOM 0 H ARG A 34 -6.857 7.401 1.326 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.127 6.615 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.128 8.663 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.399 7.663 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.090 7.006 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.844 8.049 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.916 10.018 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.097 9.022 3.300 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.505 8.226 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.015 11.507 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.106 12.236 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.947 9.163 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.196 10.912 7.319 1.00 0.00 H new ATOM 323 N ASP A 35 -9.482 5.157 2.082 1.00 0.00 N ATOM 324 CA ASP A 35 -10.400 4.014 2.038 1.00 0.00 C ATOM 325 C ASP A 35 -9.679 2.710 2.183 1.00 0.00 C ATOM 326 O ASP A 35 -10.154 1.824 2.868 1.00 0.00 O ATOM 327 CB ASP A 35 -11.261 4.008 0.798 1.00 0.00 C ATOM 328 CG ASP A 35 -12.487 4.878 0.887 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.274 4.728 1.844 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.726 5.710 -0.038 1.00 0.00 O ATOM 0 H ASP A 35 -9.530 5.767 1.266 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.063 4.132 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.659 4.336 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.572 2.984 0.591 1.00 0.00 H new ATOM 335 N PHE A 36 -8.551 2.588 1.557 1.00 0.00 N ATOM 336 CA PHE A 36 -7.704 1.442 1.768 1.00 0.00 C ATOM 337 C PHE A 36 -7.299 1.364 3.258 1.00 0.00 C ATOM 338 O PHE A 36 -7.632 0.426 3.932 1.00 0.00 O ATOM 339 CB PHE A 36 -6.530 1.482 0.742 1.00 0.00 C ATOM 340 CG PHE A 36 -5.149 1.031 1.163 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.376 1.837 1.971 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.581 -0.137 0.662 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.092 1.482 2.287 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.288 -0.471 0.960 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.543 0.335 1.774 1.00 0.00 C ATOM 0 H PHE A 36 -8.188 3.269 0.890 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.224 0.504 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.824 0.873 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.443 2.509 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.787 2.757 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.168 -0.787 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.508 2.109 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.856 -1.373 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.524 0.069 2.013 1.00 0.00 H new ATOM 355 N ILE A 37 -6.763 2.435 3.752 1.00 0.00 N ATOM 356 CA ILE A 37 -6.254 2.586 5.151 1.00 0.00 C ATOM 357 C ILE A 37 -7.386 2.258 6.182 1.00 0.00 C ATOM 358 O ILE A 37 -7.169 1.683 7.244 1.00 0.00 O ATOM 359 CB ILE A 37 -5.896 4.094 5.475 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.996 4.845 4.472 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.366 4.277 6.887 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.670 4.241 4.189 1.00 0.00 C ATOM 0 H ILE A 37 -6.646 3.284 3.199 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.391 1.924 5.225 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.871 4.570 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.537 4.936 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.837 5.856 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.136 5.329 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.120 3.950 7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.461 3.683 7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.134 4.861 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.095 4.176 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.806 3.242 3.775 1.00 0.00 H new ATOM 374 N GLU A 38 -8.568 2.610 5.803 1.00 0.00 N ATOM 375 CA GLU A 38 -9.696 2.734 6.688 1.00 0.00 C ATOM 376 C GLU A 38 -10.647 1.581 6.548 1.00 0.00 C ATOM 377 O GLU A 38 -10.844 0.804 7.477 1.00 0.00 O ATOM 378 CB GLU A 38 -10.376 4.057 6.354 1.00 0.00 C ATOM 379 CG GLU A 38 -11.583 4.430 7.147 1.00 0.00 C ATOM 380 CD GLU A 38 -12.101 5.769 6.706 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.434 6.803 6.964 1.00 0.00 O ATOM 382 OE2 GLU A 38 -13.175 5.823 6.082 1.00 0.00 O ATOM 0 H GLU A 38 -8.792 2.830 4.832 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.365 2.719 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.639 4.852 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.659 4.034 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.357 3.673 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.335 4.460 8.208 1.00 0.00 H new ATOM 389 N LYS A 39 -11.190 1.451 5.371 1.00 0.00 N ATOM 390 CA LYS A 39 -12.179 0.457 5.081 1.00 0.00 C ATOM 391 C LYS A 39 -11.500 -0.849 4.789 1.00 0.00 C ATOM 392 O LYS A 39 -12.092 -1.926 4.947 1.00 0.00 O ATOM 393 CB LYS A 39 -12.964 0.853 3.818 1.00 0.00 C ATOM 394 CG LYS A 39 -14.168 -0.042 3.539 1.00 0.00 C ATOM 395 CD LYS A 39 -14.725 0.111 2.126 1.00 0.00 C ATOM 396 CE LYS A 39 -13.753 -0.423 1.074 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.391 -0.547 -0.251 1.00 0.00 N ATOM 0 H LYS A 39 -10.953 2.043 4.575 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.847 0.371 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.304 1.883 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.293 0.823 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.883 -1.082 3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.955 0.186 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.673 -0.421 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.933 1.163 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.893 0.243 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.376 -1.396 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.833 -1.193 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.354 -0.924 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.436 0.388 -0.703 1.00 0.00 H new ATOM 411 N ARG A 40 -10.264 -0.785 4.360 1.00 0.00 N ATOM 412 CA ARG A 40 -9.678 -1.949 3.873 1.00 0.00 C ATOM 413 C ARG A 40 -8.573 -2.490 4.732 1.00 0.00 C ATOM 414 O ARG A 40 -8.460 -3.617 4.778 1.00 0.00 O ATOM 415 CB ARG A 40 -9.218 -1.731 2.447 1.00 0.00 C ATOM 416 CG ARG A 40 -8.691 -2.951 1.751 1.00 0.00 C ATOM 417 CD ARG A 40 -9.727 -4.027 1.667 1.00 0.00 C ATOM 418 NE ARG A 40 -9.415 -4.982 0.632 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.185 -5.155 -0.433 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.355 -4.507 -0.519 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.799 -5.959 -1.400 1.00 0.00 N ATOM 0 H ARG A 40 -9.679 0.051 4.348 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.448 -2.720 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.053 -1.336 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.440 -0.968 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.361 -2.684 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.818 -3.326 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.799 -4.539 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.702 -3.581 1.470 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.570 -5.546 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.649 -3.884 0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.951 -4.637 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.907 -6.449 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.391 -6.092 -2.220 1.00 0.00 H new ATOM 435 N TYR A 41 -7.844 -1.670 5.473 1.00 0.00 N ATOM 436 CA TYR A 41 -6.556 -2.113 6.188 1.00 0.00 C ATOM 437 C TYR A 41 -6.532 -3.578 6.700 1.00 0.00 C ATOM 438 O TYR A 41 -5.696 -4.384 6.274 1.00 0.00 O ATOM 439 CB TYR A 41 -6.300 -1.206 7.372 1.00 0.00 C ATOM 440 CG TYR A 41 -4.993 -1.431 8.102 1.00 0.00 C ATOM 441 CD1 TYR A 41 -3.821 -0.818 7.689 1.00 0.00 C ATOM 442 CD2 TYR A 41 -4.945 -2.257 9.219 1.00 