USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot 27:sc= 0.874 USER MOD Set 1.2: A 30 HIS :FLIP no HD1:sc= -2.97 F(o=-3.2!,f=-2.1) USER MOD Set 2.1: A 28 TYR OH : rot -143:sc= 0.916 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -137:sc= 0.786 (180deg=-0.00544) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc=-0.00268 (180deg=-0.302) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -3.09! (180deg=-5.97!) USER MOD Single : A 14 HIS : no HE2:sc= 0.738 K(o=0.74,f=-5.6!) USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 2.14 (180deg=-2.1!) USER MOD Single : A 17 THR OG1 : rot 34:sc= 1.01 USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 24 MET CE :methyl 145:sc= -0.264 (180deg=-1.22) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.37! C(o=-1.4!,f=-16!) USER MOD Single : A 35 THR OG1 : rot -95:sc= 0.957 USER MOD Single : A 40 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.7!) USER MOD Single : A 41 THR OG1 : rot 99:sc= 0.792 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.37! (180deg=-0.873!) USER MOD Single : A 54 LYS NZ :NH3+ 144:sc= -0.292 (180deg=-1.47!) USER MOD Single : A 59 ASN : amide:sc= -0.867 K(o=-0.87,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= -2.65! (180deg=-3.34!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 93:sc= 1.29 USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= -0.169 (180deg=-7.27!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.945 (180deg=0.681) USER MOD Single : A 73 TYR OH : rot 74:sc= -1.53! USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -3.61! (180deg=-6.69!) USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= -2.2! (180deg=-5.17!) USER MOD Single : A 82 LYS NZ :NH3+ -157:sc= 0.32! (180deg=-1.01!) USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= 0.637 (180deg=-2.05!) USER MOD Single : A 84 TYR OH : rot 151:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.223 2.450 -2.264 1.00 1.43 N ATOM 42 CA GLU A 4 5.988 2.077 -1.028 1.00 1.63 C ATOM 43 C GLU A 4 7.307 1.522 -1.564 1.00 1.20 C ATOM 44 O GLU A 4 8.334 1.485 -0.939 1.00 1.48 O ATOM 45 CB GLU A 4 5.131 1.063 -0.261 1.00 1.80 C ATOM 46 CG GLU A 4 4.487 1.724 1.024 1.00 2.70 C ATOM 47 CD GLU A 4 3.753 3.054 0.765 1.00 3.77 C ATOM 48 OE1 GLU A 4 4.455 4.001 0.461 1.00 4.56 O ATOM 49 OE2 GLU A 4 2.535 3.084 0.878 1.00 4.00 O ATOM 0 HA GLU A 4 6.202 2.884 -0.327 1.00 1.63 H new ATOM 0 HB2 GLU A 4 4.344 0.681 -0.911 1.00 1.80 H new ATOM 0 HB3 GLU A 4 5.744 0.211 0.032 1.00 1.80 H new ATOM 0 HG2 GLU A 4 3.785 1.017 1.466 1.00 2.70 H new ATOM 0 HG3 GLU A 4 5.272 1.896 1.760 1.00 2.70 H new ATOM 56 N PHE A 5 7.205 1.079 -2.767 1.00 0.54 N ATOM 57 CA PHE A 5 8.308 0.517 -3.557 1.00 0.27 C ATOM 58 C PHE A 5 9.387 1.633 -3.628 1.00 0.61 C ATOM 59 O PHE A 5 10.568 1.472 -3.408 1.00 0.56 O ATOM 60 CB PHE A 5 7.610 0.167 -4.881 1.00 0.46 C ATOM 61 CG PHE A 5 8.480 0.614 -6.033 1.00 0.35 C ATOM 62 CD1 PHE A 5 8.579 1.935 -6.409 1.00 0.96 C ATOM 63 CD2 PHE A 5 9.214 -0.325 -6.675 1.00 1.45 C ATOM 64 CE1 PHE A 5 9.417 2.288 -7.414 1.00 1.04 C ATOM 65 CE2 PHE A 5 10.058 0.018 -7.688 1.00 1.41 C ATOM 66 CZ PHE A 5 10.154 1.339 -8.049 1.00 0.37 C ATOM 0 H PHE A 5 6.320 1.087 -3.275 1.00 0.54 H new ATOM 0 HA PHE A 5 8.825 -0.367 -3.183 1.00 0.27 H new ATOM 0 HB2 PHE A 5 7.431 -0.907 -4.939 1.00 0.46 H new ATOM 0 HB3 PHE A 5 6.637 0.655 -4.933 1.00 0.46 H new ATOM 0 HD1 PHE A 5 7.991 2.687 -5.905 1.00 0.96 H new ATOM 0 HD2 PHE A 5 9.129 -1.360 -6.380 1.00 1.45 H new ATOM 0 HE1 PHE A 5 9.499 3.323 -7.710 1.00 1.04 H new ATOM 0 HE2 PHE A 5 10.641 -0.735 -8.197 1.00 1.41 H new ATOM 0 HZ PHE A 5 10.823 1.627 -8.847 1.00 0.37 H new ATOM 76 N ASP A 6 8.871 2.780 -3.940 1.00 0.90 N ATOM 77 CA ASP A 6 9.673 4.008 -4.078 1.00 1.22 C ATOM 78 C ASP A 6 10.281 4.330 -2.705 1.00 0.99 C ATOM 79 O ASP A 6 11.277 5.004 -2.558 1.00 1.02 O ATOM 80 CB ASP A 6 8.662 4.981 -4.678 1.00 1.89 C ATOM 81 CG ASP A 6 9.124 5.353 -6.095 1.00 2.74 C ATOM 82 OD1 ASP A 6 10.268 5.762 -6.248 1.00 3.69 O ATOM 83 OD2 ASP A 6 8.271 5.180 -6.949 1.00 2.78 O ATOM 0 H ASP A 6 7.875 2.917 -4.113 1.00 0.90 H new ATOM 0 HA ASP A 6 10.552 3.993 -4.722 1.00 1.22 H new ATOM 0 HB2 ASP A 6 7.672 4.526 -4.710 1.00 1.89 H new ATOM 0 HB3 ASP A 6 8.583 5.875 -4.059 1.00 1.89 H new ATOM 88 N LYS A 7 9.639 3.805 -1.703 1.00 0.98 N ATOM 89 CA LYS A 7 10.122 3.996 -0.296 1.00 1.04 C ATOM 90 C LYS A 7 11.272 2.912 -0.215 1.00 0.60 C ATOM 91 O LYS A 7 12.361 3.143 0.276 1.00 0.44 O ATOM 92 CB LYS A 7 8.903 3.728 0.587 1.00 1.34 C ATOM 93 CG LYS A 7 8.957 4.385 1.972 1.00 2.29 C ATOM 94 CD LYS A 7 7.511 4.230 2.556 1.00 2.61 C ATOM 95 CE LYS A 7 6.520 5.234 1.942 1.00 4.98 C ATOM 96 NZ LYS A 7 6.888 6.603 2.403 1.00 6.04 N ATOM 0 H LYS A 7 8.791 3.245 -1.792 1.00 0.98 H new ATOM 0 HA LYS A 7 10.509 4.969 0.009 1.00 1.04 H new ATOM 0 HB2 LYS A 7 8.011 4.079 0.068 1.00 1.34 H new ATOM 0 HB3 LYS A 7 8.794 2.651 0.715 1.00 1.34 H new ATOM 0 HG2 LYS A 7 9.694 3.898 2.611 1.00 2.29 H new ATOM 0 HG3 LYS A 7 9.242 5.435 1.899 1.00 2.29 H new ATOM 0 HD2 LYS A 7 7.156 3.216 2.375 1.00 2.61 H new ATOM 0 HD3 LYS A 7 7.542 4.369 3.637 1.00 2.61 H new ATOM 0 HE2 LYS A 7 6.551 5.180 0.854 1.00 4.98 H new ATOM 0 HE3 LYS A 7 5.501 4.994 2.244 1.00 4.98 H new ATOM 0 HZ1 LYS A 7 6.076 7.241 2.278 1.00 6.04 H new ATOM 0 HZ2 LYS A 7 7.152 6.571 3.408 1.00 6.04 H new ATOM 0 HZ3 LYS A 7 7.693 6.953 1.845 1.00 6.04 H new ATOM 110 N ALA A 8 11.042 1.717 -0.712 1.00 0.42 N ATOM 111 CA ALA A 8 12.107 0.644 -0.685 1.00 0.18 C ATOM 112 C ALA A 8 13.356 1.270 -1.388 1.00 0.25 C ATOM 113 O ALA A 8 14.490 1.153 -0.952 1.00 0.30 O ATOM 114 CB ALA A 8 11.556 -0.593 -1.438 1.00 0.27 C ATOM 0 H ALA A 8 10.160 1.432 -1.138 1.00 0.42 H new ATOM 0 HA ALA A 8 12.382 0.316 0.318 1.00 0.18 H new ATOM 0 HB1 ALA A 8 12.305 -1.385 -1.434 1.00 0.27 H new ATOM 0 HB2 ALA A 8 10.651 -0.947 -0.943 1.00 0.27 H new ATOM 0 HB3 ALA A 8 11.323 -0.319 -2.467 1.00 0.27 H new ATOM 120 N ALA A 9 13.093 1.931 -2.490 1.00 0.34 N ATOM 121 CA ALA A 9 14.103 2.633 -3.326 1.00 0.46 C ATOM 122 C ALA A 9 14.936 3.645 -2.511 1.00 0.47 C ATOM 123 O ALA A 9 15.896 4.205 -3.001 1.00 0.46 O ATOM 124 CB ALA A 9 13.335 3.332 -4.394 1.00 0.54 C ATOM 0 H ALA A 9 12.147 2.012 -2.862 1.00 0.34 H new ATOM 0 HA ALA A 9 14.819 1.919 -3.734 1.00 0.46 H new ATOM 0 HB1 ALA A 9 14.024 3.870 -5.045 1.00 0.54 H new ATOM 0 HB2 ALA A 9 12.778 2.601 -4.980 1.00 0.54 H new ATOM 0 HB3 ALA A 9 12.640 4.038 -3.940 1.00 0.54 H new ATOM 130 N GLU A 10 14.552 3.859 -1.291 1.00 0.57 N ATOM 131 CA GLU A 10 15.255 4.802 -0.391 1.00 0.58 C ATOM 132 C GLU A 10 16.005 3.826 0.454 1.00 0.46 C ATOM 133 O GLU A 10 17.216 3.884 0.501 1.00 0.52 O ATOM 134 CB GLU A 10 14.166 5.623 0.325 1.00 0.58 C ATOM 135 CG GLU A 10 13.474 6.571 -0.721 1.00 1.32 C ATOM 136 CD GLU A 10 14.451 7.520 -1.394 1.00 2.80 C ATOM 137 OE1 GLU A 10 15.466 7.804 -0.786 1.00 3.32 O ATOM 138 OE2 GLU A 10 14.179 7.927 -2.508 1.00 3.83 O ATOM 0 H GLU A 10 13.747 3.400 -0.865 1.00 0.57 H new ATOM 0 HA GLU A 10 15.927 5.551 -0.810 1.00 0.58 H new ATOM 0 HB2 GLU A 10 13.429 4.959 0.777 1.00 0.58 H new ATOM 0 HB3 GLU A 10 14.605 6.209 1.132 1.00 0.58 H new ATOM 0 HG2 GLU A 10 12.980 5.966 -1.481 1.00 1.32 H new ATOM 0 HG3 GLU A 10 12.698 7.151 -0.221 1.00 1.32 H new ATOM 145 N GLU A 11 15.325 2.935 1.099 1.00 0.39 N ATOM 146 CA GLU A 11 16.037 1.935 1.941 1.00 0.41 C ATOM 147 C GLU A 11 17.329 1.384 1.293 1.00 0.46 C ATOM 148 O GLU A 11 18.421 1.481 1.829 1.00 0.49 O ATOM 149 CB GLU A 11 15.054 0.867 2.167 1.00 0.53 C ATOM 150 CG GLU A 11 14.131 1.258 3.306 1.00 0.59 C ATOM 151 CD GLU A 11 14.172 0.213 4.417 1.00 0.77 C ATOM 152 OE1 GLU A 11 14.436 -0.940 4.107 1.00 1.97 O ATOM 153 OE2 GLU A 11 13.929 0.573 5.553 1.00 1.06 O ATOM 0 H GLU A 11 14.309 2.850 1.084 1.00 0.39 H new ATOM 0 HA GLU A 11 16.385 2.393 2.867 1.00 0.41 H new ATOM 0 HB2 GLU A 11 14.475 0.694 1.260 1.00 0.53 H new ATOM 0 HB3 GLU A 11 15.564 -0.067 2.403 1.00 0.53 H new ATOM 0 HG2 GLU A 11 14.426 2.229 3.703 1.00 0.59 H new ATOM 0 HG3 GLU A 11 13.111 1.362 2.935 1.00 0.59 H new ATOM 160 N VAL A 12 17.159 0.808 0.128 1.00 0.48 N ATOM 161 CA VAL A 12 18.278 0.219 -0.647 1.00 0.55 C ATOM 162 C VAL A 12 19.485 1.171 -0.828 1.00 0.77 C ATOM 163 O VAL A 12 20.559 0.758 -1.197 1.00 0.82 O ATOM 164 CB VAL A 12 17.611 -0.235 -1.967 1.00 0.52 C ATOM 165 CG1 VAL A 12 17.699 0.800 -3.083 1.00 0.57 C ATOM 166 CG2 VAL A 12 18.083 -1.624 -2.357 1.00 0.51 C ATOM 0 H VAL A 12 16.251 0.723 -0.329 1.00 0.48 H new ATOM 0 