USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 978 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 37 GLN :FLIP amide:sc= -0.898! F(o=-0.89,f=0.21!) USER MOD Set 1.2: A 107 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 145:sc= 0 (180deg=-0.108) USER MOD Single : A 3 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.18) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc=-0.00263 (180deg=-0.126) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.1) USER MOD Single : A 16 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.028) USER MOD Single : A 21 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.99) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 32 GLN : amide:sc= -4.63! C(o=-4.6!,f=-7.4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.449 K(o=-0.45,f=-4.2!) USER MOD Single : A 44 ASN : amide:sc= -3.78 K(o=-3.8,f=-8.4!) USER MOD Single : A 46 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.9!) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.137 (180deg=-0.82) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.55! C(o=-2.5!,f=-7.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.452 USER MOD Single : A 65 MET CE :methyl -154:sc= -0.645 (180deg=-1.96) USER MOD Single : A 70 GLN : amide:sc= -3.43 K(o=-3.4,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.33) USER MOD Single : A 89 ASN : amide:sc= -1.52 K(o=-1.5,f=-8.3!) USER MOD Single : A 90 TYR OH : rot 147:sc= 0.617 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 95 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 97 SER OG : rot -37:sc= -0.281 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -120:sc= 0.11 (180deg=-0.308) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 149:sc= 0.76 (180deg=-0.929) USER MOD Single : A 115 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 116 THR OG1 : rot -80:sc= -0.539 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.709 18.354 -18.182 1.00 0.00 N ATOM 2 CA GLN A 1 -2.221 18.100 -16.841 1.00 0.00 C ATOM 3 C GLN A 1 -1.153 17.453 -15.964 1.00 0.00 C ATOM 4 O GLN A 1 -1.439 16.530 -15.202 1.00 0.00 O ATOM 5 CB GLN A 1 -3.458 17.203 -16.906 1.00 0.00 C ATOM 6 CG GLN A 1 -4.716 17.930 -17.351 1.00 0.00 C ATOM 7 CD GLN A 1 -5.408 18.652 -16.211 1.00 0.00 C ATOM 8 OE1 GLN A 1 -5.290 19.870 -16.069 1.00 0.00 O ATOM 9 NE2 GLN A 1 -6.134 17.903 -15.390 1.00 0.00 N ATOM 0 H1 GLN A 1 -2.471 18.216 -18.876 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.359 19.332 -18.241 1.00 0.00 H new ATOM 0 H3 GLN A 1 -0.931 17.695 -18.387 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.498 19.056 -16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -3.263 16.379 -17.592 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -3.630 16.765 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -4.459 18.649 -18.129 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -5.407 17.214 -17.795 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -6.204 16.897 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -6.622 18.333 -14.604 1.00 0.00 H new ATOM 18 N GLU A 2 0.077 17.943 -16.078 1.00 0.00 N ATOM 19 CA GLU A 2 1.187 17.411 -15.297 1.00 0.00 C ATOM 20 C GLU A 2 1.033 17.769 -13.821 1.00 0.00 C ATOM 21 O GLU A 2 0.813 18.928 -13.471 1.00 0.00 O ATOM 22 CB GLU A 2 2.517 17.948 -15.828 1.00 0.00 C ATOM 23 CG GLU A 2 2.724 17.702 -17.313 1.00 0.00 C ATOM 24 CD GLU A 2 3.046 16.254 -17.625 1.00 0.00 C ATOM 25 OE1 GLU A 2 2.101 15.442 -17.714 1.00 0.00 O ATOM 26 OE2 GLU A 2 4.243 15.932 -17.781 1.00 0.00 O ATOM 0 H GLU A 2 0.330 18.708 -16.704 1.00 0.00 H new ATOM 0 HA GLU A 2 1.179 16.325 -15.393 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.569 19.020 -15.635 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.333 17.484 -15.274 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.825 17.995 -17.855 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.534 18.336 -17.673 1.00 0.00 H new ATOM 33 N HIS A 3 1.151 16.764 -12.960 1.00 0.00 N ATOM 34 CA HIS A 3 1.027 16.971 -11.521 1.00 0.00 C ATOM 35 C HIS A 3 2.372 16.784 -10.827 1.00 0.00 C ATOM 36 O HIS A 3 2.962 15.704 -10.872 1.00 0.00 O ATOM 37 CB HIS A 3 -0.003 16.006 -10.933 1.00 0.00 C ATOM 38 CG HIS A 3 0.198 14.583 -11.359 1.00 0.00 C ATOM 39 ND1 HIS A 3 -0.418 14.035 -12.464 1.00 0.00 N ATOM 40 CD2 HIS A 3 0.951 13.596 -10.822 1.00 0.00 C ATOM 41 CE1 HIS A 3 -0.053 12.772 -12.588 1.00 0.00 C ATOM 42 NE2 HIS A 3 0.779 12.481 -11.603 1.00 0.00 N ATOM 0 H HIS A 3 1.332 15.798 -13.233 1.00 0.00 H new ATOM 0 HA HIS A 3 0.692 17.995 -11.353 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.040 16.061 -9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.001 16.328 -11.229 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.572 13.672 -9.942 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.379 12.093 -13.362 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.221 11.575 -11.449 1.00 0.00 H new ATOM 50 N LYS A 4 2.854 17.842 -10.183 1.00 0.00 N ATOM 51 CA LYS A 4 4.129 17.796 -9.479 1.00 0.00 C ATOM 52 C LYS A 4 3.973 17.129 -8.116 1.00 0.00 C ATOM 53 O LYS A 4 2.875 17.025 -7.571 1.00 0.00 O ATOM 54 CB LYS A 4 4.690 19.209 -9.306 1.00 0.00 C ATOM 55 CG LYS A 4 5.553 19.667 -10.469 1.00 0.00 C ATOM 56 CD LYS A 4 4.709 20.225 -11.603 1.00 0.00 C ATOM 57 CE LYS A 4 5.563 20.591 -12.807 1.00 0.00 C ATOM 58 NZ LYS A 4 6.553 21.655 -12.482 1.00 0.00 N ATOM 0 H LYS A 4 2.379 18.743 -10.135 1.00 0.00 H new ATOM 0 HA LYS A 4 4.825 17.206 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.862 19.907 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.279 19.247 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.253 20.429 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.147 18.829 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.961 19.489 -11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.170 21.107 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.087 19.704 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.920 20.929 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.009 21.984 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.068 22.453 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.275 21.273 -11.838 1.00 0.00 H new ATOM 72 N PRO A 5 5.099 16.667 -7.552 1.00 0.00 N ATOM 73 CA PRO A 5 5.114 16.004 -6.244 1.00 0.00 C ATOM 74 C PRO A 5 4.819 16.969 -5.101 1.00 0.00 C ATOM 75 O PRO A 5 5.635 17.834 -4.780 1.00 0.00 O ATOM 76 CB PRO A 5 6.542 15.465 -6.135 1.00 0.00 C ATOM 77 CG PRO A 5 7.351 16.356 -7.014 1.00 0.00 C ATOM 78 CD PRO A 5 6.443 16.757 -8.144 1.00 0.00 C ATOM 0 HA PRO A 5 4.347 15.233 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.899 15.494 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.600 14.427 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.702 17.230 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.234 15.838 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.660 17.766 -8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.550 16.091 -9.001 1.00 0.00 H new ATOM 86 N LYS A 6 3.650 16.815 -4.488 1.00 0.00 N ATOM 87 CA LYS A 6 3.248 17.671 -3.379 1.00 0.00 C ATOM 88 C LYS A 6 3.779 17.131 -2.055 1.00 0.00 C ATOM 89 O LYS A 6 3.876 15.919 -1.861 1.00 0.00 O ATOM 90 CB LYS A 6 1.723 17.785 -3.321 1.00 0.00 C ATOM 91 CG LYS A 6 1.223 18.701 -2.218 1.00 0.00 C ATOM 92 CD LYS A 6 -0.272 18.950 -2.336 1.00 0.00 C ATOM 93 CE LYS A 6 -0.569 20.147 -3.225 1.00 0.00 C ATOM 94 NZ LYS A 6 -1.999 20.557 -3.144 1.00 0.00 N ATOM 0 H LYS A 6 2.964 16.104 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 6 3.673 18.661 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.358 18.152 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.298 16.792 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.444 18.257 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.756 19.651 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.759 18.064 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.693 19.118 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.066 20.983 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.319 19.903 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.161 21.376 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.604 19.768 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.231 20.814 -2.163 1.00 0.00 H new ATOM 108 N LYS A 7 4.121 18.038 -1.146 1.00 0.00 N ATOM 109 CA LYS A 7 4.639 17.655 0.162 1.00 0.00 C ATOM 110 C LYS A 7 3.734 18.166 1.278 1.00 0.00 C ATOM 111 O LYS A 7 3.076 19.195 1.133 1.00 0.00 O ATOM 112 CB LYS A 7 6.057 18.198 0.351 1.00 0.00 C ATOM 113 CG LYS A 7 6.921 17.342 1.261 1.00 0.00 C ATOM 114 CD LYS A 7 8.026 18.159 1.911 1.00 0.00 C ATOM 115 CE LYS A 7 9.287 18.166 1.060 1.00 0.00 C ATOM 116 NZ LYS A 7 10.502 18.453 1.872 1.00 0.00 N ATOM 0 H LYS A 7 4.049 19.045 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 7 4.664 16.566 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.539 18.278 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.999 19.206 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.300 16.889 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.360 16.527 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.682 19.182 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.252 17.749 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.399 17.200 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.190 18.915 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.340 18.449 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.407 19.386 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.609 17.724 2.606 1.00 0.00 H new ATOM 130 N ASP A 8 3.707 17.440 2.390 1.00 0.00 N ATOM 131 CA ASP A 8 2.884 17.822 3.532 1.00 0.00 C ATOM 132 C ASP A 8 3.273 19.205 4.044 1.00 0.00 C ATOM 133 O ASP A 8 4.438 19.462 4.345 1.00 0.00 O ATOM 134 CB ASP A 8 3.023 16.792 4.655 1.00 0.00 C ATOM 135 CG ASP A 8 1.803 16.749 5.555 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.757 17.529 6.528 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.895 15.935 5.284 1.00 0.00 O ATOM 0 H ASP A 8 4.245 16.584 2.525 1.00 0.00 H new ATOM 0 HA ASP A 8 1.845 17.854 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.186 15.805 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.904 17.027 5.253 1.00 0.00 H new ATOM 142 N ASP A 9 2.289 20.092 4.137 1.00 0.00 N ATOM 143 CA ASP A 9 2.527 21.451 4.612 1.00 0.00 C ATOM 144 C ASP A 9 2.455 21.515 6.135 1.00 0.00 C ATOM 145 O ASP A 9 3.298 22.137 6.781 1.00 0.00 O ATOM 146 CB ASP A 9 1.509 22.415 4.001 1.00 0.00 C ATOM 147 CG ASP A 9 1.631 22.503 2.492 1.00 0.00 C ATOM 148 OD1 ASP A 9 2.713 22.894 2.005 1.00 0.00 O ATOM 149 OD2 ASP A 9 0.645 22.181 1.797 1.00 0.00 O ATOM 0 H ASP A 9 1.319 19.895 3.890 1.00 0.00 H new ATOM 0 HA ASP A 9 3.528 21.747 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.502 22.090 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.647 23.406 4.433 1.00 0.00 H new ATOM 154 N PHE A 10 1.443 20.868 6.702 1.00 0.00 N ATOM 155 CA PHE A 10 1.259 20.853 8.148 1.00 0.00 C ATOM 156 C PHE A 10 0.688 19.515 8.610 1.00 0.00 C ATOM 157 O PHE A 10 -0.436 19.153 8.262 1.00 0.00 O ATOM 158 CB PHE A 10 0.330 21.991 8.577 1.00 0.00 C ATOM 159 CG PHE A 10 1.022 23.318 8.693 1.00 0.00 C ATOM 160 CD1 PHE A 10 1.607 23.707 9.888 1.00 0.00 C ATOM 161 CD2 PHE A 10 1.086 24.178 7.609 1.00 0.00 C ATOM 162 CE1 PHE A 10 2.246 24.928 9.997 1.00 0.00 C ATOM 163 CE2 PHE A 10 1.724 25.400 7.713 1.00 0.00 C ATOM 164 CZ PHE A 10 2.303 25.776 8.910 1.00 0.00 C ATOM 0 H PHE A 10 0.737 20.347 6.182 1.00 0.00 H new ATOM 0 HA PHE A 10 2.234 20.993 8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.484 22.076 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.120 21.740 9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.563 23.049 10.743 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.632 23.891 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.701 25.218 10.933 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.770 26.060 6.859 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.799 26.732 8.995 1.00 0.00 H new ATOM 174 N ARG A 11 1.473 18.784 9.396 1.00 0.00 N ATOM 175 CA ARG A 11 1.049 17.485 9.905 1.00 0.00 C ATOM 176 C ARG A 11 0.127 17.649 11.109 1.00 0.00 C ATOM 177 O ARG A 11 -0.714 16.791 11.381 1.00 0.00 O ATOM 178 CB ARG A 11 2.265 16.643 10.290 1.00 0.00 C ATOM 179 CG ARG A 11 1.912 15.237 10.749 1.00 0.00 C ATOM 180 CD ARG A 11 3.092 14.290 10.602 1.00 0.00 C ATOM 181 NE ARG A 11 3.501 14.137 9.208 1.00 0.00 N ATOM 182 CZ ARG A 11 4.253 13.134 8.769 1.00 0.00 C ATOM 183 NH1 ARG A 11 4.676 12.200 9.610 1.00 0.00 N ATOM 184 NH2 ARG A 11 4.583 13.063 7.485 1.00 0.00 N ATOM 0 H ARG A 11 2.406 19.070 9.694 1.00 0.00 H new ATOM 0 HA ARG A 11 0.499 16.974 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.937 16.579 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.810 17.150 11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.592 15.263 11.791 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.070 14.864 10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.932 14.664 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.827 13.315 11.011 1.00 0.00 H new ATOM 0 HE ARG A 11 3.192 14.839 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.424 12.251 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.253 11.431 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.259 13.779 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.161 12.292 7.149 1.00 0.00 H new ATOM 198 N ASN A 12 0.291 18.755 11.828 1.00 0.00 N ATOM 199 CA ASN A 12 -0.527 19.029 13.004 1.00 0.00 C ATOM 200 C ASN A 12 -1.832 19.713 12.613 1.00 0.00 C ATOM 201 O ASN A 12 -2.839 19.594 13.308 1.00 0.00 O ATOM 202 CB ASN A 12 0.246 19.906 13.993 1.00 0.00 C ATOM 203 CG ASN A 12 0.653 21.236 13.390 1.00 0.00 C ATOM 204 OD1 ASN A 12 1.663 21.330 12.692 1.00 0.00 O ATOM 205 ND2 ASN A 12 -0.133 22.272 13.658 1.00 0.00 N ATOM 0 H ASN A 12 0.982 19.475 11.617 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.766 18.078 13.480 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.369 20.083 14.875 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.137 19.374 14.327 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.090 23.193 13.280 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.960 22.147 14.242 1.00 0.00 H new ATOM 212 N GLU A 13 -1.806 20.429 11.493 1.00 0.00 N ATOM 213 CA GLU A 13 -2.988 21.133 11.009 1.00 0.00 C ATOM 214 C GLU A 13 -3.575 20.433 9.787 1.00 0.00 C ATOM 215 O GLU A 13 -3.909 21.075 8.790 1.00 0.00 O ATOM 216 CB GLU A 13 -2.639 22.582 10.662 1.00 0.00 C ATOM 217 CG GLU A 13 -3.819 23.534 10.768 1.00 0.00 C ATOM 218 CD GLU A 13 -3.674 24.745 9.867 1.00 0.00 C ATOM 219 OE1 GLU A 13 -3.975 24.627 8.661 1.00 0.00 O ATOM 220 OE2 GLU A 13 -3.261 25.812 10.369 1.00 0.00 O ATOM 0 H GLU A 13 -0.980 20.537 10.904 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.734 21.127 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.845 22.925 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.243 22.619 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.735 23.002 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.922 23.865 11.801 1.00 0.00 H new ATOM 227 N PHE A 14 -3.698 19.113 9.871 1.00 0.00 N ATOM 228 CA PHE A 14 -4.244 18.324 8.772 1.00 0.00 C ATOM 229 C PHE A 14 -5.761 18.471 8.697 1.00 0.00 C