0.00 C ATOM 443 CE1 TYR A 41 -2.640 -1.024 8.369 1.00 0.00 C ATOM 444 CE2 TYR A 41 -3.779 -2.473 9.899 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.623 -1.854 9.474 1.00 0.00 C ATOM 446 OH TYR A 41 -1.450 -2.054 10.155 1.00 0.00 O ATOM 0 H TYR A 41 -8.082 -0.690 5.623 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.784 -2.046 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.329 -0.172 7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.117 -1.328 8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.833 -0.171 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.850 -2.739 9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.733 -0.539 8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.764 -3.123 10.762 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.608 -2.663 10.907 1.00 0.00 H new ATOM 456 N VAL A 42 -7.398 -3.903 7.581 1.00 0.00 N ATOM 457 CA VAL A 42 -7.427 -5.232 8.137 1.00 0.00 C ATOM 458 C VAL A 42 -7.895 -6.271 7.084 1.00 0.00 C ATOM 459 O VAL A 42 -7.347 -7.381 6.984 1.00 0.00 O ATOM 460 CB VAL A 42 -8.222 -5.240 9.463 1.00 0.00 C ATOM 461 CG1 VAL A 42 -9.447 -4.368 9.346 1.00 0.00 C ATOM 462 CG2 VAL A 42 -8.581 -6.648 9.894 1.00 0.00 C ATOM 0 H VAL A 42 -8.111 -3.272 7.947 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.417 -5.546 8.400 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.582 -4.826 10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.996 -4.384 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.145 -3.345 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.086 -4.744 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.139 -6.611 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.193 -7.119 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.669 -7.228 10.038 1.00 0.00 H new ATOM 472 N GLU A 43 -8.821 -5.862 6.239 1.00 0.00 N ATOM 473 CA GLU A 43 -9.253 -6.675 5.117 1.00 0.00 C ATOM 474 C GLU A 43 -8.165 -6.681 4.028 1.00 0.00 C ATOM 475 O GLU A 43 -8.136 -7.536 3.204 1.00 0.00 O ATOM 476 CB GLU A 43 -10.607 -6.182 4.563 1.00 0.00 C ATOM 477 CG GLU A 43 -11.168 -7.033 3.431 1.00 0.00 C ATOM 478 CD GLU A 43 -12.538 -6.606 2.998 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.661 -5.711 2.143 1.00 0.00 O ATOM 480 OE2 GLU A 43 -13.528 -7.175 3.497 1.00 0.00 O ATOM 0 H GLU A 43 -9.294 -4.961 6.309 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.402 -7.699 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.332 -6.157 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.490 -5.158 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.492 -6.983 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.202 -8.075 3.750 1.00 0.00 H new ATOM 487 N LEU A 44 -7.261 -5.732 4.074 1.00 0.00 N ATOM 488 CA LEU A 44 -6.172 -5.655 3.166 1.00 0.00 C ATOM 489 C LEU A 44 -5.188 -6.719 3.530 1.00 0.00 C ATOM 490 O LEU A 44 -4.697 -7.443 2.671 1.00 0.00 O ATOM 491 CB LEU A 44 -5.593 -4.248 3.290 1.00 0.00 C ATOM 492 CG LEU A 44 -4.210 -3.974 2.785 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.136 -4.063 1.314 1.00 0.00 C ATOM 494 CD2 LEU A 44 -3.713 -2.654 3.319 1.00 0.00 C ATOM 0 H LEU A 44 -7.274 -4.981 4.764 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.463 -5.822 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.271 -3.569 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.615 -3.977 4.346 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.542 -4.750 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.116 -3.858 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.424 -5.065 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.813 -3.332 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.707 -2.466 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.378 -1.855 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.695 -2.686 4.408 1.00 0.00 H new ATOM 506 N LYS A 45 -4.953 -6.844 4.811 1.00 0.00 N ATOM 507 CA LYS A 45 -4.062 -7.849 5.307 1.00 0.00 C ATOM 508 C LYS A 45 -4.672 -9.239 5.106 1.00 0.00 C ATOM 509 O LYS A 45 -3.975 -10.191 4.776 1.00 0.00 O ATOM 510 CB LYS A 45 -3.725 -7.585 6.787 1.00 0.00 C ATOM 511 CG LYS A 45 -2.739 -8.569 7.420 1.00 0.00 C ATOM 512 CD LYS A 45 -2.474 -8.208 8.877 1.00 0.00 C ATOM 513 CE LYS A 45 -1.525 -9.193 9.563 1.00 0.00 C ATOM 514 NZ LYS A 45 -0.176 -9.210 8.956 1.00 0.00 N ATOM 0 H LYS A 45 -5.372 -6.255 5.531 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.129 -7.809 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.315 -6.579 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.651 -7.604 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.138 -9.581 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.802 -8.561 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.050 -7.205 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.419 -8.182 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.440 -8.933 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.952 -10.195 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.447 -9.830 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.239 -9.566 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.213 -8.246 8.948 1.00 0.00 H new ATOM 528 N LYS A 46 -5.979 -9.346 5.281 1.00 0.00 N ATOM 529 CA LYS A 46 -6.650 -10.632 5.139 1.00 0.00 C ATOM 530 C LYS A 46 -6.890 -10.980 3.668 1.00 0.00 C ATOM 531 O LYS A 46 -7.028 -12.157 3.323 1.00 0.00 O ATOM 532 CB LYS A 46 -7.994 -10.633 5.886 1.00 0.00 C ATOM 533 CG LYS A 46 -9.149 -10.039 5.091 1.00 0.00 C ATOM 534 CD LYS A 46 -10.272 -9.550 6.004 1.00 0.00 C ATOM 535 CE LYS A 46 -11.003 -10.675 6.694 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.713 -11.536 5.732 1.00 0.00 N ATOM 0 H LYS A 46 -6.593 -8.567 5.519 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.993 -11.385 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.245 -11.658 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.881 -10.074 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.785 -9.209 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.540 -10.788 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.856 -8.880 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.983 -8.968 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.293 -11.275 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.716 -10.262 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.374 -12.156 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.242 -10.944 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.025 -12.117 5.213 1.00 0.00 H new ATOM 550 N ALA A 47 -6.962 -9.981 2.788 1.00 0.00 N ATOM 551 CA ALA A 47 -7.297 -10.292 1.430 1.00 0.00 C ATOM 552 C ALA A 47 -6.058 -10.634 0.618 1.00 0.00 C ATOM 553 O ALA A 47 -6.145 -11.203 -0.477 1.00 0.00 O ATOM 554 CB ALA A 47 -8.071 -9.175 0.753 1.00 0.00 C ATOM 0 H ALA A 47 -6.798 -8.995 2.993 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.945 -11.167 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.300 -9.461 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.999 -8.995 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.470 -8.266 0.751 1.00 0.00 H new ATOM 560 N ASN A 48 -4.911 -10.311 1.171 1.00 0.00 N ATOM 561 CA ASN A 48 -3.632 -10.436 0.522 1.00 0.00 C ATOM 562 C ASN A 48 -2.737 -11.119 1.549 1.00 0.00 C ATOM 563 O ASN A 48 -2.062 -10.474 2.334 1.00 0.00 O ATOM 564 CB ASN A 48 -3.042 -9.037 0.111 1.00 0.00 C ATOM 565 CG ASN A 48 -3.919 -8.192 -0.878 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.116 -8.366 -0.970 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.335 -7.210 -1.569 1.00 0.00 N ATOM 0 H ASN A 48 -4.844 -9.941 2.119 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.711 -11.003 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.881 -8.451 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.064 -9.195 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.895 -6.608 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.329 -7.062 -1.493 1.00 0.00 H new ATOM 574 N PRO A 49 -2.826 -12.445 1.599 1.00 0.00 N ATOM 575 CA PRO A 49 -2.175 -13.301 2.616 1.00 0.00 C ATOM 576 