HA VAL A 12 18.749 -0.615 -0.127 1.00 0.55 H new ATOM 0 HB VAL A 12 16.539 -0.312 -1.785 1.00 0.52 H new ATOM 0 HG11 VAL A 12 17.211 0.413 -3.977 1.00 0.57 H new ATOM 0 HG12 VAL A 12 17.204 1.718 -2.768 1.00 0.57 H new ATOM 0 HG13 VAL A 12 18.746 1.010 -3.303 1.00 0.57 H new ATOM 0 HG21 VAL A 12 17.602 -1.924 -3.288 1.00 0.51 H new ATOM 0 HG22 VAL A 12 19.164 -1.616 -2.494 1.00 0.51 H new ATOM 0 HG23 VAL A 12 17.822 -2.331 -1.570 1.00 0.51 H new ATOM 176 N LYS A 13 19.274 2.433 -0.580 1.00 1.16 N ATOM 177 CA LYS A 13 20.313 3.495 -0.680 1.00 1.27 C ATOM 178 C LYS A 13 20.921 3.715 0.730 1.00 1.28 C ATOM 179 O LYS A 13 22.051 4.124 0.905 1.00 1.64 O ATOM 180 CB LYS A 13 19.690 4.805 -1.076 1.00 1.36 C ATOM 181 CG LYS A 13 19.243 4.922 -2.505 1.00 1.13 C ATOM 182 CD LYS A 13 19.014 6.463 -2.796 1.00 1.07 C ATOM 183 CE LYS A 13 17.734 6.988 -2.108 1.00 2.42 C ATOM 184 NZ LYS A 13 16.528 6.707 -2.957 1.00 3.58 N ATOM 0 H LYS A 13 18.363 2.791 -0.294 1.00 1.16 H new ATOM 0 HA LYS A 13 21.056 3.186 -1.415 1.00 1.27 H new ATOM 0 HB2 LYS A 13 18.829 4.983 -0.432 1.00 1.36 H new ATOM 0 HB3 LYS A 13 20.408 5.600 -0.875 1.00 1.36 H new ATOM 0 HG2 LYS A 13 19.994 4.510 -3.179 1.00 1.13 H new ATOM 0 HG3 LYS A 13 18.325 4.358 -2.669 1.00 1.13 H new ATOM 0 HD2 LYS A 13 19.875 7.032 -2.446 1.00 1.07 H new ATOM 0 HD3 LYS A 13 18.942 6.624 -3.872 1.00 1.07 H new ATOM 0 HE2 LYS A 13 17.618 6.515 -1.133 1.00 2.42 H new ATOM 0 HE3 LYS A 13 17.821 8.060 -1.934 1.00 2.42 H new ATOM 0 HZ1 LYS A 13 15.908 7.542 -2.967 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 16.830 6.489 -3.928 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 16.009 5.895 -2.565 1.00 3.58 H new ATOM 198 N HIS A 14 20.111 3.414 1.699 1.00 0.97 N ATOM 199 CA HIS A 14 20.515 3.574 3.125 1.00 1.03 C ATOM 200 C HIS A 14 21.226 2.344 3.630 1.00 1.14 C ATOM 201 O HIS A 14 21.847 2.420 4.674 1.00 1.10 O ATOM 202 CB HIS A 14 19.257 3.858 3.989 1.00 0.84 C ATOM 203 CG HIS A 14 18.689 5.213 3.576 1.00 0.64 C ATOM 204 ND1 HIS A 14 17.942 5.399 2.548 1.00 0.45 N ATOM 205 CD2 HIS A 14 18.821 6.472 4.130 1.00 0.92 C ATOM 206 CE1 HIS A 14 17.624 6.653 2.448 1.00 0.42 C ATOM 207 NE2 HIS A 14 18.153 7.357 3.417 1.00 0.54 N ATOM 0 H HIS A 14 19.165 3.056 1.564 1.00 0.97 H new ATOM 0 HA HIS A 14 21.207 4.413 3.199 1.00 1.03 H new ATOM 0 HB2 HIS A 14 18.513 3.075 3.846 1.00 0.84 H new ATOM 0 HB3 HIS A 14 19.516 3.861 5.048 1.00 0.84 H new ATOM 0 HD1 HIS A 14 17.642 4.667 1.904 1.00 0.45 H new ATOM 0 HD2 HIS A 14 19.390 6.699 5.020 1.00 0.92 H new ATOM 0 HE1 HIS A 14 17.003 7.063 1.666 1.00 0.42 H new ATOM 215 N LEU A 15 21.115 1.237 2.924 1.00 1.33 N ATOM 216 CA LEU A 15 21.803 0.009 3.360 1.00 1.45 C ATOM 217 C LEU A 15 23.193 0.415 3.818 1.00 1.65 C ATOM 218 O LEU A 15 23.848 1.182 3.141 1.00 1.81 O ATOM 219 CB LEU A 15 21.937 -0.896 2.198 1.00 1.42 C ATOM 220 CG LEU A 15 20.628 -1.246 1.560 1.00 0.94 C ATOM 221 CD1 LEU A 15 20.967 -1.884 0.271 1.00 1.04 C ATOM 222 CD2 LEU A 15 19.916 -2.234 2.442 1.00 0.87 C ATOM 0 H LEU A 15 20.572 1.148 2.065 1.00 1.33 H new ATOM 0 HA LEU A 15 21.252 -0.490 4.157 1.00 1.45 H new ATOM 0 HB2 LEU A 15 22.581 -0.427 1.454 1.00 1.42 H new ATOM 0 HB3 LEU A 15 22.434 -1.813 2.517 1.00 1.42 H new ATOM 0 HG LEU A 15 19.987 -0.376 1.417 1.00 0.94 H new ATOM 0 HD11 LEU A 15 20.051 -2.165 -0.248 1.00 1.04 H new ATOM 0 HD12 LEU A 15 21.532 -1.184 -0.344 1.00 1.04 H new ATOM 0 HD13 LEU A 15 21.569 -2.774 0.453 1.00 1.04 H new ATOM 0 HD21 LEU A 15 18.960 -2.500 1.992 1.00 0.87 H new ATOM 0 HD22 LEU A 15 20.527 -3.130 2.552 1.00 0.87 H new ATOM 0 HD23 LEU A 15 19.744 -1.789 3.422 1.00 0.87 H new ATOM 234 N LYS A 16 23.616 -0.099 4.929 1.00 1.80 N ATOM 235 CA LYS A 16 24.973 0.246 5.446 1.00 1.92 C ATOM 236 C LYS A 16 26.040 0.080 4.344 1.00 1.57 C ATOM 237 O LYS A 16 27.168 0.511 4.482 1.00 1.79 O ATOM 238 CB LYS A 16 25.198 -0.678 6.676 1.00 2.03 C ATOM 239 CG LYS A 16 24.452 -0.125 7.944 1.00 2.49 C ATOM 240 CD LYS A 16 23.017 0.406 7.595 1.00 2.49 C ATOM 241 CE LYS A 16 22.220 0.866 8.814 1.00 3.34 C ATOM 242 NZ LYS A 16 21.690 -0.349 9.497 1.00 4.02 N ATOM 0 H LYS A 16 23.083 -0.747 5.509 1.00 1.80 H new ATOM 0 HA LYS A 16 25.055 1.290 5.748 1.00 1.92 H new ATOM 0 HB2 LYS A 16 24.841 -1.683 6.450 1.00 2.03 H new ATOM 0 HB3 LYS A 16 26.265 -0.758 6.884 1.00 2.03 H new ATOM 0 HG2 LYS A 16 24.375 -0.914 8.692 1.00 2.49 H new ATOM 0 HG3 LYS A 16 25.038 0.679 8.388 1.00 2.49 H new ATOM 0 HD2 LYS A 16 23.107 1.237 6.896 1.00 2.49 H new ATOM 0 HD3 LYS A 16 22.462 -0.381 7.085 1.00 2.49 H new ATOM 0 HE2 LYS A 16 22.854 1.439 9.491 1.00 3.34 H new ATOM 0 HE3 LYS A 16 21.403 1.521 8.511 1.00 3.34 H new ATOM 0 HZ1 LYS A 16 20.658 -0.269 9.596 1.00 4.02 H new ATOM 0 HZ2 LYS A 16 21.920 -1.192 8.933 1.00 4.02 H new ATOM 0 HZ3 LYS A 16 22.122 -0.434 10.439 1.00 4.02 H new ATOM 256 N THR A 17 25.660 -0.562 3.275 1.00 1.09 N ATOM 257 CA THR A 17 26.605 -0.779 2.151 1.00 0.93 C ATOM 258 C THR A 17 26.175 -0.959 0.680 1.00 1.07 C ATOM 259 O THR A 17 25.457 -1.900 0.416 1.00 1.07 O ATOM 260 CB THR A 17 27.450 -1.988 2.596 1.00 0.53 C ATOM 261 OG1 THR A 17 28.609 -1.437 3.189 1.00 0.39 O ATOM 262 CG2 THR A 17 27.970 -2.854 1.478 1.00 0.54 C ATOM 0 H THR A 17 24.727 -0.948 3.133 1.00 1.09 H new ATOM 0 HA THR A 17 27.078 0.196 2.031 1.00 0.93 H new ATOM 0 HB THR A 17 26.813 -2.607 3.228 1.00 0.53 H new ATOM 0 HG1 THR A 17 28.379 -0.597 3.638 1.00 0.39 H new ATOM 0 HG21 THR A 17 28.551 -3.676 1.895 1.00 0.54 H new ATOM 0 HG22 THR A 17 27.132 -3.255 0.908 1.00 0.54 H new ATOM 0 HG23 THR A 17 28.604 -2.258 0.821 1.00 0.54 H new ATOM 270 N LYS A 18 26.567 -0.064 -0.216 1.00 1.24 N ATOM 271 CA LYS A 18 26.298 -0.107 -1.677 1.00 1.45 C ATOM 272 C LYS A 18 26.307 -1.610 -2.008 1.00 1.32 C ATOM 273 O LYS A 18 27.364 -2.208 -2.130 1.00 1.39 O ATOM 274 CB LYS A 18 27.465 0.667 -2.376 1.00 1.70 C ATOM 275 CG LYS A 18 28.880 0.237 -1.801 1.00 2.42 C ATOM 276 CD LYS A 18 29.993 0.650 -2.809 1.00 2.36 C ATOM 277 CE LYS A 18 31.362 0.026 -2.456 1.00 2.69 C ATOM 278 NZ LYS A 18 31.835 0.559 -1.134 1.00 4.50 N ATOM 0 H LYS A 18 27.108 0.758 0.052 1.00 1.24 H new ATOM 0 HA LYS A 18 25.362 0.348 -2.000 1.00 1.45 H new ATOM 0 HB2 LYS A 18 27.436 0.479 -3.449 1.00 1.70 H new ATOM 0 HB3 LYS A 18 27.326 1.739 -2.237 1.00 1.70 H new ATOM 0 HG2 LYS A 18 29.053 0.713 -0.836 1.00 2.42 H new ATOM 0 HG3 LYS A 18 28.906 -0.840 -1.635 1.00 2.42 H new ATOM 0 HD2 LYS A 18 29.703 0.342 -3.814 1.00 2.36 H new ATOM 0 HD3 LYS A 18 30.083 1.736 -2.823 1.00 2.36 H new ATOM 0 HE2 LYS A 18 31.277 -1.060 -2.412 1.00 2.69 H new ATOM 0 HE3 LYS A 18 32.090 0.258 -3.234 1.00 2.69 H new ATOM 0 HZ1 LYS A 18 32.779 0.177 -0.923 1.00 4.50 H new ATOM 0 HZ2 LYS A 18 31.883 1.597 -1.175 1.00 4.50 H new ATOM 0 HZ3 LYS A 18 31.171 0.273 -0.387 1.00 4.50 H new ATOM 292 N PRO A 19 25.153 -2.201 -2.135 1.00 1.15 N ATOM 293 CA PRO A 19 25.097 -3.645 -2.435 1.00 1.06 C ATOM 294 C PRO A 19 25.912 -4.088 -3.629 1.00 1.28 C ATOM 295 O PRO A 19 26.389 -3.296 -4.414 1.00 1.44 O ATOM 296 CB PRO A 19 23.615 -3.902 -2.542 1.00 0.83 C ATOM 297 CG PRO A 19 23.059 -2.830 -1.595 1.00 0.75 C ATOM 298 CD PRO A 19 23.810 -1.599 -2.000 1.00 1.02 C ATOM 0 HA PRO A 19 25.573 -4.250 -1.663 1.00 1.06 H new ATOM 0 HB2 PRO A 19 23.249 -3.781 -3.561 1.00 0.83 H new ATOM 0 HB3 PRO A 19 23.348 -4.910 -2.225 1.00 0.83 H new ATOM 0 HG2 PRO A 19 21.983 -2.704 -1.716 1.00 0.75 H new ATOM 0 HG3 PRO A 19 23.235 -3.084 -0.550 1.00 0.75 H new ATOM 0 HD2 PRO A 19 23.444 -1.166 -2.931 1.00 1.02 H new ATOM 0 HD3 PRO A 19 23.772 -0.812 -1.246 1.00 1.02 H new ATOM 306 N ALA A 20 26.046 -5.373 -3.756 1.00 1.30 N ATOM 307 CA ALA A 20 26.855 -5.869 -4.913 1.00 1.53 C ATOM 308 C ALA A 20 26.191 -5.484 -6.243 1.00 1.31 C ATOM 309 O ALA A 20 25.012 -5.732 -6.428 1.00 1.03 O ATOM 310 CB ALA A 20 26.973 -7.386 -4.808 1.00 1.66 C ATOM 0 H ALA A 20 25.651 -6.083 -3.140 1.00 1.30 H new ATOM 0 HA ALA A 20 27.845 -5.413 -4.886 1.00 1.53 H new ATOM 0 HB1 ALA A 20 27.560 -7.764 -5.645 1.00 1.66 H new ATOM 0 HB2 ALA A 20 27.465 -7.649 -3.871 1.00 1.66 H new ATOM 0 HB3 ALA A 20 25.978 -7.831 -4.833 1.00 1.66 H new ATOM 316 N ASP A 21 26.946 -4.873 -7.125 1.00 1.47 N ATOM 317 CA ASP A 21 26.389 -4.474 -8.449 1.00 1.28 C ATOM 318 C ASP A 21 25.388 -5.571 -8.970 1.00 1.07 C ATOM 319 O ASP A 21 24.364 -5.221 -9.501 1.00 0.81 O ATOM 320 CB ASP A 21 27.668 -4.212 -9.296 1.00 1.44 C ATOM 321 CG ASP A 21 28.354 -2.920 -8.805 1.00 1.81 C ATOM 322 OD1 ASP A 21 29.153 -3.120 -7.906 1.00 1.59 O ATOM 323 OD2 ASP