ATOM 230 O PHE A 14 -6.441 18.522 9.723 1.00 0.00 O ATOM 231 CB PHE A 14 -3.871 16.850 8.939 1.00 0.00 C ATOM 232 CG PHE A 14 -3.704 16.122 7.637 1.00 0.00 C ATOM 233 CD1 PHE A 14 -2.739 16.517 6.725 1.00 0.00 C ATOM 234 CD2 PHE A 14 -4.513 15.041 7.324 1.00 0.00 C ATOM 235 CE1 PHE A 14 -2.583 15.848 5.525 1.00 0.00 C ATOM 236 CE2 PHE A 14 -4.361 14.368 6.126 1.00 0.00 C ATOM 237 CZ PHE A 14 -3.396 14.774 5.225 1.00 0.00 C ATOM 0 H PHE A 14 -3.427 18.566 10.689 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.814 18.697 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.943 16.781 9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.642 16.353 9.527 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.101 17.358 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.271 14.721 8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.826 16.166 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.996 13.526 5.895 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.278 14.252 4.287 1.00 0.00 H new ATOM 247 N ASP A 15 -6.283 18.539 7.478 1.00 0.00 N ATOM 248 CA ASP A 15 -7.719 18.679 7.268 1.00 0.00 C ATOM 249 C ASP A 15 -8.462 17.436 7.747 1.00 0.00 C ATOM 250 O ASP A 15 -9.378 17.523 8.567 1.00 0.00 O ATOM 251 CB ASP A 15 -8.018 18.931 5.790 1.00 0.00 C ATOM 252 CG ASP A 15 -7.985 20.405 5.435 1.00 0.00 C ATOM 253 OD1 ASP A 15 -6.982 21.071 5.764 1.00 0.00 O ATOM 254 OD2 ASP A 15 -8.964 20.892 4.831 1.00 0.00 O ATOM 0 H ASP A 15 -5.733 18.499 6.620 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.065 19.533 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.290 18.397 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.999 18.524 5.546 1.00 0.00 H new ATOM 259 N HIS A 16 -8.064 16.278 7.227 1.00 0.00 N ATOM 260 CA HIS A 16 -8.693 15.016 7.601 1.00 0.00 C ATOM 261 C HIS A 16 -10.161 14.998 7.186 1.00 0.00 C ATOM 262 O HIS A 16 -11.023 14.541 7.937 1.00 0.00 O ATOM 263 CB HIS A 16 -8.573 14.789 9.107 1.00 0.00 C ATOM 264 CG HIS A 16 -8.727 13.354 9.511 1.00 0.00 C ATOM 265 ND1 HIS A 16 -9.705 12.917 10.378 1.00 0.00 N ATOM 266 CD2 HIS A 16 -8.019 12.256 9.159 1.00 0.00 C ATOM 267 CE1 HIS A 16 -9.592 11.612 10.544 1.00 0.00 C ATOM 268 NE2 HIS A 16 -8.576 11.185 9.813 1.00 0.00 N ATOM 0 H HIS A 16 -7.310 16.188 6.546 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.176 14.211 7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.602 15.151 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.330 15.385 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -7.173 12.227 8.488 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.222 10.998 11.170 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.258 10.218 9.746 1.00 0.00 H new ATOM 276 N LEU A 17 -10.438 15.498 5.986 1.00 0.00 N ATOM 277 CA LEU A 17 -11.803 15.538 5.472 1.00 0.00 C ATOM 278 C LEU A 17 -12.283 14.142 5.090 1.00 0.00 C ATOM 279 O LEU A 17 -11.483 13.217 4.943 1.00 0.00 O ATOM 280 CB LEU A 17 -11.884 16.467 4.259 1.00 0.00 C ATOM 281 CG LEU A 17 -13.186 17.254 4.101 1.00 0.00 C ATOM 282 CD1 LEU A 17 -13.360 18.233 5.252 1.00 0.00 C ATOM 283 CD2 LEU A 17 -13.208 17.986 2.768 1.00 0.00 C ATOM 0 H LEU A 17 -9.737 15.881 5.352 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.451 15.921 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.059 17.177 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.732 15.871 3.359 1.00 0.00 H new ATOM 0 HG LEU A 17 -14.018 16.551 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.291 18.784 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.390 17.685 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.524 18.932 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.142 18.541 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.368 18.679 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.130 17.264 1.955 1.00 0.00 H new ATOM 295 N LEU A 18 -13.594 13.996 4.929 1.00 0.00 N ATOM 296 CA LEU A 18 -14.181 12.714 4.561 1.00 0.00 C ATOM 297 C LEU A 18 -13.491 12.131 3.331 1.00 0.00 C ATOM 298 O LEU A 18 -12.712 11.182 3.436 1.00 0.00 O ATOM 299 CB LEU A 18 -15.679 12.873 4.290 1.00 0.00 C ATOM 300 CG LEU A 18 -16.617 12.310 5.358 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.275 12.883 6.725 1.00 0.00 C ATOM 302 CD2 LEU A 18 -18.067 12.604 5.002 1.00 0.00 C ATOM 0 H LEU A 18 -14.270 14.751 5.048 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.040 12.027 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.895 13.934 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.910 12.389 3.341 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.485 11.229 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.953 12.471 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.249 12.621 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.378 13.968 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.721 12.196 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.214 13.682 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.307 12.145 4.043 1.00 0.00 H new ATOM 314 N ILE A 19 -13.780 12.704 2.168 1.00 0.00 N ATOM 315 CA ILE A 19 -13.185 12.244 0.921 1.00 0.00 C ATOM 316 C ILE A 19 -11.665 12.178 1.028 1.00 0.00 C ATOM 317 O ILE A 19 -11.032 11.284 0.468 1.00 0.00 O ATOM 318 CB ILE A 19 -13.565 13.161 -0.257 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.060 13.041 -0.563 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.739 12.815 -1.486 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.471 11.666 -1.037 1.00 0.00 C ATOM 0 H ILE A 19 -14.423 13.489 2.064 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.578 11.245 0.735 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.351 14.193 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.627 13.292 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.327 13.774 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.019 13.472 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.680 12.946 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.924 11.779 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.543 11.655 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.931 11.420 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.236 10.931 -0.267 1.00 0.00 H new ATOM 333 N GLU A 20 -11.086 13.130 1.753 1.00 0.00 N ATOM 334 CA GLU A 20 -9.640 13.179 1.935 1.00 0.00 C ATOM 335 C GLU A 20 -9.125 11.879 2.546 1.00 0.00 C ATOM 336 O GLU A 20 -8.219 11.244 2.007 1.00 0.00 O ATOM 337 CB GLU A 20 -9.255 14.362 2.825 1.00 0.00 C ATOM 338 CG GLU A 20 -9.263 15.697 2.100 1.00 0.00 C ATOM 339 CD GLU A 20 -8.713 16.826 2.951 1.00 0.00 C ATOM 340 OE1 GLU A 20 -8.214 16.545 4.059 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.782 17.990 2.505 1.00 0.00 O ATOM 0 H GLU A 20 -11.596 13.877 2.224 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.180 13.307 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.945 14.412 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.261 14.188 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.673 15.614 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.283 15.937 1.799 1.00 0.00 H new ATOM 348 N GLN A 21 -9.709 11.491 3.675 1.00 0.00 N ATOM 349 CA GLN A 21 -9.308 10.267 4.361 1.00 0.00 C ATOM 350 C GLN A 21 -9.581 9.043 3.494 1.00 0.00 C ATOM 351 O GLN A 21 -8.774 8.117 3.439 1.00 0.00 O ATOM 352 CB GLN A 21 -10.047 10.140 5.694 1.00 0.00 C ATOM 353 CG GLN A 21 -9.612 8.938 6.517 1.00 0.00 C ATOM 354 CD GLN A 21 -10.478 8.727 7.744 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.388 9.511 8.018 1.00 0.00 O ATOM 356 NE2 GLN A 21 -10.200 7.664 8.489 1.00 0.00 N ATOM 0 H GLN A 21 -10.461 12.005 4.134 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.236 10.321 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.886 11.047 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.118 10.070 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.647 8.044 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.575 9.070 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.437 7.041 8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.750 7.470 9.326 1.00 0.00 H new ATOM 365 N ALA A 22 -10.727 9.046 2.820 1.00 0.00 N ATOM 366 CA ALA A 22 -11.106 7.935 1.954 1.00 0.00 C ATOM 367 C ALA A 22 -10.117 7.774 0.804 1.00 0.00 C ATOM 368 O ALA A 22 -9.733 6.658 0.457 1.00 0.00 O ATOM 369 CB ALA A 22 -12.514 8.143 1.418 1.00 0.00 C ATOM 0 H ALA A 22 -11.408 9.804 2.857 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.086 7.020 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.785 7.307 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.215 8.201 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.552 9.070 0.846 1.00 0.00 H new ATOM 375 N ASN A 23 -9.711 8.894 0.217 1.00 0.00 N ATOM 376 CA ASN A 23 -8.769 8.876 -0.896 1.00 0.00 C ATOM 377 C ASN A 23 -7.399 8.380 -0.440 1.00 0.00 C ATOM 378 O ASN A 23 -6.745 7.604 -1.137 1.00 0.00 O ATOM 379 CB ASN A 23 -8.640 10.274 -1.505 1.00 0.00 C ATOM 380 CG ASN A 23 -8.700 10.250 -3.021 1.00 0.00 C ATOM 381 OD1 ASN A 23 -7.769 9.789 -3.682 1.00 0.00 O ATOM 382 ND2 ASN A 23 -9.796 10.749 -3.578 1.00 0.00 N ATOM 0 H ASN A 23 -10.019 9.826 0.493 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.152 8.191 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.438 10.910 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.697 10.720 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.892 10.761 -4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.543 11.121 -2.991 1.00 0.00 H new ATOM 389 N HIS A 24 -6.973 8.833 0.735 1.00 0.00 N ATOM 390 CA HIS A 24 -5.682 8.435 1.284 1.00 0.00 C ATOM 391 C HIS A 24 -5.663 6.942 1.600 1.00 0.00 C ATOM 392 O HIS A 24 -4.659 6.265 1.379 1.00 0.00 O ATOM 393 CB HIS A 24 -5.371 9.239 2.547 1.00 0.00 C ATOM 394 CG HIS A 24 -5.105 10.689 2.284 1.00 0.00 C ATOM 395 ND1 HIS A 24 -5.277 11.671 3.236 1.00 0.00 N ATOM 396 CD2 HIS A 24 -4.674 11.322 1.168 1.00 0.00 C ATOM 397 CE1 HIS A 24 -4.965 12.845 2.717 1.00 0.00 C ATOM 398 NE2 HIS A 24 -4.596 12.660 1.462 1.00 0.00 N ATOM 0 H HIS A 24 -7.503 9.475 1.325 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.918 8.640 0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.209 9.152 3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.503 8.803 3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.436 10.860 0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.005 13.794 3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.301 13.393 0.817 1.00 0.00 H new ATOM 406 N ALA A 25 -6.777 6.438 2.118 1.00 0.00 N ATOM 407 CA ALA A 25 -6.889 5.026 2.462 1.00 0.00 C ATOM 408 C ALA A 25 -6.858 4.152 1.213 1.00 0.00 C ATOM 409 O ALA A 25 -6.085 3.197 1.131 1.00 0.00 O ATOM 410 CB ALA A 25 -8.165 4.775 3.252 1.00 0.00 C ATOM 0 H ALA A 25 -7.616 6.986 2.309 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.032 4.760 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.236 3.716 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.147 5.364 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.028 5.064 2.652 1.00 0.00 H new ATOM 416 N ILE A 26 -7.702 4.485 0.243 1.00 0.00 N ATOM 417 CA ILE A 26 -7.769 3.730 -1.003 1.00 0.00 C ATOM 418 C ILE A 26 -6.461 3.833 -1.779 1.00 0.00 C ATOM 419 O ILE A 26 -6.066 2.897 -2.474 1.00 0.00 O ATOM 420 CB ILE A 26 -8.923 4.221 -1.897 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.673 5.662 -2.345 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.249 4.113 -1.157 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.780 6.229 -3.205 1.00 0.00 C ATOM 0 H ILE A 26 -8.349 5.272 0.295 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.947 2.689 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.971 3.588 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.550 6.292 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.736 5.704 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.055 4.464 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.429 3.073 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.213 4.725 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.535 7.253 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.889 5.623 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.716 6.220 -2.646 1.00 0.00 H new ATOM 435 N GLU A 27 -5.793 4.976 -1.656 1.00 0.00 N ATOM 436 CA GLU A 27 -4.528 5.199 -2.346 1.00 0.00 C ATOM 437 C GLU A 27 -3.434 4.296 -1.783 1.00 0.00 C ATOM 438 O GLU A 27 -2.811 3.526 -2.514 1.00 0.00 O ATOM 439 CB GLU A 27 -4.108 6.665 -2.223 1.00 0.00 C ATOM 440 CG GLU A 27 -2.882 7.018 -3.050 1.00 0.00 C ATOM 441 CD GLU A 27 -2.734 8.511 -3.267 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.425 9.224 -2.290 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.928 8.965 -4.413 1.00 0.00 O ATOM 0 H GLU A 27 -6.107 5.761 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.669 4.955 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.939 7.299 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.907 6.890 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.991 6.637 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.945 6.519 -4.017 1.00 0.00 H new ATOM 450 N LYS A 28 -3.206 4.397 -0.478 1.00 0.00 N ATOM 451 CA LYS A 28 -2.189 3.590 0.186 1.00 0.00 C ATOM 452 C LYS A 28 -2.488 2.102 0.033 1.00 0.00 C ATOM 453 O LYS A 28 -1.580 1.289 -0.132 1.00 0.00 O ATOM 454 CB LYS A 28 -2.105 3.956 1.670 1.00 0.00 C ATOM 455 CG LYS A 28 -0.961 3.276 2.400 1.00 0.00 C ATOM 456 CD LYS A 28 -1.102 3.412 3.907 1.00 0.00 C ATOM 457 CE LYS A 28 -0.805 4.831 4.369 1.00 0.00 C ATOM 458 NZ LYS A 28 -1.392 5.113 5.709 1.00 0.00 N ATOM 0 H LYS A 28 -3.712 5.030 0.141 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.230 3.799 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.993 5.036 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.044 3.689 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.932 2.220 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.014 3.712 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.113 3.135 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.423 2.718 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.274 4.982 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.202 5.540 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.167 6.089 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.424 4.993 5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.995 4.453 6.408 1.00 0.00 H new ATOM 472 N GLY A 29 -3.771 1.754 0.089 1.00 0.00 N ATOM 473 CA GLY A 29 -4.167 0.363 -0.045 1.00 0.00 C ATOM 474 C GLY A 29 -3.911 -0.180 -1.437 1.00 0.00 C ATOM 475 O GLY A 29 -3.422 -1.299 -1.591 1.00 0.00 O ATOM 0 H GLY A 29 -4.541 2.409 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.622 -0.239 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.227 0.266 0.191 1.00 0.00 H new ATOM 479 N GLU A 30 -4.241 0.613 -2.452 1.00 0.00 N ATOM 480 CA GLU A 30 -4.044 0.201 -3.837 1.00 0.00 C ATOM 481 C GLU A 30 -2.560 0.036 -4.150 1.00 0.00 C ATOM 482 O GLU A 30 -2.159 -0.912 -4.824 1.00 0.00 O ATOM 483 CB GLU A 30 -4.667 1.226 -4.788 1.00 0.00 C ATOM 484 CG GLU A 30 -6.003 0.787 -5.366 1.00 0.00 C ATOM 485 CD GLU A 30 -5.917 -0.546 -6.085 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.598 -0.549 -7.292 1.00 0.00 O ATOM 487 OE2 GLU A 30 -6.170 -1.585 -5.440 1.00 0.00 O ATOM 0 H GLU A 30 -4.645 1.543 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.535 -0.762 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.803 2.167 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.973 1.419 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.737 0.716 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.362 1.547 -6.059 1.00 0.00 H new ATOM 494 N HIS A 31 -1.750 0.968 -3.657 1.00 0.00 N ATOM 495 CA HIS A 31 -0.310 0.926 -3.883 1.00 0.00 C ATOM 496 C HIS A 31 0.312 -0.292 -3.206 1.00 0.00 C ATOM 497 O HIS A 31 1.008 -1.079 -3.846 1.00 0.00 O ATOM 498 CB HIS A 31 0.347 2.204 -3.361 1.00 0.00 C ATOM 499 CG HIS A 31 0.371 3.318 -4.363 1.00 0.00 C ATOM 500 ND1 HIS A 31 1.203 4.412 -4.252 1.00 0.00 N ATOM 501 CD2 HIS A 31 -0.341 3.502 -5.499 1.00 0.00 C ATOM 502 CE1 HIS A 31 1.000 5.221 -5.277 1.00 0.00 C ATOM 503 NE2 HIS A 31 0.068 4.691 -6.049 1.00 0.00 N ATOM 0 H HIS A 31 -2.066 1.761 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.138 0.850 -4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.185 2.539 -2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.369 1.979 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.092 2.837 -5.899 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.510 6.157 -5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.289 5.099 -6.913 1.00 0.00 H new ATOM 511 N GLN A 32 0.054 -0.439 -1.910 1.00 0.00 N ATOM 512 CA GLN A 32 0.590 -1.560 -1.149 1.00 0.00 C ATOM 513 C GLN A 32 0.086 -2.887 -1.705 1.00 0.00 C ATOM 514 O GLN A 32 0.796 -3.894 -1.678 1.00 0.00 O ATOM 515 CB GLN A 32 0.204 -1.433 0.326 1.00 0.00 C ATOM 516 CG GLN A 32 -1.261 -1.727 0.599 1.00 0.00 C ATOM 517 CD GLN A 32 -1.595 -1.710 2.078 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.518 -1.019 2.510 1.00 0.00 O ATOM 519 NE2 GLN A 32 -0.843 -2.472 2.864 1.00 0.00 N ATOM 0 H GLN A 32 -0.522 0.204 -1.366 1.00 0.00 H new ATOM 0 HA GLN A 32 1.676 -1.539 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.818 -2.115 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.433 -0.423 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.877 -0.991 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.515 -2.703 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.088 -3.029 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.020 -2.500 3.868 1.00 0.00 H new ATOM 528 N LEU A 33 -1.143 -2.884 -2.210 1.00 0.00 N ATOM 529 CA LEU A 33 -1.743 -4.087 -2.773 1.00 0.00 C ATOM 530 C LEU A 33 -1.031 -4.500 -4.058 1.00 0.00 C ATOM 531 O LEU A 33 -0.681 -5.668 -4.238 1.00 0.00 O ATOM 532 CB LEU A 33 -3.230 -3.858 -3.052 1.00 0.00 C ATOM 533 CG LEU A 33 -3.990 -5.039 -3.655 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.832 -5.059 -5.167 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.508 -6.349 -3.048 1.00 0.00 C ATOM 0 H LEU A 33 -1.744 -2.060 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.636 -4.891 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.716 -3.579 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.326 -3.008 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.049 -4.922 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.380 -5.907 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.227 -4.134 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.776 -5.151 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.060 -7.179 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.444 -6.473 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.675 -6.334 -1.971 1.00 0.00 H new ATOM 547 N LEU A 34 -0.820 -3.537 -4.947 1.00 0.00 N ATOM 548 CA LEU A 34 -0.148 -3.800 -6.214 1.00 0.00 C ATOM 549 C LEU A 34 1.269 -4.317 -5.984 1.00 0.00 C ATOM 550 O LEU A 34 1.710 -5.262 -6.637 1.00 0.00 O ATOM 551 CB LEU A 34 -0.107 -2.529 -7.065 1.00 0.00 C ATOM 552 CG LEU A 34 -1.460 -1.985 -7.523 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.410 -0.469 -7.649 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.872 -2.618 -8.844 1.00 0.00 C ATOM 0 H LEU A 34 -1.105 -2.567 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.713 -4.567 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.401 -1.751 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.501 -2.726 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.206 -2.243 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.382 -0.099 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.162 -0.032 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.651 -0.189 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.838 -2.218 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.125 -2.392 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.949 -3.698 -8.721 1.00 0.00 H new ATOM 566 N TYR A 35 1.975 -3.690 -5.048 1.00 0.00 N ATOM 567 CA TYR A 35 3.342 -4.087 -4.730 1.00 0.00 C ATOM 568 C TYR A 35 3.365 -5.427 -4.001 1.00 0.00 C ATOM 569 O TYR A 35 4.245 -6.258 -4.232 1.00 0.00 O ATOM 570 CB TYR A 35 4.019 -3.016 -3.874 1.00 0.00 C ATOM 571 CG TYR A 35 5.297 -3.485 -3.214 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.273 -4.097 -1.966 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.526 -3.318 -3.839 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.438 -4.527 -1.360 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.696 -3.747 -3.241 1.00 0.00 C ATOM 576 CZ TYR A 35 7.646 -4.350 -2.002 1.00 0.00 C ATOM 577 OH TYR A 35 8.809 -4.777 -1.402 1.00 0.00 O ATOM 0 H TYR A 35 1.624 -2.906 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 35 3.890 -4.195 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.239 -2.150 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.323 -2.685 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.328 -4.239 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.568 -2.845 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.403 -4.999 -0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.643 -3.611 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 35 9.570 -4.579 -1.986 1.00 0.00 H new ATOM 587 N LEU A 36 2.392 -5.630 -3.120 1.00 0.00 N ATOM 588 CA LEU A 36 2.299 -6.869 -2.357 1.00 0.00 C ATOM 589 C LEU A 36 1.957 -8.046 -3.266 1.00 0.00 C ATOM 590 O LEU A 36 2.345 -9.183 -2.998 1.00 0.00 O ATOM 591 CB LEU A 36 1.242 -6.736 -1.258 1.00 0.00 C ATOM 592 CG LEU A 36 1.700 -6.061 0.035 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.508 -5.756 0.929 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.707 -6.938 0.766 1.00 0.00 C ATOM 0 H LEU A 36 1.657 -4.953 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 36 3.270 -7.058 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.399 -6.174 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.874 -7.732 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 36 2.186 -5.120 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.853 -5.276 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.178 -5.089 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.007 -6.684 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.022 -6.442 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.246 -7.895 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.575 -7.106 0.128 1.00 0.00 H new ATOM 606 N GLN A 37 1.229 -7.763 -4.342 1.00 0.00 N ATOM 607 CA GLN A 37 0.837 -8.798 -5.292 1.00 0.00 C ATOM 608 C GLN A 37 2.046 -9.614 -5.737 1.00 0.00 C ATOM 609 O GLN A 37 1.936 -10.812 -6.003 1.00 0.00 O ATOM 610 CB GLN A 37 0.154 -8.170 -6.508 1.00 0.00 C ATOM 611 CG GLN A 37 -1.091 -8.916 -6.959 1.00 0.00 C ATOM 612 CD GLN A 37 -2.106 -9.082 -5.846 1.00 0.00 C ATOM 613 OE1 GLN A 37 -3.030 -8.133 -5.740 1.00 0.00 O flip ATOM 614 NE2 GLN A 37 -2.062 -10.052 -5.088 1.00 0.00 N flip ATOM 0 H GLN A 37 0.899 -6.827 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 37 0.134 -9.466 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.115 -7.140 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.864 -8.132 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.551 -8.379 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.805 -9.899 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.335 -10.758 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.752 -10.149 -4.344 1.00 0.00 H new ATOM 623 N HIS A 38 3.200 -8.958 -5.817 1.00 0.00 N ATOM 624 CA HIS A 38 4.430 -9.624 -6.231 1.00 0.00 C ATOM 625 C HIS A 38 4.842 -10.685 -5.215 1.00 0.00 C ATOM 626 O HIS A 38 5.066 -11.842 -5.568 1.00 0.00 O ATOM 627 CB HIS A 38 5.555 -8.602 -6.403 1.00 0.00 C ATOM 628 CG HIS A 38 5.634 -8.026 -7.783 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.268 -8.662 -8.829 1.00 0.00 N ATOM 630 CD2 HIS A 38 5.153 -6.865 -8.285 1.00 0.00 C ATOM 631 CE1 HIS A 38 6.175 -7.916 -9.916 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.502 -6.821 -9.613 1.00 0.00 N ATOM 0 H HIS A 38 3.309 -7.967 -5.601 1.00 0.00 H new ATOM 0 HA HIS A 38 4.245 -10.114 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.412 -7.792 -5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.506 -9.076 -6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.598 -6.113 -7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.580 -8.160 -10.887 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.278 -6.065 -10.260 1.00 0.00 H new ATOM 640 N GLN A 39 4.939 -10.282 -3.951 1.00 0.00 N ATOM 641 CA GLN A 39 5.326 -11.198 -2.885 1.00 0.00 C ATOM 642 C GLN A 39 4.370 -12.385 -2.815 1.00 0.00 C ATOM 643 O GLN A 39 4.793 -13.525 -2.625 1.00 0.00 O ATOM 644 CB GLN A 39 5.351 -10.468 -1.541 1.00 0.00 C ATOM 645 CG GLN A 39 6.282 -9.266 -1.520 1.00 0.00 C ATOM 646 CD GLN A 39 7.740 -9.659 -1.387 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.061 -10.752 -0.920 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.633 -8.767 -1.799 1.00 0.00 N ATOM 0 H GLN A 39 4.755 -9.328 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 39 6.326 -11.572 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.341 -10.139 -1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.656 -11.167 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.147 -8.691 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.008 -8.614 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.323 -7.873 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.629 -8.976 -1.735 1.00 0.00 H new ATOM 657 N LEU A 40 3.080 -12.109 -2.968 1.00 0.00 N ATOM 658 CA LEU A 40 2.063 -13.154 -2.921 1.00 0.00 C ATOM 659 C LEU A 40 2.220 -14.118 -4.092 1.00 0.00 C ATOM 660 O LEU A 40 2.106 -15.333 -3.927 1.00 0.00 O ATOM 661 CB LEU A 40 0.664 -12.533 -2.940 1.00 0.00 C ATOM 662 CG LEU A 40 -0.506 -13.515 -2.874 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.832 -14.049 -4.260 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.191 -14.657 -1.920 1.00 0.00 C ATOM 0 H LEU A 40 2.713 -11.170 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 40 2.193 -13.713 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.582 -11.844 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.564 -11.940 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.380 -12.985 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.667 -14.746 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.102 -13.221 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.039 -14.563 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.035 -15.346 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.696 -15.187 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.008 -14.258 -0.922 1.00 0.00 H new ATOM 676 N ASP A 41 2.483 -13.570 -5.272 1.00 0.00 N ATOM 677 CA ASP A 41 2.659 -14.382 -6.471 1.00 0.00 C ATOM 678 C ASP A 41 3.814 -15.363 -6.297 1.00 0.00 C ATOM 679 O ASP A 41 3.661 -16.562 -6.525 1.00 0.00 O ATOM 680 CB ASP A 41 2.911 -13.488 -7.686 1.00 0.00 C ATOM 681 CG ASP A 41 2.825 -14.250 -8.994 1.00 0.00 C ATOM 682 OD1 ASP A 41 2.436 -15.437 -8.965 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.146 -13.661 -10.046 1.00 0.00 O ATOM 0 H ASP A 41 2.579 -12.566 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 41 1.743 -14.951 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.183 -12.676 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.897 -13.031 -7.599 1.00 0.00 H new ATOM 688 N GLU A 42 4.970 -14.843 -5.894 1.00 0.00 N ATOM 689 CA GLU A 42 6.150 -15.675 -5.693 1.00 0.00 C ATOM 690 C GLU A 42 5.978 -16.579 -4.476 1.00 0.00 C ATOM 691 O GLU A 42 6.570 -17.657 -4.401 1.00 0.00 O ATOM 692 CB GLU A 42 7.394 -14.800 -5.519 1.00 0.00 C ATOM 693 CG GLU A 42 7.600 -14.310 -4.096 1.00 0.00 C ATOM 694 CD GLU A 42 8.570 -15.176 -3.316 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.134 -16.215 -2.776 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.763 -14.816 -3.245 1.00 0.00 O ATOM 0 H GLU A 42 5.114 -13.852 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 42 6.275 -16.302 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.272 -15.366 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.318 -13.939 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.971 -13.285 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.640 -14.290 -3.580 1.00 0.00 H new ATOM 703 N LEU A 43 5.165 -16.133 -3.526 1.00 0.00 N ATOM 704 CA LEU A 43 4.914 -16.901 -2.310 1.00 0.00 C ATOM 705 C LEU A 43 4.073 -18.138 -2.612 1.00 0.00 C ATOM 706 O LEU A 43 4.230 -19.177 -1.973 1.00 0.00 O ATOM 707 CB LEU A 43 4.207 -16.030 -1.270 1.00 0.00 C ATOM 708 CG LEU A 43 3.887 -16.705 0.064 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.599 -17.506 -0.037 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.040 -17.598 0.500 1.00 0.00 C ATOM 0 H LEU A 43 4.668 -15.244 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 43 5.874 -17.226 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.829 -15.157 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.275 -15.666 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 43 3.749 -15.929 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.388 -17.979 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.777 -16.841 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.707 -18.273 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.795 -18.070 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.210 -18.367 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.942 -16.997 0.615 1.00 0.00 H new ATOM 722 N ASN A 44 3.182 -18.016 -3.590 1.00 0.00 N ATOM 723 CA ASN A 44 2.316 -19.125 -3.976 1.00 0.00 C ATOM 724 C ASN A 44 3.141 -20.337 -4.398 1.00 0.00 C ATOM 725 O ASN A 44 2.808 -21.473 -4.064 1.00 0.00 O ATOM 726 CB ASN A 44 1.391 -18.702 -5.119 1.00 0.00 C ATOM 727 CG ASN A 44 0.519 -17.516 -4.749 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.385 -16.566 -5.519 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.077 -17.569 -3.564 1.00 0.00 N ATOM 0 H ASN A 44 3.040 -17.162 -4.129 1.00 0.00 H new ATOM 0 HA ASN A 44 1.713 -19.401 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.991 -18.450 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.756 -19.543 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.675 -16.801 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.063 -18.378 -2.958 1.00 0.00 H new ATOM 736 N GLU A 45 4.220 -20.085 -5.133 1.00 0.00 N ATOM 737 CA GLU A 45 5.092 -21.156 -5.601 1.00 0.00 C ATOM 738 C GLU A 45 6.202 -21.434 -4.590 1.00 0.00 C ATOM 739 O GLU A 45 6.463 -22.583 -4.238 1.00 0.00 O ATOM 740 CB GLU A 45 5.701 -20.794 -6.957 1.00 0.00 C ATOM 741 CG GLU A 45 6.461 -21.937 -7.607 1.00 0.00 C ATOM 742 CD GLU A 45 7.271 -21.491 -8.809 1.00 0.00 C ATOM 743 