C PRO A 49 -0.709 -13.069 2.729 1.00 0.00 C ATOM 577 O PRO A 49 -0.189 -12.732 3.800 1.00 0.00 O ATOM 578 CB PRO A 49 -2.451 -14.723 2.114 1.00 0.00 C ATOM 579 CG PRO A 49 -2.825 -14.522 0.694 1.00 0.00 C ATOM 580 CD PRO A 49 -3.583 -13.239 0.665 1.00 0.00 C ATOM 0 HA PRO A 49 -2.563 -13.095 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.572 -15.361 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.254 -15.199 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.941 -14.471 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.435 -15.348 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.603 -12.795 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.619 -13.366 0.978 1.00 0.00 H new ATOM 588 N ASP A 50 -0.055 -13.214 1.635 1.00 0.00 N ATOM 589 CA ASP A 50 1.396 -13.004 1.573 1.00 0.00 C ATOM 590 C ASP A 50 1.700 -11.520 1.335 1.00 0.00 C ATOM 591 O ASP A 50 2.512 -11.138 0.476 1.00 0.00 O ATOM 592 CB ASP A 50 2.057 -13.884 0.492 1.00 0.00 C ATOM 593 CG ASP A 50 3.586 -13.905 0.602 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.123 -14.680 1.428 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.272 -13.184 -0.139 1.00 0.00 O ATOM 0 H ASP A 50 -0.481 -13.479 0.747 1.00 0.00 H new ATOM 0 HA ASP A 50 1.822 -13.303 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.677 -14.902 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.772 -13.517 -0.494 1.00 0.00 H new ATOM 600 N LEU A 51 1.012 -10.678 2.045 1.00 0.00 N ATOM 601 CA LEU A 51 1.286 -9.302 1.986 1.00 0.00 C ATOM 602 C LEU A 51 1.558 -8.728 3.394 1.00 0.00 C ATOM 603 O LEU A 51 0.624 -8.536 4.174 1.00 0.00 O ATOM 604 CB LEU A 51 0.141 -8.539 1.294 1.00 0.00 C ATOM 605 CG LEU A 51 0.269 -7.023 1.297 1.00 0.00 C ATOM 606 CD1 LEU A 51 1.574 -6.632 0.710 1.00 0.00 C ATOM 607 CD2 LEU A 51 -0.859 -6.366 0.531 1.00 0.00 C ATOM 0 H LEU A 51 0.252 -10.938 2.674 1.00 0.00 H new ATOM 0 HA LEU A 51 2.188 -9.168 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.074 -8.879 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.797 -8.808 1.779 1.00 0.00 H new ATOM 0 HG LEU A 51 0.211 -6.681 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.664 -5.546 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.382 -7.064 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.636 -6.998 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.733 -5.284 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.845 -6.710 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.812 -6.631 0.988 1.00 0.00 H new ATOM 619 N PRO A 52 2.850 -8.601 3.784 1.00 0.00 N ATOM 620 CA PRO A 52 3.253 -7.837 4.972 1.00 0.00 C ATOM 621 C PRO A 52 2.752 -6.434 4.901 1.00 0.00 C ATOM 622 O PRO A 52 3.039 -5.734 3.943 1.00 0.00 O ATOM 623 CB PRO A 52 4.736 -7.753 4.838 1.00 0.00 C ATOM 624 CG PRO A 52 5.122 -8.975 4.123 1.00 0.00 C ATOM 625 CD PRO A 52 3.993 -9.288 3.186 1.00 0.00 C ATOM 0 HA PRO A 52 2.882 -8.298 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.033 -6.862 4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.218 -7.698 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.053 -8.828 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.289 -9.797 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.196 -8.926 2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.821 -10.362 3.110 1.00 0.00 H new ATOM 633 N ILE A 53 2.103 -6.002 5.924 1.00 0.00 N ATOM 634 CA ILE A 53 1.445 -4.706 5.908 1.00 0.00 C ATOM 635 C ILE A 53 1.772 -3.903 7.142 1.00 0.00 C ATOM 636 O ILE A 53 1.328 -4.216 8.259 1.00 0.00 O ATOM 637 CB ILE A 53 -0.098 -4.856 5.711 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.350 -5.469 4.340 1.00 0.00 C ATOM 639 CG2 ILE A 53 -0.840 -3.513 5.845 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.767 -5.808 4.055 1.00 0.00 C ATOM 0 H ILE A 53 2.003 -6.518 6.798 1.00 0.00 H new ATOM 0 HA ILE A 53 1.832 -4.152 5.052 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.487 -5.503 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.002 -4.774 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.250 -6.374 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.909 -3.672 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.666 -3.099 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.471 -2.817 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.844 -6.238 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.123 -6.530 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.375 -4.905 4.109 1.00 0.00 H new ATOM 652 N LEU A 54 2.610 -2.927 6.952 1.00 0.00 N ATOM 653 CA LEU A 54 2.984 -2.017 7.994 1.00 0.00 C ATOM 654 C LEU A 54 2.518 -0.632 7.595 1.00 0.00 C ATOM 655 O LEU A 54 2.564 -0.275 6.408 1.00 0.00 O ATOM 656 CB LEU A 54 4.516 -2.019 8.243 1.00 0.00 C ATOM 657 CG LEU A 54 5.181 -3.339 8.728 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.489 -3.905 9.953 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.298 -4.385 7.617 1.00 0.00 C ATOM 0 H LEU A 54 3.059 -2.738 6.056 1.00 0.00 H new ATOM 0 HA LEU A 54 2.514 -2.329 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.004 -1.722 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.734 -1.246 8.980 1.00 0.00 H new ATOM 0 HG LEU A 54 6.198 -3.077 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.985 -4.826 10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.538 -3.180 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.446 -4.116 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.769 -5.285 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.304 -4.630 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.904 -3.986 6.804 1.00 0.00 H new ATOM 671 N ILE A 55 2.080 0.138 8.546 1.00 0.00 N ATOM 672 CA ILE A 55 1.553 1.447 8.282 1.00 0.00 C ATOM 673 C ILE A 55 2.615 2.486 8.763 1.00 0.00 C ATOM 674 O ILE A 55 2.832 2.707 9.952 1.00 0.00 O ATOM 675 CB ILE A 55 0.097 1.591 8.942 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.770 2.744 8.359 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.108 1.629 10.466 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.234 4.134 8.533 1.00 0.00 C ATOM 0 H ILE A 55 2.077 -0.124 9.532 1.00 0.00 H new ATOM 0 HA ILE A 55 1.388 1.631 7.220 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.393 0.663 8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.909 2.562 7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.756 2.698 8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.913 1.728 10.835 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.545 0.707 10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.700 2.479 10.804 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.925 4.849 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.124 4.351 9.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.737 4.214 8.044 1.00 0.00 H new ATOM 690 N ARG A 56 3.312 3.038 7.808 1.00 0.00 N ATOM 691 CA ARG A 56 4.440 3.936 8.024 1.00 0.00 C ATOM 692 C ARG A 56 4.072 5.391 7.920 1.00 0.00 C ATOM 693 O ARG A 56 2.946 5.763 7.553 1.00 0.00 O ATOM 694 CB ARG A 56 5.603 3.616 7.092 1.00 0.00 C ATOM 695 CG ARG A 56 6.288 2.309 7.423 1.00 0.00 C ATOM 696 CD ARG A 56 7.024 2.400 8.748 1.00 0.00 C ATOM 697 NE ARG A 56 8.162 3.332 8.671 1.00 0.00 N ATOM 698 CZ ARG A 56 8.534 4.199 9.619 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.770 4.407 10.679 1.00 0.00 N ATOM 700 NH2 ARG A 56 9.647 4.898 9.465 1.00 0.00 N ATOM 0 H ARG A 56 3.113 2.877 6.821 1.00 0.00 H new ATOM 0 HA ARG A 56 4.757 3.761 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.238 3.578 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.333 4.424 7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.550 1.508 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.990 2.051 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.335 2.729 9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.381 1.411 9.036 1.00 0.00 H new ATOM 0 HE ARG A 56 8.718 3.315 7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.888 3.904 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.063 5.070 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.215 