USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 58 GLN : amide:sc= -0.0928 K(o=-0.18,f=-1.3) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00742 X(o=-0.0074,f=0.3) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.611 USER MOD Single : A 29 HIS : no HE2:sc= -7.23! C(o=-7.2!,f=-7.8!) USER MOD Single : A 35 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-8.3!) USER MOD Single : A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.88 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 109:sc= -0.384 USER MOD Single : A 50 SER OG : rot 35:sc= 1.02 USER MOD Single : A 52 SER OG : rot 180:sc= 0.081 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.04) USER MOD Single : A 68 LYS NZ :NH3+ -125:sc= -3.59! (180deg=-7.12!) USER MOD Single : A 69 ASN : amide:sc= -0.906 K(o=-0.91,f=-0.19) USER MOD Single : A 73 ASN : amide:sc= -7.67! C(o=-7.7!,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 72:sc= 1.44 USER MOD Single : A 76 TYR OH : rot 180:sc=5.93e-05 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.36) USER MOD Single : A 92 SER OG : rot 150:sc= 0.823 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -163:sc= -0.819 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.815 6.536 -19.934 1.00 0.00 N ATOM 2 CA GLY A 1 6.665 5.878 -18.649 1.00 0.00 C ATOM 3 C GLY A 1 7.887 5.067 -18.266 1.00 0.00 C ATOM 4 O GLY A 1 7.798 3.857 -18.059 1.00 0.00 O ATOM 0 H1 GLY A 1 5.953 7.077 -20.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.630 7.181 -19.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.970 5.822 -20.674 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.475 6.627 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.794 5.224 -18.679 1.00 0.00 H new ATOM 8 N SER A 2 9.033 5.735 -18.173 1.00 0.00 N ATOM 9 CA SER A 2 10.280 5.067 -17.819 1.00 0.00 C ATOM 10 C SER A 2 10.691 5.407 -16.389 1.00 0.00 C ATOM 11 O SER A 2 10.781 4.528 -15.532 1.00 0.00 O ATOM 12 CB SER A 2 11.392 5.468 -18.790 1.00 0.00 C ATOM 13 OG SER A 2 12.529 4.637 -18.634 1.00 0.00 O ATOM 0 H SER A 2 9.123 6.738 -18.338 1.00 0.00 H new ATOM 0 HA SER A 2 10.119 3.991 -17.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.026 5.401 -19.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.671 6.508 -18.619 1.00 0.00 H new ATOM 0 HG SER A 2 13.225 4.912 -19.267 1.00 0.00 H new ATOM 19 N SER A 3 10.938 6.689 -16.140 1.00 0.00 N ATOM 20 CA SER A 3 11.343 7.146 -14.816 1.00 0.00 C ATOM 21 C SER A 3 10.130 7.576 -13.995 1.00 0.00 C ATOM 22 O SER A 3 9.319 8.385 -14.443 1.00 0.00 O ATOM 23 CB SER A 3 12.331 8.308 -14.934 1.00 0.00 C ATOM 24 OG SER A 3 13.204 8.351 -13.819 1.00 0.00 O ATOM 0 H SER A 3 10.865 7.429 -16.838 1.00 0.00 H new ATOM 0 HA SER A 3 11.830 6.315 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.912 8.204 -15.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.784 9.248 -15.008 1.00 0.00 H new ATOM 0 HG SER A 3 13.826 9.101 -13.920 1.00 0.00 H new ATOM 30 N GLY A 4 10.014 7.027 -12.790 1.00 0.00 N ATOM 31 CA GLY A 4 8.899 7.365 -11.925 1.00 0.00 C ATOM 32 C GLY A 4 9.328 8.168 -10.713 1.00 0.00 C ATOM 33 O GLY A 4 9.161 7.726 -9.577 1.00 0.00 O ATOM 0 H GLY A 4 10.672 6.354 -12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.163 7.934 -12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.408 6.449 -11.595 1.00 0.00 H new ATOM 37 N SER A 5 9.882 9.352 -10.955 1.00 0.00 N ATOM 38 CA SER A 5 10.341 10.216 -9.875 1.00 0.00 C ATOM 39 C SER A 5 9.266 10.364 -8.803 1.00 0.00 C ATOM 40 O SER A 5 8.242 11.012 -9.020 1.00 0.00 O ATOM 41 CB SER A 5 10.724 11.593 -10.422 1.00 0.00 C ATOM 42 OG SER A 5 11.017 12.496 -9.370 1.00 0.00 O ATOM 0 H SER A 5 10.024 9.734 -11.890 1.00 0.00 H new ATOM 0 HA SER A 5 11.219 9.755 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.590 11.500 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.908 11.987 -11.027 1.00 0.00 H new ATOM 0 HG SER A 5 11.260 13.368 -9.746 1.00 0.00 H new ATOM 48 N SER A 6 9.506 9.757 -7.645 1.00 0.00 N ATOM 49 CA SER A 6 8.558 9.816 -6.539 1.00 0.00 C ATOM 50 C SER A 6 8.400 11.247 -6.034 1.00 0.00 C ATOM 51 O SER A 6 9.346 12.033 -6.058 1.00 0.00 O ATOM 52 CB SER A 6 9.016 8.908 -5.396 1.00 0.00 C ATOM 53 OG SER A 6 8.766 7.545 -5.696 1.00 0.00 O ATOM 0 H SER A 6 10.350 9.218 -7.449 1.00 0.00 H new ATOM 0 HA SER A 6 7.591 9.469 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.081 9.054 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.496 9.183 -4.478 1.00 0.00 H new ATOM 0 HG SER A 6 9.069 6.985 -4.951 1.00 0.00 H new ATOM 59 N GLY A 7 7.196 11.578 -5.577 1.00 0.00 N ATOM 60 CA GLY A 7 6.935 12.914 -5.073 1.00 0.00 C ATOM 61 C GLY A 7 6.122 12.902 -3.794 1.00 0.00 C ATOM 62 O GLY A 7 5.718 11.850 -3.300 1.00 0.00 O ATOM 0 H GLY A 7 6.397 10.945 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.882 13.423 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.404 13.488 -5.832 1.00 0.00 H new ATOM 66 N PRO A 8 5.872 14.096 -3.236 1.00 0.00 N ATOM 67 CA PRO A 8 5.101 14.246 -1.999 1.00 0.00 C ATOM 68 C PRO A 8 3.624 13.918 -2.193 1.00 0.00 C ATOM 69 O PRO A 8 2.922 13.584 -1.238 1.00 0.00 O ATOM 70 CB PRO A 8 5.279 15.725 -1.647 1.00 0.00 C ATOM 71 CG PRO A 8 5.560 16.393 -2.948 1.00 0.00 C ATOM 72 CD PRO A 8 6.324 15.392 -3.771 1.00 0.00 C ATOM 0 HA PRO A 8 5.443 13.564 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.382 16.131 -1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.099 15.869 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.635 16.683 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.142 17.303 -2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.099 15.489 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.401 15.519 -3.661 1.00 0.00 H new ATOM 80 N ASP A 9 3.160 14.015 -3.434 1.00 0.00 N ATOM 81 CA ASP A 9 1.766 13.727 -3.753 1.00 0.00 C ATOM 82 C ASP A 9 1.309 12.439 -3.077 1.00 0.00 C ATOM 83 O ASP A 9 0.190 12.355 -2.572 1.00 0.00 O ATOM 84 CB ASP A 9 1.580 13.617 -5.267 1.00 0.00 C ATOM 85 CG ASP A 9 2.730 12.892 -5.940 1.00 0.00 C ATOM 86 OD1 ASP A 9 2.969 11.714 -5.601 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.389 13.503 -6.807 1.00 0.00 O ATOM 0 H ASP A 9 3.728 14.291 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 9 1.156 14.549 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.649 13.091 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.485 14.616 -5.692 1.00 0.00 H new ATOM 92 N ALA A 10 2.182 11.437 -3.071 1.00 0.00 N ATOM 93 CA ALA A 10 1.868 10.153 -2.456 1.00 0.00 C ATOM 94 C ALA A 10 2.054 10.209 -0.944 1.00 0.00 C ATOM 95 O ALA A 10 2.730 11.088 -0.409 1.00 0.00 O ATOM 96 CB ALA A 10 2.733 9.055 -3.056 1.00 0.00 C ATOM 0 H ALA A 10 3.113 11.490 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 10 0.821 9.927 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.488 8.102 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.547 8.991 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.784 9.285 -2.883 1.00 0.00 H new ATOM 102 N PRO A 11 1.440 9.250 -0.235 1.00 0.00 N ATOM 103 CA PRO A 11 1.523 9.169 1.226 1.00 0.00 C ATOM 104 C PRO A 11 2.914 8.769 1.706 1.00 0.00 C ATOM 105 O PRO A 11 3.828 8.582 0.903 1.00 0.00 O ATOM 106 CB PRO A 11 0.503 8.083 1.580 1.00 0.00 C ATOM 107 CG PRO A 11 0.408 7.239 0.356 1.00 0.00 C ATOM 108 CD PRO A 11 0.617 8.170 -0.806 1.00 0.00 C ATOM 0 HA PRO A 11 1.324 10.131 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.830 7.498 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.463 8.516 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.162 6.451 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.564 6.749 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.124 7.673 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.329 8.548 -1.193 1.00 0.00 H new ATOM 116 N ARG A 12 3.067 8.639 3.020 1.00 0.00 N ATOM 117 CA ARG A 12 4.347 8.262 3.606 1.00 0.00 C ATOM 118 C ARG A 12 4.145 7.529 4.929 1.00 0.00 C ATOM 119 O ARG A 12 3.034 7.472 5.455 1.00 0.00 O ATOM 120 CB ARG A 12 5.216 9.502 3.826 1.00 0.00 C ATOM 121 CG ARG A 12 5.257 10.437 2.629 1.00 0.00 C ATOM 122 CD ARG A 12 6.054 11.696 2.933 1.00 0.00 C ATOM 123 NE ARG A 12 7.470 11.408 3.151 1.00 0.00 N ATOM 124 CZ ARG A 12 8.331 12.289 3.647 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.923 13.507 3.976 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.603 11.952 3.816 1.00 0.00 N ATOM 0 H ARG A 12 2.320 8.789 3.698 1.00 0.00 H new ATOM 0 HA ARG A 12 4.852 7.590 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.841 10.049 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.232 9.186 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.701 9.921 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.241 10.708 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.950 12.399 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.642 12.181 3.818 1.00 0.00 H new ATOM 0 HE ARG A 12 7.816 10.479 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.946 13.769 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.587 14.182 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.920 11.016 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.264 12.629 4.197 1.00 0.00 H new ATOM 140 N ASN A 13 5.226 6.967 5.460 1.00 0.00 N ATOM 141 CA ASN A 13 5.167 6.236 6.721 1.00 0.00 C ATOM 142 C ASN A 13 4.257 5.017 6.600 1.00 0.00 C ATOM 143 O ASN A 13 3.366 4.810 7.425 1.00 0.00 O ATOM 144 CB ASN A 13 4.667 7.150 7.841 1.00 0.00 C ATOM 145 CG ASN A 13 5.130 6.692 9.211 1.00 0.00 C ATOM 146 OD1 ASN A 13 4.931 5.539 9.593 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.753 7.597 9.958 1.00 0.00 N ATOM 0 H ASN A 13 6.153 7.004 5.037 1.00 0.00 H new ATOM 0 HA ASN A 13 6.174 5.894 6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.020 8.166 7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.578 7.183 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.088 7.347 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.896 8.542 9.601 1.00 0.00 H new ATOM 154 N LEU A 14 4.489 4.213 5.568 1.00 0.00 N ATOM 155 CA LEU A 14 3.692 3.013 5.339 1.00 0.00 C ATOM 156 C LEU A 14 4.057 1.918 6.337 1.00 0.00 C ATOM 157 O LEU A 14 5.125 1.314 6.245 1.00 0.00 O ATOM 158 CB LEU A 14 3.896 2.506 3.911 1.00 0.00 C ATOM 159 CG LEU A 14 2.994 1.352 3.473 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.559 1.829 3.307 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.505 0.737 2.178 1.00 0.00 C ATOM 0 H LEU A 14 5.222 4.370 4.877 1.00 0.00 H new ATOM 0 HA LEU A 14 2.642 3.272 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.744 3.340 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.934 2.190 3.804 1.00 0.00 H new ATOM 0 HG LEU A 14 3.014 0.587 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.932 0.994 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.194 2.222 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.521 2.613 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.851 -0.083 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.515 1.495 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.516 0.358 2.329 1.00 0.00 H new ATOM 173 N GLN A 15 3.161 1.667 7.286 1.00 0.00 N ATOM 174 CA GLN A 15 3.389 0.643 8.299 1.00 0.00 C ATOM 175 C GLN A 15 2.236 -0.353 8.335 1.00 0.00 C ATOM 176 O GLN A 15 1.102 0.004 8.659 1.00 0.00 O ATOM 177 CB GLN A 15 3.565 1.288 9.675 1.00 0.00 C ATOM 178 CG GLN A 15 4.978 1.785 9.938 1.00 0.00 C ATOM 179 CD GLN A 15 5.317 1.825 11.415 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.537 2.318 12.230 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.486 1.304 11.769 1.00 0.00 N ATOM 0 H GLN A 15 2.271 2.158 7.375 1.00 0.00 H new ATOM 0 HA GLN A 15 4.301 0.106 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.872 2.124 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.294 0.564 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.688 1.138 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.092 2.783 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.102 0.906 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.768 1.302 12.749 1.00 0.00 H new ATOM 190 N LEU A 16 2.531 -1.605 8.000 1.00 0.00 N ATOM 191 CA LEU A 16 1.518 -2.654 7.994 1.00 0.00 C ATOM 192 C LEU A 16 1.449 -3.353 9.348 1.00 0.00 C ATOM 193 O LEU A 16 2.323 -3.173 10.196 1.00 0.00 O ATOM 194 CB LEU A 16 1.820 -3.675 6.896 1.00 0.00 C ATOM 195 CG LEU A 16 1.478 -3.246 5.468 1.00 0.00 C ATOM 196 CD1 LEU A 16 2.500 -2.245 4.953 1.00 0.00 C ATOM 197 CD2 LEU A 16 1.405 -4.457 4.550 1.00 0.00 C ATOM 0 H LEU A 16 3.463 -1.918 7.729 1.00 0.00 H new ATOM 0 HA LEU A 16 0.552 -2.190 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.882 -3.919 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.274 -4.591 7.119 1.00 0.00 H new ATOM 0 HG LEU A 16 0.500 -2.764 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.241 -1.951 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.503 -1.365 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.490 -2.701 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.161 -4.133 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.368 -4.968 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.634 -5.139 4.908 1.00 0.00 H new ATOM 209 N SER A 17 0.405 -4.152 9.544 1.00 0.00 N ATOM 210 CA SER A 17 0.221 -4.877 10.796 1.00 0.00 C ATOM 211 C SER A 17 -0.692 -6.083 10.596 1.00 0.00 C ATOM 212 O SER A 17 -1.286 -6.257 9.531 1.00 0.00 O ATOM 213 CB SER A 17 -0.364 -3.951 11.864 1.00 0.00 C ATOM 214 OG SER A 17 0.073 -2.616 11.678 1.00 0.00 O ATOM 0 H SER A 17 -0.326 -4.314 8.852 1.00 0.00 H new ATOM 0 HA SER A 17 1.196 -5.233 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.453 -3.989 11.826 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.068 -4.299 12.853 1.00 0.00 H new ATOM 0 HG SER A 17 -0.316 -2.045 12.373 1.00 0.00 H new ATOM 220 N LEU A 18 -0.798 -6.913 11.627 1.00 0.00 N ATOM 221 CA LEU A 18 -1.639 -8.104 11.567 1.00 0.00 C ATOM 222 C LEU A 18 -2.587 -8.162 12.760 1.00 0.00 C ATOM 223 O LEU A 18 -2.168 -8.219 13.916 1.00 0.00 O ATOM 224 CB LEU A 18 -0.771 -9.363 11.530 1.00 0.00 C ATOM 225 CG LEU A 18 -0.061 -9.650 10.206 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.004 -9.423 9.035 1.00 0.00 C ATOM 227 CD2 LEU A 18 1.182 -8.784 10.068 1.00 0.00 C ATOM 0 H LEU A 18 -0.312 -6.784 12.515 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.234 -8.053 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.018 -9.284 12.314 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.398 -10.220 11.776 1.00 0.00 H new ATOM 0 HG LEU A 18 0.247 -10.695 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.482 -9.632 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.864 -10.087 9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.344 -8.387 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.674 -9.002 9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.898 -7.732 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.866 -8.996 10.889 1.00 0.00 H new ATOM 239 N PRO A 19 -3.898 -8.148 12.475 1.00 0.00 N ATOM 240 CA PRO A 19 -4.934 -8.201 13.511 1.00 0.00 C ATOM 241 C PRO A 19 -4.997 -9.561 14.199 1.00 0.00 C ATOM 242 O PRO A 19 -5.240 -10.582 13.554 1.00 0.00 O ATOM 243 CB PRO A 19 -6.226 -7.933 12.735 1.00 0.00 C ATOM 244 CG PRO A 19 -5.928 -8.370 11.342 1.00 0.00 C ATOM 245 CD PRO A 19 -4.470 -8.081 11.120 1.00 0.00 C ATOM 0 HA PRO A 19 -4.746 -7.486 14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.063 -8.491 13.155 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.497 -6.878 12.770 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.139 -9.431 11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.546 -7.832 10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.012 -8.813 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.319 -7.101 10.668 1.00 0.00 H new ATOM 253 N ARG A 20 -4.778 -9.567 15.509 1.00 0.00 N ATOM 254 CA ARG A 20 -4.810 -10.802 16.283 1.00 0.00 C ATOM 255 C ARG A 20 -6.240 -11.315 16.430 1.00 0.00 C ATOM 256 O ARG A 20 -6.477 -12.351 17.051 1.00 0.00 O ATOM 257 CB ARG A 20 -4.193 -10.579 17.665 1.00 0.00 C ATOM 258 CG ARG A 20 -4.812 -9.421 18.429 1.00 0.00 C ATOM 259 CD ARG A 20 -4.435 -9.460 19.902 1.00 0.00 C ATOM 260 NE ARG A 20 -3.140 -8.833 20.152 1.00 0.00 N ATOM 261 CZ ARG A 20 -2.717 -8.478 21.360 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.482 -8.688 22.423 1.00 0.00 N ATOM 263 NH2 ARG A 20 -1.525 -7.912 21.508 1.00 0.00 N ATOM 0 H ARG A 20 -4.576 -8.731 16.057 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.226 -11.551 15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.301 -11.490 18.253 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.124 -10.398 17.551 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.482 -8.478 17.993 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.897 -9.456 18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.202 -8.952 20.486 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.408 -10.495 20.242 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.527 -8.658 19.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.398 -9.123 22.314 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.154 -8.414 23.349 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.933 -7.749 20.693 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.201 -7.640 22.436 1.00 0.00 H new ATOM 277 N GLU A 21 -7.188 -10.582 15.855 1.00 0.00 N ATOM 278 CA GLU A 21 -8.594 -10.963 15.924 1.00 0.00 C ATOM 279 C GLU A 21 -9.151 -11.242 14.531 1.00 0.00 C ATOM 280 O GLU A 21 -10.340 -11.514 14.369 1.00 0.00 O ATOM 281 CB GLU A 21 -9.412 -9.860 16.600 1.00 0.00 C ATOM 282 CG GLU A 21 -9.086 -9.677 18.073 1.00 0.00 C ATOM 283 CD GLU A 21 -10.096 -8.803 18.790 1.00 0.00 C ATOM 284 OE1 GLU A 21 -11.225 -8.658 18.276 1.00 0.00 O ATOM 285 OE2 GLU A 21 -9.758 -8.262 19.863 1.00 0.00 O ATOM 0 H GLU A 21 -7.008 -9.722 15.337 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.668 -11.875 16.516 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.238 -8.919 16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.472 -10.091 16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.048 -10.653 18.557 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.095 -9.234 18.170 1.00 0.00 H new ATOM 292 N ALA A 22 -8.281 -11.173 13.528 1.00 0.00 N ATOM 293 CA ALA A 22 -8.685 -11.419 12.149 1.00 0.00 C ATOM 294 C ALA A 22 -7.586 -12.142 11.377 1.00 0.00 C ATOM 295 O ALA A 22 -6.465 -11.647 11.266 1.00 0.00 O ATOM 296 CB ALA A 22 -9.043 -10.110 11.462 1.00 0.00 C ATOM 0 H ALA A 22 -7.293 -10.949 13.645 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.566 -12.061 12.163 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.343 -10.309 10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.866 -9.633 11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.177 -9.448 11.466 1.00 0.00 H new ATOM 302 N GLU A 23 -7.916 -13.315 10.845 1.00 0.00 N ATOM 303 CA GLU A 23 -6.955 -14.105 10.084 1.00 0.00 C ATOM 304 C GLU A 23 -6.947 -13.685 8.617 1.00 0.00 C ATOM 305 O GLU A 23 -7.968 -13.269 8.073 1.00 0.00 O ATOM 306 CB GLU A 23 -7.284 -15.595 10.198 1.00 0.00 C ATOM 307 CG GLU A 23 -7.562 -16.050 11.620 1.00 0.00 C ATOM 308 CD GLU A 23 -8.378 -17.327 11.675 1.00 0.00 C ATOM 309 OE1 GLU A 23 -8.086 -18.251 10.888 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.309 -17.402 12.504 1.00 0.00 O ATOM 0 H GLU A 23 -8.840 -13.739 10.927 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.964 -13.926 10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.154 -15.815 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.452 -16.174 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.616 -16.205 12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.093 -15.261 12.153 1.00 0.00 H new ATOM 317 N GLY A 24 -5.784 -13.798 7.982 1.00 0.00 N ATOM 318 CA GLY A 24 -5.662 -13.427 6.584 1.00 0.00 C ATOM 319 C GLY A 24 -6.013 -11.973 6.339 1.00 0.00 C ATOM 320 O GLY A 24 -6.625 -11.637 5.325 1.00 0.00 O ATOM 0 H GLY A 24 -4.924 -14.140 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.641 -13.613 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.315 -14.061 5.984 1.00 0.00 H new ATOM 324 N VAL A 25 -5.626 -11.106 7.270 1.00 0.00 N ATOM 325 CA VAL A 25 -5.904 -9.680 7.150 1.00 0.00 C ATOM 326 C VAL A 25 -4.656 -8.852 7.434 1.00 0.00 C ATOM 327 O VAL A 25 -3.847 -9.204 8.292 1.00 0.00 O ATOM 328 CB VAL A 25 -7.026 -9.244 8.111 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.315 -7.759 7.956 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.282 -10.068 7.870 1.00 0.00 C ATOM 0 H VAL A 25 -5.119 -11.367 8.116 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.227 -9.505 6.124 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.694 -9.420 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.110 -7.469 8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.415 -7.188 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.628 -7.554 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.065 -9.747 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.619 -9.925 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.063 -11.123 8.037 1.00 0.00 H new ATOM 340 N ILE A 26 -4.507 -7.748 6.708 1.00 0.00 N ATOM 341 CA ILE A 26 -3.359 -6.868 6.884 1.00 0.00 C ATOM 342 C ILE A 26 -3.797 -5.415 7.031 1.00 0.00 C ATOM 343 O ILE A 26 -4.513 -4.883 6.183 1.00 0.00 O ATOM 344 CB ILE A 26 -2.378 -6.980 5.702 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.679 -8.342 5.718 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.357 -5.854 5.752 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.820 -8.594 4.499 1.00 0.00 C ATOM 0 H ILE A 26 -5.167 -7.443 5.993 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.854 -7.186 7.796 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.941 -6.892 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.058 -8.412 6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.432 -9.127 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.671 -5.947 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.871 -4.894 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.796 -5.912 6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.356 -9.577 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.440 -8.556 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.045 -7.831 4.436 1.00 0.00 H new ATOM 359 N VAL A 27 -3.360 -4.777 8.112 1.00 0.00 N ATOM 360 CA VAL A 27 -3.704 -3.384 8.369 1.00 0.00 C ATOM 361 C VAL A 27 -2.588 -2.450 7.915 1.00 0.00 C ATOM 362 O VAL A 27 -1.583 -2.285 8.606 1.00 0.00 O ATOM 363 CB VAL A 27 -3.986 -3.142 9.863 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.440 -1.709 10.096 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.023 -4.129 10.376 1.00 0.00 C ATOM 0 H VAL A 27 -2.767 -5.203 8.824 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.607 -3.170 7.798 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.062 -3.299 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.635 -1.557 11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.660 -1.022 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.352 -1.519 9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.210 -3.943 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.950 -4.006 9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.653 -5.146 10.246 1.00 0.00 H new ATOM 375 N GLY A 28 -2.772 -1.839 6.749 1.00 0.00 N ATOM 376 CA GLY A 28 -1.772 -0.927 6.223 1.00 0.00 C ATOM 377 C GLY A 28 -2.047 0.515 6.600 1.00 0.00 C ATOM 378 O GLY A 28 -3.063 1.086 6.203 1.00 0.00 O ATOM 0 H GLY A 28 -3.595 -1.959 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.789 -1.216 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.739 -1.016 5.137 1.00 0.00 H new ATOM 382 N HIS A 29 -1.140 1.106 7.372 1.00 0.00 N ATOM 383 CA HIS A 29 -1.290 2.491 7.804 1.00 0.00 C ATOM 384 C HIS A 29 -0.295 3.396 7.084 1.00 0.00 C ATOM 385 O HIS A 29 0.761 2.944 6.639 1.00 0.00 O ATOM 386 CB HIS A 29 -1.093 2.599 9.317 1.00 0.00 C ATOM 387 CG HIS A 29 -2.274 2.131 10.109 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.744 2.795 11.223 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.083 1.059 9.943 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.790 2.150 11.708 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.017 1.093 10.950 1.00 0.00 N ATOM 0 H HIS A 29 -0.294 0.648 7.711 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.299 2.817 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.219 2.015 9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.881 3.637 9.574 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.346 3.650 11.611 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.008 0.315 9.164 