A 21 28.051 -1.850 -9.333 1.00 2.54 O ATOM 0 H ASP A 21 27.927 -4.634 -6.981 1.00 1.47 H new ATOM 0 HA ASP A 21 25.762 -3.582 -8.463 1.00 1.28 H new ATOM 0 HB2 ASP A 21 28.353 -5.055 -9.210 1.00 1.44 H new ATOM 0 HB3 ASP A 21 27.407 -4.120 -10.350 1.00 1.44 H new ATOM 328 N GLU A 22 25.634 -6.856 -8.838 1.00 1.20 N ATOM 329 CA GLU A 22 24.658 -7.907 -9.320 1.00 1.13 C ATOM 330 C GLU A 22 23.262 -7.808 -8.623 1.00 0.89 C ATOM 331 O GLU A 22 22.231 -8.065 -9.219 1.00 0.77 O ATOM 332 CB GLU A 22 25.307 -9.305 -9.085 1.00 1.41 C ATOM 333 CG GLU A 22 26.565 -9.442 -10.013 1.00 1.57 C ATOM 334 CD GLU A 22 27.269 -10.816 -9.886 1.00 1.68 C ATOM 335 OE1 GLU A 22 26.689 -11.780 -10.361 1.00 0.70 O ATOM 336 OE2 GLU A 22 28.353 -10.822 -9.322 1.00 2.79 O ATOM 0 H GLU A 22 26.481 -7.232 -8.411 1.00 1.20 H new ATOM 0 HA GLU A 22 24.463 -7.746 -10.380 1.00 1.13 H new ATOM 0 HB2 GLU A 22 25.595 -9.416 -8.040 1.00 1.41 H new ATOM 0 HB3 GLU A 22 24.589 -10.096 -9.303 1.00 1.41 H new ATOM 0 HG2 GLU A 22 26.263 -9.290 -11.049 1.00 1.57 H new ATOM 0 HG3 GLU A 22 27.276 -8.653 -9.769 1.00 1.57 H new ATOM 343 N GLU A 23 23.214 -7.444 -7.373 1.00 0.90 N ATOM 344 CA GLU A 23 21.882 -7.323 -6.695 1.00 0.64 C ATOM 345 C GLU A 23 21.328 -5.952 -7.088 1.00 0.47 C ATOM 346 O GLU A 23 20.124 -5.767 -7.173 1.00 0.34 O ATOM 347 CB GLU A 23 22.162 -7.497 -5.196 1.00 0.59 C ATOM 348 CG GLU A 23 22.344 -9.038 -5.034 1.00 0.42 C ATOM 349 CD GLU A 23 20.978 -9.780 -5.131 1.00 1.72 C ATOM 350 OE1 GLU A 23 19.960 -9.161 -5.369 1.00 2.93 O ATOM 351 OE2 GLU A 23 20.966 -10.983 -4.950 1.00 2.34 O ATOM 0 H GLU A 23 24.024 -7.226 -6.793 1.00 0.90 H new ATOM 0 HA GLU A 23 21.134 -8.064 -6.977 1.00 0.64 H new ATOM 0 HB2 GLU A 23 23.055 -6.953 -4.889 1.00 0.59 H new ATOM 0 HB3 GLU A 23 21.338 -7.124 -4.588 1.00 0.59 H new ATOM 0 HG2 GLU A 23 23.019 -9.410 -5.805 1.00 0.42 H new ATOM 0 HG3 GLU A 23 22.810 -9.253 -4.072 1.00 0.42 H new ATOM 358 N MET A 24 22.236 -5.034 -7.334 1.00 0.53 N ATOM 359 CA MET A 24 21.848 -3.660 -7.743 1.00 0.47 C ATOM 360 C MET A 24 21.127 -3.959 -9.075 1.00 0.27 C ATOM 361 O MET A 24 20.013 -3.547 -9.267 1.00 0.17 O ATOM 362 CB MET A 24 23.131 -2.839 -7.923 1.00 0.70 C ATOM 363 CG MET A 24 23.935 -2.673 -6.646 1.00 0.75 C ATOM 364 SD MET A 24 25.319 -1.534 -6.874 1.00 1.10 S ATOM 365 CE MET A 24 24.278 -0.056 -6.915 1.00 0.79 C ATOM 0 H MET A 24 23.242 -5.189 -7.265 1.00 0.53 H new ATOM 0 HA MET A 24 21.229 -3.088 -7.052 1.00 0.47 H new ATOM 0 HB2 MET A 24 23.756 -3.319 -8.675 1.00 0.70 H new ATOM 0 HB3 MET A 24 22.870 -1.853 -8.308 1.00 0.70 H new ATOM 0 HG2 MET A 24 23.286 -2.303 -5.852 1.00 0.75 H new ATOM 0 HG3 MET A 24 24.311 -3.644 -6.324 1.00 0.75 H new ATOM 0 HE1 MET A 24 24.805 0.774 -6.444 1.00 0.79 H new ATOM 0 HE2 MET A 24 24.050 0.200 -7.950 1.00 0.79 H new ATOM 0 HE3 MET A 24 23.350 -0.249 -6.376 1.00 0.79 H new ATOM 375 N LEU A 25 21.803 -4.650 -9.956 1.00 0.32 N ATOM 376 CA LEU A 25 21.304 -5.077 -11.293 1.00 0.21 C ATOM 377 C LEU A 25 19.785 -5.277 -11.270 1.00 0.20 C ATOM 378 O LEU A 25 19.039 -4.561 -11.920 1.00 0.22 O ATOM 379 CB LEU A 25 22.151 -6.339 -11.582 1.00 0.38 C ATOM 380 CG LEU A 25 23.192 -6.023 -12.614 1.00 0.16 C ATOM 381 CD1 LEU A 25 24.468 -6.805 -12.538 1.00 0.48 C ATOM 382 CD2 LEU A 25 22.595 -6.215 -14.000 1.00 0.40 C ATOM 0 H LEU A 25 22.760 -4.957 -9.780 1.00 0.32 H new ATOM 0 HA LEU A 25 21.424 -4.348 -12.095 1.00 0.21 H new ATOM 0 HB2 LEU A 25 22.627 -6.687 -10.665 1.00 0.38 H new ATOM 0 HB3 LEU A 25 21.509 -7.147 -11.934 1.00 0.38 H new ATOM 0 HG LEU A 25 23.475 -4.991 -12.407 1.00 0.16 H new ATOM 0 HD11 LEU A 25 25.139 -6.486 -13.336 1.00 0.48 H new ATOM 0 HD12 LEU A 25 24.944 -6.632 -11.573 1.00 0.48 H new ATOM 0 HD13 LEU A 25 24.251 -7.867 -12.650 1.00 0.48 H new ATOM 0 HD21 LEU A 25 23.347 -5.987 -14.755 1.00 0.40 H new ATOM 0 HD22 LEU A 25 22.267 -7.248 -14.115 1.00 0.40 H new ATOM 0 HD23 LEU A 25 21.742 -5.548 -14.124 1.00 0.40 H new ATOM 394 N PHE A 26 19.387 -6.248 -10.495 1.00 0.22 N ATOM 395 CA PHE A 26 17.927 -6.538 -10.386 1.00 0.21 C ATOM 396 C PHE A 26 17.147 -5.344 -9.826 1.00 0.12 C ATOM 397 O PHE A 26 16.133 -4.901 -10.353 1.00 0.12 O ATOM 398 CB PHE A 26 17.721 -7.736 -9.458 1.00 0.19 C ATOM 399 CG PHE A 26 16.198 -7.983 -9.359 1.00 0.23 C ATOM 400 CD1 PHE A 26 15.330 -7.104 -8.697 1.00 1.02 C ATOM 401 CD2 PHE A 26 15.677 -9.111 -9.964 1.00 1.20 C ATOM 402 CE1 PHE A 26 13.980 -7.380 -8.664 1.00 0.98 C ATOM 403 CE2 PHE A 26 14.331 -9.373 -9.925 1.00 1.24 C ATOM 404 CZ PHE A 26 13.489 -8.508 -9.275 1.00 0.32 C ATOM 0 H PHE A 26 19.998 -6.846 -9.939 1.00 0.22 H new ATOM 0 HA PHE A 26 17.554 -6.750 -11.388 1.00 0.21 H new ATOM 0 HB2 PHE A 26 18.229 -8.617 -9.850 1.00 0.19 H new ATOM 0 HB3 PHE A 26 18.143 -7.536 -8.473 1.00 0.19 H new ATOM 0 HD1 PHE A 26 15.716 -6.217 -8.216 1.00 1.02 H new ATOM 0 HD2 PHE A 26 16.338 -9.795 -10.474 1.00 1.20 H new ATOM 0 HE1 PHE A 26 13.306 -6.707 -8.156 1.00 0.98 H new ATOM 0 HE2 PHE A 26 13.936 -10.257 -10.404 1.00 1.24 H new ATOM 0 HZ PHE A 26 12.430 -8.715 -9.243 1.00 0.32 H new ATOM 414 N ILE A 27 17.633 -4.853 -8.720 1.00 0.14 N ATOM 415 CA ILE A 27 16.948 -3.694 -8.090 1.00 0.09 C ATOM 416 C ILE A 27 16.701 -2.628 -9.194 1.00 0.16 C ATOM 417 O ILE A 27 15.572 -2.205 -9.391 1.00 0.19 O ATOM 418 CB ILE A 27 17.897 -3.355 -6.943 1.00 0.11 C ATOM 419 CG1 ILE A 27 17.859 -4.604 -5.951 1.00 0.07 C ATOM 420 CG2 ILE A 27 17.355 -2.125 -6.255 1.00 0.16 C ATOM 421 CD1 ILE A 27 16.698 -4.521 -5.008 1.00 0.20 C ATOM 0 H ILE A 27 18.460 -5.198 -8.233 1.00 0.14 H new ATOM 0 HA ILE A 27 15.949 -3.833 -7.676 1.00 0.09 H new ATOM 0 HB ILE A 27 18.917 -3.162 -7.274 1.00 0.11 H new ATOM 0 HG12 ILE A 27 17.795 -5.526 -6.528 1.00 0.07 H new ATOM 0 HG13 ILE A 27 18.788 -4.647 -5.383 1.00 0.07 H new ATOM 0 HG21 ILE A 27 18.010 -1.853 -5.427 1.00 0.16 H new ATOM 0 HG22 ILE A 27 17.308 -1.301 -6.967 1.00 0.16 H new ATOM 0 HG23 ILE A 27 16.355 -2.332 -5.874 1.00 0.16 H new ATOM 0 HD11 ILE A 27 16.703 -5.388 -4.347 1.00 0.20 H new ATOM 0 HD12 ILE A 27 16.777 -3.611 -4.413 1.00 0.20 H new ATOM 0 HD13 ILE A 27 15.768 -4.504 -5.576 1.00 0.20 H new ATOM 433 N TYR A 28 17.743 -2.216 -9.878 1.00 0.21 N ATOM 434 CA TYR A 28 17.541 -1.209 -10.975 1.00 0.31 C ATOM 435 C TYR A 28 16.391 -1.524 -11.919 1.00 0.33 C ATOM 436 O TYR A 28 15.463 -0.754 -12.011 1.00 0.34 O ATOM 437 CB TYR A 28 18.717 -1.151 -11.819 1.00 0.48 C ATOM 438 CG TYR A 28 18.660 -0.012 -12.858 1.00 0.46 C ATOM 439 CD1 TYR A 28 18.871 1.320 -12.548 1.00 0.51 C ATOM 440 CD2 TYR A 28 18.410 -0.334 -14.163 1.00 0.80 C ATOM 441 CE1 TYR A 28 18.837 2.286 -13.528 1.00 0.53 C ATOM 442 CE2 TYR A 28 18.376 0.638 -15.136 1.00 0.82 C ATOM 443 CZ TYR A 28 18.591 1.953 -14.831 1.00 0.50 C ATOM 444 OH TYR A 28 18.570 2.915 -15.813 1.00 0.53 O ATOM 0 H TYR A 28 18.704 -2.523 -9.731 1.00 0.21 H new ATOM 0 HA TYR A 28 17.330 -0.278 -10.449 1.00 0.31 H new ATOM 0 HB2 TYR A 28 19.600 -1.020 -11.193 1.00 0.48 H new ATOM 0 HB3 TYR A 28 18.832 -2.103 -12.338 1.00 0.48 H new ATOM 0 HD1 TYR A 28 19.065 1.605 -11.525 1.00 0.51 H new ATOM 0 HD2 TYR A 28 18.237 -1.365 -14.434 1.00 0.80 H new ATOM 0 HE1 TYR A 28 19.007 3.320 -13.264 1.00 0.53 H new ATOM 0 HE2 TYR A 28 18.176 0.357 -16.159 1.00 0.82 H new ATOM 0 HH TYR A 28 17.876 2.697 -16.470 1.00 0.53 H new ATOM 454 N SER A 29 16.502 -2.638 -12.596 1.00 0.35 N ATOM 455 CA SER A 29 15.434 -3.032 -13.553 1.00 0.38 C ATOM 456 C SER A 29 14.028 -2.844 -12.994 1.00 0.38 C ATOM 457 O SER A 29 13.232 -2.126 -13.580 1.00 0.41 O ATOM 458 CB SER A 29 15.781 -4.504 -13.992 1.00 0.30 C ATOM 459 OG SER A 29 16.170 -5.302 -12.883 1.00 0.22 O ATOM 0 H SER A 29 17.285 -3.288 -12.526 1.00 0.35 H new ATOM 0 HA SER A 29 15.415 -2.380 -14.426 1.00 0.38 H new ATOM 0 HB2 SER A 29 14.915 -4.953 -14.478 1.00 0.30 H new ATOM 0 HB3 SER A 29 16.585 -4.485 -14.727 1.00 0.30 H new ATOM 0 HG SER A 29 15.758 -4.951 -12.066 1.00 0.22 H new ATOM 465 N HIS A 30 13.732 -3.449 -11.883 1.00 0.36 N ATOM 466 CA HIS A 30 12.372 -3.287 -11.309 1.00 0.37 C ATOM 467 C HIS A 30 12.150 -1.806 -10.882 1.00 0.30 C ATOM 468 O HIS A 30 11.133 -1.220 -11.203 1.00 0.32 O ATOM 469 CB HIS A 30 12.410 -4.346 -10.244 1.00 0.37 C ATOM 470 CG HIS A 30 12.331 -5.655 -11.027 1.00 0.28 C ATOM 471 ND1 HIS A 30 13.310 -6.508 -11.503 1.00 1.08 N flip ATOM 472 CD2 HIS A 30 11.223 -6.185 -11.412 1.00 0.64 C flip ATOM 473 CE1 HIS A 30 12.751 -7.509 -12.153 1.00 0.74 C flip ATOM 474 NE2 HIS A 30 11.465 -7.272 -12.074 1.00 0.40 N flip ATOM 0 H HIS A 30 14.366 -4.044 -11.351 1.00 0.36 H new ATOM 0 HA HIS A 30 11.507 -3.436 -11.955 1.00 0.37 H new ATOM 0 HB2 HIS A 30 13.325 -4.287 -9.654 1.00 0.37 H new ATOM 0 HB3 HIS A 30 11.576 -4.245 -9.549 1.00 0.37 H new ATOM 0 HD2 HIS A 30 10.240 -5.784 -11.213 1.00 0.64 H new ATOM 0 HE1 HIS A 30 13.242 -8.338 -12.641 1.00 0.74 H new ATOM 0 HE2 HIS A 30 10.745 -7.868 -12.482 1.00 0.40 H new ATOM 482 N TYR A 31 13.082 -1.240 -10.174 1.00 0.23 N ATOM 483 CA TYR A 31 13.007 0.187 -9.719 1.00 0.14 C ATOM 484 C TYR A 31 12.595 1.150 -10.886 1.00 0.21 C ATOM 485 O TYR A 31 11.592 1.832 -10.918 1.00 0.22 O ATOM 486 CB TYR A 31 14.394 0.562 -9.191 1.00 0.07 C ATOM 487 CG TYR A 31 14.378 2.001 -8.722 1.00 0.04 C ATOM 488 CD1 TYR A 31 13.450 2.485 -7.816 1.00 1.27 C ATOM 489 CD2 TYR A 31 15.315 2.833 -9.272 1.00 1.36 C ATOM 490 CE1 TYR A 31 13.475 3.821 -7.481 1.00 1.25 C ATOM 491 CE2 TYR A 31 15.344 4.164 -8.941 1.00 1.40 C ATOM 492 CZ TYR A 31 14.423 4.654 -8.050 1.00 0.20 C ATOM 493 OH TYR A 31 14.470 5.991 -7.749 1.00 0.29 O ATOM 0 H TYR A 31 13.930 -1.723 -9.877 1.00 0.23 H new ATOM 0 HA TYR A 31 12.245 0.289 -8.947 1.00 0.14 H new ATOM 0 HB2 TYR A 31 14.673 -0.097 -8.369 1.00 0.07 H new ATOM 0 HB3 TYR A 31 15.141 0.431 -9.973 1.00 0.07 H new ATOM 0 HD1 TYR A 31 12.717 1.824 -7.378 1.00 1.27 H new ATOM 0 HD2 TYR A 31 16.037 2.439 -9.972 1.00 1.36 H new ATOM 0 HE1 TYR A 31 12.758 4.217 -6.777 1.00 1.25 H new ATOM 0 HE2 TYR A 31 16.084 4.819 -9.377 1.00 1.40 H new ATOM 0 HH TYR A 31 15.203 6.412 -8.244 1.00 0.29 H new ATOM 503 N LYS A 32 13.465 1.125 -11.849 1.00 0.21 N ATOM 504 CA LYS A 32 13.398 1.917 -13.109 1.00 0.16 C ATOM 505 C LYS A 32 12.118 1.654 -13.887 1.00 0.17 C ATOM 506 O LYS A 32 11.531 2.569 -14.431 1.00 0.28 O ATOM 507 CB LYS A 32 14.625 1.529 -13.853 1.00 0.16 C ATOM 508 CG LYS A 32 15.862 1.980 -13.050 1.00 0.17 C ATOM 509 CD LYS A 32 16.107 3.526 -13.012 1.00 0.17 C ATOM 510 CE LYS A 32 16.304 4.057 -14.424 1.00 0.54 C ATOM 511 NZ LYS A 32 17.470 5.006 -14.500 1.00 0.50 N ATOM 0 H LYS A 32 14.294 0.533 -11.807 1.00 0.21 H new ATOM 0 HA LYS A 32 13.366 2.991 -12.924 1.00 0.16 H new ATOM 0 HB2 LYS A 32 14.648 0.450 -14.005 1.00 0.16 H new ATOM 0 HB3 LYS A 32 14.628 1.990 -14.841 1.00 0.16 H new ATOM 0 HG2 LYS A 32 15.762 1.619 -12.026 1.00 0.17 H new ATOM 0 HG3 LYS A 32 16.744 1.499 -13.472 1.00 0.17 H new ATOM 0 HD2 LYS A 32 15.260 4.025 -12.542 1.00 0.17 H new ATOM 0 HD3 LYS A 32 16.985 3.749 -12.405 1.00 0.17 H new ATOM 0 HE2 LYS A 32 16.467 3.224 -15.108 1.00 0.54 H new ATOM 0 HE3 LYS A 32 15.398 4.566 -14.752 1.00 0.54 H new ATOM 0 HZ1 LYS A 32 17.212 5.828 -15.083 1.00 0.50 H new ATOM 0 HZ2 LYS A 32 17.720 5.326 -13.543 1.00 0.50 H new ATOM 0 HZ3 LYS A 32 18.285 4.521 -14.927 1.00 0.50 H new ATOM 525 N GLN A 33 11.724 0.413 -13.960 1.00 0.25 N ATOM 526 CA GLN A 33 10.454 0.131 -14.700 1.00 0.18 C ATOM 527 C GLN A 33 9.311 0.816 -13.919 1.00 0.29 C ATOM 528 O GLN A 33 8.555 1.618 -14.448 1.00 0.40 O ATOM 529 CB GLN A 33 10.240 -1.374 -14.780 1.00 0.26 C ATOM 530 CG GLN A 33 10.219 -1.934 -16.240 1.00 0.16 C ATOM 531 CD GLN A 33 9.680 -0.978 -17.299 1.00 1.28 C ATOM 532 OE1 GLN A 33 10.351 -0.060 -17.713 1.00 2.56 O ATOM 533 NE2 GLN A 33 8.495 -1.136 -17.767 1.00 1.34 N ATOM 0 H GLN A 33 12.202 -0.393 -13.558 1.00 0.25 H new ATOM 0 HA GLN A 33 10.488 0.515 -15.720 1.00 0.18 H new ATOM 0 HB2 GLN A 33 11.031 -1.874 -14.221 1.00 0.26 H new ATOM 0 HB3 GLN A 33 9.298 -1.624 -14.292 1.00 0.26 H new ATOM 0 HG2 GLN A 33 11.234 -2.220 -16.516 1.00 0.16 H new ATOM 0 HG3 GLN A 33 9.617 -2.842 -16.254 1.00 0.16 H new ATOM 0 HE21 GLN A 33 7.912 -1.903 -17.432 1.00 1.34 H new ATOM 0 HE22 GLN A 33 8.136 -0.494 -18.474 1.00 1.34 H new ATOM 542 N ALA A 34 9.240 0.479 -12.656 1.00 0.32 N ATOM 543 CA ALA A 34 8.199 1.045 -11.741 1.00 0.38 C ATOM 544 C ALA A 34 8.156 2.595 -11.744 1.00 0.34 C ATOM 545 O ALA A 34 7.106 3.190 -11.864 1.00 0.43 O ATOM 546 CB ALA A 34 8.517 0.515 -10.385 1.00 0.39 C ATOM 0 H ALA A 34 9.876 -0.181 -12.209 1.00 0.32 H new ATOM 0 HA ALA A 34 7.206 0.745 -12.076 1.00 0.38 H new ATOM 0 HB1 ALA A 34 7.790 0.893 -9.667 1.00 0.39 H new ATOM 0 HB2 ALA A 34 8.478 -0.574 -10.402 1.00 0.39 H new ATOM 0 HB3 ALA A 34 9.516 0.838 -10.093 1.00 0.39 H new ATOM 552 N THR A 35 9.296 3.211 -11.636 1.00 0.25 N ATOM 553 CA THR A 35 9.408 4.712 -11.617 1.00 0.24 C ATOM 554 C THR A 35 9.449 5.272 -13.025 1.00 0.24 C ATOM 555 O THR A 35 8.613 6.081 -13.378 1.00 0.25 O ATOM 556 CB THR A 35 10.698 5.113 -10.865 1.00 0.16 C ATOM 557 OG1 THR A 35 11.719 4.424 -11.566 1.00 0.10 O ATOM 558 CG2 THR A 35 10.716 4.485 -9.505 1.00 0.13 C ATOM 0 H THR A 35 10.191 2.728 -11.557 1.00 0.25 H new ATOM 0 HA THR A 35 8.533 5.121 -11.111 1.00 0.24 H new ATOM 0 HB THR A 35 10.793 6.197 -10.797 1.00 0.16 H new ATOM 0 HG1 THR A 35 11.913 3.577 -11.112 1.00 0.10 H new ATOM 0 HG21 THR A 35 11.628 4.773 -8.983 1.00 0.13 H new ATOM 0 HG22 THR A 35 9.850 4.824 -8.936 1.00 0.13 H new ATOM 0 HG23 THR A 35 10.682 3.400 -9.605 1.00 0.13 H new ATOM 566 N VAL A 36 10.361 4.837 -13.841 1.00 0.23 N ATOM 567 CA VAL A 36 10.412 5.402 -15.225 1.00 0.26 C ATOM 568 C VAL A 36 9.357 4.802 -16.154 1.00 0.32 C ATOM 569 O VAL A 36 8.364 5.430 -16.464 1.00 0.39 O ATOM 570 CB VAL A 36 11.820 5.148 -15.867 1.00 0.22 C ATOM 571 CG1 VAL A 36 11.914 5.931 -17.184 1.00 0.23 C ATOM 572 CG2 VAL A 36 12.981 5.509 -14.995 1.00 0.21 C ATOM 0 H VAL A 36 11.063 4.130 -13.623 1.00 0.23 H new ATOM 0 HA VAL A 36 10.213 6.469 -15.120 1.00 0.26 H new ATOM 0 HB VAL A 36 11.891 4.072 -16.025 1.00 0.22 H new ATOM 0 HG11 VAL A 36 12.890 5.761 -17.639 1.00 0.23 H new ATOM 0 HG12 VAL A 36 11.132 5.593 -17.865 1.00 0.23 H new ATOM 0 HG13 VAL A 36 11.787 6.995 -16.985 1.00 0.23 H new ATOM 0 HG21 VAL A 36 13.911 5.299 -15.523 1.00 0.21 H new ATOM 0 HG22 VAL A 36 12.935 6.570 -14.749 1.00 0.21 H new ATOM 0 HG23 VAL A 36 12.944 4.921 -14.078 1.00 0.21 H new ATOM 582 N GLY A 37 9.627 3.584 -16.491 1.00 0.34 N ATOM 583 CA GLY A 37 8.770 2.760 -17.420 1.00 0.46 C ATOM 584 C GLY A 37 9.628 2.387 -18.653 1.00 0.57 C ATOM 585 O GLY A 37 10.709 2.910 -18.829 1.00 1.94 O ATOM 0 H GLY A 37 10.449 3.085 -16.150 1.00 0.34 H new ATOM 0 HA2 GLY A 37 8.416 1.861 -16.916 1.00 0.46 H new ATOM 0 HA3 GLY A 37 7.888 3.323 -17.725 1.00 0.46 H new ATOM 589 N ASP A 38 9.108 1.502 -19.464 1.00 1.13 N ATOM 590 CA ASP A 38 9.755 0.970 -20.718 1.00 1.43 C ATOM 591 C ASP A 38 10.968 1.756 -21.263 1.00 1.60 C ATOM 592 O ASP A 38 10.867 2.474 -22.237 1.00 2.84 O ATOM 593 CB ASP A 38 8.572 0.860 -21.734 1.00 2.14 C ATOM 594 CG ASP A 38 7.635 -0.264 -21.343 1.00 2.43 C ATOM 595 OD1 ASP A 38 7.362 -0.336 -20.164 1.00 2.98 O ATOM 596 OD2 ASP A 38 7.254 -0.984 -22.238 1.00 2.64 O ATOM 0 H ASP A 38 8.189 1.093 -19.296 1.00 1.13 H new ATOM 0 HA ASP A 38 10.238 0.015 -20.511 1.00 1.43 H new ATOM 0 HB2 ASP A 38 8.025 1.802 -21.766 1.00 2.14 H new ATOM 0 HB3 ASP A 38 8.962 0.683 -22.736 1.00 2.14 H new ATOM 601 N ILE A 39 12.091 1.537 -20.628 1.00 1.16 N ATOM 602 CA ILE A 39 13.405 2.214 -20.960 1.00 1.04 C ATOM 603 C ILE A 39 13.531 3.107 -22.240 1.00 1.14 C ATOM 604 O ILE A 39 13.409 2.673 -23.373 1.00 1.16 O ATOM 605 CB ILE A 39 14.474 1.080 -20.939 1.00 0.85 C ATOM 606 CG1 ILE A 39 15.888 1.707 -20.908 1.00 0.78 C ATOM 607 CG2 ILE A 39 14.333 0.151 -22.143 1.00 0.85 C ATOM 608 CD1 ILE A 39 16.871 0.618 -20.516 1.00 0.56 C ATOM 0 H ILE A 39 12.163 0.882 -19.849 1.00 1.16 H new ATOM 0 HA ILE A 39 13.535 2.992 -20.207 1.00 1.04 H new ATOM 0 HB ILE A 39 14.318 0.479 -20.043 1.00 0.85 H new ATOM 0 HG12 ILE A 39 16.144 2.119 -21.884 1.00 0.78 H new ATOM 0 HG13 ILE A 39 15.925 2.530 -20.194 1.00 0.78 H new ATOM 0 HG21 ILE A 39 15.095 -0.627 -22.094 1.00 0.85 H new ATOM 0 HG22 ILE A 39 13.345 -0.308 -22.134 1.00 0.85 H new ATOM 0 HG23 ILE A 39 14.458 0.724 -23.062 1.00 0.85 H new ATOM 0 HD11 ILE A 39 17.879 1.031 -20.486 1.00 0.56 H new ATOM 0 HD12 ILE A 39 16.609 0.228 -19.532 1.00 0.56 H new ATOM 0 HD13 ILE A 39 16.831 -0.189 -21.248 1.00 0.56 H new ATOM 620 N ASN A 40 13.771 4.362 -21.967 1.00 1.22 N ATOM 621 CA ASN A 40 13.941 5.435 -23.004 1.00 1.36 C ATOM 622 C ASN A 40 15.338 6.091 -22.866 1.00 1.34 C ATOM 623 O ASN A 40 15.545 7.253 -23.156 1.00 1.43 O ATOM 624 CB ASN A 40 12.816 6.451 -22.762 1.00 1.32 C ATOM 625 CG ASN A 40 12.783 6.825 -21.275 1.00 1.07 C ATOM 626 OD1 ASN A 40 13.786 6.962 -20.607 1.00 1.04 O ATOM 627 ND2 ASN A 40 11.655 7.008 -20.678 1.00 1.19 N ATOM 0 H ASN A 40 13.862 4.709 -21.012 1.00 1.22 H new ATOM 0 HA ASN A 40 13.881 5.035 -24.016 1.00 