USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 904 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 21 TYR OH : rot 51:sc= 2.1 USER MOD Set 1.2: A 123 SER OG : rot 92:sc= 1.22 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.781 K(o=-4.3,f=-8.2!) USER MOD Set 2.2: A 102 ASN : amide:sc= -4.88! C(o=-4.3!,f=-12!) USER MOD Set 2.3: A 103 ASN : amide:sc= -0.154 K(o=-4.3,f=-5.8) USER MOD Set 2.4: A 108 SER OG : rot 117:sc= -0.0431 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 78 ASN : amide:sc= 0.944 K(o=2.2,f=-5.8!) USER MOD Set 4.1: A 53 THR OG1 : rot -170:sc= 0.537 USER MOD Set 4.2: A 109 ASN : amide:sc= -0.215 K(o=0.32,f=-7.2!) USER MOD Set 5.1: A 22 THR OG1 : rot -67:sc= 1.25 USER MOD Set 5.2: A 111 SER OG : rot -77:sc= 2.3 USER MOD Single : A 17 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.22) USER MOD Single : A 20 THR OG1 : rot 170:sc=-0.00541 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 26 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.64! C(o=-4.6!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 1.31 (180deg=1.05) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.172! C(o=-0.17!,f=-5.9!) USER MOD Single : A 52 SER OG : rot 170:sc= -0.0931 USER MOD Single : A 54 ASN : amide:sc= 0.34 K(o=0.34,f=-1.9) USER MOD Single : A 59 MET CE :methyl 135:sc= -1.68 (180deg=-3.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 66 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 70 ASN : amide:sc= -0.011 K(o=-0.011,f=-0.67) USER MOD Single : A 82 LYS NZ :NH3+ 135:sc= 1.25 (180deg=0.54) USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 1.29 (180deg=0.758) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0696 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= 0.84 (180deg=-0.54!) USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.16) USER MOD Single : A 104 SER OG : rot 57:sc= 0.652 USER MOD Single : A 105 SER OG : rot 96:sc= 1.38 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 117 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.48) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 128 LYS NZ :NH3+ 147:sc= 1.13 (180deg=-0.741!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 14 -4.317 -20.007 -1.600 1.00 0.00 N ATOM 2 CA ARG A 14 -5.105 -19.067 -2.388 1.00 0.00 C ATOM 3 C ARG A 14 -5.402 -17.816 -1.577 1.00 0.00 C ATOM 4 O ARG A 14 -6.083 -17.880 -0.553 1.00 0.00 O ATOM 5 CB ARG A 14 -6.419 -19.718 -2.830 1.00 0.00 C ATOM 6 CG ARG A 14 -6.407 -20.218 -4.264 1.00 0.00 C ATOM 7 CD ARG A 14 -5.191 -21.084 -4.546 1.00 0.00 C ATOM 8 NE ARG A 14 -5.438 -22.492 -4.253 1.00 0.00 N ATOM 9 CZ ARG A 14 -5.471 -23.449 -5.179 1.00 0.00 C ATOM 10 NH1 ARG A 14 -5.322 -23.144 -6.462 1.00 0.00 N ATOM 11 NH2 ARG A 14 -5.666 -24.712 -4.828 1.00 0.00 N ATOM 0 HA ARG A 14 -4.529 -18.790 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.640 -20.554 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.228 -18.996 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.314 -20.790 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.415 -19.368 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.905 -20.977 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.350 -20.732 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.595 -22.759 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.181 -22.173 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.348 -23.880 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.792 -24.955 -3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.691 -25.441 -5.541 1.00 0.00 H new ATOM 25 N ILE A 15 -4.880 -16.683 -2.020 1.00 0.00 N ATOM 26 CA ILE A 15 -5.137 -15.431 -1.331 1.00 0.00 C ATOM 27 C ILE A 15 -6.430 -14.797 -1.847 1.00 0.00 C ATOM 28 O ILE A 15 -6.621 -14.636 -3.056 1.00 0.00 O ATOM 29 CB ILE A 15 -3.956 -14.433 -1.444 1.00 0.00 C ATOM 30 CG1 ILE A 15 -3.684 -14.038 -2.898 1.00 0.00 C ATOM 31 CG2 ILE A 15 -2.702 -15.027 -0.816 1.00 0.00 C ATOM 32 CD1 ILE A 15 -3.092 -12.651 -3.042 1.00 0.00 C ATOM 0 H ILE A 15 -4.283 -16.605 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.249 -15.665 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.235 -13.529 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.003 -14.764 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.616 -14.088 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.880 -14.316 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.888 -15.241 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.439 -15.950 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.924 -12.435 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.781 -11.916 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.144 -12.603 -2.506 1.00 0.00 H new ATOM 44 N PRO A 16 -7.354 -14.472 -0.932 1.00 0.00 N ATOM 45 CA PRO A 16 -8.664 -13.930 -1.275 1.00 0.00 C ATOM 46 C PRO A 16 -8.639 -12.423 -1.544 1.00 0.00 C ATOM 47 O PRO A 16 -8.003 -11.960 -2.489 1.00 0.00 O ATOM 48 CB PRO A 16 -9.523 -14.247 -0.037 1.00 0.00 C ATOM 49 CG PRO A 16 -8.620 -14.948 0.934 1.00 0.00 C ATOM 50 CD PRO A 16 -7.214 -14.640 0.511 1.00 0.00 C ATOM 0 HA PRO A 16 -9.045 -14.365 -2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.929 -13.334 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.371 -14.877 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.803 -14.603 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.801 -16.023 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.833 -13.738 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.527 -15.449 0.762 1.00 0.00 H new ATOM 58 N ASN A 17 -9.317 -11.661 -0.691 1.00 0.00 N ATOM 59 CA ASN A 17 -9.517 -10.228 -0.914 1.00 0.00 C ATOM 60 C ASN A 17 -8.368 -9.391 -0.353 1.00 0.00 C ATOM 61 O ASN A 17 -8.507 -8.183 -0.140 1.00 0.00 O ATOM 62 CB ASN A 17 -10.846 -9.781 -0.289 1.00 0.00 C ATOM 63 CG ASN A 17 -10.935 -10.082 1.200 1.00 0.00 C ATOM 64 OD1 ASN A 17 -10.391 -9.355 2.030 1.00 0.00 O ATOM 65 ND2 ASN A 17 -11.628 -11.156 1.553 1.00 0.00 N ATOM 0 H ASN A 17 -9.741 -12.013 0.168 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.543 -10.065 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.972 -8.710 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.668 -10.278 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.722 -11.401 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.067 -11.737 0.839 1.00 0.00 H new ATOM 72 N ILE A 18 -7.230 -10.024 -0.125 1.00 0.00 N ATOM 73 CA ILE A 18 -6.066 -9.316 0.386 1.00 0.00 C ATOM 74 C ILE A 18 -5.044 -9.112 -0.719 1.00 0.00 C ATOM 75 O ILE A 18 -4.421 -10.064 -1.185 1.00 0.00 O ATOM 76 CB ILE A 18 -5.396 -10.054 1.569 1.00 0.00 C ATOM 77 CG1 ILE A 18 -5.616 -11.567 1.468 1.00 0.00 C ATOM 78 CG2 ILE A 18 -5.927 -9.519 2.891 1.00 0.00 C ATOM 79 CD1 ILE A 18 -4.362 -12.374 1.726 1.00 0.00 C ATOM 0 H ILE A 18 -7.086 -11.021 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.422 -8.352 0.751 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.323 -9.870 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.384 -11.864 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.995 -11.806 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.448 -10.046 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.709 -8.454 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.005 -9.673 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.589 -13.437 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.599 -12.104 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.994 -12.163 2.730 1.00 0.00 H new ATOM 91 N ALA A 19 -4.887 -7.871 -1.146 1.00 0.00 N ATOM 92 CA ALA A 19 -3.913 -7.540 -2.170 1.00 0.00 C ATOM 93 C ALA A 19 -2.515 -7.605 -1.577 1.00 0.00 C ATOM 94 O ALA A 19 -2.057 -6.657 -0.942 1.00 0.00 O ATOM 95 CB ALA A 19 -4.189 -6.162 -2.749 1.00 0.00 C ATOM 0 H ALA A 19 -5.423 -7.075 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.989 -8.263 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.447 -5.934 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.185 -6.146 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.133 -5.416 -1.956 1.00 0.00 H new ATOM 101 N THR A 20 -1.863 -8.743 -1.757 1.00 0.00 N ATOM 102 CA THR A 20 -0.552 -8.981 -1.178 1.00 0.00 C ATOM 103 C THR A 20 0.542 -8.802 -2.219 1.00 0.00 C ATOM 104 O THR A 20 0.633 -9.576 -3.173 1.00 0.00 O ATOM 105 CB THR A 20 -0.465 -10.406 -0.609 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.780 -10.891 -0.309 1.00 0.00 O ATOM 107 CG2 THR A 20 0.393 -10.452 0.642 1.00 0.00 C ATOM 0 H THR A 20 -2.226 -9.523 -2.305 1.00 0.00 H new ATOM 0 HA THR A 20 -0.410 -8.255 -0.377 1.00 0.00 H new ATOM 0 HB THR A 20 -0.000 -11.041 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.736 -11.848 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.433 -11.474 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.401 -10.113 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.038 -9.802 1.403 1.00 0.00 H new ATOM 115 N TYR A 21 1.361 -7.778 -2.051 1.00 0.00 N ATOM 116 CA TYR A 21 2.470 -7.557 -2.946 1.00 0.00 C ATOM 117 C TYR A 21 3.764 -7.916 -2.242 1.00 0.00 C ATOM 118 O TYR A 21 4.505 -7.047 -1.785 1.00 0.00 O ATOM 119 CB TYR A 21 2.484 -6.106 -3.425 1.00 0.00 C ATOM 120 CG TYR A 21 1.328 -5.780 -4.342 1.00 0.00 C ATOM 121 CD1 TYR A 21 1.390 -6.078 -5.695 1.00 0.00 C ATOM 122 CD2 TYR A 21 0.170 -5.190 -3.850 1.00 0.00 C ATOM 123 CE1 TYR A 21 0.330 -5.800 -6.535 1.00 0.00 C ATOM 124 CE2 TYR A 21 -0.893 -4.907 -4.683 1.00 0.00 C ATOM 125 CZ TYR A 21 -0.810 -5.213 -6.023 1.00 0.00 C ATOM 126 OH TYR A 21 -1.871 -4.944 -6.854 1.00 0.00 O ATOM 0 H TYR A 21 1.274 -7.091 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 21 2.363 -8.194 -3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.454 -5.443 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.421 -5.909 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.282 -6.535 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.101 -4.949 -2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.392 -6.040 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.786 -4.448 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.097 -5.748 -7.367 1.00 0.00 H new ATOM 136 N THR A 22 4.013 -9.211 -2.151 1.00 0.00 N ATOM 137 CA THR A 22 5.233 -9.727 -1.554 1.00 0.00 C ATOM 138 C THR A 22 6.319 -9.848 -2.618 1.00 0.00 C ATOM 139 O THR A 22 7.005 -10.867 -2.726 1.00 0.00 O ATOM 140 CB THR A 22 4.983 -11.101 -0.902 1.00 0.00 C ATOM 141 OG1 THR A 22 3.685 -11.120 -0.291 1.00 0.00 O ATOM 142 CG2 THR A 22 6.047 -11.419 0.143 1.00 0.00 C ATOM 0 H THR A 22 3.377 -9.933 -2.488 1.00 0.00 H new ATOM 0 HA THR A 22 5.560 -9.032 -0.780 1.00 0.00 H new ATOM 0 HB THR A 22 5.034 -11.860 -1.682 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.671 -10.499 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.843 -12.394 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.029 -11.433 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.031 -10.657 0.922 1.00 0.00 H new ATOM 150 N GLY A 23 6.463 -8.797 -3.404 1.00 0.00 N ATOM 151 CA GLY A 23 7.424 -8.804 -4.478 1.00 0.00 C ATOM 152 C GLY A 23 8.788 -8.363 -4.014 1.00 0.00 C ATOM 153 O GLY A 23 8.913 -7.573 -3.075 1.00 0.00 O ATOM 0 H GLY A 23 5.927 -7.934 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.491 -9.807 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.081 -8.145 -5.276 1.00 0.00 H new ATOM 157 N THR A 24 9.817 -8.875 -4.649 1.00 0.00 N ATOM 158 CA THR A 24 11.163 -8.479 -4.314 1.00 0.00 C ATOM 159 C THR A 24 11.517 -7.188 -5.032 1.00 0.00 C ATOM 160 O THR A 24 11.308 -7.060 -6.239 1.00 0.00 O ATOM 161 CB THR A 24 12.175 -9.572 -4.692 1.00 0.00 C ATOM 162 OG1 THR A 24 11.477 -10.752 -5.120 1.00 0.00 O ATOM 163 CG2 THR A 24 13.078 -9.911 -3.519 1.00 0.00 C ATOM 0 H THR A 24 9.747 -9.564 -5.398 1.00 0.00 H new ATOM 0 HA THR A 24 11.210 -8.325 -3.236 1.00 0.00 H new ATOM 0 HB THR A 24 12.796 -9.195 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.125 -11.446 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.784 -10.687 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.626 -9.020 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.473 -10.270 -2.686 1.00 0.00 H new ATOM 171 N ILE A 25 12.060 -6.243 -4.293 1.00 0.00 N ATOM 172 CA ILE A 25 12.334 -4.931 -4.829 1.00 0.00 C ATOM 173 C ILE A 25 13.832 -4.627 -4.766 1.00 0.00 C ATOM 174 O ILE A 25 14.497 -4.890 -3.761 1.00 0.00 O ATOM 175 CB ILE A 25 11.510 -3.857 -4.084 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.706 -2.488 -4.727 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.863 -3.830 -2.608 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.099 -2.377 -6.110 1.00 0.00 C ATOM 0 H ILE A 25 12.321 -6.363 