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.362 2.438 12.577 1.00 0.00 H new ATOM 399 N TRP A 30 -0.638 4.674 6.972 1.00 0.00 N ATOM 400 CA TRP A 30 0.225 5.642 6.305 1.00 0.00 C ATOM 401 C TRP A 30 -0.107 7.062 6.748 1.00 0.00 C ATOM 402 O TRP A 30 -0.960 7.271 7.609 1.00 0.00 O ATOM 403 CB TRP A 30 0.083 5.521 4.787 1.00 0.00 C ATOM 404 CG TRP A 30 -1.326 5.694 4.306 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.947 6.870 3.994 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.290 4.659 4.086 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.238 6.628 3.592 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.473 5.279 3.639 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.268 3.268 4.220 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.621 4.555 3.328 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.409 2.551 3.912 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.572 3.195 3.469 1.00 0.00 C ATOM 0 H TRP A 30 -1.508 5.064 7.335 1.00 0.00 H new ATOM 0 HA TRP A 30 1.256 5.426 6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.717 6.268 4.309 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.449 4.544 4.472 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.490 7.847 4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.912 7.337 3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.376 2.762 4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.519 5.050 2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.404 1.476 4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.447 2.606 3.234 1.00 0.00 H new ATOM 423 N ALA A 31 0.573 8.037 6.153 1.00 0.00 N ATOM 424 CA ALA A 31 0.349 9.438 6.485 1.00 0.00 C ATOM 425 C ALA A 31 -0.014 10.245 5.243 1.00 0.00 C ATOM 426 O ALA A 31 0.221 9.825 4.109 1.00 0.00 O ATOM 427 CB ALA A 31 1.581 10.026 7.156 1.00 0.00 C ATOM 0 H ALA A 31 1.284 7.882 5.438 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.489 9.491 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.399 11.073 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.795 9.474 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.433 9.953 6.480 1.00 0.00 H new ATOM 433 N PRO A 32 -0.602 11.432 5.458 1.00 0.00 N ATOM 434 CA PRO A 32 -1.011 12.322 4.368 1.00 0.00 C ATOM 435 C PRO A 32 0.182 12.934 3.641 1.00 0.00 C ATOM 436 O PRO A 32 1.243 13.162 4.223 1.00 0.00 O ATOM 437 CB PRO A 32 -1.818 13.409 5.081 1.00 0.00 C ATOM 438 CG PRO A 32 -1.293 13.417 6.475 1.00 0.00 C ATOM 439 CD PRO A 32 -0.913 11.995 6.782 1.00 0.00 C ATOM 0 HA PRO A 32 -1.572 11.792 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.685 14.379 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.885 13.187 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.432 14.079 6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.047 13.779 7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.055 11.944 7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.728 11.457 7.266 1.00 0.00 H new ATOM 447 N PRO A 33 0.007 13.208 2.340 1.00 0.00 N ATOM 448 CA PRO A 33 1.059 13.799 1.507 1.00 0.00 C ATOM 449 C PRO A 33 1.343 15.251 1.875 1.00 0.00 C ATOM 450 O PRO A 33 0.423 16.024 2.146 1.00 0.00 O ATOM 451 CB PRO A 33 0.482 13.709 0.092 1.00 0.00 C ATOM 452 CG PRO A 33 -0.995 13.686 0.285 1.00 0.00 C ATOM 453 CD PRO A 33 -1.231 12.963 1.582 1.00 0.00 C ATOM 0 HA PRO A 33 2.012 13.284 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.789 14.561 -0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.828 12.811 -0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.400 14.697 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.489 13.176 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.105 13.351 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.401 11.898 1.423 1.00 0.00 H new ATOM 461 N ILE A 34 2.620 15.616 1.883 1.00 0.00 N ATOM 462 CA ILE A 34 3.024 16.976 2.216 1.00 0.00 C ATOM 463 C ILE A 34 2.236 17.999 1.404 1.00 0.00 C ATOM 464 O ILE A 34 1.576 18.876 1.962 1.00 0.00 O ATOM 465 CB ILE A 34 4.529 17.193 1.972 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.349 16.185 2.779 1.00 0.00 C ATOM 467 CG2 ILE A 34 4.925 18.617 2.334 1.00 0.00 C ATOM 468 CD1 ILE A 34 5.591 14.881 2.051 1.00 0.00 C ATOM 0 H ILE A 34 3.393 14.988 1.663 1.00 0.00 H new ATOM 0 HA ILE A 34 2.812 17.116 3.276 1.00 0.00 H new ATOM 0 HB ILE A 34 4.736 17.037 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.309 16.632 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.834 15.978 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.992 18.754 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.361 19.319 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.706 18.799 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.178 14.215 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.635 14.411 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.134 15.076 1.126 1.00 0.00 H new ATOM 480 N HIS A 35 2.309 17.878 0.082 1.00 0.00 N ATOM 481 CA HIS A 35 1.600 18.790 -0.809 1.00 0.00 C ATOM 482 C HIS A 35 0.986 18.035 -1.984 1.00 0.00 C ATOM 483 O HIS A 35 1.542 17.043 -2.457 1.00 0.00 O ATOM 484 CB HIS A 35 2.549 19.874 -1.324 1.00 0.00 C ATOM 485 CG HIS A 35 3.263 19.494 -2.584 1.00 0.00 C ATOM 486 ND1 HIS A 35 2.611 19.246 -3.773 1.00 0.00 N ATOM 487 CD2 HIS A 35 4.582 19.323 -2.837 1.00 0.00 C ATOM 488 CE1 HIS A 35 3.498 18.936 -4.702 1.00 0.00 C ATOM 489 NE2 HIS A 35 4.701 18.976 -4.160 1.00 0.00 N ATOM 0 H HIS A 35 2.851 17.158 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 35 0.796 19.260 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.982 20.789 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.285 20.098 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.390 19.438 -2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.276 18.691 -5.730 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.577 18.781 -4.645 1.00 0.00 H new ATOM 497 N THR A 36 -0.165 18.510 -2.450 1.00 0.00 N ATOM 498 CA THR A 36 -0.855 17.879 -3.568 1.00 0.00 C ATOM 499 C THR A 36 -1.414 18.922 -4.528 1.00 0.00 C ATOM 500 O THR A 36 -1.685 20.059 -4.138 1.00 0.00 O ATOM 501 CB THR A 36 -2.006 16.978 -3.080 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.661 17.583 -1.960 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.487 15.603 -2.689 1.00 0.00 C ATOM 0 H THR A 36 -0.639 19.330 -2.070 1.00 0.00 H new ATOM 0 HA THR A 36 -0.119 17.267 -4.089 1.00 0.00 H new ATOM 0 HB THR A 36 -2.719 16.861 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.024 16.884 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.317 14.984 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.015 15.133 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.756 15.705 -1.887 1.00 0.00 H new ATOM 511 N HIS A 37 -1.585 18.530 -5.787 1.00 0.00 N ATOM 512 CA HIS A 37 -2.114 19.432 -6.804 1.00 0.00 C ATOM 513 C HIS A 37 -3.586 19.737 -6.547 1.00 0.00 C ATOM 514 O HIS A 37 -3.991 20.898 -6.505 1.00 0.00 O ATOM 515 CB HIS A 37 -1.943 18.822 -8.195 1.00 0.00 C ATOM 516 CG HIS A 37 -0.560 18.974 -8.751 1.00 0.00 C ATOM 517 ND1 HIS A 37 0.559 19.111 -7.956 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.118 19.010 -10.030 1.00 0.00 C ATOM 519 CE1 HIS A 37 1.629 19.226 -8.723 1.00 0.00 C ATOM 520 NE2 HIS A 37 1.245 19.167 -9.986 1.00 0.00 N ATOM 0 H HIS A 37 -1.365 17.594 -6.127 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.554 20.366 -6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.193 17.762 -8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.653 19.289 -8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.725 18.930 -10.920 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.645 19.348 -8.376 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.861 19.228 -10.797 1.00 0.00 H new ATOM 528 N GLY A 38 -4.383 18.687 -6.376 1.00 0.00 N ATOM 529 CA GLY A 38 -5.801 18.864 -6.126 1.00 0.00 C ATOM 530 C GLY A 38 -6.252 18.193 -4.844 1.00 0.00 C ATOM 531 O GLY A 38 -5.726 17.147 -4.463 1.00 0.00 O ATOM 0 H GLY A 38 -4.071 17.716 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.027 19.929 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.368 18.458 -6.964 1.00 0.00 H new ATOM 535 N LEU A 39 -7.229 18.796 -4.174 1.00 0.00 N ATOM 536 CA LEU A 39 -7.750 18.251 -2.926 1.00 0.00 C ATOM 537 C LEU A 39 -7.823 16.729 -2.984 1.00 0.00 C ATOM 538 O LEU A 39 -8.543 16.163 -3.807 1.00 0.00 O ATOM 539 CB LEU A 39 -9.136 18.829 -2.634 1.00 0.00 C ATOM 540 CG LEU A 39 -9.951 18.108 -1.560 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.236 18.166 -0.219 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.343 18.712 -1.451 1.00 0.00 C ATOM 0 H LEU A 39 -7.676 19.662 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.069 18.533 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.018 19.870 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.711 18.827 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.053 17.062 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.831 17.648 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.261 17.686 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.103 19.206 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.909 18.186 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.262 19.766 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.857 18.617 -2.408 1.00 0.00 H new ATOM 554 N ILE A 40 -7.074 16.072 -2.105 1.00 0.00 N ATOM 555 CA ILE A 40 -7.056 14.615 -2.055 1.00 0.00 C ATOM 556 C ILE A 40 -8.462 14.055 -1.863 1.00 0.00 C ATOM 557 O ILE A 40 -9.106 14.303 -0.844 1.00 0.00 O ATOM 558 CB ILE A 40 -6.152 14.102 -0.919 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.737 14.664 -1.070 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.125 12.581 -0.909 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.011 14.836 0.245 1.00 0.00 C ATOM 0 H ILE A 40 -6.472 16.525 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.657 14.271 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.559 14.445 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.158 14.000 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.790 15.628 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.482 12.234 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.135 12.200 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.739 12.218 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.015 15.238 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.568 15.524 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.926 13.870 0.743 1.00 0.00 H new ATOM 573 N ARG A 41 -8.930 13.297 -2.849 1.00 0.00 N ATOM 574 CA ARG A 41 -10.259 12.700 -2.789 1.00 0.00 C ATOM 575 C ARG A 41 -10.258 11.460 -1.899 1.00 0.00 C ATOM 576 O ARG A 41 -11.125 11.301 -1.040 1.00 0.00 O ATOM 577 CB ARG A 41 -10.740 12.333 -4.193 1.00 0.00 C ATOM 578 CG ARG A 41 -10.837 13.522 -5.134 1.00 0.00 C ATOM 579 CD ARG A 41 -11.715 13.211 -6.337 1.00 0.00 C ATOM 580 NE ARG A 41 -12.359 14.409 -6.869 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.284 15.100 -6.212 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.672 14.713 -5.005 1.00 0.00 N ATOM 583 NH2 ARG A 41 -13.824 16.180 -6.763 1.00 0.00 N ATOM 0 H ARG A 41 -8.409 13.082 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.941 13.434 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.059 11.597 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.718 11.858 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.243 14.380 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.839 13.801 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.111 12.748 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.477 12.486 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.083 14.733 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.260 13.883 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.382 15.245 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.529 16.480 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.534 16.710 -6.257 1.00 0.00 H new ATOM 597 N GLU A 42 -9.280 10.585 -2.113 1.00 0.00 N ATOM 598 CA GLU A 42 -9.169 9.359 -1.331 1.00 0.00 C ATOM 599 C GLU A 42 -7.792 8.725 -1.508 1.00 0.00 C ATOM 600 O GLU A 42 -6.923 9.279 -2.180 1.00 0.00 O ATOM 601 CB GLU A 42 -10.258 8.366 -1.741 1.00 0.00 C ATOM 602 CG GLU A 42 -10.317 8.112 -3.238 1.00 0.00 C ATOM 603 CD GLU A 42 -11.659 7.564 -3.684 