4.774 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.937 5.561 10.184 1.00 0.00 H new ATOM 714 N GLU A 57 5.025 6.196 8.240 1.00 0.00 N ATOM 715 CA GLU A 57 4.865 7.608 8.365 1.00 0.00 C ATOM 716 C GLU A 57 5.155 8.341 7.027 1.00 0.00 C ATOM 717 O GLU A 57 5.613 7.748 6.045 1.00 0.00 O ATOM 718 CB GLU A 57 5.781 8.087 9.506 1.00 0.00 C ATOM 719 CG GLU A 57 5.598 9.524 9.937 1.00 0.00 C ATOM 720 CD GLU A 57 6.456 9.876 11.102 1.00 0.00 C ATOM 721 OE1 GLU A 57 7.628 10.270 10.902 1.00 0.00 O ATOM 722 OE2 GLU A 57 5.983 9.758 12.243 1.00 0.00 O ATOM 0 H GLU A 57 5.976 5.879 8.430 1.00 0.00 H new ATOM 0 HA GLU A 57 3.829 7.847 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.618 7.444 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.817 7.949 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.833 10.184 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.552 9.694 10.194 1.00 0.00 H new ATOM 729 N CYS A 58 4.792 9.593 7.000 1.00 0.00 N ATOM 730 CA CYS A 58 4.996 10.511 5.907 1.00 0.00 C ATOM 731 C CYS A 58 6.467 10.739 5.611 1.00 0.00 C ATOM 732 O CYS A 58 7.192 11.316 6.420 1.00 0.00 O ATOM 733 CB CYS A 58 4.329 11.822 6.283 1.00 0.00 C ATOM 734 SG CYS A 58 4.197 12.060 8.094 1.00 0.00 S ATOM 0 H CYS A 58 4.316 10.030 7.789 1.00 0.00 H new ATOM 0 HA CYS A 58 4.562 10.089 5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.895 12.648 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.332 11.856 5.843 1.00 0.00 H new ATOM 739 N SER A 59 6.914 10.237 4.486 1.00 0.00 N ATOM 740 CA SER A 59 8.271 10.438 4.056 1.00 0.00 C ATOM 741 C SER A 59 8.303 11.070 2.650 1.00 0.00 C ATOM 742 O SER A 59 9.326 11.615 2.225 1.00 0.00 O ATOM 743 CB SER A 59 8.974 9.079 4.041 1.00 0.00 C ATOM 744 OG SER A 59 8.748 8.392 5.272 1.00 0.00 O ATOM 0 H SER A 59 6.348 9.680 3.846 1.00 0.00 H new ATOM 0 HA SER A 59 8.780 11.117 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.605 8.480 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.044 9.217 3.884 1.00 0.00 H new ATOM 0 HG SER A 59 9.201 7.523 5.250 1.00 0.00 H new ATOM 750 N ASP A 60 7.152 11.060 1.953 1.00 0.00 N ATOM 751 CA ASP A 60 7.079 11.458 0.560 1.00 0.00 C ATOM 752 C ASP A 60 5.715 12.120 0.445 1.00 0.00 C ATOM 753 O ASP A 60 5.107 12.301 1.489 1.00 0.00 O ATOM 754 CB ASP A 60 7.126 10.209 -0.356 1.00 0.00 C ATOM 755 CG ASP A 60 7.974 9.047 0.162 1.00 0.00 C ATOM 756 OD1 ASP A 60 7.431 8.205 0.958 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.158 8.940 -0.195 1.00 0.00 O ATOM 0 H ASP A 60 6.257 10.775 2.350 1.00 0.00 H new ATOM 0 HA ASP A 60 7.902 12.108 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.107 9.853 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.509 10.509 -1.332 1.00 0.00 H new ATOM 762 N VAL A 61 5.178 12.341 -0.786 1.00 0.00 N ATOM 763 CA VAL A 61 3.891 13.098 -1.026 1.00 0.00 C ATOM 764 C VAL A 61 2.814 12.880 0.059 1.00 0.00 C ATOM 765 O VAL A 61 2.529 13.775 0.814 1.00 0.00 O ATOM 766 CB VAL A 61 3.280 12.801 -2.449 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.862 13.352 -2.584 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.129 13.422 -3.530 1.00 0.00 C ATOM 0 H VAL A 61 5.614 12.006 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 61 4.186 14.146 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 61 3.255 11.717 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.477 13.126 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.220 12.891 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.876 14.432 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.692 13.206 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.173 14.501 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.136 13.008 -3.485 1.00 0.00 H new ATOM 778 N GLN A 62 2.315 11.671 0.172 1.00 0.00 N ATOM 779 CA GLN A 62 1.208 11.350 1.115 1.00 0.00 C ATOM 780 C GLN A 62 0.840 9.847 1.113 1.00 0.00 C ATOM 781 O GLN A 62 1.024 9.194 2.110 1.00 0.00 O ATOM 782 CB GLN A 62 -0.078 12.173 0.922 1.00 0.00 C ATOM 783 CG GLN A 62 -1.068 11.830 2.017 1.00 0.00 C ATOM 784 CD GLN A 62 -2.392 12.485 1.895 1.00 0.00 C ATOM 785 OE1 GLN A 62 -2.589 13.572 2.381 1.00 0.00 O ATOM 786 NE2 GLN A 62 -3.327 11.804 1.324 1.00 0.00 N ATOM 0 H GLN A 62 2.644 10.872 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 62 1.628 11.631 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.152 13.238 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.513 11.963 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.214 10.750 2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.632 12.103 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.120 10.888 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.273 12.181 1.272 1.00 0.00 H new ATOM 795 N PRO A 63 0.370 9.264 -0.008 1.00 0.00 N ATOM 796 CA PRO A 63 -0.068 7.875 -0.043 1.00 0.00 C ATOM 797 C PRO A 63 0.938 6.978 -0.755 1.00 0.00 C ATOM 798 O PRO A 63 0.715 6.580 -1.872 1.00 0.00 O ATOM 799 CB PRO A 63 -1.312 8.010 -0.910 1.00 0.00 C ATOM 800 CG PRO A 63 -0.992 9.121 -1.883 1.00 0.00 C ATOM 801 CD PRO A 63 0.185 9.877 -1.333 1.00 0.00 C ATOM 0 HA PRO A 63 -0.208 7.433 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.532 7.079 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.188 8.252 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.760 8.714 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.850 9.783 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.069 9.762 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.018 10.946 -1.261 1.00 0.00 H new ATOM 809 N LYS A 64 2.018 6.651 -0.135 1.00 0.00 N ATOM 810 CA LYS A 64 3.064 5.943 -0.877 1.00 0.00 C ATOM 811 C LYS A 64 3.039 4.494 -0.555 1.00 0.00 C ATOM 812 O LYS A 64 2.797 4.106 0.589 1.00 0.00 O ATOM 813 CB LYS A 64 4.484 6.469 -0.571 1.00 0.00 C ATOM 814 CG LYS A 64 4.782 7.925 -0.907 1.00 0.00 C ATOM 815 CD LYS A 64 4.015 8.924 -0.050 1.00 0.00 C ATOM 816 CE LYS A 64 4.401 8.823 1.442 1.00 0.00 C ATOM 817 NZ LYS A 64 3.640 9.728 2.364 1.00 0.00 N ATOM 0 H LYS A 64 2.220 6.842 0.846 1.00 0.00 H new ATOM 0 HA LYS A 64 2.849 6.117 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.675 6.323 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.197 5.846 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.851 8.104 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.544 8.102 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.212 9.935 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.945 8.750 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.256 7.793 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.464 9.042 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.119 9.766 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.598 10.684 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.674 9.363 2.490 1.00 0.00 H new ATOM 831 N LEU A 65 3.348 3.718 -1.535 1.00 0.00 N ATOM 832 CA LEU A 65 3.344 2.311 -1.404 1.00 0.00 C ATOM 833 C LEU A 65 4.749 1.842 -1.322 1.00 0.00 C ATOM 834 O LEU A 65 5.428 1.851 -2.327 1.00 0.00 O ATOM 835 CB LEU A 65 2.750 1.739 -2.656 1.00 0.00 C ATOM 836 CG LEU A 65 2.179 0.323 -2.559 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.145 0.234 -1.445 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.569 -0.084 -3.888 1.00 0.00 C ATOM 0 H LEU A 65 3.614 4.052 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 65 2.783 2.009 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.954 2.405 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.517 1.745 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 65 2.991 -0.364 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.752 -0.781 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.612 0.491 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.330 0.929 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.165 -1.093 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.768 0.608 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.335 -0.059 -4.663 1.00 0.00 H new ATOM 850 N TRP A 66 5.227 1.520 -0.163 1.00 0.00 N ATOM 851 CA TRP A 66 6.533 0.957 -0.114 1.00 