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 25 12.034 -4.913 -5.877 1.00 0.00 H new ATOM 0 HB ILE A 25 10.455 -4.117 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.265 -1.727 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.773 -2.274 -4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.270 -3.066 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.651 -4.803 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.922 -3.601 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.277 -1.377 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.557 -3.115 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.026 -2.559 -6.052 1.00 0.00 H new ATOM 190 N GLN A 26 14.358 -4.099 -5.861 1.00 0.00 N ATOM 191 CA GLN A 26 15.786 -3.826 -5.979 1.00 0.00 C ATOM 192 C GLN A 26 16.187 -2.631 -5.120 1.00 0.00 C ATOM 193 O GLN A 26 15.330 -1.968 -4.523 1.00 0.00 O ATOM 194 CB GLN A 26 16.151 -3.562 -7.444 1.00 0.00 C ATOM 195 CG GLN A 26 16.564 -4.813 -8.212 1.00 0.00 C ATOM 196 CD GLN A 26 15.517 -5.910 -8.160 1.00 0.00 C ATOM 197 OE1 GLN A 26 15.707 -6.934 -7.502 1.00 0.00 O ATOM 198 NE2 GLN A 26 14.411 -5.714 -8.860 1.00 0.00 N ATOM 0 H GLN A 26 13.814 -3.849 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 26 16.330 -4.701 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.297 -3.105 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.966 -2.839 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.754 -4.548 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.501 -5.192 -7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.290 -4.852 -9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.679 -6.424 -8.867 1.00 0.00 H new ATOM 207 N GLY A 27 17.491 -2.379 -5.045 1.00 0.00 N ATOM 208 CA GLY A 27 17.994 -1.215 -4.340 1.00 0.00 C ATOM 209 C GLY A 27 17.358 0.058 -4.851 1.00 0.00 C ATOM 210 O GLY A 27 17.137 0.198 -6.057 1.00 0.00 O ATOM 0 H GLY A 27 18.212 -2.966 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.795 -1.320 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 27 19.076 -1.156 -4.458 1.00 0.00 H new ATOM 214 N LYS A 28 17.060 0.976 -3.937 1.00 0.00 N ATOM 215 CA LYS A 28 16.300 2.174 -4.258 1.00 0.00 C ATOM 216 C LYS A 28 14.927 1.747 -4.735 1.00 0.00 C ATOM 217 O LYS A 28 14.511 2.051 -5.857 1.00 0.00 O ATOM 218 CB LYS A 28 17.008 3.028 -5.317 1.00 0.00 C ATOM 219 CG LYS A 28 17.654 4.283 -4.756 1.00 0.00 C ATOM 220 CD LYS A 28 19.158 4.277 -4.959 1.00 0.00 C ATOM 221 CE LYS A 28 19.531 4.732 -6.360 1.00 0.00 C ATOM 222 NZ LYS A 28 19.961 6.155 -6.386 1.00 0.00 N ATOM 0 H LYS A 28 17.338 0.909 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 28 16.212 2.797 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.772 2.424 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.287 3.312 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.225 5.161 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.430 4.363 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.628 4.932 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.546 3.273 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.334 4.103 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.677 4.599 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.207 6.426 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.186 6.758 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.792 6.278 -5.773 1.00 0.00 H new ATOM 236 N GLY A 29 14.257 0.999 -3.868 1.00 0.00 N ATOM 237 CA GLY A 29 12.976 0.417 -4.199 1.00 0.00 C ATOM 238 C GLY A 29 11.959 1.454 -4.578 1.00 0.00 C ATOM 239 O GLY A 29 11.984 2.570 -4.061 1.00 0.00 O ATOM 0 H GLY A 29 14.587 0.784 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.101 -0.285 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.608 -0.155 -3.347 1.00 0.00 H new ATOM 243 N GLU A 30 11.042 1.073 -5.440 1.00 0.00 N ATOM 244 CA GLU A 30 10.161 2.027 -6.057 1.00 0.00 C ATOM 245 C GLU A 30 8.788 1.983 -5.433 1.00 0.00 C ATOM 246 O GLU A 30 8.272 0.922 -5.076 1.00 0.00 O ATOM 247 CB GLU A 30 10.153 1.794 -7.548 1.00 0.00 C ATOM 248 CG GLU A 30 11.555 1.931 -8.109 1.00 0.00 C ATOM 249 CD GLU A 30 11.737 1.298 -9.466 1.00 0.00 C ATOM 250 OE1 GLU A 30 11.463 0.091 -9.605 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.195 1.995 -10.393 1.00 0.00 O ATOM 0 H GLU A 30 10.891 0.106 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 30 10.523 3.040 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.762 0.800 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.489 2.510 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.807 2.989 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.260 1.480 -7.411 1.00 0.00 H new ATOM 258 N VAL A 31 8.198 3.160 -5.345 1.00 0.00 N ATOM 259 CA VAL A 31 7.333 3.484 -4.238 1.00 0.00 C ATOM 260 C VAL A 31 5.899 3.737 -4.651 1.00 0.00 C ATOM 261 O VAL A 31 5.396 4.816 -4.437 1.00 0.00 O ATOM 262 CB VAL A 31 7.957 4.799 -3.678 1.00 0.00 C ATOM 263 CG1 VAL A 31 7.572 5.114 -2.259 1.00 0.00 C ATOM 264 CG2 VAL A 31 9.465 4.703 -3.776 1.00 0.00 C ATOM 0 H VAL A 31 8.306 3.907 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 31 7.278 2.662 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 31 7.560 5.613 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.050 6.044 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.489 5.222 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.897 4.305 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.914 5.617 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.814 3.851 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.754 4.572 -4.819 1.00 0.00 H new ATOM 274 N CYS A 32 5.178 2.673 -4.995 1.00 0.00 N ATOM 275 CA CYS A 32 3.814 2.834 -5.491 1.00 0.00 C ATOM 276 C CYS A 32 2.948 1.592 -5.301 1.00 0.00 C ATOM 277 O CYS A 32 3.241 0.545 -5.870 1.00 0.00 O ATOM 278 CB CYS A 32 3.833 3.225 -6.972 1.00 0.00 C ATOM 279 SG CYS A 32 5.327 2.701 -7.873 1.00 0.00 S ATOM 0 H CYS A 32 5.506 1.709 -4.941 1.00 0.00 H new ATOM 0 HA CYS A 32 3.364 3.628 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.959 2.793 -7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.738 4.308 -7.050 1.00 0.00 H new ATOM 284 N ILE A 33 1.881 1.709 -4.523 1.00 0.00 N ATOM 285 CA ILE A 33 0.808 0.717 -4.546 1.00 0.00 C ATOM 286 C ILE A 33 -0.543 1.423 -4.491 1.00 0.00 C ATOM 287 O ILE A 33 -0.989 1.869 -3.431 1.00 0.00 O ATOM 288 CB ILE A 33 0.888 -0.317 -3.397 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.207 -1.094 -3.453 1.00 0.00 C ATOM 290 CG2 ILE A 33 -0.292 -1.283 -3.478 1.00 0.00 C ATOM 291 CD1 ILE A 33 2.243 -2.180 -4.511 1.00 0.00 C ATOM 0 H ILE A 33 1.733 2.477 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 33 0.925 0.162 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 33 0.846 0.220 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.021 -0.393 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.392 -1.545 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.226 -2.006 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.225 -0.726 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.268 -1.807 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.210 -2.682 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.453 -2.905 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.092 -1.735 -5.494 1.00 0.00 H new ATOM 303 N ILE A 34 -1.180 1.550 -5.644 1.00 0.00 N ATOM 304 CA ILE A 34 -2.460 2.239 -5.734 1.00 0.00 C ATOM 305 C ILE A 34 -3.613 1.248 -5.628 1.00 0.00 C ATOM 306 O ILE A 34 -4.200 0.855 -6.636 1.00 0.00 O ATOM 307 CB ILE A 34 -2.594 3.034 -7.052 1.00 0.00 C ATOM 308 CG1 ILE A 34 -1.216 3.452 -7.577 1.00 0.00 C ATOM 309 CG2 ILE A 34 -3.478 4.255 -6.840 1.00 0.00 C ATOM 310 CD1 ILE A 34 -1.079 3.329 -9.078 1.00 0.00 C ATOM 0 H ILE A 34 -0.833 1.186 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.501 2.941 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.059 2.390 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.023 4.485 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.452 2.838 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.565 4.808 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.468 3.935 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.035 4.897 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.079 3.641 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.240 2.292 -9.374 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.819 3.964 -9.564 1.00 0.00 H new ATOM 322 N GLY A 35 -3.919 0.839 -4.403 1.00 0.00 N ATOM 323 CA GLY A 35 -4.992 -0.114 -4.185 1.00 0.00 C ATOM 324 C GLY A 35 -6.280 0.546 -3.735 1.00 0.00 C ATOM 325 O GLY A 35 -7.306 -0.117 -3.580 1.00 0.00 O ATOM 0 H GLY A 35 -3.443 1.150 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.175 -0.666 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.680 -0.841 -3.435 1.00 0.00 H new ATOM 329 N ASN A 36 -6.234 1.855 -3.522 1.00 0.00 N ATOM 330 CA ASN A 36 -7.415 2.590 -3.085 1.00 0.00 C ATOM 331 C ASN A 36 -8.332 2.866 -4.266 1.00 0.00 C ATOM 332 O ASN A 36 -8.066 3.745 -5.086 1.00 0.00 O ATOM 333 CB ASN A 36 -7.030 3.905 -2.400 1.00 0.00 C ATOM 334 CG ASN A 36 -8.167 4.469 -1.559 1.00 0.00 C ATOM 335 OD1 ASN A 36 -9.342 4.267 -1.859 1.00 0.00 O ATOM 336 ND2 ASN A 36 -7.823 5.181 -0.497 1.00 0.00 N ATOM 0 H ASN A 36 -5.398 2.427 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.943 1.972 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.158 3.741 -1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.742 4.636 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.544 5.583 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.837 5.328 -0.279 1.00 0.00 H new ATOM 343 N LYS A 37 -9.403 2.094 -4.352 1.00 0.00 N ATOM 344 CA LYS A 37 -10.392 2.266 -5.399 1.00 0.00 C ATOM 345 C LYS A 37 -11.787 2.314 -4.790 1.00 0.00 C ATOM 346 O LYS A 37 -12.432 3.363 -4.769 1.00 0.00 O ATOM 347 CB LYS A 37 -10.296 1.127 -6.418 1.00 0.00 C ATOM 348 CG LYS A 37 -9.353 1.427 -7.571 1.00 0.00 C ATOM 349 CD LYS A 37 -10.119 1.772 -8.837 1.00 0.00 C ATOM 350 CE LYS A 37 -10.461 0.526 -9.636 1.00 0.00 C ATOM 351 NZ LYS A 37 -11.842 0.576 -10.182 1.00 0.00 N ATOM 0 H LYS A 37 -9.609 1.336 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.198 3.206 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.961 0.222 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.290 0.920 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.699 2.256 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.714 0.563 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.035 2.302 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.524 2.448 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.751 0.415 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.354 -0.353 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.034 -0.293 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.522 0.656 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.938 1.400 -10.809 1.00 0.00 H new ATOM 365 N GLU A 38 -12.237 1.174 -4.280 1.00 0.00 N ATOM 366 CA GLU A 38 -13.528 1.081 -3.620 1.00 0.00 C ATOM 367 C GLU A 38 -13.406 0.235 -2.361 1.00 0.00 C ATOM 368 O GLU A 38 -12.572 -0.674 -2.297 1.00 0.00 O ATOM 369 CB GLU A 38 -14.576 0.473 -4.554 1.00 0.00 C ATOM 370 CG GLU A 38 -15.528 1.493 -5.162 1.00 0.00 C ATOM 371 CD GLU A 38 -15.971 2.564 -4.180 1.00 0.00 C ATOM 372 OE1 GLU A 38 -16.129 2.259 -2.975 1.00 0.00 O ATOM 373 OE2 GLU A 38 -16.169 3.719 -4.610 1.00 0.00 O ATOM 0 H GLU A 38 -11.720 0.295 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.849 2.087 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.067 -0.058 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.156 -0.266 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.043 1.970 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.407 0.975 -5.545 1.00 0.00 H new ATOM 380 N GLY A 39 -14.228 0.530 -1.369 1.00 0.00 N ATOM 381 CA GLY A 39 -14.174 -0.204 -0.124 1.00 0.00 C ATOM 382 C GLY A 39 -15.096 0.372 0.925 1.00 0.00 C ATOM 383 O GLY A 39 -15.951 1.202 0.618 1.00 0.00 O ATOM 0 H GLY A 39 -14.933 1.266 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.442 -1.245 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.151 -0.200 0.253 1.00 0.00 H new ATOM 387 N LYS A 40 -14.916 -0.066 2.162 1.00 0.00 N ATOM 388 CA LYS A 40 -15.745 0.383 3.272 1.00 0.00 C ATOM 389 C LYS A 40 -14.869 0.752 4.459 1.00 0.00 C ATOM 390 O LYS A 40 -13.848 0.106 4.703 1.00 0.00 O ATOM 391 CB LYS A 40 -16.748 -0.705 3.678 1.00 0.00 C ATOM 392 CG LYS A 40 -16.349 -2.109 3.252 1.00 0.00 C ATOM 393 CD LYS A 40 -16.069 -3.001 4.451 1.00 0.00 C ATOM 394 CE LYS A 40 -15.039 -4.069 4.120 1.00 0.00 C ATOM 395 NZ LYS A 40 -14.483 -4.705 5.344 1.00 0.00 N ATOM 0 H LYS A 40 -14.196 -0.739 2.424 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.303 1.262 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.869 -0.686 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.720 -0.468 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.145 -2.547 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.462 -2.060 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.711 -2.394 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.995 -3.475 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.497 -4.832 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.229 -3.624 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.585 -5.176 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.317 -3.977 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.158 -5.407 5.708 1.00 0.00 H new ATOM 409 N THR A 41 -15.268 1.778 5.195 1.00 0.00 N ATOM 410 CA THR A 41 -14.498 2.248 6.340 1.00 0.00 C ATOM 411 C THR A 41 -14.747 1.377 7.571 1.00 0.00 C ATOM 412 O THR A 41 -15.131 1.870 8.634 1.00 0.00 O ATOM 413 CB THR A 41 -14.849 3.709 6.667 1.00 0.00 C ATOM 414 OG1 THR A 41 -15.770 4.218 5.688 1.00 0.00 O ATOM 415 CG2 THR A 41 -13.602 4.576 6.692 1.00 0.00 C ATOM 0 H THR A 41 -16.124 2.304 5.020 1.00 0.00 H new ATOM 0 HA THR A 41 -13.443 2.182 6.073 1.00 0.00 H new ATOM 0 HB THR A 41 -15.309 3.737 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.992 5.148 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.878 5.604 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.915 4.203 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.117 4.543 5.717 1.00 0.00 H new ATOM 423 N ARG A 42 -14.525 0.080 7.418 1.00 0.00 N ATOM 424 CA ARG A 42 -14.734 -0.872 8.496 1.00 0.00 C ATOM 425 C ARG A 42 -13.937 -2.141 8.238 1.00 0.00 C ATOM 426 O ARG A 42 -14.330 -2.976 7.420 1.00 0.00 O ATOM 427 CB ARG A 42 -16.220 -1.207 8.637 1.00 0.00 C ATOM 428 CG ARG A 42 -16.552 -1.935 9.928 1.00 0.00 C ATOM 429 CD ARG A 42 -17.734 -1.303 10.640 1.00 0.00 C ATOM 430 NE ARG A 42 -18.476 -2.287 11.420 1.00 0.00 N ATOM 431 CZ ARG A 42 -18.352 -2.452 12.735 1.00 0.00 C ATOM 432 NH1 ARG A 42 -17.568 -1.648 13.447 1.00 0.00 N ATOM 433 NH2 ARG A 42 -19.030 -3.423 13.336 1.00 0.00 N ATOM 0 H ARG A 42 -14.197 -0.339 6.548 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.390 -0.420 9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.799 -0.285 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.528 -1.822 7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.774 -2.980 9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.683 -1.925 10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.382 -0.507 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -18.397 -0.842 9.908 1.00 0.00 H new ATOM 0 HE ARG A 42 -19.134 -2.889 10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.055 -0.897 12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.480 -1.783 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.638 -4.033 12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.942 -3.558 14.343 1.00 0.00 H new ATOM 447 N GLY A 43 -12.810 -2.274 8.917 1.00 0.00 N ATOM 448 CA GLY A 43 -11.954 -3.422 8.710 1.00 0.00 C ATOM 449 C GLY A 43 -11.048 -3.225 7.515 1.00 0.00 C ATOM 450 O GLY A 43 -10.656 -4.185 6.848 1.00 0.00 O ATOM 0 H GLY A 43 -12.472 -1.606 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.351 -3.594 9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.566 -4.312 8.562 1.00 0.00 H new ATOM 454 N GLY A 44 -10.726 -1.968 7.246 1.00 0.00 N ATOM 455 CA GLY A 44 -9.891 -1.634 6.110 1.00 0.00 C ATOM 456 C GLY A 44 -9.763 -0.137 5.918 1.00 0.00 C ATOM 457 O GLY A 44 -9.510 0.335 4.809 1.00 0.00 O ATOM 0 H GLY A 44 -11.031 -1.167 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.901 -2.067 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.311 -2.080 5.208 1.00 0.00 H new ATOM 461 N GLU A 45 -9.944 0.611 6.999 1.00 0.00 N ATOM 462 CA GLU A 45 -9.826 2.061 6.969 1.00 0.00 C ATOM 463 C GLU A 45 -8.363 2.466 6.808 1.00 0.00 C ATOM 464 O GLU A 45 -7.641 2.659 7.791 1.00 0.00 O ATOM 465 CB GLU A 45 -10.433 2.675 8.242 1.00 0.00 C ATOM 466 CG GLU A 45 -10.011 1.978 9.533 1.00 0.00 C ATOM 467 CD GLU A 45 -10.982 0.898 9.968 1.00 0.00 C ATOM 468 OE1 GLU A 45 -11.037 -0.158 9.303 1.00 0.00 O ATOM 469 OE2 GLU A 45 -11.680 1.091 10.985 1.00 0.00 O ATOM 0 H GLU A 45 -10.176 0.231 7.917 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.382 2.444 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.146 3.725 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.520 2.645 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.024 1.537 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.921 2.719 10.327 1.00 0.00 H new ATOM 476 N LEU A 46 -7.937 2.578 5.550 1.00 0.00 N ATOM 477 CA LEU A 46 -6.545 2.834 5.214 1.00 0.00 C ATOM 478 C LEU A 46 -5.651 1.813 5.903 1.00 0.00 C ATOM 479 O LEU A 46 -4.650 2.162 6.524 1.00 0.00 O ATOM 480 CB LEU A 46 -6.143 4.262 5.597 1.00 0.00 C ATOM 481 CG LEU A 46 -5.745 5.169 4.426 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.567 4.856 3.184 1.00 0.00 C ATOM 483 CD2 LEU A 46 -5.906 6.629 4.814 1.00 0.00 C ATOM 0 H LEU A 46 -8.550 2.493 4.739 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.421 2.736 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.975 4.726 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.308 4.211 6.296 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.698 4.979 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.263 5.515 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.404 3.819 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.624 5.010 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.620 7.262 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.946 6.823 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.268 6.851 5.669 1.00 0.00 H new ATOM 495 N TYR A 47 -6.036 0.547 5.792 1.00 0.00 N ATOM 496 CA TYR A 47 -5.301 -0.528 6.432 1.00 0.00 C ATOM 497 C TYR A 47 -4.440 -1.275 5.423 1.00 0.00 C ATOM 498 O TYR A 47 -4.950 -1.886 4.479 1.00 0.00 O ATOM 499 CB TYR A 47 -6.257 -1.500 7.133 1.00 0.00 C ATOM 500 CG TYR A 47 -5.551 -2.652 7.818 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.869 -2.465 9.013 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.559 -3.924 7.262 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.217 -3.513 9.634 1.00 0.00 C ATOM 504 CE2 TYR A 47 -4.908 -4.977 7.874 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.239 -4.767 9.061 1.00 0.00 C ATOM 506 OH TYR A 47 -3.585 -5.814 9.675 1.00 0.00 O ATOM 0 H TYR A 47 -6.854 0.244 5.264 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.647 -0.083 7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.843 -0.952 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.959 -1.898 6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.848 -1.484 9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.084 -4.093 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.692 -3.351 10.564 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.923 -5.959 7.425 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.699 -6.629 9.142 1.00 0.00 H new ATOM 516 N ALA A 48 -3.136 -1.194 5.616 1.00 0.00 N ATOM 517 CA ALA A 48 -2.186 -1.963 4.833 1.00 0.00 C ATOM 518 C ALA A 48 -0.920 -2.169 5.640 1.00 0.00 C ATOM 519 O ALA A 48 -0.434 -1.240 6.284 1.00 0.00 O ATOM 520 CB ALA A 48 -1.869 -1.266 3.521 1.00 0.00 C ATOM 0 H ALA A 48 -2.706 -0.594 6.320 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.628 -2.931 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.155 -1.864 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.784 -1.148 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.440 -0.285 3.725 1.00 0.00 H new ATOM 526 N VAL A 49 -0.397 -3.377 5.630 1.00 0.00 N ATOM 527 CA VAL A 49 0.799 -3.668 6.391 1.00 0.00 C ATOM 528 C VAL A 49 1.969 -3.972 5.468 1.00 0.00 C ATOM 529 O VAL A 49 1.908 -4.880 4.640 1.00 0.00 O ATOM 530 CB VAL A 49 0.580 -4.835 7.387 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.039 -6.041 6.699 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.883 -5.212 8.078 1.00 0.00 C ATOM 0 H VAL A 49 -0.777 -4.167 5.108 1.00 0.00 H new ATOM 0 HA VAL A 49 1.034 -2.776 6.972 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.121 -4.493 8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.179 -6.842 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.004 -5.762 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.622 -6.385 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.703 -6.033 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.614 -5.522 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.266 -4.351 8.626 1.00 0.00 H new ATOM 542 N LEU A 50 3.020 -3.177 5.592 1.00 0.00 N ATOM 543 CA LEU A 50 4.253 -3.433 4.869 1.00 0.00 C ATOM 544 C LEU A 50 5.105 -4.388 5.680 1.00 0.00 C ATOM 545 O LEU A 50 5.636 -4.016 6.723 1.00 0.00 O ATOM 546 CB LEU A 50 5.023 -2.138 4.615 1.00 0.00 C ATOM 547 CG LEU A 50 6.403 -2.332 3.983 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.297 -2.315 2.470 1.00 0.00 C ATOM 549 CD2 LEU A 50 7.369 -1.263 4.467 1.00 0.00 C ATOM 0 H LEU A 50 3.043 -2.349 6.187 1.00 0.00 H new ATOM 0 HA LEU A 50 4.011 -3.872 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.427 -1.498 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.142 -1.610 5.561 1.00 0.00 H new ATOM 0 HG LEU A 50 6.791 -3.303 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.286 -2.454 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.640 -3.120 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.889 -1.358 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.344 -1.419 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.990 -0.279 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.466 -1.324 5.551 1.00 0.00 H new ATOM 561 N HIS A 51 5.203 -5.619 5.218 1.00 0.00 N ATOM 562 CA HIS A 51 5.940 -6.646 5.934 1.00 0.00 C ATOM 563 C HIS A 51 7.347 -6.803 5.378 1.00 0.00 C ATOM 564 O HIS A 51 7.559 -6.736 4.166 1.00 0.00 O ATOM 565 CB HIS A 51 5.198 -7.974 5.843 1.00 0.00 C ATOM 566 CG HIS A 51 4.277 -8.225 6.992 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.706 -8.318 8.294 1.00 0.00 N ATOM 568 CD2 HIS A 51 2.936 -8.383 7.028 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.671 -8.528 9.083 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.580 -8.569 8.343 1.00 0.00 N ATOM 0 H HIS A 51 4.780 -5.935 4.345 1.00 0.00 H new ATOM 0 HA HIS A 51 6.019 -6.342 6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.624 -7.997 4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.925 -8.784 5.788 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.675 -8.237 8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.267 -8.366 6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.710 -8.647 10.156 1.00 0.00 H new ATOM 579 N SER A 52 8.302 -7.000 6.269 1.00 0.00 N ATOM 580 CA SER A 52 9.679 -7.234 5.877 1.00 0.00 C ATOM 581 C SER A 52 10.030 -8.715 6.006 1.00 0.00 C ATOM 582 O SER A 52 10.482 -9.167 7.060 1.00 0.00 O ATOM 583 CB SER A 52 10.613 -6.397 6.749 1.00 0.00 C ATOM 584 OG SER A 52 9.906 -5.812 7.831 1.00 0.00 O ATOM 0 H SER A 52 8.146 -7.002 7.277 1.00 0.00 H new ATOM 0 HA SER A 52 9.801 -6.941 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.418 -7.024 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.076 -5.615 6.147 1.00 0.00 H new ATOM 0 HG SER A 52 10.543 -5.417 8.463 1.00 0.00 H new ATOM 590 N THR A 53 9.814 -9.467 4.938 1.00 0.00 N ATOM 591 CA THR A 53 10.113 -10.895 4.927 1.00 0.00 C ATOM 592 C THR A 53 11.586 -11.150 4.595 1.00 0.00 C ATOM 593 O THR A 53 11.923 -12.125 3.918 1.00 0.00 O ATOM 594 CB THR A 53 9.226 -11.621 3.899 1.00 0.00 C ATOM 595 OG1 THR A 53 8.237 -10.714 3.387 1.00 0.00 O ATOM 596 CG2 THR A 53 8.539 -12.823 4.524 1.00 0.00 C ATOM 0 H THR A 53 9.431 -9.112 4.062 1.00 0.00 H new ATOM 0 HA THR A 53 9.907 -11.283 5.925 1.00 0.00 H new ATOM 0 HB THR A 53 9.861 -11.972 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.580 -11.212 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.919 -13.317 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.291 -13.522 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.914 -12.494 5.354 1.00 0.00 H new ATOM 604 N ASN A 54 12.457 -10.273 5.078 1.00 0.00 N ATOM 605 CA ASN A 54 13.880 -10.356 4.776 1.00 0.00 C ATOM 606 C ASN A 54 14.703 -9.882 5.971 1.00 0.00 C ATOM 607 O ASN A 54 14.143 -9.492 6.998 1.00 0.00 O ATOM 608 CB ASN A 54 14.218 -9.534 3.522 1.00 0.00 C ATOM 609 CG ASN A 54 14.153 -8.036 3.755 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.117 -7.424 4.200 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.020 -7.434 3.435 1.00 0.00 N ATOM 0 H ASN A 54 12.201 -9.493 5.683 1.00 0.00 H new ATOM 0 HA ASN A 54 14.131 -11.397 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.218 -9.799 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.527 -9.801 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.926 -6.426 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.240 -7.978 3.067 1.00 0.00 H new ATOM 618 N VAL A 55 16.025 -9.922 5.828 1.00 0.00 N ATOM 619 CA VAL A 55 16.936 -9.593 6.923 1.00 0.00 C ATOM 620 C VAL A 55 17.153 -8.087 7.056 1.00 0.00 C ATOM 621 O VAL A 55 16.980 -7.521 8.137 1.00 0.00 O ATOM 622 CB VAL A 55 18.311 -10.275 6.741 1.00 0.00 C ATOM 623 CG1 VAL A 55 19.043 -10.367 8.069 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.152 -11.653 6.116 1.00 0.00 C ATOM 0 H VAL A 55 16.493 -10.181 4.959 1.00 0.00 H new ATOM 0 HA VAL A 55 16.460 -9.965 7.830 1.00 0.00 H new ATOM 0 HB VAL A 55 18.908 -9.663 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.009 -10.850 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.197 -9.365 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.450 -10.952 8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.133 -12.114 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.534 -12.276 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.676 -11.557 5.140 1.00 0.00 H new ATOM 634 N ASN A 56 17.531 -7.443 5.959 1.00 0.00 N ATOM 635 CA ASN A 56 17.858 -6.017 5.973 1.00 0.00 C ATOM 636 C ASN A 56 16.599 -5.168 5.822 1.00 0.00 C ATOM 637 O ASN A 56 16.336 -4.592 4.762 1.00 0.00 O ATOM 638 CB ASN A 56 18.870 -5.680 4.863 1.00 0.00 C ATOM 639 CG ASN A 56 18.509 -6.276 3.506 1.00 0.00 C ATOM 640 OD1 ASN A 56 18.334 -7.487 3.367 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.408 -5.429 2.492 1.00 0.00 N ATOM 0 H ASN A 56 17.620 -7.885 5.044 1.00 0.00 H new ATOM 0 HA ASN A 56 18.312 -5.785 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 56 18.944 -4.597 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.855 -6.041 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.179 -5.774 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.560 -4.432 2.643 1.00 0.00 H new ATOM 648 N ALA A 57 15.829 -5.075 6.895 1.00 0.00 N ATOM 649 CA ALA A 57 14.563 -4.369 6.858 1.00 0.00 C ATOM 650 C ALA A 57 14.746 -2.883 7.129 1.00 0.00 C ATOM 651 O ALA A 57 14.879 -2.450 8.274 1.00 0.00 O ATOM 652 CB ALA A 57 13.582 -4.966 7.847 1.00 0.00 C ATOM 0 H ALA A 57 16.061 -5.481 7.802 1.00 0.00 H new ATOM 0 HA ALA A 57 14.157 -4.482 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.640 -4.419 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.407 -6.013 7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.993 -4.896 8.854 1.00 0.00 H new ATOM 658 N ASP A 58 14.772 -2.116 6.058 1.00 0.00 N ATOM 659 CA ASP A 58 14.769 -0.665 6.140 1.00 0.00 C ATOM 660 C ASP A 58 13.976 -0.118 4.969 1.00 0.00 C ATOM 661 O ASP A 58 14.464 0.684 4.178 1.00 0.00 O ATOM 662 CB ASP A 58 16.189 -0.091 6.141 1.00 0.00 C ATOM 663 CG ASP A 58 16.278 1.209 6.923 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.051 1.186 8.154 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.570 2.261 6.317 1.00 0.00 O ATOM 0 H ASP A 58 14.796 -2.479 5.105 1.00 0.00 H new ATOM 0 HA ASP A 58 14.307 -0.366 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.875 -0.821 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.511 0.081 5.114 1.00 0.00 H new ATOM 670 N MET A 59 12.747 -0.583 4.860 1.00 0.00 N ATOM 671 CA MET A 59 11.872 -0.191 3.774 1.00 0.00 C ATOM 672 C MET A 59 10.831 0.769 4.317 1.00 0.00 C ATOM 673 O MET A 59 10.144 0.464 5.288 1.00 0.00 O ATOM 674 CB MET A 59 11.186 -1.420 3.173 1.00 0.00 C ATOM 675 CG MET A 59 12.151 -2.452 2.619 1.00 0.00 C ATOM 676 SD MET A 59 12.292 -3.903 3.682 1.00 0.00 S ATOM 677 CE MET A 59 10.665 -4.619 3.469 1.00 0.00 C ATOM 0 H MET A 59 12.329 -1.240 5.519 1.00 0.00 H new ATOM 0 HA MET A 59 12.454 0.292 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.567 -1.889 3.938 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.517 -1.097 2.375 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.818 -2.762 1.628 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.134 -1.997 2.497 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.758 -5.694 3.314 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.065 -4.431 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.180 -4.168 2.603 1.00 0.00 H new ATOM 687 N THR A 60 10.727 1.926 3.703 1.00 0.00 N ATOM 688 CA THR A 60 9.902 2.988 4.240 1.00 0.00 C ATOM 689 C THR A 60 8.512 2.993 3.614 1.00 0.00 C ATOM 690 O THR A 60 8.364 3.197 2.404 1.00 0.00 O ATOM 691 CB THR A 60 10.585 4.348 4.025 1.00 0.00 C ATOM 692 OG1 THR A 60 11.248 4.361 2.750 1.00 0.00 O ATOM 693 CG2 THR A 60 11.601 4.599 5.127 1.00 0.00 C ATOM 0 H THR A 60 11.203 2.157 2.831 1.00 0.00 H new ATOM 0 HA THR A 60 9.783 2.809 5.309 1.00 0.00 H new ATOM 0 HB THR A 60 9.828 5.132 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.681 5.230 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.080 5.565 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.097 4.600 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.356 3.813 5.112 1.00 0.00 H new ATOM 701 N LEU A 61 7.501 2.762 4.444 1.00 0.00 N ATOM 702 CA LEU A 61 6.121 2.777 3.986 1.00 0.00 C ATOM 703 C LEU A 61 5.493 4.099 4.373 1.00 0.00 C ATOM 704 O LEU A 61 5.390 4.417 5.554 1.00 0.00 O ATOM 705 CB LEU A 61 5.326 1.615 4.596 1.00 0.00 C ATOM 706 CG LEU A 61 3.801 1.768 4.551 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.245 1.192 3.256 1.00 0.00 C ATOM 708 CD2 LEU A 61 3.162 1.095 5.756 1.00 0.00 C ATOM 0 H LEU A 61 7.614 2.562 5.438 1.00 0.00 H new ATOM 0 HA LEU A 61 6.103 2.659 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.598 0.697 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.632 1.494 5.635 1.00 0.00 H new ATOM 0 HG LEU A 61 3.560 2.830 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.161 1.309 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.679 1.720 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.496 0.133 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.080 1.214 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.411 0.034 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.537 1.555 6.671 1.00 0.00 H new ATOM 720 N ILE A 62 5.091 4.881 3.394 1.00 0.00 N ATOM 721 CA ILE A 62 4.582 6.205 3.676 1.00 0.00 C ATOM 722 C ILE A 62 3.210 6.423 3.021 1.00 0.00 C ATOM 723 O ILE A 62 3.027 6.194 1.824 1.00 0.00 O ATOM 724 CB ILE A 62 5.622 7.278 3.257 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.154 8.681 3.629 1.00 0.00 C ATOM 726 CG2 ILE A 62 5.945 7.191 1.776 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.289 9.653 3.871 1.00 0.00 C ATOM 0 H ILE A 62 5.106 4.627 2.406 1.00 0.00 H new ATOM 0 HA ILE A 62 4.427 6.304 4.750 1.00 0.00 H new ATOM 0 HB ILE A 62 6.538 7.073 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.520 9.067 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.538 8.624 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.676 7.957 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.355 6.207 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.036 7.347 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.882 10.630 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.911 9.290 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.892 9.740 2.967 1.00 0.00 H new ATOM 739 N LEU A 63 2.246 6.825 3.843 1.00 0.00 N ATOM 740 CA LEU A 63 0.862 7.014 3.415 1.00 0.00 C ATOM 741 C LEU A 63 0.707 8.351 2.699 1.00 0.00 C ATOM 742 O LEU A 63 1.038 9.406 3.251 1.00 0.00 O ATOM 743 CB LEU A 63 -0.061 6.951 4.640 1.00 0.00 C ATOM 744 CG LEU A 63 -1.449 6.329 4.435 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.467 6.986 5.355 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.903 6.424 2.986 1.00 0.00 C ATOM 0 H LEU A 63 2.402 7.030 4.830 1.00 0.00 H new ATOM 0 HA LEU A 63 0.588 6.222 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.450 6.388 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.196 7.966 5.015 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.375 5.271 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.446 6.533 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.165 6.844 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.521 8.052 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.890 5.972 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.950 7.471 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.195 5.896 2.347 1.00 0.00 H new ATOM 758 N LEU A 64 0.206 8.298 1.472 1.00 0.00 N ATOM 759 CA LEU A 64 0.131 9.473 0.618 1.00 0.00 C ATOM 760 C LEU A 64 -1.240 9.635 -0.017 1.00 0.00 C ATOM 761 O LEU A 64 -1.988 8.671 -0.151 1.00 0.00 O ATOM 762 CB LEU A 64 1.151 9.343 -0.501 1.00 0.00 C ATOM 763 CG LEU A 64 2.468 10.054 -0.276 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.280 9.346 0.782 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.235 10.122 -1.573 1.00 0.00 C ATOM 0 H LEU A 64 -0.157 7.446 1.044 1.00 0.00 H new ATOM 0 HA LEU A 64 0.329 10.342 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.354 8.284 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.706 9.725 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 64 2.268 11.067 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.223 9.872 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.723 9.331 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.481 8.323 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.183 10.634 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.426 9.112 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.651 10.669 -2.313 1.00 0.00 H new ATOM 777 N ARG A 65 -1.548 10.862 -0.420 1.00 0.00 N ATOM 778 CA ARG A 65 -2.654 11.106 -1.329 1.00 0.00 C ATOM 779 C ARG A 65 -2.267 12.215 -2.304 1.00 0.00 C ATOM 780 O ARG A 65 -2.245 13.399 -1.959 1.00 0.00 O ATOM 781 CB ARG A 65 -3.940 11.468 -0.564 1.00 0.00 C ATOM 782 CG ARG A 65 -3.784 12.602 0.440 1.00 0.00 C ATOM 783 CD ARG A 65 -4.759 13.731 0.145 1.00 0.00 C ATOM 784 NE ARG A 65 -4.491 14.928 0.940 1.00 0.00 N ATOM 785 CZ ARG A 65 -3.593 15.861 0.613 1.00 0.00 C ATOM 786 NH1 ARG A 65 -2.811 15.698 -0.454 1.00 0.00 N ATOM 787 NH2 ARG A 65 -3.470 16.950 1.359 1.00 0.00 N ATOM 0 H ARG A 65 -1.046 11.701 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.861 10.192 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.710 11.742 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.296 10.582 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.953 12.225 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.763 12.982 0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.707 13.984 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.775 13.389 0.341 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.024 15.059 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.897 14.857 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.127 16.414 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.061 17.074 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.785 17.664 1.111 1.00 0.00 H new ATOM 801 N ASN A 66 -1.938 11.813 -3.516 1.00 0.00 N ATOM 802 CA ASN A 66 -1.553 12.742 -4.568 1.00 0.00 C ATOM 803 C ASN A 66 -2.239 12.345 -5.868 1.00 0.00 C ATOM 804 O ASN A 66 -2.592 11.181 -6.043 1.00 0.00 O ATOM 805 CB ASN A 66 -0.024 12.758 -4.714 1.00 0.00 C ATOM 806 CG ASN A 66 0.466 12.902 -6.147 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.691 14.008 -6.632 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.639 11.782 -6.827 1.00 0.00 N ATOM 0 H ASN A 66 -1.929 10.834 -3.802 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.872 13.752 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.377 13.580 -4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.379 11.836 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.971 11.817 -7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.441 10.883 -6.388 1.00 0.00 H new ATOM 815 N VAL A 67 -2.425 13.291 -6.770 1.00 0.00 N ATOM 816 CA VAL A 67 -3.052 12.991 -8.048 1.00 0.00 C ATOM 817 C VAL A 67 -2.853 14.133 -9.053 1.00 0.00 C ATOM 818 O VAL A 67 -3.139 13.988 -10.242 1.00 0.00 O ATOM 819 CB VAL A 67 -4.554 12.686 -7.847 1.00 0.00 C ATOM 820 CG1 VAL A 67 -5.317 13.943 -7.457 1.00 0.00 C ATOM 821 CG2 VAL A 67 -5.159 12.039 -9.088 1.00 0.00 C ATOM 0 H VAL A 67 -2.154 14.266 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.569 12.106 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.641 11.972 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.371 13.701 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.913 