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.180 6.650 -3.010 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.188 8.047 -4.706 1.00 0.00 O ATOM 0 H GLU A 42 -8.554 10.702 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.300 9.615 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.088 7.420 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.225 8.741 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.114 9.042 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.531 7.409 -3.515 1.00 0.00 H new ATOM 612 N TYR A 43 -7.603 7.559 -0.900 1.00 0.00 N ATOM 613 CA TYR A 43 -6.332 6.849 -0.987 1.00 0.00 C ATOM 614 C TYR A 43 -6.549 5.389 -1.372 1.00 0.00 C ATOM 615 O TYR A 43 -7.240 4.647 -0.673 1.00 0.00 O ATOM 616 CB TYR A 43 -5.586 6.931 0.345 1.00 0.00 C ATOM 617 CG TYR A 43 -5.347 8.347 0.820 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.205 9.044 0.445 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.265 8.989 1.642 1.00 0.00 C ATOM 620 CE1 TYR A 43 -3.983 10.337 0.876 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.052 10.282 2.077 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.910 10.952 1.692 1.00 0.00 C ATOM 623 OH TYR A 43 -4.693 12.241 2.123 1.00 0.00 O ATOM 0 H TYR A 43 -8.313 7.086 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.731 7.325 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.155 6.393 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.627 6.423 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.478 8.566 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.161 8.468 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.089 10.864 0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.776 10.766 2.716 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.441 12.527 2.688 1.00 0.00 H new ATOM 633 N ILE A 44 -5.953 4.984 -2.489 1.00 0.00 N ATOM 634 CA ILE A 44 -6.079 3.612 -2.966 1.00 0.00 C ATOM 635 C ILE A 44 -5.004 2.718 -2.359 1.00 0.00 C ATOM 636 O ILE A 44 -3.914 3.180 -2.022 1.00 0.00 O ATOM 637 CB ILE A 44 -5.983 3.540 -4.502 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.715 2.302 -5.023 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.527 3.525 -4.942 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.112 2.402 -6.479 1.00 0.00 C ATOM 0 H ILE A 44 -5.379 5.586 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.061 3.258 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.460 4.425 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.076 1.429 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.609 2.139 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.476 3.474 -6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.034 4.434 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.027 2.656 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.626 1.489 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.776 3.255 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.220 2.534 -7.091 1.00 0.00 H new ATOM 652 N VAL A 45 -5.318 1.433 -2.223 1.00 0.00 N ATOM 653 CA VAL A 45 -4.378 0.472 -1.658 1.00 0.00 C ATOM 654 C VAL A 45 -4.276 -0.774 -2.531 1.00 0.00 C ATOM 655 O VAL A 45 -5.255 -1.497 -2.714 1.00 0.00 O ATOM 656 CB VAL A 45 -4.790 0.055 -0.234 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.597 1.210 0.737 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.231 -0.432 -0.216 1.00 0.00 C ATOM 0 H VAL A 45 -6.216 1.034 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.407 0.965 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.149 -0.768 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.893 0.897 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.548 1.507 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.211 2.055 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.504 -0.722 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.890 0.368 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.333 -1.291 -0.879 1.00 0.00 H new ATOM 668 N GLU A 46 -3.084 -1.018 -3.067 1.00 0.00 N ATOM 669 CA GLU A 46 -2.855 -2.178 -3.921 1.00 0.00 C ATOM 670 C GLU A 46 -2.056 -3.248 -3.182 1.00 0.00 C ATOM 671 O GLU A 46 -0.940 -3.001 -2.725 1.00 0.00 O ATOM 672 CB GLU A 46 -2.115 -1.762 -5.194 1.00 0.00 C ATOM 673 CG GLU A 46 -3.031 -1.230 -6.284 1.00 0.00 C ATOM 674 CD GLU A 46 -2.274 -0.818 -7.532 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.040 -0.647 -7.447 1.00 0.00 O ATOM 676 OE2 GLU A 46 -2.916 -0.667 -8.592 1.00 0.00 O ATOM 0 H GLU A 46 -2.263 -0.429 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.825 -2.596 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.380 -0.997 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.564 -2.619 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.763 -1.995 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.586 -0.374 -5.901 1.00 0.00 H new ATOM 683 N TYR A 47 -2.637 -4.438 -3.069 1.00 0.00 N ATOM 684 CA TYR A 47 -1.982 -5.546 -2.384 1.00 0.00 C ATOM 685 C TYR A 47 -1.972 -6.797 -3.257 1.00 0.00 C ATOM 686 O TYR A 47 -2.901 -7.037 -4.028 1.00 0.00 O ATOM 687 CB TYR A 47 -2.687 -5.841 -1.059 1.00 0.00 C ATOM 688 CG TYR A 47 -4.177 -6.053 -1.200 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.050 -4.973 -1.260 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.713 -7.333 -1.273 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.412 -5.163 -1.388 1.00 0.00 C ATOM 692 CE2 TYR A 47 -6.074 -7.532 -1.402 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.919 -6.443 -1.459 1.00 0.00 C ATOM 694 OH TYR A 47 -8.276 -6.636 -1.587 1.00 0.00 O ATOM 0 H TYR A 47 -3.560 -4.660 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.950 -5.257 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.243 -6.730 -0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.510 -5.015 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.657 -3.969 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.054 -8.187 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.077 -4.313 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.474 -8.534 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.468 -7.596 -1.624 1.00 0.00 H new ATOM 704 N SER A 48 -0.913 -7.590 -3.130 1.00 0.00 N ATOM 705 CA SER A 48 -0.779 -8.816 -3.909 1.00 0.00 C ATOM 706 C SER A 48 0.159 -9.800 -3.217 1.00 0.00 C ATOM 707 O SER A 48 1.107 -9.399 -2.540 1.00 0.00 O ATOM 708 CB SER A 48 -0.257 -8.498 -5.312 1.00 0.00 C ATOM 709 OG SER A 48 0.197 -9.671 -5.965 1.00 0.00 O ATOM 0 H SER A 48 -0.136 -7.406 -2.496 1.00 0.00 H new ATOM 0 HA SER A 48 -1.764 -9.276 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.048 -8.033 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.557 -7.777 -5.246 1.00 0.00 H new ATOM 0 HG SER A 48 -0.430 -9.911 -6.679 1.00 0.00 H new ATOM 715 N ARG A 49 -0.113 -11.089 -3.390 1.00 0.00 N ATOM 716 CA ARG A 49 0.705 -12.131 -2.781 1.00 0.00 C ATOM 717 C ARG A 49 2.107 -12.143 -3.383 1.00 0.00 C ATOM 718 O ARG A 49 2.270 -12.150 -4.603 1.00 0.00 O ATOM 719 CB ARG A 49 0.047 -13.499 -2.968 1.00 0.00 C ATOM 720 CG ARG A 49 0.627 -14.581 -2.072 1.00 0.00 C ATOM 721 CD ARG A 49 -0.311 -15.772 -1.957 1.00 0.00 C ATOM 722 NE ARG A 49 -0.748 -16.253 -3.265 1.00 0.00 N ATOM 723 CZ ARG A 49 -0.049 -17.104 -4.006 1.00 0.00 C ATOM 724 NH1 ARG A 49 1.114 -17.567 -3.571 1.00 0.00 N ATOM 725 NH2 ARG A 49 -0.513 -17.495 -5.187 1.00 0.00 N ATOM 0 H ARG A 49 -0.894 -11.437 -3.947 1.00 0.00 H new ATOM 0 HA ARG A 49 0.788 -11.917 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.021 -13.409 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.154 -13.805 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.587 -14.910 -2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.818 -14.170 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.191 -16.579 -1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.182 -15.492 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.639 -15.916 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.474 -17.270 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.649 -18.221 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.408 -17.141 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.025 -18.149 -5.755 1.00 0.00 H new ATOM 739 N SER A 50 3.117 -12.144 -2.518 1.00 0.00 N ATOM 740 CA SER A 50 4.505 -12.150 -2.964 1.00 0.00 C ATOM 741 C SER A 50 4.662 -12.974 -4.239 1.00 0.00 C ATOM 742 O SER A 50 4.638 -14.204 -4.203 1.00 0.00 O ATOM 743 CB SER A 50 5.413 -12.709 -1.867 1.00 0.00 C ATOM 744 OG SER A 50 5.106 -14.065 -1.592 1.00 0.00 O ATOM 0 H SER A 50 3.000 -12.141 -1.505 1.00 0.00 H new ATOM 0 HA SER A 50 4.797 -11.122 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.455 -12.624 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.300 -12.116 -0.959 1.00 0.00 H new ATOM 0 HG SER A 50 4.834 -14.513 -2.420 1.00 0.00 H new ATOM 750 N GLY A 51 4.824 -12.286 -5.365 1.00 0.00 N ATOM 751 CA GLY A 51 4.983 -12.969 -6.635 1.00 0.00 C ATOM 752 C GLY A 51 3.654 -13.322 -7.274 1.00 0.00 C ATOM 753 O GLY A 51 3.210 -14.468 -7.207 1.00 0.00 O ATOM 0 H GLY A 51 4.848 -11.268 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.553 -12.336 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.563 -13.879 -6.484 1.00 0.00 H new ATOM 757 N SER A 52 3.017 -12.334 -7.895 1.00 0.00 N ATOM 758 CA SER A 52 1.728 -12.545 -8.544 1.00 0.00 C ATOM 759 C SER A 52 1.432 -11.427 -9.539 1.00 0.00 C ATOM 760 O SER A 52 1.868 -10.289 -9.361 1.00 0.00 O ATOM 761 CB SER A 52 0.614 -12.622 -7.499 1.00 0.00 C ATOM 762 OG SER A 52 -0.643 -12.855 -8.110 1.00 0.00 O ATOM 0 H SER A 52 3.372 -11.380 -7.962 1.00 0.00 H new ATOM 0 HA SER A 52 1.772 -13.489 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.831 -13.421 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.579 -11.692 -6.931 1.00 0.00 H new ATOM 0 HG SER A 52 -1.338 -12.902 -7.421 1.00 0.00 H new ATOM 768 N LYS A 53 0.686 -11.758 -10.587 1.00 0.00 N ATOM 769 CA LYS A 53 0.328 -10.784 -11.611 1.00 0.00 C ATOM 770 C LYS A 53 -1.026 -10.150 -11.309 1.00 0.00 C ATOM 771 O LYS A 53 -1.490 -9.277 -12.043 1.00 0.00 O ATOM 772 CB LYS A 53 0.296 -11.450 -12.988 1.00 0.00 C ATOM 773 CG LYS A 53 1.526 -12.289 -13.288 1.00 0.00 C ATOM 774 CD LYS A 53 1.358 -13.087 -14.570 1.00 0.00 C ATOM 775 CE LYS A 53 2.637 -13.823 -14.940 1.00 0.00 C ATOM 776 NZ LYS A 53 3.575 -12.955 -15.705 1.00 0.00 N ATOM 0 H LYS A 53 0.317 -12.695 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 53 1.085 -9.999 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.590 -12.082 -13.056 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.197 -10.679 -13.753 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.398 -11.640 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.715 -12.969 -12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.546 -13.804 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.074 -12.418 -15.382 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.127 -14.177 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.391 -14.703 -15.