1.36 H new ATOM 0 HB2 ASN A 40 12.978 7.342 -23.369 1.00 1.32 H new ATOM 0 HB3 ASN A 40 11.858 6.029 -23.064 1.00 1.32 H new ATOM 0 HD21 ASN A 40 11.636 7.256 -19.689 1.00 1.19 H new ATOM 0 HD22 ASN A 40 10.782 6.905 -21.195 1.00 1.19 H new ATOM 634 N THR A 41 16.262 5.285 -22.430 1.00 1.24 N ATOM 635 CA THR A 41 17.679 5.746 -22.223 1.00 1.25 C ATOM 636 C THR A 41 18.653 4.890 -23.029 1.00 1.34 C ATOM 637 O THR A 41 18.253 3.921 -23.644 1.00 1.38 O ATOM 638 CB THR A 41 18.066 5.608 -20.738 1.00 0.97 C ATOM 639 OG1 THR A 41 18.232 4.204 -20.578 1.00 0.64 O ATOM 640 CG2 THR A 41 16.888 5.802 -19.764 1.00 0.83 C ATOM 0 H THR A 41 16.100 4.304 -22.201 1.00 1.24 H new ATOM 0 HA THR A 41 17.736 6.785 -22.547 1.00 1.25 H new ATOM 0 HB THR A 41 18.879 6.306 -20.540 1.00 0.97 H new ATOM 0 HG1 THR A 41 19.184 3.979 -20.631 1.00 0.64 H new ATOM 0 HG21 THR A 41 17.241 5.690 -18.739 1.00 0.83 H new ATOM 0 HG22 THR A 41 16.467 6.799 -19.896 1.00 0.83 H new ATOM 0 HG23 THR A 41 16.121 5.055 -19.967 1.00 0.83 H new ATOM 798 N GLY A 51 26.503 0.557 -16.332 1.00 0.81 N ATOM 799 CA GLY A 51 25.644 1.200 -17.348 1.00 0.93 C ATOM 800 C GLY A 51 24.757 0.204 -18.043 1.00 0.84 C ATOM 801 O GLY A 51 23.564 0.408 -18.133 1.00 0.84 O ATOM 0 HA2 GLY A 51 25.029 1.964 -16.873 1.00 0.93 H new ATOM 0 HA3 GLY A 51 26.269 1.706 -18.084 1.00 0.93 H new ATOM 805 N LYS A 52 25.307 -0.890 -18.502 1.00 0.83 N ATOM 806 CA LYS A 52 24.438 -1.820 -19.183 1.00 0.85 C ATOM 807 C LYS A 52 23.758 -2.526 -18.075 1.00 0.57 C ATOM 808 O LYS A 52 22.562 -2.506 -18.105 1.00 0.63 O ATOM 809 CB LYS A 52 25.405 -2.579 -20.062 1.00 0.85 C ATOM 810 CG LYS A 52 24.968 -3.902 -20.418 1.00 2.78 C ATOM 811 CD LYS A 52 25.335 -4.698 -19.141 1.00 4.09 C ATOM 812 CE LYS A 52 25.580 -6.182 -19.448 1.00 5.28 C ATOM 813 NZ LYS A 52 24.250 -6.783 -19.803 1.00 7.01 N ATOM 0 H LYS A 52 26.290 -1.152 -18.427 1.00 0.83 H new ATOM 0 HA LYS A 52 23.637 -1.477 -19.838 1.00 0.85 H new ATOM 0 HB2 LYS A 52 25.574 -2.007 -20.974 1.00 0.85 H new ATOM 0 HB3 LYS A 52 26.364 -2.652 -19.549 1.00 0.85 H new ATOM 0 HG2 LYS A 52 23.900 -3.938 -20.632 1.00 2.78 H new ATOM 0 HG3 LYS A 52 25.483 -4.281 -21.301 1.00 2.78 H new ATOM 0 HD2 LYS A 52 26.228 -4.268 -18.688 1.00 4.09 H new ATOM 0 HD3 LYS A 52 24.531 -4.605 -18.411 1.00 4.09 H new ATOM 0 HE2 LYS A 52 26.286 -6.294 -20.271 1.00 5.28 H new ATOM 0 HE3 LYS A 52 26.014 -6.688 -18.585 1.00 5.28 H new ATOM 0 HZ1 LYS A 52 24.318 -7.820 -19.770 1.00 7.01 H new ATOM 0 HZ2 LYS A 52 23.531 -6.462 -19.123 1.00 7.01 H new ATOM 0 HZ3 LYS A 52 23.979 -6.484 -20.761 1.00 7.01 H new ATOM 827 N ALA A 53 24.448 -3.104 -17.140 1.00 0.43 N ATOM 828 CA ALA A 53 23.706 -3.807 -16.050 1.00 0.53 C ATOM 829 C ALA A 53 22.360 -3.147 -15.736 1.00 0.62 C ATOM 830 O ALA A 53 21.342 -3.805 -15.804 1.00 0.83 O ATOM 831 CB ALA A 53 24.637 -3.836 -14.871 1.00 0.44 C ATOM 0 H ALA A 53 25.466 -3.125 -17.076 1.00 0.43 H new ATOM 0 HA ALA A 53 23.434 -4.819 -16.349 1.00 0.53 H new ATOM 0 HB1 ALA A 53 24.151 -4.340 -14.036 1.00 0.44 H new ATOM 0 HB2 ALA A 53 25.547 -4.373 -15.139 1.00 0.44 H new ATOM 0 HB3 ALA A 53 24.890 -2.816 -14.582 1.00 0.44 H new ATOM 837 N LYS A 54 22.421 -1.886 -15.435 1.00 0.54 N ATOM 838 CA LYS A 54 21.153 -1.157 -15.138 1.00 0.60 C ATOM 839 C LYS A 54 20.331 -1.152 -16.442 1.00 0.43 C ATOM 840 O LYS A 54 19.273 -1.752 -16.486 1.00 0.27 O ATOM 841 CB LYS A 54 21.388 0.364 -14.706 1.00 0.83 C ATOM 842 CG LYS A 54 22.753 0.932 -15.023 1.00 0.84 C ATOM 843 CD LYS A 54 23.609 1.045 -13.771 1.00 0.52 C ATOM 844 CE LYS A 54 24.672 2.118 -14.005 1.00 1.40 C ATOM 845 NZ LYS A 54 23.980 3.427 -14.145 1.00 1.22 N ATOM 0 H LYS A 54 23.275 -1.331 -15.381 1.00 0.54 H new ATOM 0 HA LYS A 54 20.656 -1.657 -14.307 1.00 0.60 H new ATOM 0 HB2 LYS A 54 20.635 0.982 -15.195 1.00 0.83 H new ATOM 0 HB3 LYS A 54 21.220 0.448 -13.632 1.00 0.83 H new ATOM 0 HG2 LYS A 54 23.254 0.295 -15.752 1.00 0.84 H new ATOM 0 HG3 LYS A 54 22.643 1.915 -15.481 1.00 0.84 H new ATOM 0 HD2 LYS A 54 22.991 1.305 -12.912 1.00 0.52 H new ATOM 0 HD3 LYS A 54 24.080 0.088 -13.547 1.00 0.52 H new ATOM 0 HE2 LYS A 54 25.375 2.146 -13.173 1.00 1.40 H new ATOM 0 HE3 LYS A 54 25.249 1.894 -14.902 1.00 1.40 H new ATOM 0 HZ1 LYS A 54 24.560 4.174 -13.712 1.00 1.22 H new ATOM 0 HZ2 LYS A 54 23.838 3.639 -15.153 1.00 1.22 H new ATOM 0 HZ3 LYS A 54 23.057 3.385 -13.667 1.00 1.22 H new ATOM 859 N TRP A 55 20.842 -0.515 -17.469 1.00 0.48 N ATOM 860 CA TRP A 55 20.122 -0.439 -18.775 1.00 0.40 C ATOM 861 C TRP A 55 19.518 -1.812 -19.157 1.00 0.41 C ATOM 862 O TRP A 55 18.324 -2.019 -19.177 1.00 0.44 O ATOM 863 CB TRP A 55 21.161 0.058 -19.802 1.00 0.44 C ATOM 864 CG TRP A 55 20.417 0.742 -20.916 1.00 0.54 C ATOM 865 CD1 TRP A 55 20.048 2.032 -20.832 1.00 0.66 C ATOM 866 CD2 TRP A 55 19.992 0.215 -22.074 1.00 0.65 C ATOM 867 NE1 TRP A 55 19.401 2.215 -21.963 1.00 0.78 N ATOM 868 CE2 TRP A 55 19.315 1.181 -22.781 1.00 0.82 C ATOM 869 CE3 TRP A 55 20.143 -1.053 -22.591 1.00 0.68 C ATOM 870 CZ2 TRP A 55 18.785 0.882 -24.010 1.00 1.01 C ATOM 871 CZ3 TRP A 55 19.614 -1.356 -23.824 1.00 0.90 C ATOM 872 CH2 TRP A 55 18.933 -0.385 -24.535 1.00 1.06 C ATOM 0 H TRP A 55 21.743 -0.037 -17.454 1.00 0.48 H new ATOM 0 HA TRP A 55 19.273 0.244 -18.733 1.00 0.40 H new ATOM 0 HB2 TRP A 55 21.863 0.747 -19.332 1.00 0.44 H new ATOM 0 HB3 TRP A 55 21.745 -0.777 -20.189 1.00 0.44 H new ATOM 0 HD1 TRP A 55 20.235 2.739 -20.037 1.00 0.66 H new ATOM 0 HE1 TRP A 55 18.984 3.116 -22.198 1.00 0.78 H new ATOM 0 HE3 TRP A 55 20.675 -1.807 -22.030 1.00 0.68 H new ATOM 0 HZ2 TRP A 55 18.252 1.638 -24.567 1.00 1.01 H new ATOM 0 HZ3 TRP A 55 19.730 -2.348 -24.235 1.00 0.90 H new ATOM 0 HH2 TRP A 55 18.516 -0.619 -25.503 1.00 1.06 H new ATOM 883 N ASP A 56 20.416 -2.707 -19.429 1.00 0.42 N ATOM 884 CA ASP A 56 20.151 -4.113 -19.825 1.00 0.47 C ATOM 885 C ASP A 56 19.089 -4.737 -18.886 1.00 0.48 C ATOM 886 O ASP A 56 18.023 -5.112 -19.342 1.00 0.59 O ATOM 887 CB ASP A 56 21.603 -4.738 -19.811 1.00 0.41 C ATOM 888 CG ASP A 56 21.954 -5.236 -21.189 1.00 0.82 C ATOM 889 OD1 ASP A 56 21.935 -4.407 -22.075 1.00 1.30 O ATOM 890 OD2 ASP A 56 22.246 -6.411 -21.284 1.00 1.69 O ATOM 0 H ASP A 56 21.413 -2.497 -19.388 1.00 0.42 H new ATOM 0 HA ASP A 56 19.696 -4.278 -20.801 1.00 0.47 H new ATOM 0 HB2 ASP A 56 22.328 -3.991 -19.488 1.00 0.41 H new ATOM 0 HB3 ASP A 56 21.650 -5.558 -19.094 1.00 0.41 H new ATOM 895 N ALA A 57 19.387 -4.831 -17.616 1.00 0.43 N ATOM 896 CA ALA A 57 18.426 -5.407 -16.635 1.00 0.48 C ATOM 897 C ALA A 57 17.013 -4.806 -16.820 1.00 0.40 C ATOM 898 O ALA A 57 16.013 -5.485 -16.884 1.00 0.39 O ATOM 899 CB ALA A 57 18.985 -5.108 -15.210 1.00 0.61 C ATOM 0 H ALA A 57 20.273 -4.526 -17.213 1.00 0.43 H new ATOM 0 HA ALA A 57 18.326 -6.482 -16.785 1.00 0.48 H new ATOM 0 HB1 ALA A 57 18.307 -5.515 -14.460 1.00 0.61 H new ATOM 0 HB2 ALA A 57 19.967 -5.569 -15.100 1.00 0.61 H new ATOM 0 HB3 ALA A 57 19.073 -4.030 -15.072 1.00 0.61 H new ATOM 905 N TRP A 58 16.963 -3.501 -16.889 1.00 0.39 N ATOM 906 CA TRP A 58 15.643 -2.781 -17.061 1.00 0.37 C ATOM 907 C TRP A 58 14.999 -3.092 -18.421 1.00 0.46 C ATOM 908 O TRP A 58 13.862 -3.492 -18.547 1.00 0.54 O ATOM 909 CB TRP A 58 15.976 -1.296 -16.865 1.00 0.29 C ATOM 910 CG TRP A 58 14.795 -0.354 -17.097 1.00 0.26 C ATOM 911 CD1 TRP A 58 13.478 -0.695 -17.082 1.00 0.30 C ATOM 912 CD2 TRP A 58 14.923 0.971 -17.343 1.00 0.21 C ATOM 913 NE1 TRP A 58 12.905 0.480 -17.326 1.00 0.27 N ATOM 914 CE2 TRP A 58 13.683 1.530 -17.496 1.00 0.22 C ATOM 915 CE3 TRP A 58 16.038 1.782 -17.446 1.00 0.19 C ATOM 916 CZ2 TRP A 58 13.551 2.875 -17.747 1.00 0.17 C ATOM 917 CZ3 TRP A 58 15.904 3.130 -17.695 1.00 0.17 C ATOM 918 CH2 TRP A 58 14.666 3.677 -17.848 1.00 0.14 C ATOM 0 H TRP A 58 17.778 -2.891 -16.834 1.00 0.39 H new ATOM 0 HA TRP A 58 14.893 -3.105 -16.340 1.00 0.37 H new ATOM 0 HB2 TRP A 58 16.350 -1.150 -15.852 1.00 0.29 H new ATOM 0 HB3 TRP A 58 16.783 -1.023 -17.545 1.00 0.29 H new ATOM 0 HD1 TRP A 58 13.021 -1.660 -16.917 1.00 0.30 H new ATOM 0 HE1 TRP A 58 11.890 0.566 -17.380 1.00 0.27 H new ATOM 0 HE3 TRP A 58 17.023 1.355 -17.330 1.00 0.19 H new ATOM 0 HZ2 TRP A 58 12.568 3.305 -17.866 1.00 0.17 H new ATOM 0 HZ3 TRP A 58 16.782 3.754 -17.769 1.00 0.17 H new ATOM 0 HH2 TRP A 58 14.559 4.733 -18.047 1.00 0.14 H new ATOM 929 N ASN A 59 15.780 -2.865 -19.414 1.00 0.47 N ATOM 930 CA ASN A 59 15.489 -3.067 -20.856 1.00 0.49 C ATOM 931 C ASN A 59 14.836 -4.440 -21.083 1.00 0.54 C ATOM 932 O ASN A 59 14.056 -4.624 -22.000 1.00 