14.340 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.214 14.690 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.216 11.837 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.053 12.713 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.641 11.104 -9.300 1.00 0.00 H new ATOM 831 N GLY A 68 -2.341 15.261 -8.577 1.00 0.00 N ATOM 832 CA GLY A 68 -2.094 16.386 -9.456 1.00 0.00 C ATOM 833 C GLY A 68 -0.664 16.423 -9.959 1.00 0.00 C ATOM 834 O GLY A 68 0.087 17.350 -9.646 1.00 0.00 O ATOM 0 H GLY A 68 -2.093 15.416 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.774 16.336 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.314 17.313 -8.926 1.00 0.00 H new ATOM 838 N GLY A 69 -0.290 15.416 -10.735 1.00 0.00 N ATOM 839 CA GLY A 69 1.059 15.344 -11.264 1.00 0.00 C ATOM 840 C GLY A 69 1.552 13.914 -11.362 1.00 0.00 C ATOM 841 O GLY A 69 1.002 13.021 -10.711 1.00 0.00 O ATOM 0 H GLY A 69 -0.898 14.644 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.087 15.806 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.731 15.917 -10.625 1.00 0.00 H new ATOM 845 N ASN A 70 2.577 13.686 -12.173 1.00 0.00 N ATOM 846 CA ASN A 70 3.127 12.346 -12.344 1.00 0.00 C ATOM 847 C ASN A 70 4.193 12.064 -11.296 1.00 0.00 C ATOM 848 O ASN A 70 5.393 12.120 -11.570 1.00 0.00 O ATOM 849 CB ASN A 70 3.708 12.156 -13.746 1.00 0.00 C ATOM 850 CG ASN A 70 4.009 10.697 -14.045 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.243 9.804 -13.675 1.00 0.00 O ATOM 852 ND2 ASN A 70 5.123 10.447 -14.713 1.00 0.00 N ATOM 0 H ASN A 70 3.044 14.408 -12.721 1.00 0.00 H new ATOM 0 HA ASN A 70 2.309 11.638 -12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.005 12.540 -14.485 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.622 12.742 -13.842 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.376 9.486 -14.941 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.729 11.216 -15.000 1.00 0.00 H new ATOM 859 N GLY A 71 3.737 11.780 -10.095 1.00 0.00 N ATOM 860 CA GLY A 71 4.625 11.470 -9.001 1.00 0.00 C ATOM 861 C GLY A 71 3.831 11.145 -7.764 1.00 0.00 C ATOM 862 O GLY A 71 2.731 10.613 -7.877 1.00 0.00 O ATOM 0 H GLY A 71 2.746 11.758 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.260 10.625 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.284 12.316 -8.807 1.00 0.00 H new ATOM 866 N TRP A 72 4.381 11.456 -6.592 1.00 0.00 N ATOM 867 CA TRP A 72 3.668 11.308 -5.323 1.00 0.00 C ATOM 868 C TRP A 72 4.144 12.388 -4.341 1.00 0.00 C ATOM 869 O TRP A 72 5.295 12.821 -4.408 1.00 0.00 O ATOM 870 CB TRP A 72 3.895 9.909 -4.722 1.00 0.00 C ATOM 871 CG TRP A 72 3.242 8.793 -5.490 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.878 7.752 -6.110 1.00 0.00 C ATOM 873 CD2 TRP A 72 1.831 8.587 -5.708 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.961 6.952 -6.740 1.00 0.00 N ATOM 875 CE2 TRP A 72 1.702 7.431 -6.500 1.00 0.00 C ATOM 876 CE3 TRP A 72 0.662 9.267 -5.324 1.00 0.00 C ATOM 877 CZ2 TRP A 72 0.464 6.941 -6.914 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -0.565 8.774 -5.736 1.00 0.00 C ATOM 879 CH2 TRP A 72 -0.655 7.622 -6.522 1.00 0.00 C ATOM 0 H TRP A 72 5.330 11.817 -6.494 1.00 0.00 H new ATOM 0 HA TRP A 72 2.600 11.426 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.967 9.719 -4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.518 9.900 -3.699 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.945 7.586 -6.104 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.182 6.129 -7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.720 10.159 -4.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.391 6.053 -7.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -1.468 9.289 -5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.627 7.263 -6.826 1.00 0.00 H new ATOM 890 N GLY A 73 3.250 12.834 -3.453 1.00 0.00 N ATOM 891 CA GLY A 73 3.603 13.843 -2.453 1.00 0.00 C ATOM 892 C GLY A 73 3.469 13.304 -1.039 1.00 0.00 C ATOM 893 O GLY A 73 2.363 12.989 -0.594 1.00 0.00 O ATOM 0 H GLY A 73 2.283 12.514 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.627 14.177 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.960 14.715 -2.573 1.00 0.00 H new ATOM 897 N GLU A 74 4.593 13.213 -0.334 1.00 0.00 N ATOM 898 CA GLU A 74 4.681 12.453 0.916 1.00 0.00 C ATOM 899 C GLU A 74 3.915 13.090 2.072 1.00 0.00 C ATOM 900 O GLU A 74 3.847 14.315 2.191 1.00 0.00 O ATOM 901 CB GLU A 74 6.142 12.272 1.319 1.00 0.00 C ATOM 902 CG GLU A 74 6.867 11.236 0.485 1.00 0.00 C ATOM 903 CD GLU A 74 7.496 11.830 -0.753 1.00 0.00 C ATOM 904 OE1 GLU A 74 8.435 12.640 -0.616 1.00 0.00 O ATOM 905 OE2 GLU A 74 7.061 11.489 -1.869 1.00 0.00 O ATOM 0 H GLU A 74 5.467 13.661 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 74 4.215 11.488 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.658 13.228 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.189 11.982 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.640 10.763 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.167 10.453 0.193 1.00 0.00 H new ATOM 912 N ILE A 75 3.351 12.233 2.932 1.00 0.00 N ATOM 913 CA ILE A 75 2.649 12.683 4.129 1.00 0.00 C ATOM 914 C ILE A 75 3.107 11.899 5.367 1.00 0.00 C ATOM 915 O ILE A 75 4.034 12.314 6.059 1.00 0.00 O ATOM 916 CB ILE A 75 1.114 12.549 3.994 1.00 0.00 C ATOM 917 CG1 ILE A 75 0.639 13.068 2.634 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.413 13.298 5.124 1.00 0.00 C ATOM 919 CD1 ILE A 75 -0.823 12.796 2.365 1.00 0.00 C ATOM 0 H ILE A 75 3.370 11.220 2.815 1.00 0.00 H new ATOM 0 HA ILE A 75 2.897 13.738 4.247 1.00 0.00 H new ATOM 0 HB ILE A 75 0.857 11.492 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.817 14.142 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.237 12.607 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.667 13.194 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.722 12.882 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.682 14.354 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.092 13.190 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.003 11.721 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.430 13.280 3.130 1.00 0.00 H new ATOM 931 N LYS A 76 2.475 10.754 5.635 1.00 0.00 N ATOM 932 CA LYS A 76 2.718 10.022 6.882 1.00 0.00 C ATOM 933 C LYS A 76 3.672 8.850 6.676 1.00 0.00 C ATOM 934 O LYS A 76 3.312 7.856 6.051 1.00 0.00 O ATOM 935 CB LYS A 76 1.394 9.510 7.456 1.00 0.00 C ATOM 936 CG LYS A 76 1.439 9.227 8.950 1.00 0.00 C ATOM 937 CD LYS A 76 1.744 7.764 9.236 1.00 0.00 C ATOM 938 CE LYS A 76 1.615 7.448 10.715 1.00 0.00 C ATOM 939 NZ LYS A 76 2.937 7.357 11.390 1.00 0.00 N ATOM 0 H LYS A 76 1.797 10.316 5.012 1.00 0.00 H new ATOM 0 HA LYS A 76 3.183 10.715 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.615 10.246 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.110 8.598 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.198 9.855 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.483 9.494 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.063 7.131 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.754 7.529 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.015 8.219 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.081 6.506 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.840 7.645 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.283 6.377 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.615 7.985 10.912 1.00 0.00 H new ATOM 953 N ARG A 77 4.874 8.955 7.229 1.00 0.00 N ATOM 954 CA ARG A 77 5.875 7.900 7.099 1.00 0.00 C ATOM 955 C ARG A 77 5.714 6.855 8.201 1.00 0.00 C ATOM 956 O ARG A 77 5.419 7.194 9.348 1.00 0.00 O ATOM 957 CB ARG A 77 7.281 8.507 7.144 1.00 0.00 C ATOM 958 CG ARG A 77 8.399 7.486 7.039 1.00 0.00 C ATOM 959 CD ARG A 77 9.221 7.436 8.316 1.00 0.00 C ATOM 960 NE ARG A 77 10.178 8.536 8.391 1.00 0.00 N ATOM 961 CZ ARG A 77 11.497 8.384 8.292 1.00 0.00 C ATOM 962 NH1 ARG A 77 12.027 7.173 8.151 1.00 0.00 N ATOM 963 NH2 ARG A 77 12.285 9.450 8.346 1.00 0.00 N ATOM 0 H ARG A 77 5.181 9.761 7.773 1.00 0.00 H new ATOM 0 HA ARG A 77 5.730 7.404 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.381 9.225 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.396 9.062 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.978 6.501 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.045 7.736 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.555 7.475 9.178 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.754 6.487 8.368 1.00 0.00 H new ATOM 0 HE ARG A 77 9.814 9.479 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.422 6.352 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.038 7.065 8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.879 10.379 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.296 9.341 8.271 1.00 0.00 H new ATOM 977 N ASN A 78 5.896 5.587 7.847 1.00 0.00 N ATOM 978 CA ASN A 78 5.819 4.504 8.818 1.00 0.00 C ATOM 979 C ASN A 78 6.998 3.541 8.691 1.00 0.00 C ATOM 980 O ASN A 78 7.695 3.499 7.666 1.00 0.00 O ATOM 981 CB ASN A 78 4.505 3.731 8.681 1.00 0.00 C ATOM 982 CG ASN A 78 3.702 3.742 9.965 1.00 0.00 C ATOM 983 OD1 ASN A 78 3.547 4.782 10.607 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.186 2.586 10.347 1.00 0.00 N ATOM 0 H ASN A 78 6.098 5.285 6.894 1.00 0.00 H new ATOM 0 HA ASN A 78 5.859 4.965 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.910 4.167 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.719 2.701 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.635 2.532 11.204 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.339 1.749 9.785 1.00 0.00 H new ATOM 991 N ASP A 79 7.180 2.759 9.746 1.00 0.00 N ATOM 992 CA ASP A 79 8.315 1.850 9.896 1.00 0.00 C ATOM 993 C ASP A 79 8.088 0.539 9.130 1.00 0.00 C ATOM 994 O ASP A 79 7.089 0.389 8.427 1.00 0.00 O ATOM 995 CB ASP A 79 8.494 1.573 11.391 1.00 0.00 C ATOM 996 CG ASP A 79 9.877 1.098 11.768 1.00 0.00 C ATOM 997 OD1 ASP A 79 10.759 1.946 11.992 1.00 0.00 O ATOM 998 OD2 ASP A 79 10.070 -0.128 11.882 1.00 0.00 O ATOM 0 H ASP A 79 6.535 2.736 10.536 1.00 0.00 H new ATOM 0 HA ASP A 79 9.212 2.309 9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.270 2.483 11.948 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.767 0.822 11.700 1.00 0.00 H new ATOM 1003 N ILE A 80 9.008 -0.416 9.287 1.00 0.00 N ATOM 1004 CA ILE A 80 8.924 -1.692 8.575 1.00 0.00 C ATOM 1005 C ILE A 80 8.188 -2.730 9.403 1.00 0.00 C ATOM 1006 O ILE A 80 8.287 -2.739 10.630 1.00 0.00 O ATOM 1007 CB ILE A 80 10.310 -2.270 8.208 1.00 0.00 C ATOM 1008 CG1 ILE A 80 11.436 -1.352 8.681 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.404 -2.496 6.708 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.105 -1.814 9.961 1.00 0.00 C ATOM 0 H ILE A 80 9.818 -0.329 9.900 1.00 0.00 H new ATOM 0 HA ILE A 80 8.381 -1.477 7.655 1.00 0.00 H new ATOM 0 HB ILE A 80 10.423 -3.227 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.188 -1.280 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.036 -0.350 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.385 -2.903 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.631 -3.199 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.264 -1.548 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.893 -1.112 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.367 -1.859 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.537 -2.803 9.809 1.00 0.00 H new ATOM 1022 N ASP A 81 7.469 -3.608 8.713 1.00 0.00 N ATOM 1023 CA ASP A 81 6.650 -4.641 9.347 1.00 0.00 C ATOM 1024 C ASP A 81 5.593 -4.002 10.231 1.00 0.00 C ATOM 1025 O ASP A 81 5.389 -4.403 11.380 1.00 0.00 O ATOM 1026 CB ASP A 81 7.505 -5.625 10.150 1.00 0.00 C ATOM 1027 CG ASP A 81 7.069 -7.058 9.931 1.00 0.00 C ATOM 1028 OD1 ASP A 81 7.198 -7.558 8.793 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.581 -7.693 10.889 1.00 0.00 O ATOM 0 H ASP A 81 7.436 -3.626 7.694 1.00 0.00 H new ATOM 0 HA ASP A 81 6.155 -5.208 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.551 -5.516 9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.438 -5.383 11.211 1.00 0.00 H new ATOM 1034 N LYS A 82 4.916 -3.007 9.672 1.00 0.00 N ATOM 1035 CA LYS A 82 3.923 -2.240 10.412 1.00 0.00 C ATOM 1036 C LYS A 82 2.636 -2.097 9.616 1.00 0.00 C ATOM 1037 O LYS A 82 2.665 -1.795 8.419 1.00 0.00 O ATOM 1038 CB LYS A 82 4.461 -0.847 10.758 1.00 0.00 C ATOM 1039 CG LYS A 82 5.001 -0.736 12.172 1.00 0.00 C ATOM 1040 CD LYS A 82 6.507 -0.926 12.196 1.00 0.00 C ATOM 1041 CE LYS A 82 6.998 -1.451 13.530 1.00 0.00 C ATOM 1042 NZ LYS A 82 8.478 -1.621 13.543 1.00 0.00 N ATOM 0 H LYS A 82 5.038 -2.711 8.703 1.00 0.00 H new ATOM 0 HA LYS A 82 3.711 -2.784 