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.434 -13.493 -15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.116 -12.637 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.830 -12.128 -15.129 1.00 0.00 H new ATOM 790 N MET A 54 -1.653 -10.593 -10.225 1.00 0.00 N ATOM 791 CA MET A 54 -2.953 -10.066 -9.826 1.00 0.00 C ATOM 792 C MET A 54 -2.815 -9.131 -8.628 1.00 0.00 C ATOM 793 O MET A 54 -2.176 -9.471 -7.633 1.00 0.00 O ATOM 794 CB MET A 54 -3.909 -11.210 -9.486 1.00 0.00 C ATOM 795 CG MET A 54 -4.244 -12.096 -10.676 1.00 0.00 C ATOM 796 SD MET A 54 -5.883 -12.837 -10.550 1.00 0.00 S ATOM 797 CE MET A 54 -5.457 -14.545 -10.216 1.00 0.00 C ATOM 0 H MET A 54 -1.283 -11.315 -9.607 1.00 0.00 H new ATOM 0 HA MET A 54 -3.360 -9.499 -10.663 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.465 -11.822 -8.701 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.832 -10.794 -9.082 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.185 -11.506 -11.591 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.498 -12.886 -10.757 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.368 -15.134 -10.112 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.862 -14.940 -11.040 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.881 -14.602 -9.293 1.00 0.00 H new ATOM 807 N TRP A 55 -3.419 -7.952 -8.732 1.00 0.00 N ATOM 808 CA TRP A 55 -3.363 -6.968 -7.657 1.00 0.00 C ATOM 809 C TRP A 55 -4.750 -6.414 -7.353 1.00 0.00 C ATOM 810 O TRP A 55 -5.469 -5.985 -8.255 1.00 0.00 O ATOM 811 CB TRP A 55 -2.416 -5.827 -8.031 1.00 0.00 C ATOM 812 CG TRP A 55 -0.973 -6.232 -8.045 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.335 -6.959 -9.009 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.010 -5.936 -7.047 1.00 0.00 C ATOM 815 NE1 TRP A 55 0.986 -7.132 -8.671 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.223 -6.513 -7.472 1.00 0.00 C ATOM 817 CE3 TRP A 55 -0.015 -5.237 -5.837 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.395 -6.413 -6.728 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.149 -5.139 -5.100 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.341 -5.724 -5.547 1.00 0.00 C ATOM 0 H TRP A 55 -3.952 -7.655 -9.549 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.987 -7.465 -6.763 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.688 -5.446 -9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.549 -5.008 -7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.800 -7.342 -9.905 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.678 -7.639 -9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.929 -4.781 -5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.315 -6.863 -7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.140 -4.602 -4.163 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.235 -5.629 -4.948 1.00 0.00 H new ATOM 831 N ALA A 56 -5.121 -6.427 -6.076 1.00 0.00 N ATOM 832 CA ALA A 56 -6.422 -5.924 -5.654 1.00 0.00 C ATOM 833 C ALA A 56 -6.321 -4.484 -5.161 1.00 0.00 C ATOM 834 O ALA A 56 -5.582 -4.190 -4.221 1.00 0.00 O ATOM 835 CB ALA A 56 -7.006 -6.815 -4.568 1.00 0.00 C ATOM 0 H ALA A 56 -4.539 -6.780 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.087 -5.939 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.978 -6.427 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.124 -7.828 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.335 -6.829 -3.709 1.00 0.00 H new ATOM 841 N SER A 57 -7.066 -3.590 -5.802 1.00 0.00 N ATOM 842 CA SER A 57 -7.056 -2.180 -5.432 1.00 0.00 C ATOM 843 C SER A 57 -8.399 -1.764 -4.838 1.00 0.00 C ATOM 844 O SER A 57 -9.456 -2.103 -5.370 1.00 0.00 O ATOM 845 CB SER A 57 -6.735 -1.312 -6.650 1.00 0.00 C ATOM 846 OG SER A 57 -7.664 -1.538 -7.696 1.00 0.00 O ATOM 0 H SER A 57 -7.685 -3.817 -6.581 1.00 0.00 H new ATOM 0 HA SER A 57 -6.283 -2.035 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.752 -0.260 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.727 -1.531 -7.001 1.00 0.00 H new ATOM 0 HG SER A 57 -7.438 -0.970 -8.462 1.00 0.00 H new ATOM 852 N GLN A 58 -8.348 -1.029 -3.732 1.00 0.00 N ATOM 853 CA GLN A 58 -9.560 -0.568 -3.065 1.00 0.00 C ATOM 854 C GLN A 58 -9.378 0.845 -2.521 1.00 0.00 C ATOM 855 O GLN A 58 -8.254 1.298 -2.307 1.00 0.00 O ATOM 856 CB GLN A 58 -9.936 -1.520 -1.929 1.00 0.00 C ATOM 857 CG GLN A 58 -8.912 -1.562 -0.806 1.00 0.00 C ATOM 858 CD GLN A 58 -9.400 -2.338 0.401 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.598 -2.576 0.558 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.472 -2.738 1.263 1.00 0.00 N ATOM 0 H GLN A 58 -7.481 -0.740 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.366 -0.554 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.900 -1.220 -1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.060 -2.524 -2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.992 -2.014 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.668 -0.544 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.490 -2.519 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.741 -3.264 2.094 1.00 0.00 H new ATOM 869 N ARG A 59 -10.491 1.537 -2.301 1.00 0.00 N ATOM 870 CA ARG A 59 -10.454 2.899 -1.783 1.00 0.00 C ATOM 871 C ARG A 59 -10.446 2.901 -0.257 1.00 0.00 C ATOM 872 O ARG A 59 -10.905 1.952 0.377 1.00 0.00 O ATOM 873 CB ARG A 59 -11.654 3.696 -2.298 1.00 0.00 C ATOM 874 CG ARG A 59 -11.978 3.433 -3.760 1.00 0.00 C ATOM 875 CD ARG A 59 -10.876 3.944 -4.675 1.00 0.00 C ATOM 876 NE ARG A 59 -11.334 4.089 -6.054 1.00 0.00 N ATOM 877 CZ ARG A 59 -10.603 4.640 -7.017 1.00 0.00 C ATOM 878 NH1 ARG A 59 -9.386 5.095 -6.752 1.00 0.00 N ATOM 879 NH2 ARG A 59 -11.089 4.737 -8.248 1.00 0.00 N ATOM 0 H ARG A 59 -11.430 1.177 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.536 3.369 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.527 3.454 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.458 4.760 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.116 2.363 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.920 3.917 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.518 4.906 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.031 3.256 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.266 3.749 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.009 5.022 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.827 5.518 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.025 4.388 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.527 5.160 -8.986 1.00 0.00 H new ATOM 893 N ALA A 60 -9.920 3.974 0.325 1.00 0.00 N ATOM 894 CA ALA A 60 -9.854 4.100 1.776 1.00 0.00 C ATOM 895 C ALA A 60 -10.147 5.530 2.217 1.00 0.00 C ATOM 896 O ALA A 60 -9.465 6.468 1.805 1.00 0.00 O ATOM 897 CB ALA A 60 -8.488 3.659 2.282 1.00 0.00 C ATOM 0 H ALA A 60 -9.534 4.768 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.616 3.451 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.452 3.758 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.317 2.618 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.715 4.284 1.835 1.00 0.00 H new ATOM 903 N ALA A 61 -11.165 5.689 3.056 1.00 0.00 N ATOM 904 CA ALA A 61 -11.547 7.005 3.553 1.00 0.00 C ATOM 905 C ALA A 61 -10.462 7.588 4.453 1.00 0.00 C ATOM 906 O ALA A 61 -10.029 8.724 4.262 1.00 0.00 O ATOM 907 CB ALA A 61 -12.869 6.923 4.302 1.00 0.00 C ATOM 0 H ALA A 61 -11.740 4.923 3.406 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.668 7.669 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.142 7.913 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.646 6.557 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.768 6.240 5.145 1.00 0.00 H new ATOM 913 N SER A 62 -10.028 6.803 5.433 1.00 0.00 N ATOM 914 CA SER A 62 -8.997 7.243 6.366 1.00 0.00 C ATOM 915 C SER A 62 -7.605 6.979 5.800 1.00 0.00 C ATOM 916 O SER A 62 -7.460 6.492 4.680 1.00 0.00 O ATOM 917 CB SER A 62 -9.158 6.531 7.710 1.00 0.00 C ATOM 918 OG SER A 62 -10.105 7.195 8.529 1.00 0.00 O ATOM 0 H SER A 62 -10.374 5.859 5.602 1.00 0.00 H new ATOM 0 HA SER A 62 -9.111 8.316 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.475 5.501 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.196 6.490 8.221 1.00 0.00 H new ATOM 0 HG SER A 62 -10.191 6.719 9.381 1.00 0.00 H new ATOM 924 N ASN A 63 -6.583 7.304 6.585 1.00 0.00 N ATOM 925 CA ASN A 63 -5.201 7.103 6.164 1.00 0.00 C ATOM 926 C ASN A 63 -4.767 5.659 6.395 1.00 0.00 C ATOM 927 O ASN A 63 -3.575 5.349 6.386 1.00 0.00 O ATOM 928 CB ASN A 63 -4.272 8.055 6.920 1.00 0.00 C ATOM 929 CG ASN A 63 -4.342 9.474 6.391 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.373 10.138 6.498 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.242 9.946 5.816 1.00 0.00 N ATOM 0 H ASN A 63 -6.686 7.708 7.516 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.137 7.316 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.535 8.051 7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.247 7.693 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.229 10.895 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.410 9.360 5.749 1.00 0.00 H new ATOM 938 N PHE A 64 -5.741 4.780 6.601 1.00 0.00 N ATOM 939 CA PHE A 64 -5.460 3.368 6.835 1.00 0.00 C ATOM 940 C PHE A 64 -6.559 2.490 6.245 1.00 0.00 C ATOM 941 O PHE A 64 -7.611 2.982 5.835 1.00 0.00 O ATOM 942 CB PHE A 64 -5.323 3.095 8.334 1.00 0.00 C ATOM 943 CG PHE A 64 -6.622 2.739 9.000 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.674 3.640 9.023 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.791 1.503 9.603 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.871 3.316 9.634 1.00 0.00 C ATOM 947 CE2 PHE A 64 -7.985 1.173 10.215 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.026 2.081 10.231 1.00 0.00 C ATOM 0 H PHE A 64 -6.732 5.020 6.611 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.520 3.124 6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.612 2.282 8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.905 3.977 8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.558 4.608 8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.980 0.789 9.595 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.683 4.028 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.104 0.206 10.681 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.960 1.825 10.710 1.00 0.00 H new ATOM 958 N THR A 65 -6.308 1.185 6.204 1.00 0.00 N ATOM 959 CA THR A 65 -7.274 0.237 5.663 1.00 0.00 C ATOM 960 C THR A 65 -7.025 -1.168 6.199 1.00 0.00 C ATOM 961 O THR A 65 -6.040 -1.410 6.897 1.00 0.00 O ATOM 962 CB THR A 65 -7.225 0.203 4.124 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.364 -0.499 3.613 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.950 -0.469 3.637 1.00 0.00 C ATOM 0 H THR A 65 -5.443 0.761 6.539 1.00 0.00 H new ATOM 0 HA THR A 65 -8.261 0.574 5.981 1.00 0.00 H new ATOM 0 HB THR A 65 -7.237 1.230 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.326 -0.515 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.938 -0.481 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.085 0.084 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.912 -1.492 4.011 1.00 0.00 H new ATOM 972 N GLU A 66 -7.923 -2.091 5.868 1.00 0.00 N ATOM 973 CA GLU A 66 -7.799 -3.473 6.318 1.00 0.00 C ATOM 974 C GLU A 66 -7.940 -4.441 5.146 1.00 0.00 C ATOM 975 O GLU A 66 -9.050 -4.749 4.713 1.00 0.00 O ATOM 976 CB GLU A 66 -8.855 -3.783 7.380 1.00 0.00 C ATOM 977 CG GLU A 66 -8.417 -3.438 8.793 1.00 0.00 C ATOM 978 CD GLU A 66 -9.579 -3.049 9.686 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.044 -1.894 9.586 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.024 -3.900 10.486 1.00 0.00 O ATOM 0 H GLU A 66 -8.743 -1.907 5.290 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.808 -3.599 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.766 -3.232 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.104 -4.843 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.900 -4.293 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.701 -2.617 8.757 1.00 0.00 H new ATOM 987 N ILE A 67 -6.807 -4.915 4.639 1.00 0.00 N ATOM 988 CA ILE A 67 -6.804 -5.848 3.519 1.00 0.00 C ATOM 989 C ILE A 67 -7.157 -7.258 3.977 1.00 0.00 C ATOM 990 O ILE A 67 -6.311 -7.983 4.502 1.00 0.00 O ATOM 991 CB ILE A 67 -5.435 -5.876 2.814 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.068 -4.480 2.308 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.452 -6.874 1.665 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.578 -4.224 2.267 1.00 0.00 C ATOM 0 H ILE A 67 -5.880 -4.669 4.986 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.559 -5.498 2.815 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.679 -6.191 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.479 -4.345 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.539 -3.735 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.478 -6.883 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.673 -7.869 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.217 -6.586 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.392 -3.215 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.164 -4.326 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.103 -4.946 1.603 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.413 -7.644 3.774 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.879 -8.969 4.163 1.00 0.00 C ATOM 1008 C LYS A 68 -8.777 -9.946 2.996 1.00 0.00 C ATOM 1009 O LYS A 68 -8.248 -9.610 1.938 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.325 -8.899 4.659 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.538 -7.888 5.772 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.749 -8.239 6.620 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.556 -7.818 8.069 1.00 0.00 C ATOM 1014 NZ LYS A 68 -10.962 -8.910 8.889 1.00 0.00 N ATOM 0 H LYS A 68 -9.126 -7.057 3.342 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.242 -9.328 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.976 -8.647 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.627 -9.885 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.650 -7.848 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.669 -6.895 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.634 -7.750 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.928 -9.313 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.910 -6.941 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.517 -7.526 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.573 -9.100 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.879 -9.771 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.019 -8.622 9.219 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.289 -11.156 3.197 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.256 -12.182 2.160 1.00 0.00 C ATOM 1030 C ASN A 69 -7.819 -12.522 1.777 1.00 0.00 C ATOM 1031 O ASN A 69 -7.485 -12.615 0.595 1.00 0.00 O ATOM 1032 CB ASN A 69 -10.027 -11.712 0.925 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.315 -10.996 1.285 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.349 -11.627 1.503 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.256 -9.671 1.349 1.00 0.00 N ATOM 0 H ASN A 69 -9.731 -11.450 4.068 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.730 -13.080 2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.396 -11.045 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.256 -12.571 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.090 -9.134 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.377 -9.190 1.160 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.972 -12.707 2.784 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.570 -13.038 2.553 1.00 0.00 C ATOM 1044 C LEU A 70 -5.234 -14.412 3.124 1.00 0.00 C ATOM 1045 O LEU A 70 -6.025 -14.999 3.865 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.665 -11.977 3.182 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.967 -10.527 2.802 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.071 -9.574 3.578 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.795 -10.322 1.304 1.00 0.00 C ATOM 0 H LEU A 70 -7.231 -12.633 3.768 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.400 -13.060 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.730 -12.069 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.634 -12.197 2.905 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.003 -10.312 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.300 -8.547 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.243 -9.702 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.027 -9.789 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.014 -9.285 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.769 -10.556 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.479 -10.979 0.766 1.00 0.00 H new ATOM 1061 N LEU A 71 -4.057 -14.919 2.777 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.614 -16.224 3.257 1.00 0.00 C ATOM 1063 C LEU A 71 -2.640 -16.075 4.421 1.00 0.00 C ATOM 1064 O LEU A 71 -1.600 -15.429 4.295 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.954 -17.009 2.122 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.850 -17.350 0.931 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -3.054 -18.065 -0.149 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -5.031 -18.200 1.378 1.00 0.00 C ATOM 0 H LEU A 71 -3.392 -14.447 2.165 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.489 -16.771 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.102 -16.435 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.559 -17.939 2.532 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.235 -16.420 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.709 -18.300 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.243 -17.421 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.639 -18.988 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.658 -18.433 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.665 -19.126 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.616 -17.650 2.115 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.984 -16.678 5.555 1.00 0.00 N ATOM 1081 CA VAL A 72 -2.139 -16.615 6.741 1.00 0.00 C ATOM 1082 C VAL A 72 -0.725 -17.095 6.434 1.00 0.00 C ATOM 1083 O VAL A 72 -0.501 -17.820 5.466 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.719 -17.461 7.889 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -4.031 -16.868 8.380 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.910 -18.903 7.444 1.00 0.00 C ATOM 0 H VAL A 72 -3.842 -17.216 5.677 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.106 -15.571 7.051 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.011 -17.451 8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.426 -17.480 9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.860 -15.854 8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.749 -16.845 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.321 -19.487 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.597 -18.935 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.949 -19.322 7.146 1.00 0.00 H new ATOM 1096 N ASN A 73 0.227 -16.687 7.267 1.00 0.00 N ATOM 1097 CA ASN A 73 1.621 -17.076 7.085 1.00 0.00 C ATOM 1098 C ASN A 73 2.042 -16.924 5.627 1.00 0.00 C ATOM 1099 O ASN A 73 2.713 -17.793 5.069 1.00 0.00 O ATOM 1100 CB ASN A 73 1.832 -18.521 7.541 1.00 0.00 C ATOM 1101 CG ASN A 73 0.902 -19.491 6.839 1.00 0.00 C ATOM 1102 OD1 ASN A 73 1.023 -19.724 5.636 1.00 0.00 O ATOM 1103 ND2 ASN A 73 -0.033 -20.062 7.589 1.00 0.00 N ATOM 0 H ASN A 73 0.059 -16.087 8.075 1.00 0.00 H new ATOM 0 HA ASN A 73 2.239 -16.416 7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.865 -18.811 7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.675 -18.586 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.688 -20.723 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.096 -19.839 8.582 1.00 0.00 H new ATOM 1110 N THR A 74 1.643 -15.814 5.013 1.00 0.00 N ATOM 1111 CA THR A 74 1.978 -15.548 3.620 1.00 0.00 C ATOM 1112 C THR A 74 2.416 -14.101 3.426 1.00 0.00 C ATOM 1113 O THR A 74 1.759 -13.174 3.902 1.00 0.00 O ATOM 1114 CB THR A 74 0.786 -15.841 2.690 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.191 -17.096 3.036 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.228 -15.867 1.235 1.00 0.00 C ATOM 0 H THR A 74 1.087 -15.085 5.459 1.00 0.00 H new ATOM 0 HA THR A 74 2.803 -16.212 3.361 1.00 0.00 H new ATOM 0 HB THR A 74 0.052 -15.045 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.284 -17.009 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.369 -16.076 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.653 -14.900 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.980 -16.644 1.097 1.00 0.00 H new ATOM 1124 N LEU A 75 3.529 -13.913 2.725 1.00 0.00 N ATOM 1125 CA LEU A 75 4.054 -12.577 2.467 1.00 0.00 C ATOM 1126 C LEU A 75 3.161 -11.820 1.490 1.00 0.00 C ATOM 1127 O LEU A 75 2.944 -12.261 0.362 1.00 0.00 O ATOM 1128 CB LEU A 75 5.477 -12.666 1.912 1.00 0.00 C ATOM 1129 CG LEU A 75 6.262 -11.354 1.866 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.442 -10.264 1.194 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.672 -10.929 3.269 1.00 0.00 C ATOM 0 H LEU A 75 4.085 -14.669 2.325 1.00 0.00 H new ATOM 0 HA LEU A 75 4.072 -12.032 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.037 -13.380 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.427 -13.072 0.902 1.00 0.00 H new ATOM 0 HG LEU A 75 7.166 -11.514 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.017 -9.338 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.200 -10.567 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.520 -10.105 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.230 -9.994 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.781 -10.787 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.299 -11.701 3.714 1.00 0.00 H new ATOM 1143 N TYR A 76 2.648 -10.676 1.930 1.00 0.00 N ATOM 1144 CA TYR A 76 1.778 -9.857 1.095 1.00 0.00 C ATOM 1145 C TYR A 76 2.351 -8.454 0.923 1.00 0.00 C ATOM 1146 O TYR A 76 2.639 -7.763 1.901 1.00 0.00 O ATOM 1147 CB TYR A 76 0.377 -9.777 1.705 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.560 -10.857 1.215 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.337 -12.192 1.528 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.669 -10.543 0.439 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.190 -13.183 1.081 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -2.528 -11.526 -0.011 1.00 0.00 C ATOM 1153 CZ TYR A 76 -2.284 -12.845 0.312 1.00 0.00 C ATOM 1154 OH TYR A 76 -3.137 -13.828 -0.133 1.00 0.00 O ATOM 0 H TYR A 76 2.820 -10.295 2.860 1.00 0.00 H new ATOM 0 HA TYR A 76 1.713 -10.326 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.458 -9.843 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.054 -8.802 1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.518 -12.460 2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.863 -9.512 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.001 -14.216 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.386 -11.264 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.857 -13.423 -0.660 1.00 0.00 H new ATOM 1164 N THR A 77 2.515 -8.038 -0.329 1.00 0.00 N ATOM 1165 CA THR A 77 3.054 -6.718 -0.631 1.00 0.00 C ATOM 1166 C THR A 77 1.938 -5.695 -0.806 1.00 0.00 C ATOM 1167 O THR A 77 1.128 -5.796 -1.728 1.00 0.00 O ATOM 1168 CB THR A 77 3.917 -6.742 -1.907 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.906 -7.774 -1.810 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.598 -5.399 -2.126 1.00 0.00 C ATOM 0 H THR A 77 2.282 -8.596 -1.150 1.00 0.00 H new ATOM 0 HA THR A 77 3.677 -6.430 0.216 1.00 0.00 H new ATOM 0 HB THR A 77 3.264 -6.943 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.449 -7.784 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.202 -5.441 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.842 -4.620 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.239 -5.173 -1.274 1.00 0.00 H new ATOM 1178 N VAL A 78 1.900 -4.708 0.084 1.00 0.00 N ATOM 1179 CA VAL A 78 0.884 -3.664 0.026 1.00 0.00 C ATOM 1180 C VAL A 78 1.503 -2.311 -0.304 1.00 0.00 C ATOM 1181 O VAL A 78 2.660 -2.049 0.027 1.00 0.00 O ATOM 1182 CB VAL A 78 0.116 -3.555 1.357 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.053 -2.591 1.221 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.363 -4.926 1.810 1.00 0.00 C ATOM 0 H VAL A 78 2.562 -4.610 0.854 1.00 0.00 H new ATOM 0 HA VAL A 78 0.188 -3.943 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 78 0.793 -3.163 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.584 -2.527 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.681 -1.604 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.733 -2.951 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.903 -4.830 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.024 -5.349 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.495 -5.583 1.950 1.00 0.00 H new ATOM 1194 N ARG A 79 0.726 -1.454 -0.957 1.00 0.00 N ATOM 1195 CA ARG A 79 1.198 -0.127 -1.333 1.00 0.00 C ATOM 1196 C ARG A 79 0.043 0.868 -1.381 1.00 0.00 C ATOM 1197 O ARG A 79 -1.032 0.562 -1.898 1.00 0.00 O ATOM 1198 CB ARG A 79 1.900 -0.177 -2.691 1.00 0.00 C ATOM 1199 CG ARG A 79 1.052 -0.796 -3.791 1.00 0.00 C ATOM 1200 CD ARG A 79 1.829 -0.912 -5.094 1.00 0.00 C ATOM 1201 NE ARG A 79 1.153 -1.774 -6.059 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.720 -2.212 -7.177 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.968 -1.871 -7.469 1.00 0.00 N ATOM 1204 NH2 ARG A 79 1.040 -2.994 -8.006 1.00 0.00 N ATOM 0 H ARG A 79 -0.234 -1.655 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 79 1.909 0.205 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.179 0.835 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.824 -0.746 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.713 -1.784 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.161 -0.189 