OE1 GLU A 45 7.141 -20.315 -9.208 1.00 0.00 O ATOM 744 OE2 GLU A 45 8.033 -22.317 -9.351 1.00 0.00 O ATOM 0 H GLU A 45 4.511 -19.149 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 45 4.490 -22.058 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.906 -20.470 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.375 -19.947 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.127 -22.389 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.755 -22.709 -7.915 1.00 0.00 H new ATOM 751 N ASN A 46 6.853 -20.371 -4.129 1.00 0.00 N ATOM 752 CA ASN A 46 7.936 -20.498 -3.161 1.00 0.00 C ATOM 753 C ASN A 46 7.461 -21.225 -1.906 1.00 0.00 C ATOM 754 O ASN A 46 8.210 -21.985 -1.293 1.00 0.00 O ATOM 755 CB ASN A 46 8.482 -19.118 -2.789 1.00 0.00 C ATOM 756 CG ASN A 46 9.278 -18.488 -3.915 1.00 0.00 C ATOM 757 OD1 ASN A 46 8.969 -18.681 -5.092 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.308 -17.730 -3.560 1.00 0.00 N ATOM 0 H ASN A 46 6.649 -19.412 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 46 8.733 -21.084 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.653 -18.462 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.115 -19.207 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.880 -17.280 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.528 -17.598 -2.573 1.00 0.00 H new ATOM 765 N LYS A 47 6.210 -20.985 -1.529 1.00 0.00 N ATOM 766 CA LYS A 47 5.632 -21.617 -0.348 1.00 0.00 C ATOM 767 C LYS A 47 6.464 -21.314 0.893 1.00 0.00 C ATOM 768 O LYS A 47 6.509 -22.110 1.831 1.00 0.00 O ATOM 769 CB LYS A 47 5.531 -23.130 -0.552 1.00 0.00 C ATOM 770 CG LYS A 47 4.754 -23.527 -1.795 1.00 0.00 C ATOM 771 CD LYS A 47 3.266 -23.639 -1.509 1.00 0.00 C ATOM 772 CE LYS A 47 2.559 -24.486 -2.556 1.00 0.00 C ATOM 773 NZ LYS A 47 3.089 -25.877 -2.593 1.00 0.00 N ATOM 0 H LYS A 47 5.576 -20.357 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 47 4.632 -21.209 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.536 -23.547 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.054 -23.575 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.920 -22.790 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.127 -24.481 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.116 -24.078 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.823 -22.643 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.490 -24.510 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.678 -24.026 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.360 -26.516 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.930 -25.912 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.348 -26.176 -1.631 1.00 0.00 H new ATOM 787 N SER A 48 7.121 -20.159 0.893 1.00 0.00 N ATOM 788 CA SER A 48 7.954 -19.752 2.019 1.00 0.00 C ATOM 789 C SER A 48 7.108 -19.532 3.270 1.00 0.00 C ATOM 790 O SER A 48 6.174 -18.729 3.268 1.00 0.00 O ATOM 791 CB SER A 48 8.722 -18.475 1.677 1.00 0.00 C ATOM 792 OG SER A 48 9.953 -18.774 1.042 1.00 0.00 O ATOM 0 H SER A 48 7.093 -19.488 0.125 1.00 0.00 H new ATOM 0 HA SER A 48 8.666 -20.552 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.116 -17.846 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.908 -17.904 2.587 1.00 0.00 H new ATOM 0 HG SER A 48 10.424 -17.940 0.832 1.00 0.00 H new ATOM 798 N LYS A 49 7.441 -20.249 4.336 1.00 0.00 N ATOM 799 CA LYS A 49 6.715 -20.133 5.595 1.00 0.00 C ATOM 800 C LYS A 49 6.848 -18.727 6.172 1.00 0.00 C ATOM 801 O LYS A 49 5.867 -18.133 6.615 1.00 0.00 O ATOM 802 CB LYS A 49 7.232 -21.162 6.603 1.00 0.00 C ATOM 803 CG LYS A 49 8.737 -21.115 6.802 1.00 0.00 C ATOM 804 CD LYS A 49 9.328 -22.510 6.913 1.00 0.00 C ATOM 805 CE LYS A 49 10.760 -22.552 6.403 1.00 0.00 C ATOM 806 NZ LYS A 49 11.196 -23.940 6.084 1.00 0.00 N ATOM 0 H LYS A 49 8.211 -20.918 4.354 1.00 0.00 H new ATOM 0 HA LYS A 49 5.661 -20.327 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.742 -20.997 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.949 -22.160 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.199 -20.588 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.968 -20.548 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.302 -22.836 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.717 -23.211 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.846 -21.931 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.425 -22.126 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.177 -23.925 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.138 -24.527 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.577 -24.338 5.349 1.00 0.00 H new ATOM 820 N GLU A 50 8.070 -18.203 6.162 1.00 0.00 N ATOM 821 CA GLU A 50 8.330 -16.866 6.686 1.00 0.00 C ATOM 822 C GLU A 50 7.648 -15.804 5.828 1.00 0.00 C ATOM 823 O GLU A 50 7.102 -14.829 6.346 1.00 0.00 O ATOM 824 CB GLU A 50 9.837 -16.602 6.742 1.00 0.00 C ATOM 825 CG GLU A 50 10.549 -16.851 5.423 1.00 0.00 C ATOM 826 CD GLU A 50 12.033 -16.551 5.495 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.729 -17.190 6.311 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.499 -15.676 4.734 1.00 0.00 O ATOM 0 H GLU A 50 8.894 -18.682 5.798 1.00 0.00 H new ATOM 0 HA GLU A 50 7.920 -16.811 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.005 -15.569 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.280 -17.237 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.406 -17.891 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.095 -16.234 4.647 1.00 0.00 H new ATOM 835 N LEU A 51 7.684 -16.000 4.515 1.00 0.00 N ATOM 836 CA LEU A 51 7.070 -15.059 3.584 1.00 0.00 C ATOM 837 C LEU A 51 5.558 -15.007 3.781 1.00 0.00 C ATOM 838 O LEU A 51 4.954 -13.936 3.737 1.00 0.00 O ATOM 839 CB LEU A 51 7.394 -15.453 2.142 1.00 0.00 C ATOM 840 CG LEU A 51 7.003 -14.440 1.066 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.563 -13.065 1.399 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.491 -14.899 -0.300 1.00 0.00 C ATOM 0 H LEU A 51 8.132 -16.802 4.071 1.00 0.00 H new ATOM 0 HA LEU A 51 7.479 -14.069 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.466 -15.636 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.894 -16.397 1.923 1.00 0.00 H new ATOM 0 HG LEU A 51 5.916 -14.370 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.275 -12.357 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.166 -12.733 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.650 -13.119 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.204 -14.166 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.576 -14.998 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.043 -15.863 -0.542 1.00 0.00 H new ATOM 854 N GLN A 52 4.954 -16.170 4.002 1.00 0.00 N ATOM 855 CA GLN A 52 3.513 -16.256 4.208 1.00 0.00 C ATOM 856 C GLN A 52 3.124 -15.695 5.571 1.00 0.00 C ATOM 857 O GLN A 52 2.036 -15.144 5.737 1.00 0.00 O ATOM 858 CB GLN A 52 3.045 -17.707 4.088 1.00 0.00 C ATOM 859 CG GLN A 52 2.889 -18.409 5.427 1.00 0.00 C ATOM 860 CD GLN A 52 1.558 -18.113 6.089 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.678 -17.493 5.491 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.403 -18.555 7.332 1.00 0.00 N ATOM 0 H GLN A 52 5.440 -17.066 4.043 1.00 0.00 H new ATOM 0 HA GLN A 52 3.025 -15.660 3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.091 -17.730 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.759 -18.261 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.987 -19.485 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.697 -18.101 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.159 -19.065 7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.528 -18.385 7.828 1.00 0.00 H new ATOM 871 N GLU A 53 4.019 -15.840 6.543 1.00 0.00 N ATOM 872 CA GLU A 53 3.767 -15.347 7.893 1.00 0.00 C ATOM 873 C GLU A 53 3.840 -13.824 7.939 1.00 0.00 C ATOM 874 O GLU A 53 3.087 -13.176 8.666 1.00 0.00 O ATOM 875 CB GLU A 53 4.775 -15.948 8.875 1.00 0.00 C ATOM 876 CG GLU A 53 4.381 -17.324 9.385 1.00 0.00 C ATOM 877 CD GLU A 53 3.299 -17.266 10.445 1.00 0.00 C ATOM 878 OE1 GLU A 53 2.640 -16.210 10.562 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.110 -18.274 11.157 1.00 0.00 O ATOM 0 H GLU A 53 4.924 -16.294 6.422 1.00 0.00 H new ATOM 0 HA GLU A 53 2.762 -15.653 8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.748 -16.015 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.889 -15.274 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.033 -17.931 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.260 -17.821 9.796 1.00 0.00 H new ATOM 886 N LYS A 54 4.754 -13.258 7.158 1.00 0.00 N ATOM 887 CA LYS A 54 4.927 -11.811 7.106 1.00 0.00 C ATOM 888 C LYS A 54 3.810 -11.157 6.301 1.00 0.00 C ATOM 889 O LYS A 54 3.286 -10.111 6.685 1.00 0.00 O ATOM 890 CB LYS A 54 6.285 -11.461 6.494 1.00 0.00 C ATOM 891 CG LYS A 54 7.467 -11.898 7.342 1.00 0.00 C ATOM 892 CD LYS A 54 8.477 -10.776 7.511 1.00 0.00 C ATOM 893 CE LYS A 54 7.908 -9.632 8.336 1.00 0.00 C ATOM 894 NZ LYS A 54 8.250 -9.766 9.779 1.00 0.00 N ATOM 0 H LYS A 54 5.387 -13.780 6.552 1.00 0.00 H new ATOM 0 HA LYS A 54 4.886 -11.429 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.362 -11.927 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.338 -10.383 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.114 -12.221 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.951 -12.757 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.374 -11.163 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.777 -10.405 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.293 -8.685 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.824 -9.605 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.844 -8.967 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.861 -10.658 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.284 -9.767 9.892 1.00 0.00 H new ATOM 908 N ILE A 55 3.449 -11.779 5.183 1.00 0.00 N ATOM 909 CA ILE A 55 2.392 -11.258 4.327 1.00 0.00 C ATOM 910 C ILE A 55 1.043 -11.294 5.035 1.00 0.00 C ATOM 911 O ILE A 55 0.323 -10.295 5.071 1.00 0.00 O ATOM 912 CB ILE A 55 2.291 -12.054 3.011 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.563 -11.873 2.182 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.069 -11.613 2.219 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.754 -12.941 1.127 1.00 0.00 C ATOM 0 H ILE A 55 3.874 -12.644 4.850 1.00 0.00 H new ATOM 0 HA ILE A 55 2.651 -10.224 4.098 1.00 0.00 H new ATOM 0 HB ILE A 55 2.183 -13.112 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.536 -10.897 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.425 -11.874 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.011 -12.184 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.170 -11.788 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.150 -10.551 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.676 -12.749 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.813 -13.919 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.911 -12.926 0.437 1.00 0.00 H new ATOM 927 N ILE A 56 0.706 -12.450 5.597 1.00 0.00 N ATOM 928 CA ILE A 56 -0.556 -12.614 6.307 1.00 0.00 C ATOM 929 C ILE A 56 -0.654 -11.652 7.486 1.00 0.00 C ATOM 930 O ILE A 56 -1.736 -11.167 7.816 1.00 0.00 O ATOM 931 CB ILE A 56 -0.730 -14.056 6.821 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.157 -14.273 7.326 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.278 -14.351 7.922 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.479 -15.720 7.626 1.00 0.00 C ATOM 0 H ILE A 56 1.289 -13.286 5.574 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.349 -12.392 5.593 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.549 -14.744 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.308 -13.681 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.858 -13.901 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.143 -15.373 8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.289 -14.233 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.126 -13.658 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.507 -15.798 7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.360 -16.314 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.802 -16.092 8.395 1.00 0.00 H new ATOM 946 N ARG A 57 0.484 -11.378 8.115 1.00 0.00 N ATOM 947 CA ARG A 57 0.527 -10.472 9.256 1.00 0.00 C ATOM 948 C ARG A 57 0.234 -9.038 8.824 1.00 0.00 C ATOM 949 O ARG A 57 -0.653 -8.384 9.372 1.00 0.00 O ATOM 950 CB ARG A 57 1.895 -10.540 9.938 1.00 0.00 C ATOM 951 CG ARG A 57 1.879 -11.284 11.263 1.00 0.00 C ATOM 952 CD ARG A 57 1.330 -12.693 11.105 1.00 0.00 C ATOM 953 NE ARG A 57 -0.003 -12.830 11.685 1.00 0.00 N ATOM 954 CZ ARG A 57 -0.636 -13.992 11.807 1.00 0.00 C ATOM 955 NH1 ARG A 57 -0.059 -15.112 11.392 1.00 0.00 N ATOM 956 NH2 ARG A 57 -1.847 -14.037 12.346 1.00 0.00 N ATOM 0 H ARG A 57 1.388 -11.771 7.854 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.241 -10.784 9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.602 -11.026 9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.259 -9.526 10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.890 -11.330 11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.272 -10.735 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.293 -12.951 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.007 -13.401 11.582 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.474 -11.988 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.873 -15.083 10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.547 -16.003 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.294 -13.179 12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.331 -14.930 12.439 1.00 0.00 H new ATOM 970 N GLU A 58 0.986 -8.557 7.838 1.00 0.00 N ATOM 971 CA GLU A 58 0.806 -7.201 7.334 1.00 0.00 C ATOM 972 C GLU A 58 -0.563 -7.041 6.679 1.00 0.00 C ATOM 973 O GLU A 58 -1.222 -6.012 6.837 1.00 0.00 O ATOM 974 CB GLU A 58 1.907 -6.857 6.330 1.00 0.00 C ATOM 975 CG GLU A 58 3.254 -6.575 6.975 1.00 0.00 C ATOM 976 CD GLU A 58 4.376 -6.464 5.960 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.311 -5.558 5.103 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.316 -7.283 6.023 1.00 0.00 O ATOM 0 H GLU A 58 1.724 -9.086 7.374 1.00 0.00 H new ATOM 0 HA GLU A 58 0.867 -6.515 8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.016 -7.683 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.601 -5.985 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.192 -5.648 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.487 -7.370 7.683 1.00 0.00 H new ATOM 985 N LEU A 59 -0.985 -8.063 5.944 1.00 0.00 N ATOM 986 CA LEU A 59 -2.275 -8.036 5.265 1.00 0.00 C ATOM 987 C LEU A 59 -3.421 -8.049 6.270 1.00 0.00 C ATOM 988 O LEU A 59 -4.464 -7.436 6.046 1.00 0.00 O ATOM 989 CB LEU A 59 -2.399 -9.232 4.318 1.00 0.00 C ATOM 990 CG LEU A 59 -3.431 -9.096 3.198 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.139 -7.871 2.346 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.455 -10.352 2.339 1.00 0.00 C ATOM 0 H LEU A 59 -0.452 -8.921 5.803 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.334 -7.114 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.424 -9.415 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.647 -10.114 4.909 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.414 -8.971 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.884 -7.792 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.175 -6.977 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.148 -7.964 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.195 -10.237 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.471 -10.509 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.716 -11.211 2.957 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.219 -8.750 7.381 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.233 -8.840 8.425 1.00 0.00 C ATOM 1006 C ASP A 60 -4.413 -7.497 9.125 1.00 0.00 C ATOM 1007 O ASP A 60 -5.524 -6.971 9.206 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.852 -9.914 9.444 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.893 -10.070 10.537 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -4.891 -9.250 11.479 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.709 -11.010 10.448 1.00 0.00 O ATOM 0 H ASP A 60 -2.361 -9.264 7.581 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.178 -9.114 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.722 -10.867 8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.892 -9.660 9.894 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.314 -6.947 9.630 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.350 -5.664 10.323 1.00 0.00 C ATOM 1018 C VAL A 61 -3.895 -4.565 9.419 1.00 0.00 C ATOM 1019 O VAL A 61 -4.715 -3.750 9.839 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.951 -5.257 10.823 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.488 -6.188 11.933 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.956 -5.251 9.672 1.00 0.00 C ATOM 0 H VAL A 61 -2.387 -7.369 9.573 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.013 -5.786 11.180 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.009 -4.247 11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.498 -5.884 12.273 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.189 -6.138 12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.445 -7.210 11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.027 -4.961 10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.900 -6.248 9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.282 -4.540 8.913 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.432 -4.549 8.173 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.873 -3.551 7.206 1.00 0.00 C ATOM 1034 C VAL A 62 -5.351 -3.726 6.872 1.00 0.00 C ATOM 1035 O VAL A 62 -6.145 -2.795 7.015 1.00 0.00 O ATOM 1036 CB VAL A 62 -3.051 -3.625 5.907 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.656 -2.726 4.839 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.601 -3.251 6.171 1.00 0.00 C ATOM 0 H VAL A 62 -2.751 -5.216 7.810 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.721 -2.575 7.666 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.076 -4.651 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.061 -2.792 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.677 -3.046 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.664 -1.695 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.035 -3.309 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.553 -2.235 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.174 -3.941 6.899 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.712 -4.923 6.425 1.00 0.00 N ATOM 1049 CA CYS A 63 -7.095 -5.221 6.069 1.00 0.00 C ATOM 1050 C CYS A 63 -8.037 -4.891 7.222 1.00 0.00 C ATOM 1051 O CYS A 63 -9.192 -4.522 7.007 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.238 -6.694 5.683 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.880 -7.141 5.073 1.00 0.00 S ATOM 0 H CYS A 63 -5.067 -5.703 6.300 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.366 -4.601 5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.500 -6.931 4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.004 -7.310 6.551 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.901 -8.405 4.771 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.535 -5.026 8.445 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.332 -4.742 9.633 1.00 0.00 C ATOM 1061 C ALA A 64 -8.565 -3.244 9.791 1.00 0.00 C ATOM 1062 O ALA A 64 -9.706 -2.784 9.824 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.652 -5.305 10.871 1.00 0.00 C ATOM 0 H ALA A 64 -6.581 -5.330 8.639 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.302 -5.224 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.258 -5.086 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.542 -6.384 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.669 -4.849 10.985 1.00 0.00 H new ATOM 1069 N MET A 65 -7.477 -2.487 9.889 1.00 0.00 N ATOM 1070 CA MET A 65 -7.565 -1.039 10.044 1.00 0.00 C ATOM 1071 C MET A 65 -8.299 -0.410 8.863 1.00 0.00 C ATOM 1072 O MET A 65 -9.087 0.521 9.035 1.00 0.00 O ATOM 1073 CB MET A 65 -6.167 -0.433 10.172 1.00 0.00 C ATOM 1074 CG MET A 65 -5.285 -0.677 8.957 1.00 0.00 C ATOM 1075 SD MET A 65 -3.638 0.035 9.141 1.00 0.00 S ATOM 1076 CE MET A 65 -2.779 -1.306 9.958 1.00 0.00 C ATOM 0 H MET A 65 -6.525 -2.852 9.864 1.00 0.00 H new ATOM 0 HA MET A 65 -8.129 -0.829 10.953 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.259 0.641 10.334 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.679 -0.848 11.054 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.196 -1.750 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.764 -0.253 8.074 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.949 -0.905 10.540 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.468 -1.829 10.621 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.396 -2.002 9.211 1.00 0.00 H new ATOM 1086 N ILE A 66 -8.035 -0.923 7.666 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.670 -0.411 6.459 1.00 0.00 C ATOM 1088 C ILE A 66 -10.166 -0.707 6.458 1.00 0.00 C ATOM 1089 O ILE A 66 -10.983 0.172 6.190 1.00 0.00 O ATOM 1090 CB ILE A 66 -8.038 -1.013 5.191 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.962 -0.076 4.637 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -9.106 -1.280 4.141 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.759 0.065 5.543 1.00 0.00 C ATOM 0 H ILE A 66 -7.385 -1.693 7.507 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.515 0.668 6.454 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.569 -1.961 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.634 -0.447 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.399 0.909 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.643 -1.705 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.840 -1.981 4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.602 -0.345 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.038 0.743 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.074 0.465 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.297 -0.911 5.689 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.517 -1.954 6.760 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.916 -2.366 6.794 1.00 0.00 C ATOM 1107 C GLU A 67 -12.719 -1.484 7.745 1.00 0.00 C ATOM 1108 O GLU A 67 -13.761 -0.942 7.375 1.00 0.00 O ATOM 1109 CB GLU A 67 -12.028 -3.831 7.222 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.916 -4.812 6.067 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.879 -6.256 6.531 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.278 -6.525 7.592 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.452 -7.118 5.831 1.00 0.00 O ATOM 0 H GLU A 67 -9.853 -2.695 6.984 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.326 -2.256 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.247 -4.049 7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.983 -3.982 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.761 -4.672 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.013 -4.594 5.496 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.229 -1.346 8.972 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.914 -0.530 9.958 1.00 0.00 C ATOM 1122 C GLY A 68 -12.982 0.930 9.555 1.00 0.00 C ATOM 1123 O GLY A 68 -14.035 1.559 9.655 1.00 0.00 O ATOM 0 H GLY A 68 -11.369 -1.785 9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.925 -0.912 10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.401 -0.616 10.916 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.855 1.469 9.101 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.791 2.864 8.682 1.00 0.00 C ATOM 1129 C ALA A 69 -12.756 3.137 7.533 1.00 0.00 C ATOM 1130 O ALA A 69 -13.610 4.019 7.623 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.371 3.230 8.279 1.00 0.00 C ATOM 0 H ALA A 69 -10.975 0.961 9.014 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.088 3.485 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.339 4.274 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.703 3.083 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.053 2.596 7.452 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.613 2.375 6.453 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.471 2.537 5.285 1.00 0.00 C ATOM 1139 C GLN A 70 -14.932 2.288 5.645 1.00 0.00 C ATOM 1140 O GLN A 70 -15.835 2.896 5.071 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.038 1.581 4.172 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.491 0.146 4.392 1.00 0.00 C ATOM 1143 CD GLN A 70 -13.063 -0.779 3.269 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.541 -1.868 3.510 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.283 -0.350 2.032 1.00 0.00 N ATOM 0 H GLN A 70 -11.912 1.640 6.363 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.372 3.563 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.437 1.938 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.951 1.602 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.083 -0.220 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.577 0.122 4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.718 0.559 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.017 -0.930 1.236 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.157 1.390 6.599 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.511 1.076 7.018 1.00 0.00 C ATOM 1156 C GLY A 71 -17.205 2.258 7.667 1.00 0.00 C ATOM 1157 O GLY A 71 -18.315 2.622 7.281 1.00 0.00 O ATOM 0 H GLY A 71 -14.426 0.874 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.089 0.749 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.487 0.242 7.720 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.551 2.859 8.655 1.00 0.00 N ATOM 1162 CA ALA A 72 -17.112 4.006 9.358 1.00 0.00 C ATOM 1163 C ALA A 72 -17.169 5.230 8.450 1.00 0.00 C ATOM 1164 O ALA A 72 -18.158 5.964 8.443 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.298 4.310 10.606 1.00 0.00 C ATOM 0 H ALA A 72 -15.631 2.570 8.987 1.00 0.00 H new ATOM 0 HA ALA A 72 -18.131 3.757 9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.728 5.169 11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.312 3.445 11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.269 4.534 10.324 1.00 0.00 H new ATOM 1171 N LEU A 73 -16.103 5.446 7.687 1.00 0.00 N ATOM 1172 CA LEU A 73 -16.033 6.583 6.776 1.00 0.00 C ATOM 1173 C LEU A 73 -17.137 6.509 5.726 1.00 0.00 C ATOM 1174 O LEU A 73 -17.873 7.474 5.517 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.665 6.629 6.092 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.102 8.022 5.811 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.708 7.924 5.211 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -15.029 8.796 4.885 1.00 0.00 C ATOM 0 H LEU A 73 -15.276 4.849 7.681 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.173 7.493 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.951 6.089 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.735 6.090 5.147 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.032 8.561 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.324 8.926 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.047 7.410 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.753 7.366 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.612 9.785 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.132 8.260 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.008 8.898 5.353 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.247 5.359 5.070 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.263 5.159 4.043 1.00 0.00 C ATOM 1192 C GLU A 74 -19.665 5.277 4.635 1.00 0.00 C ATOM 1193 O GLU A 74 -20.533 5.946 4.074 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.090 3.791 3.381 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.924 3.728 2.411 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.900 2.440 1.609 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -16.430 1.416 2.148 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -17.351 2.457 0.446 1.00 0.00 O ATOM 0 H GLU A 74 -16.645 4.551 5.231 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.139 5.936 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.948 3.037 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.007 3.535 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.978 4.576 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.990 3.824 2.965 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.878 4.621 5.771 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.175 4.650 6.438 1.00 0.00 C ATOM 1207 C ARG A 75 -21.499 6.056 6.934 1.00 0.00 C ATOM 1208 O ARG A 75 -22.666 6.426 7.058 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.190 3.668 7.611 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.588 3.249 8.036 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.124 2.129 7.160 1.00 0.00 C ATOM 1212 NE ARG A 75 -24.562 1.934 7.339 1.00 0.00 N ATOM 1213 CZ ARG A 75 -25.482 2.738 6.821 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.118 3.785 6.093 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -26.769 2.496 7.028 1.00 0.00 N ATOM 0 H ARG A 75 -19.170 4.063 6.249 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.935 4.354 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.621 2.780 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.682 4.123 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.571 2.923 9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.258 4.107 7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.916 2.356 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.600 1.202 7.395 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.875 1.136 7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.129 3.974 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.827 4.401 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -27.053 1.691 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.475 3.115 6.629 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.459 6.834 7.215 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.635 8.198 7.698 1.00 0.00 C ATOM 1231 C GLU A 76 -20.996 9.139 6.552 1.00 0.00 C ATOM 1232 O GLU A 76 -21.982 9.874 6.624 1.00 0.00 O ATOM 1233 CB GLU A 76 -19.361 8.686 8.391 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.440 10.127 8.868 1.00 0.00 C ATOM 1235 CD GLU A 76 -18.167 10.586 9.551 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -17.135 9.898 9.407 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -18.203 11.633 10.232 1.00 0.00 O ATOM 0 H GLU A 76 -19.486 6.543 7.117 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.454 