0.68 O ATOM 933 CB ASN A 59 16.858 -2.908 -21.486 1.00 0.45 C ATOM 934 CG ASN A 59 16.907 -2.964 -22.976 1.00 0.48 C ATOM 935 OD1 ASN A 59 16.225 -2.274 -23.701 1.00 0.49 O ATOM 936 ND2 ASN A 59 17.737 -3.793 -23.486 1.00 0.86 N ATOM 0 H ASN A 59 16.723 -2.504 -19.268 1.00 0.47 H new ATOM 0 HA ASN A 59 14.770 -2.372 -21.290 1.00 0.49 H new ATOM 0 HB2 ASN A 59 17.274 -1.953 -21.165 1.00 0.45 H new ATOM 0 HB3 ASN A 59 17.509 -3.688 -21.092 1.00 0.45 H new ATOM 0 HD21 ASN A 59 17.822 -3.871 -24.499 1.00 0.86 H new ATOM 0 HD22 ASN A 59 18.313 -4.376 -22.879 1.00 0.86 H new ATOM 943 N GLU A 60 15.204 -5.322 -20.186 1.00 0.50 N ATOM 944 CA GLU A 60 14.730 -6.742 -20.174 1.00 0.73 C ATOM 945 C GLU A 60 13.219 -6.773 -19.816 1.00 0.75 C ATOM 946 O GLU A 60 12.419 -7.539 -20.310 1.00 0.92 O ATOM 947 CB GLU A 60 15.677 -7.424 -19.150 1.00 0.80 C ATOM 948 CG GLU A 60 15.642 -8.968 -19.073 1.00 1.23 C ATOM 949 CD GLU A 60 16.815 -9.392 -18.169 1.00 1.98 C ATOM 950 OE1 GLU A 60 16.587 -9.467 -16.975 1.00 3.07 O ATOM 951 OE2 GLU A 60 17.882 -9.611 -18.721 1.00 2.03 O ATOM 0 H GLU A 60 15.846 -5.102 -19.424 1.00 0.50 H new ATOM 0 HA GLU A 60 14.780 -7.270 -21.126 1.00 0.73 H new ATOM 0 HB2 GLU A 60 16.698 -7.121 -19.380 1.00 0.80 H new ATOM 0 HB3 GLU A 60 15.443 -7.031 -18.160 1.00 0.80 H new ATOM 0 HG2 GLU A 60 14.693 -9.314 -18.663 1.00 1.23 H new ATOM 0 HG3 GLU A 60 15.740 -9.407 -20.066 1.00 1.23 H new ATOM 958 N LEU A 61 12.899 -5.882 -18.926 1.00 0.59 N ATOM 959 CA LEU A 61 11.535 -5.646 -18.372 1.00 0.60 C ATOM 960 C LEU A 61 10.601 -4.854 -19.259 1.00 0.83 C ATOM 961 O LEU A 61 9.409 -5.097 -19.240 1.00 1.09 O ATOM 962 CB LEU A 61 11.608 -4.855 -17.111 1.00 0.31 C ATOM 963 CG LEU A 61 12.647 -5.326 -16.157 1.00 0.31 C ATOM 964 CD1 LEU A 61 12.530 -4.411 -15.007 1.00 0.42 C ATOM 965 CD2 LEU A 61 12.435 -6.729 -15.779 1.00 0.60 C ATOM 0 H LEU A 61 13.594 -5.252 -18.526 1.00 0.59 H new ATOM 0 HA LEU A 61 11.145 -6.656 -18.246 1.00 0.60 H new ATOM 0 HB2 LEU A 61 11.805 -3.812 -17.360 1.00 0.31 H new ATOM 0 HB3 LEU A 61 10.636 -4.887 -16.618 1.00 0.31 H new ATOM 0 HG LEU A 61 13.648 -5.306 -16.587 1.00 0.31 H new ATOM 0 HD11 LEU A 61 13.263 -4.685 -14.248 1.00 0.42 H new ATOM 0 HD12 LEU A 61 12.713 -3.388 -15.336 1.00 0.42 H new ATOM 0 HD13 LEU A 61 11.527 -4.483 -14.585 1.00 0.42 H new ATOM 0 HD21 LEU A 61 13.213 -7.039 -15.081 1.00 0.60 H new ATOM 0 HD22 LEU A 61 11.459 -6.835 -15.305 1.00 0.60 H new ATOM 0 HD23 LEU A 61 12.476 -7.356 -16.670 1.00 0.60 H new ATOM 977 N LYS A 62 11.163 -3.909 -19.973 1.00 0.78 N ATOM 978 CA LYS A 62 10.360 -3.042 -20.901 1.00 1.12 C ATOM 979 C LYS A 62 9.214 -3.941 -21.452 1.00 1.73 C ATOM 980 O LYS A 62 9.404 -5.016 -21.986 1.00 3.05 O ATOM 981 CB LYS A 62 11.234 -2.559 -22.027 1.00 0.82 C ATOM 982 CG LYS A 62 10.390 -1.601 -22.923 1.00 1.11 C ATOM 983 CD LYS A 62 10.908 -1.395 -24.395 1.00 1.14 C ATOM 984 CE LYS A 62 12.125 -0.464 -24.523 1.00 0.73 C ATOM 985 NZ LYS A 62 11.777 0.916 -24.029 1.00 1.27 N ATOM 0 H LYS A 62 12.160 -3.696 -19.954 1.00 0.78 H new ATOM 0 HA LYS A 62 9.961 -2.165 -20.391 1.00 1.12 H new ATOM 0 HB2 LYS A 62 12.108 -2.040 -21.634 1.00 0.82 H new ATOM 0 HB3 LYS A 62 11.601 -3.402 -22.612 1.00 0.82 H new ATOM 0 HG2 LYS A 62 9.370 -1.983 -22.968 1.00 1.11 H new ATOM 0 HG3 LYS A 62 10.344 -0.627 -22.436 1.00 1.11 H new ATOM 0 HD2 LYS A 62 11.166 -2.367 -24.814 1.00 1.14 H new ATOM 0 HD3 LYS A 62 10.095 -0.993 -24.999 1.00 1.14 H new ATOM 0 HE2 LYS A 62 12.960 -0.864 -23.949 1.00 0.73 H new ATOM 0 HE3 LYS A 62 12.448 -0.416 -25.563 1.00 0.73 H new ATOM 0 HZ1 LYS A 62 12.572 1.298 -23.477 1.00 1.27 H new ATOM 0 HZ2 LYS A 62 11.589 1.538 -24.841 1.00 1.27 H new ATOM 0 HZ3 LYS A 62 10.930 0.866 -23.427 1.00 1.27 H new ATOM 999 N GLY A 63 8.074 -3.386 -21.288 1.00 1.01 N ATOM 1000 CA GLY A 63 6.770 -4.017 -21.682 1.00 1.32 C ATOM 1001 C GLY A 63 5.985 -4.274 -20.370 1.00 0.98 C ATOM 1002 O GLY A 63 4.778 -4.159 -20.342 1.00 0.85 O ATOM 0 H GLY A 63 7.965 -2.461 -20.872 1.00 1.01 H new ATOM 0 HA2 GLY A 63 6.208 -3.361 -22.347 1.00 1.32 H new ATOM 0 HA3 GLY A 63 6.938 -4.949 -22.221 1.00 1.32 H new ATOM 1006 N THR A 64 6.693 -4.629 -19.322 1.00 1.26 N ATOM 1007 CA THR A 64 6.070 -4.911 -17.949 1.00 0.99 C ATOM 1008 C THR A 64 5.521 -3.637 -17.298 1.00 0.74 C ATOM 1009 O THR A 64 6.107 -2.581 -17.423 1.00 1.06 O ATOM 1010 CB THR A 64 7.105 -5.478 -16.914 1.00 1.05 C ATOM 1011 OG1 THR A 64 7.229 -6.867 -17.188 1.00 1.24 O ATOM 1012 CG2 THR A 64 6.643 -5.388 -15.390 1.00 0.80 C ATOM 0 H THR A 64 7.706 -4.743 -19.344 1.00 1.26 H new ATOM 0 HA THR A 64 5.285 -5.637 -18.159 1.00 0.99 H new ATOM 0 HB THR A 64 8.015 -4.887 -17.023 1.00 1.05 H new ATOM 0 HG1 THR A 64 7.870 -7.267 -16.564 1.00 1.24 H new ATOM 0 HG21 THR A 64 7.421 -5.803 -14.749 1.00 0.80 H new ATOM 0 HG22 THR A 64 6.471 -4.345 -15.123 1.00 0.80 H new ATOM 0 HG23 THR A 64 5.721 -5.954 -15.255 1.00 0.80 H new ATOM 1020 N SER A 65 4.435 -3.762 -16.588 1.00 0.40 N ATOM 1021 CA SER A 65 3.824 -2.579 -15.917 1.00 0.11 C ATOM 1022 C SER A 65 4.432 -2.220 -14.541 1.00 0.13 C ATOM 1023 O SER A 65 4.848 -3.026 -13.729 1.00 0.22 O ATOM 1024 CB SER A 65 2.278 -2.863 -15.813 1.00 0.40 C ATOM 1025 OG SER A 65 2.101 -4.277 -15.944 1.00 0.58 O ATOM 0 H SER A 65 3.939 -4.641 -16.442 1.00 0.40 H new ATOM 0 HA SER A 65 4.037 -1.696 -16.519 1.00 0.11 H new ATOM 0 HB2 SER A 65 1.885 -2.512 -14.859 1.00 0.40 H new ATOM 0 HB3 SER A 65 1.735 -2.333 -16.595 1.00 0.40 H new ATOM 0 HG SER A 65 2.100 -4.690 -15.055 1.00 0.58 H new ATOM 1031 N LYS A 66 4.467 -0.933 -14.331 1.00 0.14 N ATOM 1032 CA LYS A 66 5.012 -0.316 -13.080 1.00 0.28 C ATOM 1033 C LYS A 66 4.880 -0.979 -11.693 1.00 0.31 C ATOM 1034 O LYS A 66 5.789 -0.962 -10.886 1.00 0.38 O ATOM 1035 CB LYS A 66 4.428 1.111 -13.034 1.00 0.28 C ATOM 1036 CG LYS A 66 5.191 1.902 -14.105 1.00 0.25 C ATOM 1037 CD LYS A 66 4.844 3.404 -14.167 1.00 0.30 C ATOM 1038 CE LYS A 66 5.886 3.988 -15.138 1.00 0.88 C ATOM 1039 NZ LYS A 66 7.168 4.067 -14.381 1.00 1.08 N ATOM 0 H LYS A 66 4.124 -0.250 -15.007 1.00 0.14 H new ATOM 0 HA LYS A 66 6.090 -0.425 -13.202 1.00 0.28 H new ATOM 0 HB2 LYS A 66 3.358 1.104 -13.240 1.00 0.28 H new ATOM 0 HB3 LYS A 66 4.560 1.557 -12.048 1.00 0.28 H new ATOM 0 HG2 LYS A 66 6.260 1.797 -13.922 1.00 0.25 H new ATOM 0 HG3 LYS A 66 4.990 1.456 -15.079 1.00 0.25 H new ATOM 0 HD2 LYS A 66 3.828 3.564 -14.528 1.00 0.30 H new ATOM 0 HD3 LYS A 66 4.910 3.870 -13.184 1.00 0.30 H new ATOM 0 HE2 LYS A 66 5.993 3.355 -16.019 1.00 0.88 H new ATOM 0 HE3 LYS A 66 5.581 4.974 -15.489 1.00 0.88 H new ATOM 0 HZ1 LYS A 66 7.650 4.960 -14.607 1.00 1.08 H new ATOM 0 HZ2 LYS A 66 6.972 4.028 -13.360 1.00 1.08 H new ATOM 0 HZ3 LYS A 66 7.778 3.268 -14.647 1.00 1.08 H new ATOM 1053 N GLU A 67 3.743 -1.550 -11.498 1.00 0.30 N ATOM 1054 CA GLU A 67 3.374 -2.240 -10.228 1.00 0.33 C ATOM 1055 C GLU A 67 3.953 -3.647 -10.151 1.00 0.31 C ATOM 1056 O GLU A 67 4.452 -4.056 -9.123 1.00 0.30 O ATOM 1057 CB GLU A 67 1.864 -2.182 -10.210 1.00 0.45 C ATOM 1058 CG GLU A 67 1.433 -0.727 -9.688 1.00 0.50 C ATOM 1059 CD GLU A 67 1.647 -0.475 -8.185 1.00 2.18 C ATOM 1060 OE1 GLU A 67 1.943 -1.405 -7.454 1.00 3.19 O ATOM 1061 OE2 GLU A 67 1.490 0.687 -7.861 1.00 2.70 O ATOM 0 H GLU A 67 3.006 -1.573 -12.202 1.00 0.30 H new ATOM 0 HA GLU A 67 3.792 -1.765 -9.341 1.00 0.33 H new ATOM 0 HB2 GLU A 67 1.463 -2.364 -11.207 1.00 0.45 H new ATOM 0 HB3 GLU A 67 1.460 -2.956 -9.558 1.00 0.45 H new ATOM 0 HG2 GLU A 67 1.993 0.022 -10.248 1.00 0.50 H new ATOM 0 HG3 GLU A 67 0.379 -0.575 -9.918 1.00 0.50 H new ATOM 1068 N ASP A 68 3.889 -4.380 -11.229 1.00 0.30 N ATOM 1069 CA ASP A 68 4.451 -5.760 -11.239 1.00 0.29 C ATOM 1070 C ASP A 68 5.925 -5.558 -10.929 1.00 0.24 C ATOM 1071 O ASP A 68 6.554 -6.234 -10.129 1.00 0.20 O ATOM 1072 CB ASP A 68 4.136 -6.246 -12.617 1.00 0.40 C ATOM 1073 CG ASP A 68 2.635 -6.343 -12.733 1.00 0.78 C ATOM 1074 OD1 ASP A 68 2.108 -7.223 -12.074 1.00 0.81 O ATOM 1075 OD2 ASP A 68 2.127 -5.523 -13.468 1.00 1.49 O ATOM 0 H ASP A 68 3.469 -4.080 -12.109 1.00 0.30 H new ATOM 0 HA ASP A 68 4.069 -6.493 -10.528 1.00 0.29 H new ATOM 0 HB2 ASP A 68 4.535 -5.561 -13.365 1.00 0.40 H new ATOM 0 HB3 ASP A 68 4.598 -7.217 -12.796 1.00 0.40 H new ATOM 1080 N ALA A 69 6.410 -4.578 -11.637 1.00 0.29 N ATOM 1081 CA ALA A 69 7.826 -4.171 -11.485 1.00 0.31 C ATOM 1082 C ALA A 69 7.975 -3.977 -9.967 1.00 0.24 C ATOM 1083 O ALA A 69 8.819 -4.624 -9.388 1.00 0.30 O ATOM 1084 CB ALA A 69 8.045 -2.873 -12.227 1.00 0.38 C ATOM 0 H ALA A 69 5.878 -4.039 -12.320 1.00 0.29 H new ATOM 0 HA ALA A 69 8.546 -4.887 -11.882 1.00 0.31 H new ATOM 0 HB1 ALA A 69 9.085 -2.564 -12.121 1.00 0.38 H new ATOM 0 HB2 ALA A 69 7.814 -3.014 -13.283 1.00 0.38 H new ATOM 0 HB3 ALA A 69 7.394 -2.103 -11.813 1.00 0.38 H new ATOM 1090 N MET A 70 7.174 -3.122 -9.372 1.00 0.17 N ATOM 1091 CA MET A 70 7.258 -2.893 -7.903 1.00 0.11 C ATOM 1092 C MET A 70 7.294 -4.196 -7.114 1.00 0.10 C ATOM 1093 O MET A 70 8.264 -4.428 -6.436 1.00 0.23 O ATOM 1094 CB MET A 70 6.043 -2.098 -7.328 1.00 0.08 C ATOM 1095 CG MET A 70 5.963 -0.637 -7.730 1.00 0.22 C ATOM 1096 SD MET A 70 4.922 0.339 -6.614 1.00 0.71 S ATOM 1097 CE MET A 70 4.679 1.748 -7.715 1.00 0.38 C ATOM 0 H MET A 70 6.461 -2.571 -9.851 1.00 0.17 H new ATOM 0 HA MET A 70 8.181 -2.324 -7.789 1.00 0.11 H new ATOM 0 HB2 MET A 70 5.125 -2.594 -7.645 1.00 0.08 H new ATOM 0 HB3 MET A 70 6.077 -2.155 -6.240 1.00 0.08 H new ATOM 0 HG2 MET A 70 6.967 -0.214 -7.747 1.00 0.22 H new ATOM 0 HG3 MET A 70 5.569 -0.564 -8.744 1.00 0.22 H new ATOM 0 HE1 MET A 70 4.052 2.491 -7.222 1.00 0.38 H new ATOM 0 HE2 MET A 70 5.645 2.191 -7.957 1.00 0.38 H new ATOM 0 HE3 MET A 70 4.193 1.414 -8.632 1.00 0.38 H new ATOM 1107 N LYS A 71 6.255 -4.977 -7.233 1.00 0.13 N ATOM 1108 CA LYS A 71 6.150 -6.279 -6.514 1.00 0.15 C ATOM 1109 C LYS A 71 7.518 -6.951 -6.340 1.00 0.09 C ATOM 1110 O LYS A 71 7.933 -7.223 -5.234 1.00 0.22 O ATOM 1111 CB LYS A 71 5.147 -7.096 -7.338 1.00 0.32 C ATOM 1112 CG LYS A 71 3.703 -6.718 -6.878 1.00 1.07 C ATOM 1113 CD LYS A 71 2.677 -6.876 -8.047 1.00 1.72 C ATOM 1114 CE LYS A 71 2.762 -8.264 -8.689 1.00 1.56 C ATOM 1115 NZ LYS A 71 1.817 -8.339 -9.851 1.00 2.73 N ATOM 0 H LYS A 71 5.449 -4.758 -7.818 1.00 0.13 H new ATOM 0 HA LYS A 71 5.801 -6.169 -5.487 1.00 0.15 H new ATOM 0 HB2 LYS A 71 5.272 -6.889 -8.401 1.00 0.32 H new ATOM 0 HB3 LYS A 71 5.322 -8.163 -7.198 1.00 0.32 H new ATOM 0 HG2 LYS A 71 3.407 -7.353 -6.043 1.00 1.07 H new ATOM 0 HG3 LYS A 71 3.691 -5.690 -6.517 1.00 1.07 H new ATOM 0 HD2 LYS A 71 1.668 -6.710 -7.671 1.00 1.72 H new ATOM 0 HD3 LYS A 71 2.865 -6.113 -8.802 1.00 1.72 H new ATOM 0 HE2 LYS A 71 3.781 -8.460 -9.023 1.00 1.56 H new ATOM 0 HE3 LYS A 71 2.514 -9.031 -7.955 1.00 1.56 H new ATOM 0 HZ1 LYS A 71 1.748 -9.323 -10.180 1.00 2.73 H new ATOM 0 HZ2 LYS A 71 0.877 -8.006 -9.556 1.00 2.73 H new ATOM 0 HZ3 LYS A 71 2.169 -7.740 -10.624 1.00 2.73 H new ATOM 1129 N ALA A 72 8.191 -7.176 -7.434 1.00 0.17 N ATOM 1130 CA ALA A 72 9.526 -7.828 -7.325 1.00 0.23 C ATOM 1131 C ALA A 72 10.549 -6.755 -6.890 1.00 0.23 C ATOM 1132 O ALA A 72 11.366 -7.047 -6.039 1.00 0.25 O ATOM 1133 CB ALA A 72 9.793 -8.427 -8.703 1.00 0.27 C ATOM 0 H ALA A 72 7.884 -6.943 -8.378 1.00 0.17 H new ATOM 0 HA ALA A 72 9.589 -8.621 -6.580 1.00 0.23 H new ATOM 0 HB1 ALA A 72 10.762 -8.926 -8.701 1.00 0.27 H new ATOM 0 HB2 ALA A 72 9.013 -9.150 -8.943 1.00 0.27 H new ATOM 0 HB3 ALA A 72 9.795 -7.634 -9.450 1.00 0.27 H new ATOM 1139 N TYR A 73 10.521 -5.563 -7.432 1.00 0.21 N ATOM 1140 CA TYR A 73 11.514 -4.543 -6.981 1.00 0.19 C ATOM 1141 C TYR A 73 11.637 -4.536 -5.454 1.00 0.18 C ATOM 1142 O TYR A 73 12.687 -4.733 -4.884 1.00 0.18 O ATOM 1143 CB TYR A 73 11.071 -3.151 -7.392 1.00 0.16 C ATOM 1144 CG TYR A 73 12.026 -2.202 -6.696 1.00 0.13 C ATOM 1145 CD1 TYR A 73 13.291 -2.126 -7.202 1.00 0.84 C ATOM 1146 CD2 TYR A 73 11.668 -1.447 -5.586 1.00 0.62 C ATOM 1147 CE1 TYR A 73 14.198 -1.314 -6.618 1.00 0.89 C ATOM 1148 CE2 TYR A 73 12.600 -0.627 -5.012 1.00 0.59 C ATOM 1149 CZ TYR A 73 13.857 -0.578 -5.541 1.00 0.30 C ATOM 1150 OH TYR A 73 14.840 0.200 -5.021 1.00 0.43 O ATOM 0 H TYR A 73 9.867 -5.257 -8.153 1.00 0.21 H new ATOM 0 HA TYR A 73 12.467 -4.803 -7.442 1.00 0.19 H new ATOM 0 HB2 TYR A 73 11.115 -3.028 -8.474 1.00 0.16 H new ATOM 0 HB3 TYR A 73 10.041 -2.962 -7.091 1.00 0.16 H new ATOM 0 HD1 TYR A 73 13.566 -2.713 -8.066 1.00 0.84 H new ATOM 0 HD2 TYR A 73 10.668 -1.507 -5.182 1.00 0.62 H new ATOM 0 HE1 TYR A 73 15.201 -1.254 -7.015 1.00 0.89 H new ATOM 0 HE2 TYR A 73 12.345 -0.026 -4.152 1.00 0.59 H new ATOM 0 HH TYR A 73 14.993 0.970 -5.608 1.00 0.43 H new ATOM 1160 N ILE A 74 10.492 -4.289 -4.883 1.00 0.16 N ATOM 1161 CA ILE A 74 10.292 -4.201 -3.417 1.00 0.17 C ATOM 1162 C ILE A 74 10.878 -5.451 -2.808 1.00 0.19 C ATOM 1163 O ILE A 74 11.812 -5.356 -2.052 1.00 0.18 O ATOM 1164 CB ILE A 74 8.807 -4.119 -3.119 1.00 0.17 C ATOM 1165 CG1 ILE A 74 8.130 -2.954 -3.822 1.00 0.29 C ATOM 1166 CG2 ILE A 74 8.716 -3.845 -1.613 1.00 0.14 C ATOM 1167 CD1 ILE A 74 6.598 -3.177 -3.781 1.00 0.34 C ATOM 0 H ILE A 74 9.635 -4.136 -5.414 1.00 0.16 H new ATOM 0 HA ILE A 74 10.776 -3.316 -3.004 1.00 0.17 H new ATOM 0 HB ILE A 74 8.319 -5.035 -3.451 1.00 0.17 H new ATOM 0 HG12 ILE A 74 8.389 -2.015 -3.333 1.00 0.29 H new ATOM 0 HG13 ILE A 74 8.475 -2.882 -4.854 1.00 0.29 H new ATOM 0 HG21 ILE A 74 7.669 -3.772 -1.319 1.00 0.14 H new ATOM 0 HG22 ILE A 74 9.191 -4.659 -1.066 1.00 0.14 H new ATOM 0 HG23 ILE A 74 9.224 -2.908 -1.382 1.00 0.14 H new ATOM 0 HD11 ILE A 74 6.096 -2.349 -4.282 1.00 0.34 H new ATOM 0 HD12 ILE A 74 6.352 -4.110 -4.288 1.00 0.34 H new ATOM 0 HD13 ILE A 74 6.266 -3.229 -2.744 1.00 0.34 H new ATOM 1179 N ASP A 75 10.329 -6.585 -3.133 1.00 0.23 N ATOM 1180 CA ASP A 75 10.860 -7.855 -2.589 1.00 0.24 C ATOM 1181 C ASP A 75 12.395 -7.957 -2.716 1.00 0.29 C ATOM 1182 O ASP A 75 13.079 -8.551 -1.903 1.00 0.43 O ATOM 1183 CB ASP A 75 10.072 -8.896 -3.352 1.00 0.25 C ATOM 1184 CG ASP A 75 8.785 -9.189 -2.601 1.00 0.24 C ATOM 1185 OD1 ASP A 75 7.935 -8.317 -2.633 1.00 0.98 O ATOM 1186 OD2 ASP A 75 8.760 -10.269 -2.040 1.00 0.81 O ATOM 0 H ASP A 75 9.529 -6.684 -3.758 1.00 0.23 H new ATOM 0 HA ASP A 75 10.731 -7.972 -1.513 1.00 0.24 H new ATOM 0 HB2 ASP A 75 9.848 -8.537 -4.357 1.00 0.25 H new ATOM 0 HB3 ASP A 75 10.660 -9.807 -3.462 1.00 0.25 H new ATOM 1191 N LYS A 76 12.905 -7.352 -3.745 1.00 0.22 N ATOM 1192 CA LYS A 76 14.383 -7.399 -3.937 1.00 0.21 C ATOM 1193 C LYS A 76 14.950 -6.306 -3.015 1.00 0.26 C ATOM 1194 O LYS A 76 15.946 -6.596 -2.388 1.00 0.24 O ATOM 1195 CB LYS A 76 14.612 -7.237 -5.466 1.00 0.27 C ATOM 1196 CG LYS A 76 15.301 -8.576 -5.990 1.00 1.16 C ATOM 1197 CD LYS A 76 16.552 -9.128 -5.232 1.00 0.64 C ATOM 1198 CE LYS A 76 17.002 -10.390 -5.999 1.00 0.73 C ATOM 1199 NZ LYS A 76 18.233 -10.928 -5.367 1.00 1.56 N ATOM 0 H LYS A 76 12.380 -6.836 -4.451 1.00 0.22 H new ATOM 0 HA LYS A 76 14.899 -8.318 -3.660 1.00 0.21 H new ATOM 0 HB2 LYS A 76 13.666 -7.066 -5.980 1.00 0.27 H new ATOM 0 HB3 LYS A 76 15.246 -6.374 -5.670 1.00 0.27 H new ATOM 0 HG2 LYS A 76 14.543 -9.359 -5.989 1.00 1.16 H new ATOM 0 HG3 LYS A 76 15.590 -8.414 -7.028 1.00 1.16 H new ATOM 0 HD2 LYS A 76 17.349 -8.385 -5.205 1.00 0.64 H new ATOM 0 HD3 LYS A 76 16.305 -9.369 -4.198 1.00 0.64 H new ATOM 0 HE2 LYS A 76 16.212 -11.141 -5.984 1.00 0.73 H new ATOM 0 HE3 LYS A 76 17.191 -10.147 -7.045 1.00 0.73 H new ATOM 0 HZ1 LYS A 76 18.829 -11.374 -6.093 1.00 1.56 H new ATOM 0 HZ2 LYS A 76 18.759 -10.153 -4.915 1.00 1.56 H new ATOM 0 HZ3 LYS A 76 17.974 -11.635 -4.649 1.00 1.56 H new ATOM 1213 N VAL A 77 14.416 -5.110 -2.894 1.00 0.23 N ATOM 1214 CA VAL A 77 15.053 -4.132 -1.930 1.00 0.12 C ATOM 1215 C VAL A 77 15.028 -4.912 -0.627 1.00 0.17 C ATOM 1216 O VAL A 77 15.956 -4.856 0.162 1.00 0.10 O ATOM 1217 CB VAL A 77 14.227 -2.861 -1.775 1.00 0.13 C ATOM 1218 CG1 VAL A 77 14.761 -2.027 -0.556 1.00 0.18 C ATOM 1219 CG2 VAL A 77 14.451 -2.030 -3.033 1.00 0.30 C ATOM 0 H VAL A 77 13.597 -4.771 -3.398 1.00 0.23 H new ATOM 0 HA VAL A 77 16.040 -3.804 -2.255 1.00 0.12 H new ATOM 0 HB VAL A 77 13.177 -3.108 -1.621 1.00 0.13 H new ATOM 0 HG11 VAL A 77 14.168 -1.119 -0.449 1.00 0.18 H new ATOM 0 HG12 VAL A 77 14.682 -2.622 0.354 1.00 0.18 H new ATOM 0 HG13 VAL A 77 15.804 -1.761 -0.726 1.00 0.18 H new ATOM 0 HG21 VAL A 77 13.876 -1.106 -2.966 1.00 0.30 H new ATOM 0 HG22 VAL A 77 15.510 -1.792 -3.128 1.00 0.30 H new ATOM 0 HG23 VAL A 77 14.127 -2.597 -3.906 1.00 0.30 H new ATOM 1229 N GLU A 78 13.949 -5.634 -0.413 1.00 0.35 N ATOM 1230 CA GLU A 78 13.841 -6.447 0.816 1.00 0.51 C ATOM 1231 C GLU A 78 15.144 -7.241 0.948 1.00 0.55 C ATOM 1232 O GLU A 78 15.760 -7.203 1.989 1.00 0.55 O ATOM 1233 CB GLU A 78 12.614 -7.394 0.712 1.00 0.69 C ATOM 1234 CG GLU A 78 11.652 -7.112 1.913 1.00 0.89 C ATOM 1235 CD GLU A 78 12.438 -7.142 3.223 1.00 1.55 C ATOM 1236 OE1 GLU A 78 12.814 -8.226 3.636 1.00 2.79 O ATOM 1237 OE2 GLU A 78 12.639 -6.066 3.746 1.00 1.13 O ATOM 0 H GLU A 78 13.148 -5.687 -1.042 1.00 0.35 