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.963 0.080 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.824 -1.308 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 79 0.192 -2.055 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.495 -1.271 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.401 -2.209 -8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.080 -3.259 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.477 -3.330 -8.864 1.00 0.00 H new ATOM 1218 N VAL A 80 0.272 2.060 -0.840 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.750 3.101 -0.822 1.00 0.00 C ATOM 1220 C VAL A 80 -0.400 4.231 -1.783 1.00 0.00 C ATOM 1221 O VAL A 80 0.767 4.593 -1.933 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.933 3.683 0.592 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.117 4.637 0.627 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.108 2.565 1.609 1.00 0.00 C ATOM 0 H VAL A 80 1.156 2.329 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.683 2.634 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.037 4.245 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.231 5.038 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.946 5.455 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.024 4.102 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.236 2.994 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.987 1.974 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.226 1.925 1.601 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.418 4.785 -2.433 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.219 5.876 -3.378 1.00 0.00 C ATOM 1236 C ALA A 81 -2.265 6.969 -3.184 1.00 0.00 C ATOM 1237 O ALA A 81 -3.447 6.683 -2.992 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.259 5.352 -4.806 1.00 0.00 C ATOM 0 H ALA A 81 -2.390 4.496 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.238 6.311 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.109 6.178 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.470 4.613 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.227 4.889 -4.997 1.00 0.00 H new ATOM 1244 N ALA A 82 -1.823 8.221 -3.235 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.722 9.356 -3.066 1.00 0.00 C ATOM 1246 C ALA A 82 -3.466 9.664 -4.361 1.00 0.00 C ATOM 1247 O ALA A 82 -2.852 9.869 -5.408 1.00 0.00 O ATOM 1248 CB ALA A 82 -1.946 10.578 -2.597 1.00 0.00 C ATOM 0 H ALA A 82 -0.848 8.475 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.460 9.094 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.630 11.418 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.465 10.360 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.187 10.833 -3.336 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.793 9.694 -4.282 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.621 9.978 -5.448 1.00 0.00 C ATOM 1256 C VAL A 83 -6.008 11.451 -5.502 1.00 0.00 C ATOM 1257 O VAL A 83 -6.269 12.075 -4.472 1.00 0.00 O ATOM 1258 CB VAL A 83 -6.901 9.121 -5.449 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -7.999 9.802 -6.252 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.612 7.732 -5.996 1.00 0.00 C ATOM 0 H VAL A 83 -5.317 9.525 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.026 9.730 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.248 9.016 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.895 9.182 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.224 10.773 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.665 9.940 -7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.528 7.141 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.240 7.813 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.861 7.245 -5.374 1.00 0.00 H new ATOM 1270 N THR A 84 -6.046 12.004 -6.711 1.00 0.00 N ATOM 1271 CA THR A 84 -6.401 13.405 -6.900 1.00 0.00 C ATOM 1272 C THR A 84 -7.489 13.559 -7.955 1.00 0.00 C ATOM 1273 O THR A 84 -7.764 12.631 -8.717 1.00 0.00 O ATOM 1274 CB THR A 84 -5.177 14.243 -7.315 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.439 13.561 -8.335 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.273 14.510 -6.120 1.00 0.00 C ATOM 0 H THR A 84 -5.835 11.502 -7.574 1.00 0.00 H new ATOM 0 HA THR A 84 -6.774 13.769 -5.942 1.00 0.00 H new ATOM 0 HB THR A 84 -5.533 15.198 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.663 14.101 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.416 15.103 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.829 15.055 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.926 13.563 -5.708 1.00 0.00 H new ATOM 1284 N SER A 85 -8.106 14.735 -7.996 1.00 0.00 N ATOM 1285 CA SER A 85 -9.168 15.009 -8.957 1.00 0.00 C ATOM 1286 C SER A 85 -8.898 14.301 -10.281 1.00 0.00 C ATOM 1287 O SER A 85 -9.821 13.833 -10.948 1.00 0.00 O ATOM 1288 CB SER A 85 -9.300 16.515 -9.188 1.00 0.00 C ATOM 1289 OG SER A 85 -8.053 17.088 -9.544 1.00 0.00 O ATOM 0 H SER A 85 -7.889 15.514 -7.375 1.00 0.00 H new ATOM 0 HA SER A 85 -10.103 14.629 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.028 16.703 -9.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.679 16.993 -8.284 1.00 0.00 H new ATOM 0 HG SER A 85 -8.165 18.051 -9.688 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.625 14.227 -10.656 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.232 13.579 -11.901 1.00 0.00 C ATOM 1297 C ARG A 86 -7.271 12.060 -11.759 1.00 0.00 C ATOM 1298 O ARG A 86 -8.059 11.384 -12.419 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.828 14.027 -12.313 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.247 13.225 -13.466 1.00 0.00 C ATOM 1301 CD ARG A 86 -3.767 13.519 -13.659 1.00 0.00 C ATOM 1302 NE ARG A 86 -3.303 13.137 -14.990 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.449 13.902 -16.066 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -4.043 15.083 -15.969 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -2.999 13.486 -17.244 1.00 0.00 N ATOM 0 H ARG A 86 -6.849 14.608 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.942 13.873 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.859 15.080 -12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.163 13.946 -11.453 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.386 12.161 -13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.788 13.459 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.585 14.582 -13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.190 12.983 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.842 12.234 -15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.390 15.407 -15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.153 15.668 -16.797 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.541 12.578 -17.323 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.112 14.074 -18.070 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.414 11.529 -10.891 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.367 10.095 -10.678 1.00 0.00 C ATOM 1321 C GLY A 87 -5.282 9.689 -9.700 1.00 0.00 C ATOM 1322 O GLY A 87 -4.810 10.509 -8.912 1.00 0.00 O ATOM 0 H GLY A 87 -5.752 12.067 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.333 9.754 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.198 9.595 -11.631 1.00 0.00 H new ATOM 1326 N ILE A 88 -4.888 8.421 -9.748 1.00 0.00 N ATOM 1327 CA ILE A 88 -3.853 7.909 -8.859 1.00 0.00 C ATOM 1328 C ILE A 88 -2.476 8.422 -9.266 1.00 0.00 C ATOM 1329 O ILE A 88 -2.170 8.538 -10.452 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.832 6.369 -8.847 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.173 5.823 -8.352 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.692 5.862 -7.977 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.391 4.363 -8.684 1.00 0.00 C ATOM 0 H ILE A 88 -5.270 7.729 -10.393 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.091 8.268 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.671 6.014 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.233 5.954 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.979 6.411 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.690 4.772 -7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.744 6.227 -8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.824 6.223 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.361 4.044 -8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.363 4.228 -9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.606 3.764 -8.223 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.646 8.726 -8.272 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.310 9.222 -8.546 1.00 0.00 C ATOM 1347 C GLY A 89 0.770 8.267 -8.077 1.00 0.00 C ATOM 1348 O GLY A 89 0.544 7.062 -7.982 1.00 0.00 O ATOM 0 H GLY A 89 -1.875 8.637 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.201 9.391 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.176 10.186 -8.056 1.00 0.00 H new ATOM 1352 N ASN A 90 1.948 8.807 -7.783 1.00 0.00 N ATOM 1353 CA ASN A 90 3.068 7.994 -7.323 1.00 0.00 C ATOM 1354 C ASN A 90 2.606 6.959 -6.302 1.00 0.00 C ATOM 1355 O ASN A 90 1.652 7.189 -5.559 1.00 0.00 O ATOM 1356 CB ASN A 90 4.152 8.883 -6.710 1.00 0.00 C ATOM 1357 CG ASN A 90 4.954 9.626 -7.761 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.411 9.036 -8.740 1.00 0.00 O ATOM 1359 ND2 ASN A 90 5.128 10.927 -7.562 1.00 0.00 N ATOM 0 H ASN A 90 2.152 9.804 -7.855 1.00 0.00 H new ATOM 0 HA ASN A 90 3.482 7.469 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.689 9.602 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.825 8.270 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.659 11.479 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.731 11.374 -6.736 1.00 0.00 H new ATOM 1366 N TRP A 91 3.289 5.821 -6.272 1.00 0.00 N ATOM 1367 CA TRP A 91 2.949 4.750 -5.342 1.00 0.00 C ATOM 1368 C TRP A 91 3.924 4.716 -4.170 1.00 0.00 C ATOM 1369 O TRP A 91 5.139 4.753 -4.361 1.00 0.00 O ATOM 1370 CB TRP A 91 2.951 3.401 -6.062 1.00 0.00 C ATOM 1371 CG TRP A 91 1.796 3.227 -7.001 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.797 3.439 -8.350 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.470 2.807 -6.660 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.552 3.176 -8.869 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.280 2.786 -7.853 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.156 2.445 -5.465 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.622 2.418 -7.881 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.489 2.080 -5.495 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.210 2.069 -6.696 1.00 0.00 C ATOM 0 H TRP A 91 4.081 5.616 -6.881 1.00 0.00 H new ATOM 0 HA TRP A 91 1.949 4.945 -4.953 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.882 3.296 -6.619 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.931 2.602 -5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.651 3.766 -8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.290 3.258 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.392 2.450 -4.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.180 2.408 -8.