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.252 -0.588 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.664 -0.116 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.747 0.240 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.526 -1.485 12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.796 -1.619 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.995 0.025 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.704 -0.763 14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.520 -2.407 13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.864 -1.237 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.712 -2.632 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.893 -1.112 12.736 1.00 0.00 H new ATOM 1056 N PRO A 83 1.491 -2.339 10.268 1.00 0.00 N ATOM 1057 CA PRO A 83 0.178 -2.138 9.680 1.00 0.00 C ATOM 1058 C PRO A 83 -0.313 -0.702 9.849 1.00 0.00 C ATOM 1059 O PRO A 83 -0.418 -0.199 10.970 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.725 -3.102 10.467 1.00 0.00 C ATOM 1061 CG PRO A 83 0.116 -3.666 11.577 1.00 0.00 C ATOM 1062 CD PRO A 83 1.377 -2.849 11.635 1.00 0.00 C ATOM 0 HA PRO A 83 0.183 -2.321 8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.595 -2.580 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.099 -3.897 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.417 -3.619 12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.345 -4.715 11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.304 -2.042 12.364 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.239 -3.454 11.915 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.598 -0.045 8.737 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.135 1.307 8.763 1.00 0.00 C ATOM 1072 C LEU A 84 -2.631 1.265 9.038 1.00 0.00 C ATOM 1073 O LEU A 84 -3.350 0.464 8.447 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.871 2.011 7.427 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.560 3.510 7.518 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -1.834 4.312 7.745 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.447 3.787 8.623 1.00 0.00 C ATOM 0 H LEU A 84 -0.466 -0.427 7.801 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.640 1.865 9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.036 1.514 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.744 1.877 6.788 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.122 3.822 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.590 5.373 7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.522 4.145 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.304 3.993 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.652 4.857 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.040 3.454 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.372 3.249 8.416 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.077 2.090 9.976 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.496 2.237 10.262 1.00 0.00 C ATOM 1091 C LYS A 85 -4.839 3.711 10.443 1.00 0.00 C ATOM 1092 O LYS A 85 -4.182 4.419 11.212 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.879 1.450 11.516 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.238 0.778 11.416 1.00 0.00 C ATOM 1095 CD LYS A 85 -6.866 0.590 12.784 1.00 0.00 C ATOM 1096 CE LYS A 85 -8.299 1.093 12.813 1.00 0.00 C ATOM 1097 NZ LYS A 85 -8.707 1.514 14.180 1.00 0.00 N ATOM 0 H LYS A 85 -2.471 2.671 10.555 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.063 1.839 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.120 0.691 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.877 2.123 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.898 1.380 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.131 -0.190 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.845 -0.466 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.278 1.122 13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.403 1.934 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.967 0.308 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.588 2.064 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.861 0.672 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.958 2.100 14.601 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.857 4.172 9.733 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.297 5.555 9.844 1.00 0.00 C ATOM 1113 C TYR A 86 -7.783 5.616 10.174 1.00 0.00 C ATOM 1114 O TYR A 86 -8.615 5.090 9.439 1.00 0.00 O ATOM 1115 CB TYR A 86 -6.007 6.317 8.548 1.00 0.00 C ATOM 1116 CG TYR A 86 -5.019 7.451 8.717 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.749 7.224 9.232 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -5.356 8.750 8.359 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -2.847 8.257 9.390 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -4.458 9.790 8.513 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.205 9.537 9.027 1.00 0.00 C ATOM 1122 OH TYR A 86 -2.304 10.566 9.183 1.00 0.00 O ATOM 0 H TYR A 86 -6.394 3.609 9.074 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.742 6.028 10.654 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.622 5.619 7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.942 6.717 8.155 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.462 6.222 9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.336 8.951 7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.865 8.063 9.796 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.737 10.795 8.232 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.710 11.405 8.879 1.00 0.00 H new ATOM 1132 N GLU A 87 -8.109 6.263 11.282 1.00 0.00 N ATOM 1133 CA GLU A 87 -9.486 6.339 11.749 1.00 0.00 C ATOM 1134 C GLU A 87 -10.295 7.318 10.899 1.00 0.00 C ATOM 1135 O GLU A 87 -11.485 7.104 10.647 1.00 0.00 O ATOM 1136 CB GLU A 87 -9.515 6.770 13.217 1.00 0.00 C ATOM 1137 CG GLU A 87 -10.425 5.921 14.093 1.00 0.00 C ATOM 1138 CD GLU A 87 -9.817 4.579 14.443 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -8.745 4.551 15.079 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -10.415 3.540 14.091 1.00 0.00 O ATOM 0 H GLU A 87 -7.436 6.745 11.878 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.937 5.351 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.502 6.730 13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.839 7.809 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.648 6.464 15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.373 5.762 13.578 1.00 0.00 H new ATOM 1147 N ASP A 88 -9.644 8.388 10.467 1.00 0.00 N ATOM 1148 CA ASP A 88 -10.299 9.429 9.683 1.00 0.00 C ATOM 1149 C ASP A 88 -9.260 10.203 8.864 1.00 0.00 C ATOM 1150 O ASP A 88 -8.111 10.339 9.286 1.00 0.00 O ATOM 1151 CB ASP A 88 -11.083 10.363 10.623 1.00 0.00 C ATOM 1152 CG ASP A 88 -11.009 11.823 10.227 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -11.622 12.197 9.209 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -10.329 12.599 10.929 1.00 0.00 O ATOM 0 H ASP A 88 -8.655 8.560 10.647 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.002 8.976 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.128 10.053 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.699 10.250 11.637 1.00 0.00 H new ATOM 1159 N TYR A 89 -9.659 10.695 7.692 1.00 0.00 N ATOM 1160 CA TYR A 89 -8.725 11.365 6.784 1.00 0.00 C ATOM 1161 C TYR A 89 -8.799 12.886 6.914 1.00 0.00 C ATOM 1162 O TYR A 89 -8.173 13.610 6.133 1.00 0.00 O ATOM 1163 CB TYR A 89 -8.996 10.978 5.327 1.00 0.00 C ATOM 1164 CG TYR A 89 -9.646 9.626 5.131 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -8.891 8.460 5.136 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -11.015 9.520 4.921 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -9.481 7.229 4.935 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -11.612 8.291 4.723 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.840 7.149 4.731 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.429 5.924 4.525 1.00 0.00 O ATOM 0 H TYR A 89 -10.618 10.643 7.349 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.726 11.035 7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.634 11.739 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.052 10.992 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.825 8.518 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.622 10.413 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.879 6.332 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.678 8.225 4.563 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.920 5.233 4.998 1.00 0.00 H new ATOM 1180 N TYR A 90 -9.584 13.354 7.883 1.00 0.00 N ATOM 1181 CA TYR A 90 -9.716 14.779 8.203 1.00 0.00 C ATOM 1182 C TYR A 90 -10.549 15.523 7.158 1.00 0.00 C ATOM 1183 O TYR A 90 -11.612 16.056 7.472 1.00 0.00 O ATOM 1184 CB TYR A 90 -8.342 15.445 8.364 1.00 0.00 C ATOM 1185 CG TYR A 90 -7.449 14.763 9.378 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -7.714 14.857 10.738 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -6.344 14.022 8.974 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -6.903 14.237 11.668 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -5.528 13.398 9.897 1.00 0.00 C ATOM 1190 CZ TYR A 90 -5.812 13.507 11.241 1.00 0.00 C ATOM 1191 OH TYR A 90 -4.998 12.888 12.164 1.00 0.00 O ATOM 0 H TYR A 90 -10.153 12.750 8.476 1.00 0.00 H new ATOM 0 HA TYR A 90 -10.242 14.841 9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.838 15.455 7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -8.485 16.484 8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.569 15.425 11.074 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.120 13.933 7.921 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.121 14.323 12.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.672 12.828 9.567 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.277 12.415 11.699 1.00 0.00 H new ATOM 1201 N THR A 91 -10.070 15.552 5.921 1.00 0.00 N ATOM 1202 CA THR A 91 -10.737 16.298 4.859 1.00 0.00 C ATOM 1203 C THR A 91 -11.081 15.401 3.671 1.00 0.00 C ATOM 1204 O THR A 91 -10.271 15.241 2.752 1.00 0.00 O ATOM 1205 CB THR A 91 -9.857 17.466 4.376 1.00 0.00 C ATOM 1206 OG1 THR A 91 -8.873 17.772 5.375 1.00 0.00 O ATOM 1207 CG2 THR A 91 -10.699 18.699 4.089 1.00 0.00 C ATOM 0 H THR A 91 -9.222 15.068 5.627 1.00 0.00 H new ATOM 0 HA THR A 91 -11.664 16.690 5.278 1.00 0.00 H new ATOM 0 HB THR A 91 -9.362 17.167 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.313 18.514 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 91 -10.054 19.509 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.430 18.468 3.314 1.00 0.00 H new ATOM 0 HG23 THR A 91 -11.218 19.005 4.997 1.00 0.00 H new ATOM 1215 N SER A 92 -12.279 14.817 3.710 1.00 0.00 N ATOM 1216 CA SER A 92 -12.779 13.968 2.626 1.00 0.00 C ATOM 1217 C SER A 92 -11.837 12.792 2.347 1.00 0.00 C ATOM 1218 O SER A 92 -11.047 12.400 3.209 1.00 0.00 O ATOM 1219 CB SER A 92 -12.992 14.807 1.360 1.00 0.00 C ATOM 1220 OG SER A 92 -13.879 15.886 1.613 1.00 0.00 O ATOM 0 H SER A 92 -12.928 14.918 4.490 1.00 0.00 H new ATOM 0 HA SER A 92 -13.735 13.548 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.035 15.192 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.394 14.179 0.565 1.00 0.00 H new ATOM 0 HG SER A 92 -14.000 16.409 0.793 1.00 0.00 H new ATOM 1226 N GLY A 93 -11.940 12.222 1.153 1.00 0.00 N ATOM 1227 CA GLY A 93 -11.086 11.117 0.781 1.00 0.00 C ATOM 1228 C GLY A 93 -10.634 11.195 -0.663 1.00 0.00 C ATOM 1229 O GLY A 93 -11.310 10.690 -1.562 1.00 0.00 O ATOM 0 H GLY A 93 -12.604 12.509 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.212 11.102 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.619 10.180 0.942 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.494 11.840 -0.886 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.893 11.913 -2.215 1.00 0.00 C ATOM 1235 C LEU A 94 -8.274 10.561 -2.573 1.00 0.00 C ATOM 1236 O LEU A 94 -8.427 9.593 -1.832 1.00 0.00 O ATOM 1237 CB LEU A 94 -7.832 13.022 -2.253 1.00 0.00 C ATOM 1238 CG LEU A 94 -7.438 13.511 -3.651 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -8.537 14.376 -4.248 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -6.121 14.273 -3.597 1.00 0.00 C ATOM 0 H LEU A 94 -8.964 12.323 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.663 12.151 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.200 13.873 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.936 12.661 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.305 12.641 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.237 14.712 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.456 13.795 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.707 