8.198 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.152 8.041 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.522 8.586 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.646 10.777 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.277 10.232 9.559 1.00 0.00 H new ATOM 1244 N LEU A 77 -20.189 9.113 5.497 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.423 9.963 4.335 1.00 0.00 C ATOM 1246 C LEU A 77 -21.710 9.568 3.620 1.00 0.00 C ATOM 1247 O LEU A 77 -22.389 10.408 3.030 1.00 0.00 O ATOM 1248 CB LEU A 77 -19.241 9.873 3.368 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.873 8.469 2.887 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.612 8.132 1.603 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.368 8.352 2.685 1.00 0.00 C ATOM 0 H LEU A 77 -19.368 8.513 5.422 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.524 10.991 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.463 10.488 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.368 10.310 3.852 1.00 0.00 H new ATOM 0 HG LEU A 77 -19.174 7.754 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.336 7.129 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.687 8.174 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.344 8.851 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.124 7.346 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.043 9.078 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.858 8.548 3.628 1.00 0.00 H new ATOM 1263 N LYS A 78 -22.044 8.282 3.680 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.253 7.775 3.042 1.00 0.00 C ATOM 1265 C LYS A 78 -24.501 8.327 3.723 1.00 0.00 C ATOM 1266 O LYS A 78 -25.608 8.214 3.198 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.271 6.245 3.081 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.508 5.598 1.939 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.166 5.881 0.599 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.171 6.447 -0.403 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.850 7.181 -1.505 1.00 0.00 N ATOM 0 H LYS A 78 -21.494 7.573 4.164 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.252 8.106 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.846 5.909 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.305 5.902 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.483 5.969 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.455 4.521 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.599 4.962 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.986 6.586 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -21.482 7.118 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.575 5.636 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.138 7.551 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.489 6.535 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.399 7.971 -1.109 1.00 0.00 H new ATOM 1285 N ARG A 79 -24.314 8.924 4.897 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.425 9.494 5.649 1.00 0.00 C ATOM 1287 C ARG A 79 -26.262 10.418 4.769 1.00 0.00 C ATOM 1288 O ARG A 79 -27.462 10.206 4.591 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.904 10.263 6.865 1.00 0.00 C ATOM 1290 CG ARG A 79 -24.474 9.367 8.014 1.00 0.00 C ATOM 1291 CD ARG A 79 -23.924 10.178 9.177 1.00 0.00 C ATOM 1292 NE ARG A 79 -24.908 11.122 9.701 1.00 0.00 N ATOM 1293 CZ ARG A 79 -24.703 11.877 10.774 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -23.557 11.800 11.434 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -25.648 12.713 11.189 1.00 0.00 N ATOM 0 H ARG A 79 -23.404 9.025 5.347 1.00 0.00 H new ATOM 0 HA ARG A 79 -26.058 8.675 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -24.058 10.879 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -25.682 10.941 7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.324 8.774 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -23.715 8.667 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -23.610 9.503 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -23.037 10.722 8.852 1.00 0.00 H new ATOM 0 HE ARG A 79 -25.801 11.206 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -22.829 11.159 11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -23.403 12.381 12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -26.532 12.775 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -25.490 13.293 12.013 1.00 0.00 H new ATOM 1309 N THR A 80 -25.620 11.444 4.220 1.00 0.00 N ATOM 1310 CA THR A 80 -26.304 12.402 3.361 1.00 0.00 C ATOM 1311 C THR A 80 -25.312 13.178 2.503 1.00 0.00 C ATOM 1312 O THR A 80 -24.303 13.676 3.002 1.00 0.00 O ATOM 1313 CB THR A 80 -27.142 13.398 4.184 1.00 0.00 C ATOM 1314 OG1 THR A 80 -26.528 13.617 5.459 1.00 0.00 O ATOM 1315 CG2 THR A 80 -28.559 12.882 4.380 1.00 0.00 C ATOM 0 H THR A 80 -24.627 11.633 4.355 1.00 0.00 H new ATOM 0 HA THR A 80 -26.968 11.828 2.715 1.00 0.00 H new ATOM 0 HB THR A 80 -27.188 14.339 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 80 -27.066 14.253 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 80 -29.131 13.603 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 80 -29.034 12.744 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 80 -28.529 11.929 4.908 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.604 13.278 1.211 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.738 13.996 0.283 1.00 0.00 C ATOM 1325 C ASP A 81 -25.317 13.976 -1.127 1.00 0.00 C ATOM 1326 O ASP A 81 -25.685 12.921 -1.644 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.337 13.382 0.281 1.00 0.00 C ATOM 1328 CG ASP A 81 -22.323 14.250 1.001 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -21.972 15.322 0.463 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -21.881 13.858 2.101 1.00 0.00 O ATOM 0 H ASP A 81 -26.435 12.870 0.782 1.00 0.00 H new ATOM 0 HA ASP A 81 -24.672 15.032 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.373 12.401 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -23.013 13.227 -0.748 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.395 15.150 -1.746 1.00 0.00 N ATOM 1336 CA LEU A 82 -25.931 15.268 -3.098 1.00 0.00 C ATOM 1337 C LEU A 82 -25.291 16.438 -3.836 1.00 0.00 C ATOM 1338 O LEU A 82 -25.510 17.598 -3.490 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.450 15.448 -3.051 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.199 15.173 -4.355 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -29.662 14.866 -4.077 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -28.071 16.356 -5.304 1.00 0.00 C ATOM 0 H LEU A 82 -25.094 16.033 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 82 -25.697 14.350 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.850 14.790 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.665 16.470 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 82 -27.751 14.301 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -30.178 14.673 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -29.734 13.987 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.124 15.718 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -28.610 16.142 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -28.492 17.246 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -27.019 16.529 -5.530 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.500 16.126 -4.858 1.00 0.00 N ATOM 1355 CA ASN A 83 -23.829 17.151 -5.647 1.00 0.00 C ATOM 1356 C ASN A 83 -22.990 16.523 -6.756 1.00 0.00 C ATOM 1357 O ASN A 83 -22.639 15.345 -6.689 1.00 0.00 O ATOM 1358 CB ASN A 83 -22.942 18.017 -4.749 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.469 19.432 -4.606 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -23.827 19.865 -3.512 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.518 20.158 -5.717 1.00 0.00 N ATOM 0 H ASN A 83 -24.308 15.170 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.593 17.779 -6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -22.870 17.558 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -21.933 18.048 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.863 21.117 -5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.210 19.756 -6.603 1.00 0.00 H new ATOM 1368 N ILE A 84 -22.673 17.317 -7.773 1.00 0.00 N ATOM 1369 CA ILE A 84 -21.875 16.839 -8.894 1.00 0.00 C ATOM 1370 C ILE A 84 -20.487 16.403 -8.436 1.00 0.00 C ATOM 1371 O ILE A 84 -20.080 15.261 -8.651 1.00 0.00 O ATOM 1372 CB ILE A 84 -21.728 17.920 -9.982 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.104 18.426 -10.419 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -20.957 17.370 -11.173 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -23.042 19.533 -11.446 1.00 0.00 C ATOM 0 H ILE A 84 -22.957 18.294 -7.843 1.00 0.00 H new ATOM 0 HA ILE A 84 -22.402 15.982 -9.313 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.169 18.759 -9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.675 17.593 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -23.646 18.784 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -20.861 18.145 -11.934 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.965 17.054 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -21.492 16.517 -11.590 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -24.054 19.842 -11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -22.499 20.383 -11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.529 19.173 -12.338 1.00 0.00 H new ATOM 1387 N LEU A 85 -19.766 17.319 -7.799 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.423 17.030 -7.307 1.00 0.00 C ATOM 1389 C LEU A 85 -18.456 15.924 -6.258 1.00 0.00 C ATOM 1390 O LEU A 85 -17.656 14.989 -6.303 1.00 0.00 O ATOM 1391 CB LEU A 85 -17.793 18.292 -6.715 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.384 18.629 -7.202 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -15.392 17.572 -6.743 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.361 18.762 -8.718 1.00 0.00 C ATOM 0 H LEU A 85 -20.089 18.268 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.819 16.691 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.444 19.137 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -17.766 18.186 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.090 19.585 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.395 17.830 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.387 17.526 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.682 16.602 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.350 19.002 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.676 17.822 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.041 19.558 -9.024 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.386 16.036 -5.315 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.523 15.042 -4.256 1.00 0.00 C ATOM 1408 C GLU A 86 -19.814 13.662 -4.838 1.00 0.00 C ATOM 1409 O GLU A 86 -19.263 12.658 -4.386 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.639 15.446 -3.289 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.479 16.848 -2.726 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.519 17.176 -1.673 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.615 16.578 -1.714 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.237 18.031 -0.807 1.00 0.00 O ATOM 0 H GLU A 86 -20.055 16.804 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.579 14.995 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.597 15.378 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.669 14.734 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.484 16.950 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.549 17.572 -3.538 1.00 0.00 H new ATOM 1421 N ARG A 87 -20.683 13.621 -5.841 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.049 12.364 -6.484 1.00 0.00 C ATOM 1423 C ARG A 87 -19.842 11.733 -7.171 1.00 0.00 C ATOM 1424 O ARG A 87 -19.603 10.532 -7.051 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.167 12.594 -7.502 1.00 0.00 C ATOM 1426 CG ARG A 87 -22.701 11.312 -8.121 1.00 0.00 C ATOM 1427 CD ARG A 87 -23.536 10.520 -7.128 1.00 0.00 C ATOM 1428 NE ARG A 87 -23.574 9.098 -7.457 1.00 0.00 N ATOM 1429 CZ ARG A 87 -23.924 8.152 -6.592 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -24.264 8.476 -5.352 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -23.936 6.879 -6.966 1.00 0.00 N ATOM 0 H ARG A 87 -21.147 14.443 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.404 11.680 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -22.987 13.121 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.797 13.244 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.305 11.553 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -21.868 10.700 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.127 10.649 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.552 10.916 -7.111 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.318 8.815 -8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.257 9.453 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.532 7.748 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -23.676 6.625 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.205 6.154 -6.300 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.084 12.553 -7.894 1.00 0.00 N ATOM 1446 CA PHE A 88 -17.903 12.075 -8.603 1.00 0.00 C ATOM 1447 C PHE A 88 -16.891 11.476 -7.630 1.00 0.00 C ATOM 1448 O PHE A 88 -16.481 10.325 -7.777 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.257 13.218 -9.388 1.00 0.00 C ATOM 1450 CG PHE A 88 -15.933 12.853 -9.998 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -15.793 11.689 -10.737 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -14.829 13.674 -9.833 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -14.576 11.350 -11.298 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -13.610 13.341 -10.391 1.00 0.00 C ATOM 1455 CZ PHE A 88 -13.484 12.178 -11.127 1.00 0.00 C ATOM 0 H PHE A 88 -19.267 13.550 -8.004 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.217 11.297 -9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -17.937 13.535 -10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.119 14.072 -8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.644 11.039 -10.876 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.923 14.585 -9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.479 10.439 -11.869 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.757 13.988 -10.252 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.533 11.917 -11.568 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.494 12.265 -6.637 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.530 11.813 -5.641 1.00 0.00 C ATOM 1467 C ASN A 89 -16.038 10.571 -4.915 1.00 0.00 C ATOM 1468 O ASN A 89 -15.289 9.621 -4.690 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.247 12.927 -4.632 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.963 14.258 -5.303 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.487 15.295 -4.898 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.130 14.232 -6.338 1.00 0.00 N ATOM 0 H ASN A 89 -16.825 13.220 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.605 11.557 -6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.102 13.035 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.394 12.646 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.902 15.095 -6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -13.718 13.349 -6.639 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.315 10.587 -4.552 1.00 0.00 N ATOM 1480 CA TYR A 90 -17.925 9.464 -3.849 1.00 0.00 C ATOM 1481 C TYR A 90 -17.915 8.209 -4.717 1.00 0.00 C ATOM 1482 O TYR A 90 -17.570 7.123 -4.254 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.359 9.806 -3.444 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.457 10.531 -2.121 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.571 11.552 -1.798 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.435 10.196 -1.193 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.656 12.216 -0.590 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.529 10.857 0.017 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.637 11.866 0.314 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.726 12.525 1.518 1.00 0.00 O ATOM 0 H TYR A 90 -17.949 11.365 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.339 9.268 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.810 10.423 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -19.941 8.886 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.803 11.831 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.134 9.405 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.958 13.005 -0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.297 10.585 0.726 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.665 12.578 1.793 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.298 8.369 -5.981 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.334 7.249 -6.915 1.00 0.00 C ATOM 1502 C GLU A 91 -16.965 6.584 -7.020 1.00 0.00 C ATOM 1503 O GLU A 91 -16.835 5.376 -6.827 1.00 0.00 O ATOM 1504 CB GLU A 91 -18.789 7.724 -8.296 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.341 6.611 -9.170 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.809 6.334 -8.906 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.271 6.614 -7.780 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.494 5.838 -9.823 1.00 0.00 O ATOM 0 H GLU A 91 -18.587 9.262 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.047 6.516 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.553 8.491 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.947 8.191 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.209 6.878 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.767 5.701 -8.998 1.00 0.00 H new ATOM 1515 N GLU A 92 -15.947 7.382 -7.326 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.588 6.869 -7.457 1.00 0.00 C ATOM 1517 C GLU A 92 -14.096 6.286 -6.136 1.00 0.00 C ATOM 1518 O GLU A 92 -13.392 5.277 -6.114 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.643 7.981 -7.920 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.276 7.477 -8.352 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.569 8.438 -9.287 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.201 8.885 -10.267 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.384 8.743 -9.039 1.00 0.00 O ATOM 0 H GLU A 92 -16.037 8.385 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.597 6.074 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.103 8.515 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.517 8.700 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.658 7.314 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.388 6.512 -8.846 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.473 6.929 -5.035 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.072 6.474 -3.710 1.00 0.00 C ATOM 1532 C ALA A 93 -14.524 5.039 -3.462 1.00 0.00 C ATOM 1533 O ALA A 93 -13.716 4.175 -3.120 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.636 7.399 -2.642 1.00 0.00 C ATOM 0 H ALA A 93 -15.055 7.766 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.983 6.498 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.329 7.047 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.260 8.410 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.724 7.404 -2.702 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.818 4.793 -3.636 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.377 3.462 -3.429 1.00 0.00 C ATOM 1542 C GLN A 94 -15.832 2.477 -4.459 1.00 0.00 C ATOM 1543 O GLN A 94 -15.642 1.297 -4.165 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.904 3.509 -3.508 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.429 3.993 -4.850 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.938 3.890 -4.958 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.668 4.362 -4.086 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.413 3.268 -6.031 1.00 0.00 N ATOM 0 H GLN A 94 -16.499 5.497 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.082 3.122 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.301 2.513 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.280 4.164 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.128 5.030 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.971 3.408 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.771 2.892 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.420 3.166 -6.157 1.00 0.00 H new ATOM 1557 N THR A 95 -15.583 2.971 -5.668 1.00 0.00 N ATOM 1558 CA THR A 95 -15.062 2.134 -6.743 1.00 0.00 C ATOM 1559 C THR A 95 -13.699 1.559 -6.378 1.00 0.00 C ATOM 1560 O THR A 95 -13.483 0.349 -6.458 1.00 0.00 O ATOM 1561 CB THR A 95 -14.939 2.923 -8.059 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.223 3.420 -8.455 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.366 2.048 -9.163 1.00 0.00 C ATOM 0 H THR A 95 -15.734 3.946 -5.927 1.00 0.00 H new ATOM 0 HA THR A 95 -15.772 1.319 -6.883 1.00 0.00 H new ATOM 0 HB THR A 95 -14.262 3.761 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.429 4.234 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.288 2.627 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.377 1.696 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.022 1.193 -9.327 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.781 2.431 -5.978 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.436 2.009 -5.601 1.00 0.00 C ATOM 1573 C LEU A 96 -11.467 1.161 -4.334 1.00 0.00 C ATOM 1574 O LEU A 96 -10.776 0.147 -4.237 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.538 3.229 -5.389 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.290 4.102 -6.620 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.470 5.328 -6.250 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.593 3.302 -7.710 1.00 0.00 C ATOM 0 H LEU A 96 -12.943 3.435 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.031 1.404 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.981 3.851 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.575 2.885 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.254 4.437 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.304 5.937 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.008 5.914 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.510 5.014 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.425 3.939 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.636 2.936 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.218 2.456 -7.997 1.00 0.00 H new ATOM 1590 N SER A 97 -12.275 1.582 -3.366 1.00 0.00 N ATOM 1591 CA SER A 97 -12.396 0.861 -2.104 1.00 0.00 C ATOM 1592 C SER A 97 -12.869 -0.570 -2.338 1.00 0.00 C ATOM 1593 O SER A 97 -12.346 -1.515 -1.746 1.00 0.00 O ATOM 1594 CB SER A 97 -13.367 1.585 -1.170 1.00 0.00 C ATOM 1595 OG SER A 97 -14.705 1.448 -1.620 1.00 0.00 O ATOM 0 H SER A 97 -12.855 2.418 -3.431 1.00 0.00 H new ATOM 0 HA SER A 97 -11.411 0.827 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.276 1.181 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.105 2.642 -1.115 1.00 0.00 H new ATOM 0 HG SER A 97 -14.725 1.472 -2.600 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.863 -0.723 -3.207 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.408 -2.038 -3.523 1.00 0.00 C ATOM 1603 C LYS A 98 -13.364 -2.907 -4.220 1.00 0.00 C ATOM 1604 O LYS A 98 -13.129 -4.049 -3.822 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.646 -1.900 -4.412 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.917 -1.596 -3.639 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.123 -1.515 -4.560 1.00 0.00 C ATOM 1608 CE LYS A 98 -19.406 -1.272 -3.778 1.00 0.00 C ATOM 1609 NZ LYS A 98 -20.482 -0.709 -4.640 1.00 0.00 N ATOM 0 H LYS A 98 -14.308 0.048 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.691 -2.520 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.474 -1.107 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.784 -2.824 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.082 -2.370 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.802 -0.653 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.978 -0.711 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.211 -2.441 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.746 -2.209 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.205 -0.587 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -21.339 -0.558 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.167 0.198 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.692 -1.374 -5.412 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.741 -2.358 -5.257 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.722 -3.083 -6.006 1.00 0.00 C ATOM 1625 C ILE A 99 -10.592 -3.543 -5.091 1.00 0.00 C ATOM 1626 O ILE A 99 -10.205 -4.712 -5.105 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.133 -2.218 -7.137 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.234 -1.795 -8.110 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.035 -2.977 -7.866 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.930 -0.507 -8.844 1.00 0.00 C ATOM 0 H ILE A 99 -12.924 -1.414 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.210 -3.954 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.697 -1.320 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.389 -2.591 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.168 -1.679 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.628 -2.353 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.241 -3.232 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.447 -3.890 -8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.754 -0.268 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.804 0.301 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.013 -0.625 -9.421 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.067 -2.616 -4.296 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.981 -2.927 -3.373 1.00 0.00 C ATOM 1644 C LEU A 100 -9.399 -4.011 -2.386 1.00 0.00 C ATOM 1645 O LEU A 100 -8.646 -4.950 -2.122 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.556 -1.668 -2.615 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.377 -1.831 -1.654 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.845 -2.409 -0.328 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.302 -2.713 -2.273 1.00 0.00 C ATOM 0 H LEU A 100 -10.376 -1.644 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.137 -3.297 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.302 -0.898 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.413 -1.302 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.948 -0.847 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.993 -2.518 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.578 -1.740 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.301 -3.385 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.471 -2.818 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.719 -3.696 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.945 -2.257 -3.197 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.605 -3.878 -1.845 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.126 -4.849 -0.888 1.00 0.00 C ATOM 1663 C LEU A 101 -11.117 -6.255 -1.480 1.00 0.00 C ATOM 1664 O LEU A 101 -10.672 -7.208 -0.839 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.546 -4.468 -0.467 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.674 -3.697 0.847 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.116 -3.277 1.082 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.163 -4.536 2.009 1.00 0.00 C ATOM 0 H LEU A 101 -11.241 -3.108 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.480 -4.841 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.990 -3.868 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.137 -5.380 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.063 -2.797 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.187 -2.730 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.447 -2.637 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.750 -4.163 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.262 -3.972 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.746 -5.454 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.114 -4.784 1.845 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.611 -6.378 -2.707 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.658 -7.666 -3.388 1.00 0.00 C ATOM 1682 C LYS A 102 -10.256 -8.242 -3.561 1.00 0.00 C ATOM 1683 O LYS A 102 -9.986 -9.373 -3.157 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.332 -7.519 -4.754 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.406 -8.818 -5.539 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.799 -8.573 -6.986 1.00 0.00 C ATOM 1687 CE LYS A 102 -11.630 -8.044 -7.801 1.00 0.00 C ATOM 1688 NZ LYS A 102 -10.558 -9.066 -7.961 1.00 0.00 N ATOM 0 H LYS A 102 -11.985 -5.600 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.240 -8.353 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.341 -7.132 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.787 -6.780 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.440 -9.321 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.130 -9.486 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.161 -9.502 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.622 -7.860 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.984 -7.732 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.219 -7.159 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.673 -8.708 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.838 -9.942 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.414 -9.263 -8.972 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.369 -7.457 -4.161 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.993 -7.887 -4.384 1.00 0.00 C ATOM 1704 C ASP A 103 -7.346 -8.336 -3.077 1.00 0.00 C ATOM 1705 O ASP A 103 -6.690 -9.376 -3.022 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.178 -6.757 -5.011 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.326 -6.701 -6.519 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.770 -7.710 -7.109 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.001 -5.650 -7.109 1.00 0.00 O ATOM 0 H ASP A 103 -9.578 -6.519 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.009 -8.734 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.493 -5.805 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.126 -6.888 -4.757 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.533 -7.543 -2.028 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.966 -7.857 -0.722 1.00 0.00 C ATOM 1716 C LEU A 104 -7.457 -9.215 -0.226 1.00 0.00 C ATOM 1717 O LEU A 104 -6.662 -10.068 0.167 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.333 -6.770 0.291 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.307 -6.504 1.392 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -6.578 -5.166 2.063 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.320 -7.629 2.416 1.00 0.00 C ATOM 0 H LEU A 104 -8.073 -6.678 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.882 -7.898 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.504 -5.840 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.278 -7.044 0.761 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.317 -6.465 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.837 -4.994 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.516 -4.369 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.575 -5.175 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.583 -7.423 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.310 -7.701 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.076 -8.571 1.925 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.770 -9.408 -0.252 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.368 -10.662 0.190 1.00 0.00 C ATOM 1735 C LYS A 105 -8.740 -11.849 -0.533 1.00 0.00 C ATOM 1736 O LYS A 105 -8.319 -12.819 0.097 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.879 -10.645 -0.054 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.644 -9.777 0.929 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.987 -9.344 0.364 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.983 -10.494 0.355 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.745 -10.578 1.632 1.00 0.00 N ATOM 0 H LYS A 105 -9.442 -8.712 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.180 -10.768 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.071 -10.289 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.259 -11.665 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.799 -10.327 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.051 -8.896 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.385 -8.521 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.853 -8.969 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.678 -10.366 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.454 -11.432 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.413 -11.374 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.084 -10.726 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.271 -9.693 1.781 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.677 -11.764 -1.858 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.098 -12.831 -2.665 1.00 0.00 C ATOM 1757 C GLU A 106 -6.671 -13.137 -2.221 1.00 0.00 C ATOM 1758 O GLU A 106 -6.303 -14.296 -2.025 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.112 -12.446 -4.146 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.514 -13.506 -5.056 1.00 0.00 C ATOM 1761 CD GLU A 106 -7.966 -13.359 -6.497 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -8.123 -12.208 -6.956 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.160 -14.396 -7.166 1.00 0.00 O ATOM 0 H GLU A 106 -9.020 -10.967 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.703 -13.727 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.140 -12.254 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.561 -11.515 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.427 -13.446 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.794 -14.494 -4.690 1.00 0.00 H new ATOM 1770 N THR A 107 -5.869 -12.088 -2.064 1.00 0.00 N ATOM 1771 CA THR A 107 -4.482 -12.242 -1.645 1.00 0.00 C ATOM 1772 C THR A 107 -4.385 -13.034 -0.346 1.00 0.00 C ATOM 1773 O THR A 107 -3.661 -14.026 -0.267 1.00 0.00 O ATOM 1774 CB THR A 107 -3.798 -10.875 -1.451 1.00 0.00 C ATOM 1775 OG1 THR A 107 -3.894 -10.105 -2.654 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.336 -11.051 -1.071 1.00 0.00 C ATOM 0 H THR A 107 -6.157 -11.122 -2.221 1.00 0.00 H new ATOM 0 HA THR A 107 -3.971 -12.786 -2.439 1.00 0.00 H new ATOM 0 HB THR A 107 -4.306 -10.350 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.819 -9.806 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.874 -10.073 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.267 -11.613 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.817 -11.594 -1.861 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.120 -12.590 0.669 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.115 -13.260 1.965 1.00 0.00 C ATOM 1786 C GLU A 108 -5.452 -14.740 1.813 1.00 0.00 C ATOM 1787 O GLU A 108 -4.713 -15.605 2.281 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.115 -12.592 2.912 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.818 -12.840 4.381 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.366 -14.167 4.871 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.574 -14.417 4.678 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -5.588 -14.953 5.448 1.00 0.00 O ATOM 0 H GLU A 108 -5.726 -11.771 0.619 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.113 -13.175 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.117 -11.518 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.117 -12.957 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.740 -12.816 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.246 -12.033 4.976 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.573 -15.022 1.158 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.009 -16.397 0.946 1.00 0.00 C ATOM 1801 C GLN A 109 -5.874 -17.247 0.383 1.00 0.00 C ATOM 1802 O GLN A 109 -5.595 -18.338 0.883 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.208 -16.434 -0.004 1.00 0.00 C ATOM 1804 CG GLN A 109 -8.806 -17.821 -0.176 1.00 0.00 C ATOM 1805 CD GLN A 109 -9.997 -17.832 -1.113 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.073 -17.033 -2.047 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.935 -18.739 -0.868 1.00 0.00 N ATOM 0 H GLN A 109 -7.196 -14.317 0.765 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.305 -16.810 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.978 -15.759 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.900 -16.057 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.041 -18.497 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.111 -18.204 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.831 -19.381 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.760 -18.793 -1.465 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.222 -16.742 -0.658 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.116 -17.453 -1.287 1.00 0.00 C ATOM 1818 C LYS A 110 -3.000 -17.722 -0.283 1.00 0.00 C ATOM 1819 O LYS A 110 -2.477 -18.834 -0.205 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.571 -16.647 -2.468 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.591 -16.413 -3.569 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.666 -17.596 -4.520 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.713 -18.604 -4.075 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.269 -19.372 -5.225 1.00 0.00 N ATOM 0 H LYS A 110 -5.441 -15.842 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.492 -18.410 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.214 -15.683 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.711 -17.169 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.572 -16.238 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.327 -15.514 -4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.903 -17.243 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.692 -18.082 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.270 -19.295 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.521 -18.085 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.979 -20.049 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.714 -18.716 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.502 -19.888 -5.701 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.641 -16.698 0.484 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.589 -16.826 1.486 1.00 0.00 C ATOM 1840 C VAL A 111 -1.940 -17.889 2.520 1.00 0.00 C ATOM 1841 O VAL A 111 -1.197 -18.850 2.717 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.336 -15.488 2.207 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.292 -15.661 3.299 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.907 -14.421 1.212 1.00 0.00 C ATOM 0 H VAL A 111 -3.063 -15.771 0.431 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.683 -17.123 0.958 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.266 -15.164 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.126 -14.706 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.643 -16.394 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.642 -16.007 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.732 -13.482 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.011 -14.735 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.692 -14.280 0.469 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.081 -17.711 3.180 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.534 -18.656 4.193 1.00 0.00 C ATOM 1856 C LYS A 112 -3.785 -20.031 3.582 1.00 0.00 C ATOM 1857 O LYS A 112 -3.784 -21.042 4.285 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.810 -18.143 4.864 1.00 0.00 C ATOM 1859 CG LYS A 112 -6.085 -18.609 4.181 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.185 -17.566 4.284 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.870 -17.610 5.641 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.000 -17.064 6.719 1.00 0.00 N ATOM 0 H LYS A 112 -3.708 -16.921 3.031 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.749 -18.750 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.822 -18.473 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.791 -17.053 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.880 -18.821 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.422 -19.541 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.764 -16.574 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.921 -17.734 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.797 -17.039 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.140 -18.639 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.591 -16.625 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.442 -17.835 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.358 -16.350 6.319 1.00 0.00 H new ATOM 1876 N ASP A 113 -3.998 -20.061 2.271 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.247 -21.313 1.565 1.00 0.00 C ATOM 1878 C ASP A 113 -2.966 -22.131 1.442 1.00 0.00 C ATOM 1879 O ASP A 113 -2.933 -23.309 1.802 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.825 -21.033 0.177 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.018 -22.299 -0.635 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.849 -23.141 -0.233 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.339 -22.447 -1.672 1.00 0.00 O ATOM 0 H ASP A 113 -4.003 -19.233 1.676 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.970 -21.890 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.782 -20.522 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.160 -20.357 -0.361 1.00 0.00 H new ATOM 1888 N ILE A 114 -1.914 -21.501 0.930 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.632 -22.171 0.760 1.00 0.00 C ATOM 1890 C ILE A 114 -0.122 -22.731 2.084 1.00 0.00 C ATOM 1891 O ILE A 114 -0.075 -22.023 3.089 1.00 0.00 O ATOM 1892 CB ILE A 114 0.428 -21.219 0.175 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.359 -21.220 -1.353 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.818 -21.619 0.648 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.830 -20.463 -1.904 1.00 0.00 C ATOM 0 H ILE A 114 -1.925 -20.527 0.626 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.796 -22.992 0.062 1.00 0.00 H new ATOM 0 HB ILE A 114 0.222 -20.209 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.275 -20.782 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.319 -22.250 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.556 -20.937 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.860 -21.571 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.035 -22.636 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.815 -20.505 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.751 -20.914 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.781 -19.423 -1.581 1.00 0.00 H new ATOM 1907 N GLN A 115 0.258 -24.004 2.075 1.00 0.00 N ATOM 1908 CA GLN A 115 0.766 -24.657 3.276 1.00 0.00 C ATOM 1909 C GLN A 115 2.279 -24.501 3.384 1.00 0.00 C ATOM 1910 O GLN A 115 2.996 -24.595 2.387 1.00 0.00 O ATOM 1911 CB GLN A 115 0.394 -26.140 3.271 1.00 0.00 C ATOM 1912 CG GLN A 115 0.804 -26.866 2.000 1.00 0.00 C ATOM 1913 CD GLN A 115 1.421 -28.223 2.275 1.00 0.00 C ATOM 1914 OE1 GLN A 115 0.856 -29.259 1.923 1.00 0.00 O ATOM 1915 NE2 GLN A 115 2.590 -28.225 2.908 1.00 0.00 N ATOM 0 H GLN A 115 0.224 -24.604 1.251 1.00 0.00 H new ATOM 0 HA GLN A 115 0.308 -24.177 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.864 -26.627 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.684 -26.236 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.069 -26.991 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.517 -26.252 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.023 -27.343 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.054 -29.108 3.120 1.00 0.00 H new ATOM 1924 N THR A 116 2.760 -24.260 4.599 1.00 0.00 N ATOM 1925 CA THR A 116 4.187 -24.088 4.837 1.00 0.00 C ATOM 1926 C THR A 116 4.594 -24.671 6.184 1.00 0.00 C ATOM 1927 O THR A 116 3.771 -25.242 6.898 1.00 0.00 O ATOM 1928 CB THR A 116 4.589 -22.601 4.790 1.00 0.00 C ATOM 1929 OG1 THR A 116 4.092 -21.923 5.949 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.051 -21.933 3.535 1.00 0.00 C ATOM 0 H THR A 116 2.181 -24.179 5.435 1.00 0.00 H new ATOM 0 HA THR A 116 4.707 -24.622 4.042 1.00 0.00 H new ATOM 0 HB THR A 116 5.677 -22.542 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.144 -21.709 5.822 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.348 -20.884 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.455 -22.433 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.963 -22.002 3.524 1.00 0.00 H new ATOM 1938 N GLN A 117 5.870 -24.523 6.528 1.00 0.00 N ATOM 1939 CA GLN A 117 6.386 -25.036 7.791 1.00 0.00 C ATOM 1940 C GLN A 117 6.751 -23.894 8.734 1.00 0.00 C ATOM 1941 O GLN A 117 6.860 -24.086 9.945 1.00 0.00 O ATOM 1942 CB GLN A 117 7.608 -25.921 7.546 1.00 0.00 C ATOM 1943 CG GLN A 117 7.281 -27.228 6.841 1.00 0.00 C ATOM 1944 CD GLN A 117 6.993 -28.357 7.811 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.895 -29.096 8.209 1.00 0.00 O ATOM 1946 NE2 GLN A 117 5.730 -28.498 8.198 1.00 0.00 N ATOM 0 H GLN A 117 6.565 -24.052 5.949 1.00 0.00 H new ATOM 0 HA GLN A 117 5.603 -25.633 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.333 -25.368 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.084 -26.142 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.417 -27.081 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.116 -27.509 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.014 -27.864 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.476 -29.241 8.849 1.00 0.00 H new TER 1955 GLN A 117