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.983 1.799 -4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.250 1.779 -6.686 1.00 0.00 H new ATOM 1390 N SER A 92 3.384 4.646 -2.958 1.00 0.00 N ATOM 1391 CA SER A 92 4.207 4.611 -1.755 1.00 0.00 C ATOM 1392 C SER A 92 5.107 3.379 -1.748 1.00 0.00 C ATOM 1393 O SER A 92 4.715 2.308 -2.211 1.00 0.00 O ATOM 1394 CB SER A 92 3.324 4.618 -0.506 1.00 0.00 C ATOM 1395 OG SER A 92 2.590 3.412 -0.394 1.00 0.00 O ATOM 0 H SER A 92 2.380 4.612 -2.783 1.00 0.00 H new ATOM 0 HA SER A 92 4.837 5.500 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.944 4.754 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.637 5.463 -0.547 1.00 0.00 H new ATOM 0 HG SER A 92 2.431 3.213 0.552 1.00 0.00 H new ATOM 1401 N ASP A 93 6.315 3.539 -1.220 1.00 0.00 N ATOM 1402 CA ASP A 93 7.271 2.440 -1.151 1.00 0.00 C ATOM 1403 C ASP A 93 6.602 1.169 -0.639 1.00 0.00 C ATOM 1404 O ASP A 93 6.424 0.990 0.566 1.00 0.00 O ATOM 1405 CB ASP A 93 8.445 2.814 -0.244 1.00 0.00 C ATOM 1406 CG ASP A 93 9.132 4.092 -0.683 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.298 4.287 -1.905 1.00 0.00 O ATOM 1408 OD2 ASP A 93 9.504 4.897 0.196 1.00 0.00 O ATOM 0 H ASP A 93 6.656 4.419 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 93 7.644 2.252 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.087 2.930 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.169 1.999 -0.238 1.00 0.00 H new ATOM 1413 N SER A 94 6.232 0.288 -1.564 1.00 0.00 N ATOM 1414 CA SER A 94 5.577 -0.965 -1.207 1.00 0.00 C ATOM 1415 C SER A 94 6.314 -1.657 -0.064 1.00 0.00 C ATOM 1416 O SER A 94 7.545 -1.704 -0.041 1.00 0.00 O ATOM 1417 CB SER A 94 5.510 -1.894 -2.421 1.00 0.00 C ATOM 1418 OG SER A 94 6.808 -2.210 -2.894 1.00 0.00 O ATOM 0 H SER A 94 6.375 0.419 -2.565 1.00 0.00 H new ATOM 0 HA SER A 94 4.564 -0.735 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.984 -2.810 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.936 -1.418 -3.216 1.00 0.00 H new ATOM 0 HG SER A 94 6.738 -2.806 -3.669 1.00 0.00 H new ATOM 1424 N LYS A 95 5.553 -2.193 0.884 1.00 0.00 N ATOM 1425 CA LYS A 95 6.131 -2.884 2.030 1.00 0.00 C ATOM 1426 C LYS A 95 5.637 -4.325 2.103 1.00 0.00 C ATOM 1427 O LYS A 95 4.443 -4.590 1.964 1.00 0.00 O ATOM 1428 CB LYS A 95 5.780 -2.148 3.325 1.00 0.00 C ATOM 1429 CG LYS A 95 6.375 -0.753 3.413 1.00 0.00 C ATOM 1430 CD LYS A 95 7.878 -0.801 3.634 1.00 0.00 C ATOM 1431 CE LYS A 95 8.527 0.545 3.349 1.00 0.00 C ATOM 1432 NZ LYS A 95 9.963 0.562 3.740 1.00 0.00 N ATOM 0 H LYS A 95 4.533 -2.162 0.881 1.00 0.00 H new ATOM 0 HA LYS A 95 7.214 -2.896 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.696 -2.077 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.129 -2.737 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.158 -0.206 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.903 -0.206 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.086 -1.096 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.317 -1.562 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.437 0.774 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.994 1.327 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.369 1.496 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.048 0.369 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.477 -0.167 3.205 1.00 0.00 H new ATOM 1446 N SER A 96 6.563 -5.253 2.323 1.00 0.00 N ATOM 1447 CA SER A 96 6.222 -6.668 2.411 1.00 0.00 C ATOM 1448 C SER A 96 6.072 -7.101 3.867 1.00 0.00 C ATOM 1449 O SER A 96 6.919 -6.794 4.706 1.00 0.00 O ATOM 1450 CB SER A 96 7.292 -7.517 1.722 1.00 0.00 C ATOM 1451 OG SER A 96 8.582 -6.962 1.910 1.00 0.00 O ATOM 0 H SER A 96 7.555 -5.050 2.444 1.00 0.00 H new ATOM 0 HA SER A 96 5.268 -6.818 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.268 -8.532 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.075 -7.587 0.656 1.00 0.00 H new ATOM 0 HG SER A 96 9.248 -7.524 1.462 1.00 0.00 H new ATOM 1457 N ILE A 97 4.990 -7.815 4.157 1.00 0.00 N ATOM 1458 CA ILE A 97 4.730 -8.291 5.510 1.00 0.00 C ATOM 1459 C ILE A 97 4.256 -9.740 5.501 1.00 0.00 C ATOM 1460 O ILE A 97 3.610 -10.189 4.553 1.00 0.00 O ATOM 1461 CB ILE A 97 3.674 -7.422 6.219 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.663 -7.718 7.720 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.299 -7.661 5.615 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.916 -6.686 8.534 1.00 0.00 C ATOM 0 H ILE A 97 4.279 -8.077 3.474 1.00 0.00 H new ATOM 0 HA ILE A 97 5.671 -8.222 6.055 1.00 0.00 H new ATOM 0 HB ILE A 97 3.933 -6.373 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.211 -8.696 7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.691 -7.777 8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.564 -7.040 6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.317 -7.404 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.029 -8.711 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.950 -6.960 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.381 -5.709 8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.878 -6.643 8.203 1.00 0.00 H new ATOM 1476 N THR A 98 4.579 -10.469 6.564 1.00 0.00 N ATOM 1477 CA THR A 98 4.186 -11.868 6.680 1.00 0.00 C ATOM 1478 C THR A 98 3.006 -12.031 7.630 1.00 0.00 C ATOM 1479 O THR A 98 3.135 -11.830 8.839 1.00 0.00 O ATOM 1480 CB THR A 98 5.355 -12.740 7.176 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.512 -12.519 6.363 1.00 0.00 O ATOM 1482 CG2 THR A 98 4.981 -14.215 7.145 1.00 0.00 C ATOM 0 H THR A 98 5.112 -10.114 7.358 1.00 0.00 H new ATOM 0 HA THR A 98 3.894 -12.198 5.683 1.00 0.00 H new ATOM 0 HB THR A 98 5.577 -12.459 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.250 -13.076 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.822 -14.811 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.118 -14.385 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.735 -14.506 6.124 1.00 0.00 H new ATOM 1490 N THR A 99 1.853 -12.397 7.078 1.00 0.00 N ATOM 1491 CA THR A 99 0.649 -12.586 7.877 1.00 0.00 C ATOM 1492 C THR A 99 0.876 -13.616 8.978 1.00 0.00 C ATOM 1493 O THR A 99 1.856 -14.361 8.951 1.00 0.00 O ATOM 1494 CB THR A 99 -0.538 -13.037 7.005 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.264 -14.318 6.427 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.814 -12.026 5.902 1.00 0.00 C ATOM 0 H THR A 99 1.728 -12.568 6.080 1.00 0.00 H new ATOM 0 HA THR A 99 0.414 -11.622 8.328 1.00 0.00 H new ATOM 0 HB THR A 99 -1.420 -13.108 7.641 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.880 -14.479 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.656 -12.366 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.052 -11.059 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.068 -11.928 5.270 1.00 0.00 H new ATOM 1504 N ILE A 100 -0.036 -13.653 9.944 1.00 0.00 N ATOM 1505 CA ILE A 100 0.065 -14.594 11.053 1.00 0.00 C ATOM 1506 C ILE A 100 -1.160 -15.499 11.119 1.00 0.00 C ATOM 1507 O ILE A 100 -2.256 -15.111 10.713 1.00 0.00 O ATOM 1508 CB ILE A 100 0.222 -13.862 12.399 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -1.017 -13.012 12.690 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.474 -12.998 12.389 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -1.026 -12.414 14.079 1.00 0.00 C ATOM 0 H ILE A 100 -0.852 -13.043 9.981 1.00 0.00 H new ATOM 0 HA ILE A 100 0.952 -15.201 10.873 1.00 0.00 H new ATOM 0 HB ILE A 100 0.323 -14.605 13.190 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.077 -12.208 11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.908 -13.627 12.562 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.571 -12.487 13.347 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.349 -13.627 12.223 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.400 -12.260 11.590 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.933 -11.825 14.216 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.998 -13.213 14.819 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.154 -11.772 14.205 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.968 -16.709 11.634 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.058 -17.670 11.758 1.00 0.00 C ATOM 1525 C LYS A 101 -2.539 -17.764 13.202 1.00 0.00 C ATOM 1526 O LYS A 101 -2.226 -18.721 13.909 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.607 -19.048 11.268 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.733 -19.886 10.688 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.405 -20.733 11.755 1.00 0.00 C ATOM 1530 CE LYS A 101 -2.571 -21.957 12.102 1.00 0.00 C ATOM 1531 NZ LYS A 101 -3.007 -22.580 13.382 1.00 0.00 N ATOM 0 H LYS A 101 -0.067 -17.048 11.972 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.887 -17.324 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.834 -18.920 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.153 -19.589 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.471 -19.233 10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.340 -20.532 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.563 -20.133 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.388 -21.048 11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.647 -22.688 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.521 -21.672 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.414 -23.411 13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.910 -21.890 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.001 -22.875 13.304 1.00 0.00 H new ATOM 1545 N GLY A 102 -3.304 -16.766 13.633 1.00 0.00 N ATOM 1546 CA GLY A 102 -3.817 -16.757 14.990 1.00 0.00 C ATOM 1547 C GLY A 102 -2.789 -17.221 16.002 1.00 0.00 C ATOM 1548 O GLY A 102 -2.865 -18.342 16.505 1.00 0.00 O ATOM 0 H GLY A 102 -3.578 -15.963 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.144 -15.749 15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.695 -17.401 15.047 1.00 0.00 H new ATOM 1552 N SER A 103 -1.822 -16.359 16.300 1.00 0.00 N ATOM 1553 CA SER A 103 -0.771 -16.689 17.255 1.00 0.00 C ATOM 1554 C SER A 103 -1.172 -16.279 18.669 1.00 0.00 C ATOM 1555 O SER A 103 -2.101 -15.496 18.860 1.00 0.00 O ATOM 1556 CB SER A 103 0.538 -15.999 16.863 1.00 0.00 C ATOM 1557 OG SER A 103 0.877 -16.277 15.516 1.00 0.00 O ATOM 0 H SER A 103 -1.745 -15.427 15.894 1.00 0.00 H new ATOM 0 HA SER A 103 -0.624 -17.769 17.237 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.441 -14.922 17.002 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.341 -16.334 17.520 1.00 0.00 H new ATOM 0 HG SER A 103 1.716 -15.824 15.290 1.00 0.00 H new ATOM 1563 N GLY A 104 -0.462 -16.815 19.657 1.00 0.00 N ATOM 1564 CA GLY A 104 -0.758 -16.494 21.041 1.00 0.00 C ATOM 1565 C GLY A 104 -2.089 -17.059 21.496 1.00 0.00 C ATOM 1566 O GLY A 104 -3.113 -16.374 21.492 1.00 0.00 O ATOM 0 H GLY A 104 0.312 -17.465 19.524 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.036 -16.884 21.679 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.765 -15.411 21.166 1.00 0.00 H new ATOM 1570 N PRO A 105 -2.087 -18.339 21.898 1.00 0.00 N ATOM 1571 CA PRO A 105 -3.296 -19.024 22.363 1.00 0.00 C ATOM 1572 C PRO A 105 -3.777 -18.499 23.712 1.00 0.00 C ATOM 1573 O PRO A 105 -3.426 -19.040 24.760 1.00 0.00 O ATOM 1574 CB PRO A 105 -2.851 -20.484 22.485 1.00 0.00 C ATOM 1575 CG PRO A 105 -1.379 -20.414 22.701 1.00 0.00 C ATOM 1576 CD PRO A 105 -0.904 -19.214 21.929 1.00 0.00 C ATOM 0 HA PRO A 105 -4.136 -18.875 21.684 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.350 -20.982 23.316 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.093 -21.048 21.584 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.144 -20.314 23.761 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.889 -21.323 22.350 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.059 -18.730 22.418 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.578 -19.485 20.925 1.00 0.00 H new ATOM 1584 N SER A 106 -4.583 -17.443 23.677 1.00 0.00 N ATOM 1585 CA SER A 106 -5.110 -16.843 24.897 1.00 0.00 C ATOM 1586 C SER A 106 -4.042 -16.801 25.987 1.00 0.00 C ATOM 1587 O SER A 106 -4.325 -17.055 27.158 1.00 0.00 O ATOM 1588 CB SER A 106 -6.328 -17.626 25.391 1.00 0.00 C ATOM 1589 OG SER A 106 -7.425 -17.472 24.507 1.00 0.00 O ATOM 0 H SER A 106 -4.885 -16.985 22.817 1.00 0.00 H new ATOM 0 HA SER A 106 -5.412 -15.821 24.669 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.074 -18.682 25.480 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.607 -17.280 26.386 1.00 0.00 H new ATOM 0 HG SER A 106 -8.190 -17.983 24.843 1.00 0.00 H new ATOM 1595 N SER A 107 -2.815 -16.479 25.591 1.00 0.00 N ATOM 1596 CA SER A 107 -1.703 -16.408 26.532 1.00 0.00 C ATOM 1597 C SER A 107 -1.045 -15.032 26.492 1.00 0.00 C ATOM 1598 O SER A 107 -0.436 -14.651 25.494 1.00 0.00 O ATOM 1599 CB SER A 107 -0.669 -17.489 26.216 1.00 0.00 C ATOM 1600 OG SER A 107 0.419 -17.436 27.123 1.00 0.00 O ATOM 0 H SER A 107 -2.566 -16.263 24.626 1.00 0.00 H new ATOM 0 HA SER A 107 -2.097 -16.575 27.535 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.139 -18.471 26.264 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.304 -17.360 25.197 1.00 0.00 H new ATOM 0 HG SER A 107 1.065 -18.138 26.900 1.00 0.00 H new ATOM 1606 N GLY A 108 -1.175 -14.289 27.588 1.00 0.00 N ATOM 1607 CA GLY A 108 -0.589 -12.963 27.658 1.00 0.00 C ATOM 1608 C GLY A 108 0.927 -12.996 27.626 1.00 0.00 C ATOM 1609 O GLY A 108 1.571 -13.224 28.650 1.00 0.00 O ATOM 0 H GLY A 108 -1.675 -14.582 28.427 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.954 -12.363 26.824 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.919 -12.471 28.573 1.00 0.00 H new TER 1613 GLY A 108