H new ATOM 0 HA GLU A 78 13.696 -5.821 1.696 1.00 0.51 H new ATOM 0 HB2 GLU A 78 12.094 -7.235 -0.233 1.00 0.69 H new ATOM 0 HB3 GLU A 78 12.939 -8.434 0.726 1.00 0.69 H new ATOM 0 HG2 GLU A 78 11.173 -6.141 1.787 1.00 0.89 H new ATOM 0 HG3 GLU A 78 10.858 -7.858 1.938 1.00 0.89 H new ATOM 1244 N GLU A 79 15.586 -7.976 -0.045 1.00 0.61 N ATOM 1245 CA GLU A 79 16.882 -8.733 0.107 1.00 0.62 C ATOM 1246 C GLU A 79 18.015 -7.837 0.716 1.00 0.38 C ATOM 1247 O GLU A 79 18.648 -8.244 1.679 1.00 0.46 O ATOM 1248 CB GLU A 79 17.294 -9.265 -1.269 1.00 0.79 C ATOM 1249 CG GLU A 79 16.481 -10.565 -1.667 1.00 1.03 C ATOM 1250 CD GLU A 79 17.164 -11.383 -2.784 1.00 1.58 C ATOM 1251 OE1 GLU A 79 18.375 -11.329 -2.900 1.00 2.23 O ATOM 1252 OE2 GLU A 79 16.469 -12.060 -3.512 1.00 2.02 O ATOM 0 H GLU A 79 15.117 -8.088 -0.944 1.00 0.61 H new ATOM 0 HA GLU A 79 16.731 -9.559 0.802 1.00 0.62 H new ATOM 0 HB2 GLU A 79 17.133 -8.492 -2.020 1.00 0.79 H new ATOM 0 HB3 GLU A 79 18.360 -9.490 -1.267 1.00 0.79 H new ATOM 0 HG2 GLU A 79 16.359 -11.195 -0.786 1.00 1.03 H new ATOM 0 HG3 GLU A 79 15.482 -10.277 -1.994 1.00 1.03 H new ATOM 1259 N LEU A 80 18.296 -6.661 0.188 1.00 0.36 N ATOM 1260 CA LEU A 80 19.343 -5.797 0.760 1.00 0.45 C ATOM 1261 C LEU A 80 19.173 -5.675 2.276 1.00 0.53 C ATOM 1262 O LEU A 80 20.110 -5.721 3.049 1.00 0.63 O ATOM 1263 CB LEU A 80 19.137 -4.569 0.058 1.00 0.67 C ATOM 1264 CG LEU A 80 19.618 -4.719 -1.350 1.00 0.81 C ATOM 1265 CD1 LEU A 80 21.061 -5.171 -1.458 1.00 2.17 C ATOM 1266 CD2 LEU A 80 18.689 -5.242 -2.419 1.00 2.11 C ATOM 0 H LEU A 80 17.825 -6.273 -0.630 1.00 0.36 H new ATOM 0 HA LEU A 80 20.361 -6.168 0.643 1.00 0.45 H new ATOM 0 HB2 LEU A 80 18.080 -4.304 0.067 1.00 0.67 H new ATOM 0 HB3 LEU A 80 19.673 -3.759 0.553 1.00 0.67 H new ATOM 0 HG LEU A 80 19.589 -3.675 -1.661 1.00 0.81 H new ATOM 0 HD11 LEU A 80 21.338 -5.257 -2.509 1.00 2.17 H new ATOM 0 HD12 LEU A 80 21.708 -4.442 -0.971 1.00 2.17 H new ATOM 0 HD13 LEU A 80 21.176 -6.140 -0.972 1.00 2.17 H new ATOM 0 HD21 LEU A 80 19.216 -5.280 -3.372 1.00 2.11 H new ATOM 0 HD22 LEU A 80 18.352 -6.243 -2.150 1.00 2.11 H new ATOM 0 HD23 LEU A 80 17.827 -4.581 -2.507 1.00 2.11 H new ATOM 1278 N LYS A 81 17.933 -5.510 2.627 1.00 0.78 N ATOM 1279 CA LYS A 81 17.547 -5.374 4.068 1.00 1.23 C ATOM 1280 C LYS A 81 18.310 -6.382 4.968 1.00 1.30 C ATOM 1281 O LYS A 81 18.682 -6.091 6.086 1.00 1.63 O ATOM 1282 CB LYS A 81 16.068 -5.623 4.183 1.00 1.46 C ATOM 1283 CG LYS A 81 15.470 -5.204 5.553 1.00 1.70 C ATOM 1284 CD LYS A 81 15.037 -3.699 5.500 1.00 0.27 C ATOM 1285 CE LYS A 81 14.990 -3.095 6.912 1.00 1.13 C ATOM 1286 NZ LYS A 81 14.511 -1.682 6.802 1.00 1.00 N ATOM 0 H LYS A 81 17.153 -5.462 1.971 1.00 0.78 H new ATOM 0 HA LYS A 81 17.806 -4.371 4.406 1.00 1.23 H new ATOM 0 HB2 LYS A 81 15.554 -5.079 3.390 1.00 1.46 H new ATOM 0 HB3 LYS A 81 15.873 -6.683 4.020 1.00 1.46 H new ATOM 0 HG2 LYS A 81 14.612 -5.831 5.794 1.00 1.70 H new ATOM 0 HG3 LYS A 81 16.206 -5.354 6.343 1.00 1.70 H new ATOM 0 HD2 LYS A 81 15.736 -3.136 4.882 1.00 0.27 H new ATOM 0 HD3 LYS A 81 14.057 -3.614 5.030 1.00 0.27 H new ATOM 0 HE2 LYS A 81 14.323 -3.674 7.551 1.00 1.13 H new ATOM 0 HE3 LYS A 81 15.978 -3.127 7.372 1.00 1.13 H new ATOM 0 HZ1 LYS A 81 15.106 -1.067 7.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 14.570 -1.372 5.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 13.524 -1.624 7.125 1.00 1.00 H new ATOM 1300 N LYS A 82 18.500 -7.542 4.400 1.00 1.08 N ATOM 1301 CA LYS A 82 19.186 -8.695 5.020 1.00 1.25 C ATOM 1302 C LYS A 82 20.670 -8.813 4.644 1.00 1.06 C ATOM 1303 O LYS A 82 21.536 -9.004 5.470 1.00 1.21 O ATOM 1304 CB LYS A 82 18.370 -9.913 4.576 1.00 1.38 C ATOM 1305 CG LYS A 82 16.930 -9.787 5.175 1.00 1.27 C ATOM 1306 CD LYS A 82 15.973 -10.926 4.672 1.00 1.54 C ATOM 1307 CE LYS A 82 15.599 -10.780 3.190 1.00 2.14 C ATOM 1308 NZ LYS A 82 14.809 -9.519 3.020 1.00 1.42 N ATOM 0 H LYS A 82 18.176 -7.740 3.453 1.00 1.08 H new ATOM 0 HA LYS A 82 19.220 -8.591 6.104 1.00 1.25 H new ATOM 0 HB2 LYS A 82 18.325 -9.964 3.488 1.00 1.38 H new ATOM 0 HB3 LYS A 82 18.844 -10.833 4.919 1.00 1.38 H new ATOM 0 HG2 LYS A 82 16.988 -9.818 6.263 1.00 1.27 H new ATOM 0 HG3 LYS A 82 16.510 -8.818 4.906 1.00 1.27 H new ATOM 0 HD2 LYS A 82 16.453 -11.892 4.827 1.00 1.54 H new ATOM 0 HD3 LYS A 82 15.064 -10.922 5.273 1.00 1.54 H new ATOM 0 HE2 LYS A 82 16.498 -10.750 2.574 1.00 2.14 H new ATOM 0 HE3 LYS A 82 15.016 -11.640 2.860 1.00 2.14 H new ATOM 0 HZ1 LYS A 82 14.230 -9.586 2.159 1.00 1.42 H new ATOM 0 HZ2 LYS A 82 14.190 -9.384 3.844 1.00 1.42 H new ATOM 0 HZ3 LYS A 82 15.458 -8.711 2.939 1.00 1.42 H new ATOM 1322 N LYS A 83 20.887 -8.705 3.373 1.00 0.75 N ATOM 1323 CA LYS A 83 22.252 -8.779 2.772 1.00 0.58 C ATOM 1324 C LYS A 83 23.180 -7.784 3.477 1.00 0.43 C ATOM 1325 O LYS A 83 24.276 -8.094 3.902 1.00 0.45 O ATOM 1326 CB LYS A 83 22.153 -8.427 1.303 1.00 0.42 C ATOM 1327 CG LYS A 83 21.458 -9.523 0.514 1.00 0.81 C ATOM 1328 CD LYS A 83 20.984 -8.888 -0.814 1.00 0.84 C ATOM 1329 CE LYS A 83 20.544 -9.989 -1.788 1.00 1.27 C ATOM 1330 NZ LYS A 83 21.689 -10.821 -2.270 1.00 1.85 N ATOM 0 H LYS A 83 20.144 -8.562 2.689 1.00 0.75 H new ATOM 0 HA LYS A 83 22.656 -9.785 2.888 1.00 0.58 H new ATOM 0 HB2 LYS A 83 21.606 -7.491 1.188 1.00 0.42 H new ATOM 0 HB3 LYS A 83 23.152 -8.264 0.899 1.00 0.42 H new ATOM 0 HG2 LYS A 83 22.138 -10.353 0.324 1.00 0.81 H new ATOM 0 HG3 LYS A 83 20.613 -9.925 1.073 1.00 0.81 H new ATOM 0 HD2 LYS A 83 20.156 -8.204 -0.626 1.00 0.84 H new ATOM 0 HD3 LYS A 83 21.789 -8.300 -1.255 1.00 0.84 H new ATOM 0 HE2 LYS A 83 19.813 -10.632 -1.298 1.00 1.27 H new ATOM 0 HE3 LYS A 83 20.045 -9.534 -2.643 1.00 1.27 H new ATOM 0 HZ1 LYS A 83 21.493 -11.156 -3.235 1.00 1.85 H new ATOM 0 HZ2 LYS A 83 22.557 -10.249 -2.272 1.00 1.85 H new ATOM 0 HZ3 LYS A 83 21.815 -11.638 -1.639 1.00 1.85 H new ATOM 1344 N TYR A 84 22.654 -6.596 3.553 1.00 0.48 N ATOM 1345 CA TYR A 84 23.425 -5.510 4.214 1.00 0.69 C ATOM 1346 C TYR A 84 22.814 -5.189 5.591 1.00 1.00 C ATOM 1347 O TYR A 84 23.611 -5.115 6.508 1.00 1.23 O ATOM 1348 CB TYR A 84 23.469 -4.294 3.189 1.00 0.77 C ATOM 1349 CG TYR A 84 24.078 -4.922 1.932 1.00 0.57 C ATOM 1350 CD1 TYR A 84 25.438 -5.116 1.844 1.00 1.24 C ATOM 1351 CD2 TYR A 84 23.281 -5.363 0.895 1.00 0.70 C ATOM 1352 CE1 TYR A 84 25.981 -5.744 0.743 1.00 1.38 C ATOM 1353 CE2 TYR A 84 23.812 -5.989 -0.188 1.00 0.74 C ATOM 1354 CZ TYR A 84 25.175 -6.187 -0.283 1.00 0.85 C ATOM 1355 OH TYR A 84 25.747 -6.794 -1.386 1.00 1.19 O ATOM 0 H TYR A 84 21.737 -6.332 3.192 1.00 0.48 H new ATOM 0 HA TYR A 84 24.454 -5.791 4.440 1.00 0.69 H new ATOM 0 HB2 TYR A 84 22.474 -3.892 2.997 1.00 0.77 H new ATOM 0 HB3 TYR A 84 24.078 -3.472 3.565 1.00 0.77 H new ATOM 0 HD1 TYR A 84 26.082 -4.775 2.641 1.00 1.24 H new ATOM 0 HD2 TYR A 84 22.213 -5.207 0.945 1.00 0.70 H new ATOM 0 HE1 TYR A 84 27.049 -5.890 0.684 1.00 1.38 H new ATOM 0 HE2 TYR A 84 23.163 -6.334 -0.980 1.00 0.74 H new ATOM 0 HH TYR A 84 25.113 -7.433 -1.773 1.00 1.19 H new ATOM 1365 N GLY A 85 21.520 -5.008 5.812 1.00 1.07 N ATOM 1366 CA GLY A 85 21.127 -4.712 7.242 1.00 1.41 C ATOM 1367 C GLY A 85 20.912 -3.241 7.442 1.00 1.15 C ATOM 1368 O GLY A 85 21.773 -2.525 7.918 1.00 1.13 O ATOM 0 H GLY A 85 20.770 -5.048 5.122 1.00 1.07 H new ATOM 0 HA2 GLY A 85 20.216 -5.255 7.493 1.00 1.41 H new ATOM 0 HA3 GLY A 85 21.905 -5.066 7.918 1.00 1.41 H new ATOM 1372 N ILE A 86 19.756 -2.802 7.063 1.00 0.98 N ATOM 1373 CA ILE A 86 19.406 -1.370 7.200 1.00 0.73 C ATOM 1374 C ILE A 86 18.595 -1.114 8.499 1.00 1.00 C ATOM 1375 O ILE A 86 17.728 -1.912 8.834 1.00 1.13 O ATOM 1376 CB ILE A 86 18.640 -0.978 5.829 1.00 0.89 C ATOM 1377 CG1 ILE A 86 17.279 -0.332 6.064 1.00 0.93 C ATOM 1378 CG2 ILE A 86 18.276 -2.259 5.048 1.00 1.67 C ATOM 1379 CD1 ILE A 86 17.281 1.136 5.584 1.00 0.70 C ATOM 1380 OXT ILE A 86 18.918 -0.089 9.084 1.00 1.81 O ATOM 0 H ILE A 86 19.024 -3.384 6.656 1.00 0.98 H new ATOM 0 HA ILE A 86 20.278 -0.727 7.318 1.00 0.73 H new ATOM 0 HB ILE A 86 19.323 -0.303 5.313 1.00 0.89 H new ATOM 0 HG12 ILE A 86 16.509 -0.892 5.534 1.00 0.93 H new ATOM 0 HG13 ILE A 86 17.030 -0.373 7.124 1.00 0.93 H new ATOM 0 HG21 ILE A 86 17.761 -1.989 4.126 1.00 1.67 H new ATOM 0 HG22 ILE A 86 19.186 -2.809 4.807 1.00 1.67 H new ATOM 0 HG23 ILE A 86 17.624 -2.884 5.658 1.00 1.67 H new ATOM 0 HD11 ILE A 86 16.300 1.578 5.761 1.00 0.70 H new ATOM 0 HD12 ILE A 86 18.037 1.697 6.133 1.00 0.70 H new ATOM 0 HD13 ILE A 86 17.507 1.170 4.518 1.00 0.70 H new