0.00 C ATOM 852 C TRP A 66 6.416 -0.547 -0.212 1.00 0.00 C ATOM 853 O TRP A 66 5.897 -1.187 0.687 1.00 0.00 O ATOM 854 CB TRP A 66 7.377 1.338 1.141 1.00 0.00 C ATOM 855 CG TRP A 66 8.600 0.442 1.290 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.769 -0.618 2.149 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.767 0.482 0.495 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.980 -1.222 1.907 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.605 -0.558 0.902 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.180 1.298 -0.513 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.830 -0.788 0.303 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.376 1.071 -1.101 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.184 0.051 -0.704 1.00 0.00 C ATOM 0 H TRP A 66 4.751 1.632 0.732 1.00 0.00 H new ATOM 0 HA TRP A 66 7.076 1.382 -0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.695 2.378 1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.757 1.259 2.034 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.058 -0.929 2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.348 -2.035 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.559 2.119 -0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.473 -1.595 0.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.698 1.715 -1.906 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.131 -0.095 -1.202 1.00 0.00 H new ATOM 874 N ALA A 67 6.896 -1.075 -1.265 1.00 0.00 N ATOM 875 CA ALA A 67 6.895 -2.459 -1.494 1.00 0.00 C ATOM 876 C ALA A 67 8.315 -2.940 -1.616 1.00 0.00 C ATOM 877 O ALA A 67 9.160 -2.252 -2.201 1.00 0.00 O ATOM 878 CB ALA A 67 6.134 -2.785 -2.765 1.00 0.00 C ATOM 0 H ALA A 67 7.317 -0.534 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 67 6.405 -2.959 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.143 -3.863 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.104 -2.441 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.608 -2.286 -3.611 1.00 0.00 H new ATOM 884 N ARG A 68 8.601 -4.062 -1.046 1.00 0.00 N ATOM 885 CA ARG A 68 9.825 -4.695 -1.244 1.00 0.00 C ATOM 886 C ARG A 68 9.469 -6.141 -1.443 1.00 0.00 C ATOM 887 O ARG A 68 9.165 -6.897 -0.515 1.00 0.00 O ATOM 888 CB ARG A 68 10.803 -4.505 -0.096 1.00 0.00 C ATOM 889 CG ARG A 68 12.210 -4.896 -0.487 1.00 0.00 C ATOM 890 CD ARG A 68 12.909 -3.780 -1.256 1.00 0.00 C ATOM 891 NE ARG A 68 13.956 -4.292 -2.155 1.00 0.00 N ATOM 892 CZ ARG A 68 15.171 -3.748 -2.326 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.630 -2.838 -1.479 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.945 -4.173 -3.319 1.00 0.00 N ATOM 0 H ARG A 68 7.967 -4.560 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 68 10.352 -4.268 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.791 -3.463 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.483 -5.104 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.784 -5.137 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.181 -5.798 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.172 -3.226 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.351 -3.077 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 68 13.740 -5.131 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.058 -2.544 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.555 -2.432 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.614 -4.908 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.870 -3.765 -3.456 1.00 0.00 H new ATOM 908 N TYR A 69 9.369 -6.459 -2.654 1.00 0.00 N ATOM 909 CA TYR A 69 8.913 -7.766 -3.100 1.00 0.00 C ATOM 910 C TYR A 69 9.994 -8.815 -2.891 1.00 0.00 C ATOM 911 O TYR A 69 11.138 -8.491 -2.638 1.00 0.00 O ATOM 912 CB TYR A 69 8.601 -7.737 -4.599 1.00 0.00 C ATOM 913 CG TYR A 69 7.749 -6.594 -5.068 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.399 -6.578 -4.843 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.308 -5.529 -5.756 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.625 -5.544 -5.277 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.533 -4.485 -6.201 1.00 0.00 C ATOM 918 CZ TYR A 69 6.184 -4.501 -5.956 1.00 0.00 C ATOM 919 OH TYR A 69 5.393 -3.477 -6.401 1.00 0.00 O ATOM 0 H TYR A 69 9.600 -5.824 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 69 8.024 -8.013 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.543 -7.711 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.103 -8.669 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.939 -7.399 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.371 -5.519 -5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.563 -5.550 -5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.981 -3.662 -6.737 1.00 0.00 H new ATOM 0 HH TYR A 69 5.931 -2.662 -6.487 1.00 0.00 H new ATOM 929 N ALA A 70 9.623 -10.079 -3.055 1.00 0.00 N ATOM 930 CA ALA A 70 10.595 -11.183 -3.021 1.00 0.00 C ATOM 931 C ALA A 70 11.110 -11.421 -4.408 1.00 0.00 C ATOM 932 O ALA A 70 11.924 -12.294 -4.655 1.00 0.00 O ATOM 933 CB ALA A 70 10.003 -12.434 -2.414 1.00 0.00 C ATOM 0 H ALA A 70 8.659 -10.372 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 70 11.429 -10.905 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.753 -13.225 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.685 -12.227 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.144 -12.753 -3.004 1.00 0.00 H new ATOM 939 N PHE A 71 10.623 -10.599 -5.310 1.00 0.00 N ATOM 940 CA PHE A 71 11.193 -10.473 -6.617 1.00 0.00 C ATOM 941 C PHE A 71 12.421 -9.576 -6.432 1.00 0.00 C ATOM 942 O PHE A 71 13.221 -9.355 -7.334 1.00 0.00 O ATOM 943 CB PHE A 71 10.174 -9.839 -7.572 1.00 0.00 C ATOM 944 CG PHE A 71 8.857 -10.573 -7.582 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.781 -11.878 -8.035 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.705 -9.965 -7.112 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.583 -12.561 -8.021 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.506 -10.643 -7.093 1.00 0.00 C ATOM 949 CZ PHE A 71 6.446 -11.942 -7.550 1.00 0.00 C ATOM 0 H PHE A 71 9.815 -9.998 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 71 11.468 -11.434 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.006 -8.802 -7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.586 -9.825 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.670 -12.368 -8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.747 -8.946 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.536 -13.579 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.616 -10.158 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.507 -12.475 -7.539 1.00 0.00 H new ATOM 959 N GLY A 72 12.495 -9.031 -5.206 1.00 0.00 N ATOM 960 CA GLY A 72 13.599 -8.276 -4.706 1.00 0.00 C ATOM 961 C GLY A 72 13.564 -6.832 -5.104 1.00 0.00 C ATOM 962 O GLY A 72 14.352 -6.024 -4.618 1.00 0.00 O ATOM 0 H GLY A 72 11.741 -9.123 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.613 -8.345 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.526 -8.722 -5.066 1.00 0.00 H new ATOM 966 N GLN A 73 12.626 -6.502 -5.954 1.00 0.00 N ATOM 967 CA GLN A 73 12.417 -5.144 -6.395 1.00 0.00 C ATOM 968 C GLN A 73 11.798 -4.307 -5.296 1.00 0.00 C ATOM 969 O GLN A 73 11.109 -4.840 -4.380 1.00 0.00 O ATOM 970 CB GLN A 73 11.524 -5.113 -7.625 1.00 0.00 C ATOM 971 CG GLN A 73 12.171 -5.662 -8.873 1.00 0.00 C ATOM 972 CD GLN A 73 11.218 -5.669 -10.036 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.537 -6.652 -10.282 1.00 0.00 O ATOM 974 NE2 GLN A 73 11.118 -4.565 -10.718 1.00 0.00 N ATOM 0 H GLN A 73 11.978 -7.174 -6.365 1.00 0.00 H new ATOM 0 HA GLN A 73 13.390 -4.724 -6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.619 -5.684 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.217 -4.084 -7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.046 -5.062 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.523 -6.676 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.705 -3.765 -10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.453 -4.500 -11.489 1.00 0.00 H new ATOM 983 N GLU A 74 12.029 -3.024 -5.370 1.00 0.00 N ATOM 984 CA GLU A 74 11.493 -2.112 -4.426 1.00 0.00 C ATOM 985 C GLU A 74 10.425 -1.276 -5.107 1.00 0.00 C ATOM 986 O GLU A 74 10.298 -1.286 -6.335 1.00 0.00 O ATOM 987 CB GLU A 74 12.582 -1.192 -3.818 1.00 0.00 C ATOM 988 CG GLU A 74 13.106 -0.075 -4.725 1.00 0.00 C ATOM 989 CD GLU A 74 13.894 -0.558 -5.917 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.298 -1.025 -6.899 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.134 -0.480 -5.899 1.00 0.00 O ATOM 0 H GLU A 74 12.599 -2.590 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 74 11.063 -2.683 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.180 -0.738 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.426 -1.813 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.261 0.516 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.735 0.591 -4.134 1.00 0.00 H new ATOM 998 N THR A 75 9.668 -0.609 -4.335 1.00 0.00 N ATOM 999 CA THR A 75 8.628 0.253 -4.778 1.00 0.00 C ATOM 1000 C THR A 75 8.305 1.174 -3.644 1.00 0.00 C ATOM 1001 O THR A 75 8.211 0.744 -2.556 1.00 0.00 O ATOM 1002 CB THR A 75 7.395 -0.597 -5.192 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.584 -1.163 -6.497 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.063 0.136 -5.091 1.00 0.00 C ATOM 0 H THR A 75 9.753 -0.644 -3.319 1.00 0.00 H new ATOM 0 HA THR A 75 8.929 0.836 -5.648 1.00 0.00 H new ATOM 0 HB THR A 75 7.330 -1.402 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.541 -1.194 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.257 -0.530 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.899 0.453 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.079 1.011 -5.741 1.00 0.00 H new ATOM 1012 N ASN A 76 8.259 2.416 -3.896 1.00 0.00 N ATOM 1013 CA ASN A 76 7.895 3.408 -2.897 1.00 0.00 C ATOM 1014 C ASN A 76 7.099 4.490 -3.563 1.00 0.00 C ATOM 1015 O ASN A 76 7.663 5.449 -4.088 1.00 0.00 O ATOM 1016 CB ASN A 76 9.142 3.959 -2.121 1.00 0.00 C ATOM 1017 CG ASN A 76 10.381 4.264 -2.996 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.532 5.362 -3.524 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.319 3.307 -3.098 1.00 0.00 N ATOM 0 H ASN A 76 8.472 2.811 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 76 7.277 2.938 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.852 4.871 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.425 3.233 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.176 3.486 -3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.174 2.401 -2.652 1.00 0.00 H new ATOM 1026 N VAL A 77 5.760 4.346 -3.603 1.00 0.00 N ATOM 1027 CA VAL A 77 5.054 5.309 -4.471 1.00 0.00 C ATOM 1028 C VAL A 77 3.638 5.730 -4.166 1.00 0.00 C ATOM 1029 O VAL A 77 2.775 4.917 -3.885 1.00 0.00 O ATOM 1030 CB VAL A 77 5.227 4.915 -5.922 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.764 3.486 -6.200 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.687 5.912 -6.946 1.00 0.00 C ATOM 0 H VAL A 77 5.196 3.656 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 77 5.563 6.240 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 77 6.306 4.947 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.910 3.255 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.344 2.791 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.707 3.391 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.863 5.531 -7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.617 6.049 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.196 6.868 -6.826 1.00 0.00 H new ATOM 1042 N PRO A 78 3.447 7.067 -4.193 1.00 0.00 N ATOM 1043 CA PRO A 78 2.172 7.734 -4.098 1.00 0.00 C ATOM 1044 C PRO A 78 1.182 7.166 -5.070 1.00 0.00 C ATOM 1045 O PRO A 78 1.253 7.355 -6.279 1.00 0.00 O ATOM 1046 CB PRO A 78 2.489 9.192 -4.422 1.00 0.00 C ATOM 1047 CG PRO A 78 3.899 9.338 -4.007 1.00 0.00 C ATOM 1048 CD PRO A 78 4.534 8.015 -4.316 1.00 0.00 C ATOM 0 HA PRO A 78 1.715 7.614 -3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.359 9.405 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.837 9.875 -3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.388 10.147 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.976 9.574 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.963 8.003 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.342 7.788 -3.621 1.00 0.00 H new ATOM 1056 N LEU A 79 0.289 6.457 -4.517 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.745 5.796 -5.201 1.00 0.00 C ATOM 1058 C LEU A 79 -2.015 6.683 -5.203 1.00 0.00 C ATOM 1059 O LEU A 79 -3.147 6.224 -5.324 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.882 4.401 -4.548 1.00 0.00 C ATOM 1061 CG LEU A 79 -1.054 4.290 -3.013 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.320 4.953 -2.521 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -1.069 2.828 -2.615 1.00 0.00 C ATOM 0 H LEU A 79 0.255 6.311 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.544 5.632 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.738 3.908 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.003 3.825 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.213 4.809 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.390 4.845 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.301 6.012 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.184 4.481 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.190 2.746 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.898 2.324 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.130 2.361 -2.911 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.732 7.988 -5.160 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.697 9.127 -5.106 1.00 0.00 C ATOM 1077 C ASN A 80 -3.807 9.041 -6.152 1.00 0.00 C ATOM 1078 O ASN A 80 -4.936 9.440 -5.913 1.00 0.00 O ATOM 1079 CB ASN A 80 -1.897 10.453 -5.288 1.00 0.00 C ATOM 1080 CG ASN A 80 -2.724 11.759 -5.329 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -2.359 12.704 -6.023 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.758 11.856 -4.562 1.00 0.00 N ATOM 0 H ASN A 80 -0.766 8.315 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.197 9.090 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.177 10.531 -4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.326 10.382 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.286 12.728 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.047 11.061 -3.992 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.484 8.466 -7.245 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.373 8.416 -8.414 1.00 0.00 C ATOM 1091 C ASN A 81 -5.308 7.219 -8.412 1.00 0.00 C ATOM 1092 O ASN A 81 -6.125 7.070 -9.328 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.544 8.401 -9.707 1.00 0.00 C ATOM 1094 CG ASN A 81 -2.798 9.694 -9.960 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -3.261 10.776 -9.594 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -1.645 9.608 -10.559 1.00 0.00 N ATOM 0 H ASN A 81 -2.588 8.000 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.993 9.311 -8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.828 7.580 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.204 8.201 -10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.099 10.451 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.288 8.698 -10.850 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.230 6.385 -7.403 1.00 0.00 N ATOM 1104 CA PHE A 82 -5.996 5.184 -7.393 1.00 0.00 C ATOM 1105 C PHE A 82 -7.084 5.228 -6.300 1.00 0.00 C ATOM 1106 O PHE A 82 -7.210 6.230 -5.577 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.056 3.985 -7.255 1.00 0.00 C ATOM 1108 CG PHE A 82 -3.983 3.926 -8.317 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.302 3.611 -9.629 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.663 4.201 -8.005 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.327 3.568 -10.604 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -1.683 4.160 -8.977 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.015 3.842 -10.278 1.00 0.00 C ATOM 0 H PHE A 82 -4.641 6.525 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.529 5.079 -8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.582 4.018 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.644 3.068 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.327 3.396 -9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.396 4.451 -6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.591 3.320 -11.622 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.657 4.377 -8.719 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.250 3.808 -11.039 1.00 0.00 H new ATOM 1123 N SER A 83 -7.836 4.152 -6.178 1.00 0.00 N ATOM 1124 CA SER A 83 -9.012 4.088 -5.289 1.00 0.00 C ATOM 1125 C SER A 83 -8.891 2.882 -4.319 1.00 0.00 C ATOM 1126 O SER A 83 -8.035 2.081 -4.499 1.00 0.00 O ATOM 1127 CB SER A 83 -10.275 3.979 -6.155 1.00 0.00 C ATOM 1128 OG SER A 83 -11.475 4.075 -5.396 1.00 0.00 O ATOM 0 H SER A 83 -7.660 3.287 -6.688 1.00 0.00 H new ATOM 0 HA SER A 83 -9.071 4.991 -4.681 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.263 4.767 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.263 3.029 -6.688 1.00 0.00 H new ATOM 0 HG SER A 83 -12.247 4.001 -5.995 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.801 2.771 -3.343 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.754 1.757 -2.233 1.00 0.00 C ATOM 1136 C ALA A 84 -9.533 0.288 -2.688 1.00 0.00 C ATOM 1137 O ALA A 84 -8.464 -0.329 -2.453 1.00 0.00 O ATOM 1138 CB ALA A 84 -11.081 1.795 -1.513 1.00 0.00 C ATOM 0 H ALA A 84 -10.613 3.385 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.899 2.031 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.075 1.068 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.246 2.793 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.881 1.552 -2.212 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.506 -0.249 -3.394 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.471 -1.651 -3.791 1.00 0.00 C ATOM 1146 C ASP A 85 -9.508 -1.840 -4.900 1.00 0.00 C ATOM 1147 O ASP A 85 -8.815 -2.856 -4.979 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.856 -2.193 -4.184 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.724 -2.569 -3.000 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.352 -1.678 -2.387 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.803 -3.780 -2.669 1.00 0.00 O ATOM 0 H ASP A 85 -11.333 0.259 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.146 -2.223 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.375 -1.441 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.726 -3.069 -4.820 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.415 -0.844 -5.725 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.533 -0.883 -6.837 1.00 0.00 C ATOM 1158 C GLN A 86 -7.071 -0.782 -6.399 1.00 0.00 C ATOM 1159 O GLN A 86 -6.248 -1.454 -6.984 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.995 0.100 -7.939 1.00 0.00 C ATOM 1161 CG GLN A 86 -8.126 0.164 -9.182 1.00 0.00 C ATOM 1162 CD GLN A 86 -6.934 1.029 -8.966 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -7.003 1.994 -8.216 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -5.852 0.707 -9.589 1.00 0.00 N ATOM 0 H GLN A 86 -9.952 0.019 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.581 -1.861 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.006 -0.173 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.050 1.099 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.804 -0.841 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.711 0.549 -10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.841 -0.106 -10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.007 1.266 -9.466 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.744 0.005 -5.356 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.384 -0.031 -4.830 1.00 0.00 C ATOM 1175 C VAL A 87 -5.125 -1.386 -4.285 1.00 0.00 C ATOM 1176 O VAL A 87 -4.165 -1.988 -4.643 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.967 1.068 -3.758 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.907 2.448 -4.332 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.827 1.067 -2.539 1.00 0.00 C ATOM 0 H VAL A 87 -7.381 0.646 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.759 0.219 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.961 0.777 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.617 3.154 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.173 2.475 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.887 2.722 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.485 1.841 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.861 1.264 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.764 0.095 -2.050 1.00 0.00 H new ATOM 1189 N THR A 88 -6.049 -1.926 -3.502 1.00 0.00 N ATOM 1190 CA THR A 88 -5.810 -3.230 -2.914 1.00 0.00 C ATOM 1191 C THR A 88 -5.665 -4.360 -3.937 1.00 0.00 C ATOM 1192 O THR A 88 -4.859 -5.300 -3.758 1.00 0.00 O ATOM 1193 CB THR A 88 -6.816 -3.542 -1.827 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.152 -3.362 -2.316 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.586 -2.601 -0.689 1.00 0.00 C ATOM 0 H THR A 88 -6.943 -1.495 -3.266 1.00 0.00 H new ATOM 0 HA THR A 88 -4.830 -3.170 -2.440 1.00 0.00 H new ATOM 0 HB THR A 88 -6.694 -4.577 -1.507 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.133 -3.260 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.302 -2.810 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.573 -2.731 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.715 -1.575 -1.034 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.350 -4.203 -5.027 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.330 -5.172 -6.099 1.00 0.00 C ATOM 1205 C ARG A 89 -5.083 -4.964 -6.929 1.00 0.00 C ATOM 1206 O ARG A 89 -4.404 -5.922 -7.274 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.594 -5.049 -6.955 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.652 -5.966 -8.166 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.620 -7.436 -7.794 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.755 -8.278 -8.988 1.00 0.00 N ATOM 1211 CZ ARG A 89 -7.507 -9.586 -9.056 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -7.010 -10.229 -8.017 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -7.741 -10.230 -10.193 1.00 0.00 N ATOM 0 H ARG A 89 -6.946 -3.395 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.313 -6.180 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.460 -5.251 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.682 -4.018 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.562 -5.759 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.812 -5.744 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.684 -7.667 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.426 -7.657 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.067 -7.821 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.812 -9.725 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.823 -11.230 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.106 -9.724 -11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.556 -11.231 -10.260 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.777 -3.710 -7.237 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.541 -3.379 -7.947 1.00 0.00 C ATOM 1229 C ALA A 90 -2.342 -3.766 -7.109 1.00 0.00 C ATOM 1230 O ALA A 90 -1.347 -4.176 -7.663 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.481 -1.910 -8.333 1.00 0.00 C ATOM 0 H ALA A 90 -5.362 -2.906 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.526 -3.951 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.547 -1.710 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.322 -1.670 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.532 -1.295 -7.434 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.446 -3.629 -5.762 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.414 -4.140 -4.860 1.00 0.00 C ATOM 1239 C LEU A 91 -1.267 -5.588 -5.081 1.00 0.00 C ATOM 1240 O LEU A 91 -0.220 -6.046 -5.384 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.679 -3.928 -3.341 1.00 0.00 C ATOM 1242 CG LEU A 91 -1.122 -2.650 -2.670 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.666 -1.373 -3.263 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.368 -2.696 -1.175 1.00 0.00 C ATOM 0 H LEU A 91 -3.229 -3.173 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.519 -3.566 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.758 -3.941 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.271 -4.787 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.049 -2.637 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.233 -0.518 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.408 -1.325 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.750 -1.353 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.972 -1.792 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.439 -2.762 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.870 -3.568 -0.751 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.343 -6.299 -4.980 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.308 -7.747 -5.114 1.00 0.00 C ATOM 1258 C GLU A 92 -1.706 -8.120 -6.465 1.00 0.00 C ATOM 1259 O GLU A 92 -0.820 -8.971 -6.537 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.725 -8.309 -4.857 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.898 -9.825 -4.791 1.00 0.00 C ATOM 1262 CD GLU A 92 -3.666 -10.507 -6.108 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -4.231 -10.062 -7.127 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.862 -11.466 -6.162 1.00 0.00 O ATOM 0 H GLU A 92 -3.270 -5.912 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.659 -8.207 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.083 -7.892 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.380 -7.933 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.206 -10.231 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.905 -10.054 -4.444 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.138 -7.441 -7.479 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.575 -7.575 -8.794 1.00 0.00 C ATOM 1273 C ASN A 93 -0.051 -7.371 -8.739 1.00 0.00 C ATOM 1274 O ASN A 93 0.730 -8.355 -8.903 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.260 -6.575 -9.746 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.558 -7.093 -10.375 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.899 -6.715 -11.501 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.287 -7.940 -9.682 1.00 0.00 N ATOM 0 H ASN A 93 -2.902 -6.767 -7.421 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.752 -8.580 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.476 -5.658 -9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.563 -6.313 -10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.157 -8.302 -10.072 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.982 -8.236 -8.755 1.00 0.00 H new ATOM 1285 N VAL A 94 0.368 -6.146 -8.373 1.00 0.00 N ATOM 1286 CA VAL A 94 1.778 -5.785 -8.304 1.00 0.00 C ATOM 1287 C VAL A 94 2.586 -6.668 -7.440 1.00 0.00 C ATOM 1288 O VAL A 94 3.640 -7.168 -7.862 1.00 0.00 O ATOM 1289 CB VAL A 94 2.101 -4.312 -7.918 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.736 -3.331 -9.005 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.513 -3.863 -6.592 1.00 0.00 C ATOM 0 H VAL A 94 -0.266 -5.388 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 94 2.061 -5.918 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 94 3.184 -4.311 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.983 -2.320 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.293 -3.568 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.667 -3.395 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.789 -2.825 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.427 -3.949 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.901 -4.492 -5.791 1.00 0.00 H new ATOM 1301 N LEU A 95 2.100 -6.935 -6.290 1.00 0.00 N ATOM 1302 CA LEU A 95 2.946 -7.524 -5.336 1.00 0.00 C ATOM 1303 C LEU A 95 2.785 -8.955 -5.133 1.00 0.00 C ATOM 1304 O LEU A 95 3.482 -9.532 -4.325 1.00 0.00 O ATOM 1305 CB LEU A 95 2.965 -6.747 -4.049 1.00 0.00 C ATOM 1306 CG LEU A 95 1.631 -6.523 -3.349 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.081 -7.756 -2.635 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.672 -5.310 -2.469 1.00 0.00 C ATOM 0 H LEU A 95 1.141 -6.759 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 95 3.937 -7.456 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.628 -7.262 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.408 -5.772 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 95 0.908 -6.330 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.130 -7.509 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.931 -8.558 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.790 -8.082 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.704 -5.179 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.444 -5.437 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.898 -4.431 -3.072 1.00 0.00 H new ATOM 1320 N SER A 96 1.874 -9.529 -5.750 1.00 0.00 N ATOM 1321 CA SER A 96 1.874 -10.930 -5.706 1.00 0.00 C ATOM 1322 C SER A 96 2.616 -11.409 -6.932 1.00 0.00 C ATOM 1323 O SER A 96 3.236 -12.486 -6.918 1.00 0.00 O ATOM 1324 CB SER A 96 0.470 -11.529 -5.557 1.00 0.00 C ATOM 1325 OG SER A 96 0.498 -12.945 -5.449 1.00 0.00 O ATOM 0 H SER A 96 1.127 -9.085 -6.284 1.00 0.00 H new ATOM 0 HA SER A 96 2.384 -11.281 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.010 -11.109 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.137 -11.244 -6.416 1.00 0.00 H new ATOM 0 HG SER A 96 -0.417 -13.284 -5.354 1.00 0.00 H new ATOM 1331 N GLY A 97 2.599 -10.603 -8.003 1.00 0.00 N ATOM 1332 CA GLY A 97 3.406 -10.978 -9.110 1.00 0.00 C ATOM 1333 C GLY A 97 3.272 -10.093 -10.298 1.00 0.00 C ATOM 1334 O GLY A 97 3.082 -10.598 -11.404 1.00 0.00 O ATOM 0 H GLY A 97 2.061 -9.742 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.450 -10.988 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.151 -11.997 -9.401 1.00 0.00 H new ATOM 1338 N LYS A 98 3.343 -8.783 -10.128 1.00 0.00 N ATOM 1339 CA LYS A 98 3.299 -7.950 -11.360 1.00 0.00 C ATOM 1340 C LYS A 98 4.682 -7.594 -11.731 1.00 0.00 C ATOM 1341 O LYS A 98 5.058 -7.545 -12.902 1.00 0.00 O ATOM 1342 CB LYS A 98 2.521 -6.686 -11.181 1.00 0.00 C ATOM 1343 CG LYS A 98 2.166 -5.964 -12.473 1.00 0.00 C ATOM 1344 CD LYS A 98 1.489 -4.640 -12.184 1.00 0.00 C ATOM 1345 CE LYS A 98 1.077 -3.916 -13.453 1.00 0.00 C ATOM 1346 NZ LYS A 98 0.046 -4.653 -14.203 1.00 0.00 N ATOM 0 H LYS A 98 3.425 -8.288 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 98 2.803 -8.536 -12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.600 -6.916 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.096 -6.009 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.069 -5.795 -13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.507 -6.590 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.609 -4.812 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.165 -4.006 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.700 -2.925 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.952 -3.771 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.350 -4.039 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.471 -5.495 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.712 -4.947 -13.554 1.00 0.00 H new ATOM 1360 N ALA A 99 5.386 -7.295 -10.716 1.00 0.00 N ATOM 1361 CA ALA A 99 6.770 -6.930 -10.766 1.00 0.00 C ATOM 1362 C ALA A 99 7.614 -8.112 -11.229 1.00 0.00 C ATOM 1363 O ALA A 99 7.924 -8.987 -10.413 1.00 0.00 O ATOM 1364 CB ALA A 99 7.200 -6.431 -9.400 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.938 -8.186 -12.435 1.00 0.00 O ATOM 0 H ALA A 99 5.007 -7.293 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 99 6.918 -6.128 -11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.253 -6.151 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.601 -5.563 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.055 -7.220 -8.662 1.00 0.00 H new