15.241 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.856 14.613 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.226 15.134 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.337 13.618 -3.217 1.00 0.00 H new ATOM 1252 N SER A 95 -7.593 10.483 -3.705 1.00 0.00 N ATOM 1253 CA SER A 95 -6.910 9.260 -4.085 1.00 0.00 C ATOM 1254 C SER A 95 -5.695 9.032 -3.185 1.00 0.00 C ATOM 1255 O SER A 95 -4.779 9.853 -3.142 1.00 0.00 O ATOM 1256 CB SER A 95 -6.484 9.337 -5.555 1.00 0.00 C ATOM 1257 OG SER A 95 -7.372 10.161 -6.300 1.00 0.00 O ATOM 0 H SER A 95 -7.499 11.248 -4.373 1.00 0.00 H new ATOM 0 HA SER A 95 -7.591 8.418 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.471 9.733 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.465 8.335 -5.985 1.00 0.00 H new ATOM 0 HG SER A 95 -7.079 10.196 -7.235 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.703 7.917 -2.465 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.613 7.581 -1.557 1.00 0.00 C ATOM 1265 C TRP A 96 -3.735 6.507 -2.179 1.00 0.00 C ATOM 1266 O TRP A 96 -4.161 5.793 -3.091 1.00 0.00 O ATOM 1267 CB TRP A 96 -5.142 7.078 -0.205 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.841 8.119 0.624 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.162 8.450 0.573 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.263 8.948 1.642 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.439 9.441 1.483 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.292 9.761 2.153 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.976 9.085 2.168 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.073 10.696 3.163 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.760 10.011 3.172 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -4.805 10.805 3.661 1.00 0.00 C ATOM 0 H TRP A 96 -6.455 7.228 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.033 8.487 -1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.832 6.253 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.307 6.676 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.887 7.998 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.353 9.869 1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.164 8.478 1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -6.876 11.312 3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.769 10.124 3.586 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.605 11.518 4.447 1.00 0.00 H new ATOM 1287 N ILE A 97 -2.519 6.387 -1.681 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.580 5.410 -2.197 1.00 0.00 C ATOM 1289 C ILE A 97 -0.668 4.894 -1.090 1.00 0.00 C ATOM 1290 O ILE A 97 -0.376 5.603 -0.123 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.728 6.013 -3.337 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.011 4.902 -4.124 1.00 0.00 C ATOM 1293 CG2 ILE A 97 0.259 7.034 -2.783 1.00 0.00 C ATOM 1294 CD1 ILE A 97 1.501 4.931 -4.016 1.00 0.00 C ATOM 0 H ILE A 97 -2.157 6.957 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.158 4.575 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.389 6.533 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.369 3.935 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.289 4.981 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.851 7.448 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.287 7.836 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.921 6.548 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.923 4.114 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.875 5.881 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.793 4.819 -2.972 1.00 0.00 H new ATOM 1306 N TRP A 98 -0.249 3.649 -1.225 1.00 0.00 N ATOM 1307 CA TRP A 98 0.726 3.076 -0.322 1.00 0.00 C ATOM 1308 C TRP A 98 2.108 3.181 -0.947 1.00 0.00 C ATOM 1309 O TRP A 98 2.526 2.320 -1.723 1.00 0.00 O ATOM 1310 CB TRP A 98 0.376 1.622 -0.011 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.978 1.470 0.613 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -2.054 0.806 0.095 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.403 2.001 1.874 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -3.120 0.891 0.958 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.746 1.619 2.054 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.780 2.764 2.871 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.474 1.974 3.186 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -1.505 3.108 3.990 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.838 2.713 4.140 1.00 0.00 C ATOM 0 H TRP A 98 -0.572 3.015 -1.956 1.00 0.00 H new ATOM 0 HA TRP A 98 0.719 3.627 0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.414 1.039 -0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.129 1.208 0.660 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.065 0.290 -0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -4.040 0.478 0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.248 3.076 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.505 1.675 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -1.035 3.694 4.766 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.376 3.000 5.031 1.00 0.00 H new ATOM 1330 N LYS A 99 2.786 4.271 -0.639 1.00 0.00 N ATOM 1331 CA LYS A 99 4.098 4.553 -1.198 1.00 0.00 C ATOM 1332 C LYS A 99 5.154 3.677 -0.531 1.00 0.00 C ATOM 1333 O LYS A 99 5.219 3.618 0.699 1.00 0.00 O ATOM 1334 CB LYS A 99 4.425 6.030 -0.969 1.00 0.00 C ATOM 1335 CG LYS A 99 4.749 6.819 -2.225 1.00 0.00 C ATOM 1336 CD LYS A 99 5.684 7.979 -1.907 1.00 0.00 C ATOM 1337 CE LYS A 99 6.657 8.261 -3.039 1.00 0.00 C ATOM 1338 NZ LYS A 99 7.795 9.105 -2.587 1.00 0.00 N ATOM 0 H LYS A 99 2.445 4.985 0.004 1.00 0.00 H new ATOM 0 HA LYS A 99 4.094 4.336 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.577 6.501 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.273 6.097 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.212 6.164 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.829 7.199 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.095 8.874 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.242 7.754 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.037 7.320 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.133 8.762 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.189 9.620 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.461 9.785 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.531 8.500 -2.170 1.00 0.00 H new ATOM 1352 N ILE A 100 5.991 3.005 -1.327 1.00 0.00 N ATOM 1353 CA ILE A 100 7.038 2.129 -0.739 1.00 0.00 C ATOM 1354 C ILE A 100 8.432 2.328 -1.335 1.00 0.00 C ATOM 1355 O ILE A 100 8.749 1.784 -2.387 1.00 0.00 O ATOM 1356 CB ILE A 100 6.712 0.640 -0.861 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.246 0.357 -0.568 1.00 0.00 C ATOM 1358 CG2 ILE A 100 7.604 -0.139 0.083 1.00 0.00 C ATOM 1359 CD1 ILE A 100 4.701 -0.767 -1.408 1.00 0.00 C ATOM 0 H ILE A 100 5.977 3.039 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 100 7.045 2.436 0.307 1.00 0.00 H new ATOM 0 HB ILE A 100 6.897 0.326 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.130 0.108 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.661 1.259 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.378 -1.202 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.648 0.031 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.428 0.193 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.652 -0.930 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.790 -0.509 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.266 -1.677 -1.208 1.00 0.00 H new ATOM 1371 N LYS A 101 9.269 3.094 -0.646 1.00 0.00 N ATOM 1372 CA LYS A 101 10.664 3.254 -1.050 1.00 0.00 C ATOM 1373 C LYS A 101 11.495 2.240 -0.283 1.00 0.00 C ATOM 1374 O LYS A 101 11.361 2.114 0.936 1.00 0.00 O ATOM 1375 CB LYS A 101 11.158 4.679 -0.758 1.00 0.00 C ATOM 1376 CG LYS A 101 12.590 4.945 -1.214 1.00 0.00 C ATOM 1377 CD LYS A 101 12.655 5.277 -2.698 1.00 0.00 C ATOM 1378 CE LYS A 101 13.382 6.588 -2.958 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.477 7.763 -2.836 1.00 0.00 N ATOM 0 H LYS A 101 9.009 3.613 0.193 1.00 0.00 H new ATOM 0 HA LYS A 101 10.759 3.088 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.493 5.391 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.089 4.864 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.008 5.770 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.206 4.069 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.162 4.470 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.644 5.337 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.206 6.691 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.818 6.569 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.029 8.638 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.753 7.722 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.015 7.750 -1.904 1.00 0.00 H new ATOM 1393 N ASN A 102 12.344 1.515 -0.981 1.00 0.00 N ATOM 1394 CA ASN A 102 13.019 0.384 -0.368 1.00 0.00 C ATOM 1395 C ASN A 102 14.478 0.657 -0.058 1.00 0.00 C ATOM 1396 O ASN A 102 15.275 0.929 -0.961 1.00 0.00 O ATOM 1397 CB ASN A 102 12.926 -0.845 -1.258 1.00 0.00 C ATOM 1398 CG ASN A 102 13.862 -1.956 -0.807 1.00 0.00 C ATOM 1399 OD1 ASN A 102 13.506 -2.770 0.035 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.065 -1.997 -1.366 1.00 0.00 N ATOM 0 H ASN A 102 12.583 1.682 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 102 12.505 0.207 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.900 -1.214 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.164 -0.566 -2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.728 -2.724 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.327 -1.301 -2.065 1.00 0.00 H new ATOM 1407 N ASN A 103 14.793 0.579 1.230 1.00 0.00 N ATOM 1408 CA ASN A 103 16.159 0.452 1.716 1.00 0.00 C ATOM 1409 C ASN A 103 17.053 1.569 1.220 1.00 0.00 C ATOM 1410 O ASN A 103 16.998 2.694 1.719 1.00 0.00 O ATOM 1411 CB ASN A 103 16.742 -0.902 1.302 1.00 0.00 C ATOM 1412 CG ASN A 103 17.162 -1.747 2.486 1.00 0.00 C ATOM 1413 OD1 ASN A 103 18.330 -2.107 2.626 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.214 -2.062 3.351 1.00 0.00 N ATOM 0 H ASN A 103 14.096 0.603 1.975 1.00 0.00 H new ATOM 0 HA ASN A 103 16.121 0.521 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.002 -1.447 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.603 -0.739 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.439 -2.624 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.257 -1.743 3.198 1.00 0.00 H new ATOM 1421 N SER A 104 17.842 1.245 0.211 1.00 0.00 N ATOM 1422 CA SER A 104 18.928 2.097 -0.231 1.00 0.00 C ATOM 1423 C SER A 104 19.720 1.407 -1.340 1.00 0.00 C ATOM 1424 O SER A 104 19.267 1.327 -2.473 1.00 0.00 O ATOM 1425 CB SER A 104 19.839 2.406 0.954 1.00 0.00 C ATOM 1426 OG SER A 104 19.582 3.698 1.474 1.00 0.00 O ATOM 0 H SER A 104 17.746 0.382 -0.325 1.00 0.00 H new ATOM 0 HA SER A 104 18.521 3.028 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.690 1.660 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.881 2.337 0.643 1.00 0.00 H new ATOM 0 HG SER A 104 18.639 3.765 1.733 1.00 0.00 H new ATOM 1432 N SER A 105 20.892 0.890 -1.004 1.00 0.00 N ATOM 1433 CA SER A 105 21.736 0.219 -1.981 1.00 0.00 C ATOM 1434 C SER A 105 21.411 -1.271 -2.058 1.00 0.00 C ATOM 1435 O SER A 105 21.608 -1.911 -3.091 1.00 0.00 O ATOM 1436 CB SER A 105 23.196 0.414 -1.590 1.00 0.00 C ATOM 1437 OG SER A 105 23.322 0.552 -0.180 1.00 0.00 O ATOM 0 H SER A 105 21.281 0.922 -0.061 1.00 0.00 H new ATOM 0 HA SER A 105 21.551 0.652 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 105 23.786 -0.436 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 105 23.596 1.299 -2.085 1.00 0.00 H new ATOM 0 HG SER A 105 23.553 -0.315 0.214 1.00 0.00 H new ATOM 1443 N GLU A 106 20.896 -1.806 -0.961 1.00 0.00 N ATOM 1444 CA GLU A 106 20.686 -3.240 -0.828 1.00 0.00 C ATOM 1445 C GLU A 106 19.331 -3.661 -1.378 1.00 0.00 C ATOM 1446 O GLU A 106 18.364 -2.895 -1.341 1.00 0.00 O ATOM 1447 CB GLU A 106 20.787 -3.642 0.643 1.00 0.00 C ATOM 1448 CG GLU A 106 22.196 -4.007 1.088 1.00 0.00 C ATOM 1449 CD GLU A 106 23.247 -3.043 0.574 1.00 0.00 C ATOM 1450 OE1 GLU A 106 23.216 -1.855 0.959 1.00 0.00 O ATOM 1451 OE2 GLU A 106 24.112 -3.471 -0.216 1.00 0.00 O ATOM 0 H GLU A 106 20.614 -1.264 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 106 21.458 -3.746 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.423 -2.820 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.128 -4.491 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.233 -4.029 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.432 -5.013 0.740 1.00 0.00 H new ATOM 1458 N THR A 107 19.279 -4.881 -1.892 1.00 0.00 N ATOM 1459 CA THR A 107 18.040 -5.468 -2.366 1.00 0.00 C ATOM 1460 C THR A 107 17.260 -6.077 -1.206 1.00 0.00 C ATOM 1461 O THR A 107 17.845 -6.684 -0.304 1.00 0.00 O ATOM 1462 CB THR A 107 18.322 -6.562 -3.413 1.00 0.00 C ATOM 1463 OG1 THR A 107 19.531 -6.258 -4.123 1.00 0.00 O ATOM 1464 CG2 THR A 107 17.169 -6.688 -4.396 1.00 0.00 C ATOM 0 H THR A 107 20.093 -5.488 -1.991 1.00 0.00 H new ATOM 0 HA THR A 107 17.449 -4.675 -2.825 1.00 0.00 H new ATOM 0 HB THR A 107 18.434 -7.512 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 107 19.706 -6.958 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 107 17.395 -7.467 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 107 16.258 -6.948 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 107 17.026 -5.739 -4.913 1.00 0.00 H new ATOM 1472 N SER A 108 15.948 -5.910 -1.224 1.00 0.00 N ATOM 1473 CA SER A 108 15.093 -6.467 -0.190 1.00 0.00 C ATOM 1474 C SER A 108 13.773 -6.922 -0.797 1.00 0.00 C ATOM 1475 O SER A 108 13.507 -6.698 -1.975 1.00 0.00 O ATOM 1476 CB SER A 108 14.828 -5.427 0.905 1.00 0.00 C ATOM 1477 OG SER A 108 15.971 -4.621 1.142 1.00 0.00 O ATOM 0 H SER A 108 15.450 -5.391 -1.947 1.00 0.00 H new ATOM 0 HA SER A 108 15.600 -7.323 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.990 -4.795 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.540 -5.932 1.827 1.00 0.00 H new ATOM 0 HG SER A 108 15.766 -3.689 0.919 1.00 0.00 H new ATOM 1483 N ASN A 109 12.958 -7.580 -0.002 1.00 0.00 N ATOM 1484 CA ASN A 109 11.617 -7.933 -0.428 1.00 0.00 C ATOM 1485 C ASN A 109 10.615 -7.260 0.489 1.00 0.00 C ATOM 1486 O ASN A 109 10.775 -7.267 1.712 1.00 0.00 O ATOM 1487 CB ASN A 109 11.409 -9.459 -0.435 1.00 0.00 C ATOM 1488 CG ASN A 109 10.713 -9.978 0.810 1.00 0.00 C ATOM 1489 OD1 ASN A 109 11.329 -10.107 1.863 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.427 -10.277 0.699 1.00 0.00 N ATOM 0 H ASN A 109 13.198 -7.882 0.942 1.00 0.00 H new ATOM 0 HA ASN A 109 11.470 -7.586 -1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 109 10.823 -9.734 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.377 -9.950 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.914 -10.628 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.950 -10.156 -0.195 1.00 0.00 H new ATOM 1497 N TYR A 110 9.604 -6.648 -0.088 1.00 0.00 N ATOM 1498 CA TYR A 110 8.547 -6.083 0.715 1.00 0.00 C ATOM 1499 C TYR A 110 7.281 -6.892 0.518 1.00 0.00 C ATOM 1500 O TYR A 110 7.129 -7.583 -0.486 1.00 0.00 O ATOM 1501 CB TYR A 110 8.320 -4.580 0.426 1.00 0.00 C ATOM 1502 CG TYR A 110 8.046 -4.184 -1.027 1.00 0.00 C ATOM 1503 CD1 TYR A 110 7.448 -5.062 -1.922 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.365 -2.901 -1.490 1.00 0.00 C ATOM 1505 CE1 TYR A 110 7.174 -4.691 -3.219 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.093 -2.518 -2.789 1.00 0.00 C ATOM 1507 CZ TYR A 110 7.494 -3.416 -3.653 1.00 0.00 C ATOM 1508 OH TYR A 110 7.222 -3.046 -4.949 1.00 0.00 O ATOM 0 H TYR A 110 9.493 -6.531 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 110 8.846 -6.138 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.480 -4.242 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.200 -4.033 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.192 -6.058 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.833 -2.197 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 110 6.710 -5.393 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.346 -1.524 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 110 7.507 -2.119 -5.091 1.00 0.00 H new ATOM 1518 N SER A 111 6.409 -6.859 1.493 1.00 0.00 N ATOM 1519 CA SER A 111 5.122 -7.497 1.361 1.00 0.00 C ATOM 1520 C SER A 111 4.044 -6.526 1.772 1.00 0.00 C ATOM 1521 O SER A 111 3.822 -6.291 2.957 1.00 0.00 O ATOM 1522 CB SER A 111 5.056 -8.770 2.202 1.00 0.00 C ATOM 1523 OG SER A 111 3.873 -9.512 1.931 1.00 0.00 O ATOM 0 H SER A 111 6.566 -6.397 2.389 1.00 0.00 H new ATOM 0 HA SER A 111 4.970 -7.784 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.930 -9.389 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.090 -8.511 3.260 1.00 0.00 H new ATOM 0 HG SER A 111 3.112 -9.089 2.380 1.00 0.00 H new ATOM 1529 N LEU A 112 3.416 -5.925 0.785 1.00 0.00 N ATOM 1530 CA LEU A 112 2.332 -5.006 1.042 1.00 0.00 C ATOM 1531 C LEU A 112 1.027 -5.775 1.065 1.00 0.00 C ATOM 1532 O LEU A 112 0.476 -6.095 0.014 1.00 0.00 O ATOM 1533 CB LEU A 112 2.289 -3.912 -0.029 1.00 0.00 C ATOM 1534 CG LEU A 112 1.829 -2.526 0.446 1.00 0.00 C ATOM 1535 CD1 LEU A 112 0.311 -2.440 0.475 1.00 0.00 C ATOM 1536 CD2 LEU A 112 2.411 -2.197 1.817 1.00 0.00 C ATOM 0 H LEU A 112 3.638 -6.057 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 112 2.488 -4.525 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.285 -3.814 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.625 -4.239 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 112 2.200 -1.789 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.009 -1.449 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.083 -2.616 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.083 -3.193 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.070 -1.210 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.080 -2.942 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.500 -2.204 1.761 1.00 0.00 H new ATOM 1548 N ASP A 113 0.554 -6.091 2.259 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.707 -6.798 2.405 1.00 0.00 C ATOM 1550 C ASP A 113 -1.799 -5.797 2.737 1.00 0.00 C ATOM 1551 O ASP A 113 -1.857 -5.275 3.854 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.662 -7.888 3.497 1.00 0.00 C ATOM 1553 CG ASP A 113 0.687 -8.587 3.682 1.00 0.00 C ATOM 1554 OD1 ASP A 113 1.564 -8.505 2.795 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.864 -9.251 4.733 1.00 0.00 O ATOM 0 H ASP A 113 1.022 -5.870 3.138 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.910 -7.301 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.950 -7.437 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.412 -8.643 3.262 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.645 -5.502 1.763 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.711 -4.529 1.953 1.00 0.00 C ATOM 1562 C ALA A 114 -5.077 -5.156 1.714 1.00 0.00 C ATOM 1563 O ALA A 114 -5.270 -5.904 0.756 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.507 -3.337 1.029 1.00 0.00 C ATOM 0 H ALA A 114 -2.615 -5.921 0.834 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.675 -4.186 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.311 -2.617 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.550 -2.865 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.514 -3.675 -0.007 1.00 0.00 H new ATOM 1570 N THR A 115 -6.023 -4.845 2.584 1.00 0.00 N ATOM 1571 CA THR A 115 -7.378 -5.346 2.453 1.00 0.00 C ATOM 1572 C THR A 115 -8.217 -4.387 1.619 1.00 0.00 C ATOM 1573 O THR A 115 -8.533 -3.278 2.056 1.00 0.00 O ATOM 1574 CB THR A 115 -8.024 -5.530 3.835 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.056 -5.258 4.859 1.00 0.00 O ATOM 1576 CG2 THR A 115 -8.559 -6.943 4.006 1.00 0.00 C ATOM 0 H THR A 115 -5.874 -4.243 3.394 1.00 0.00 H new ATOM 0 HA THR A 115 -7.336 -6.314 1.953 1.00 0.00 H new ATOM 0 HB THR A 115 -8.859 -4.834 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.470 -5.374 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.010 -7.044 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.310 -7.143 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.741 -7.656 3.906 1.00 0.00 H new ATOM 1584 N VAL A 116 -8.560 -4.811 0.412 1.00 0.00 N ATOM 1585 CA VAL A 116 -9.294 -3.965 -0.515 1.00 0.00 C ATOM 1586 C VAL A 116 -10.578 -4.647 -0.964 1.00 0.00 C ATOM 1587 O VAL A 116 -10.730 -5.861 -0.824 1.00 0.00 O ATOM 1588 CB VAL A 116 -8.445 -3.625 -1.758 1.00 0.00 C ATOM 1589 CG1 VAL A 116 -7.266 -2.739 -1.381 1.00 0.00 C ATOM 1590 CG2 VAL A 116 -7.965 -4.894 -2.454 1.00 0.00 C ATOM 0 H VAL A 116 -8.341 -5.739 0.051 1.00 0.00 H new ATOM 0 HA VAL A 116 -9.535 -3.042 0.013 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.076 -3.075 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -6.682 -2.512 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.634 -1.811 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.637 -3.258 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.369 -4.627 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.357 -5.479 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -8.826 -5.484 -2.769 1.00 0.00 H new ATOM 1600 N HIS A 117 -11.505 -3.869 -1.499 1.00 0.00 N ATOM 1601 CA HIS A 117 -12.732 -4.426 -2.041 1.00 0.00 C ATOM 1602 C HIS A 117 -12.648 -4.480 -3.556 1.00 0.00 C ATOM 1603 O HIS A 117 -13.456 -3.879 -4.260 1.00 0.00 O ATOM 1604 CB HIS A 117 -13.950 -3.616 -1.605 1.00 0.00 C ATOM 1605 CG HIS A 117 -15.169 -4.457 -1.384 1.00 0.00 C ATOM 1606 ND1 HIS A 117 -15.131 -5.677 -0.748 1.00 0.00 N ATOM 1607 CD2 HIS A 117 -16.464 -4.253 -1.725 1.00 0.00 C ATOM 1608 CE1 HIS A 117 -16.345 -6.186 -0.704 1.00 0.00 C ATOM 1609 NE2 HIS A 117 -17.177 -5.344 -1.288 1.00 0.00 N ATOM 0 H HIS A 117 -11.431 -2.854 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 117 -12.850 -5.437 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -13.713 -3.082 -0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.168 -2.863 -2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.862 -3.393 -2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -16.615 -7.134 -0.263 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.182 -5.480 -1.397 1.00 0.00 H new ATOM 1618 N ASP A 118 -11.647 -5.193 -4.041 1.00 0.00 N ATOM 1619 CA ASP A 118 -11.432 -5.355 -5.468 1.00 0.00 C ATOM 1620 C ASP A 118 -11.168 -6.822 -5.775 1.00 0.00 C ATOM 1621 O ASP A 118 -10.660 -7.552 -4.922 1.00 0.00 O ATOM 1622 CB ASP A 118 -10.255 -4.496 -5.934 1.00 0.00 C ATOM 1623 CG ASP A 118 -10.178 -4.403 -7.442 1.00 0.00 C ATOM 1624 OD1 ASP A 118 -10.799 -3.487 -8.018 1.00 0.00 O ATOM 1625 OD2 ASP A 118 -9.507 -5.254 -8.057 1.00 0.00 O ATOM 0 H ASP A 118 -10.962 -5.675 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 118 -12.324 -5.029 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.349 -3.495 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.326 -4.916 -5.550 1.00 0.00 H new ATOM 1630 N ASP A 119 -11.521 -7.261 -6.974 1.00 0.00 N ATOM 1631 CA ASP A 119 -11.336 -8.656 -7.355 1.00 0.00 C ATOM 1632 C ASP A 119 -10.544 -8.766 -8.652 1.00 0.00 C ATOM 1633 O ASP A 119 -10.630 -9.763 -9.366 1.00 0.00 O ATOM 1634 CB ASP A 119 -12.686 -9.355 -7.504 1.00 0.00 C ATOM 1635 CG ASP A 119 -12.715 -10.703 -6.807 1.00 0.00 C ATOM 1636 OD1 ASP A 119 -12.665 -10.731 -5.557 1.00 0.00 O ATOM 1637 OD2 ASP A 119 -12.786 -11.737 -7.500 1.00 0.00 O ATOM 0 H ASP A 119 -11.936 -6.675 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.771 -9.148 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.470 -8.719 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.908 -9.491 -8.563 1.00 0.00 H new ATOM 1642 N LYS A 120 -9.786 -7.728 -8.960 1.00 0.00 N ATOM 1643 CA LYS A 120 -8.934 -7.730 -10.137 1.00 0.00 C ATOM 1644 C LYS A 120 -7.482 -7.489 -9.737 1.00 0.00 C ATOM 1645 O LYS A 120 -6.565 -7.975 -10.401 1.00 0.00 O ATOM 1646 CB LYS A 120 -9.391 -6.660 -11.129 1.00 0.00 C ATOM 1647 CG LYS A 120 -9.554 -7.171 -12.554 1.00 0.00 C ATOM 1648 CD LYS A 120 -8.212 -7.381 -13.239 1.00 0.00 C ATOM 1649 CE LYS A 120 -7.327 -6.147 -13.141 1.00 0.00 C ATOM 1650 NZ LYS A 120 -7.178 -5.464 -14.452 1.00 0.00 N ATOM 0 H LYS A 120 -9.743 -6.870 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 120 -9.010 -8.705 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.341 -6.246 -10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -8.669 -5.844 -11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -10.106 -8.111 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -10.148 -6.460 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -7.702 -8.231 -12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.374 -7.629 -14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.752 -5.452 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.344 -6.434 -12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.568 -4.629 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.749 -6.118 -15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -8.113 -5.166 -14.797 1.00 0.00 H new ATOM 1664 N GLU A 121 -7.293 -6.730 -8.659 1.00 0.00 N ATOM 1665 CA GLU A 121 -5.963 -6.438 -8.129 1.00 0.00 C ATOM 1666 C GLU A 121 -5.181 -5.580 -9.125 1.00 0.00 C ATOM 1667 O GLU A 121 -5.683 -4.544 -9.569 1.00 0.00 O ATOM 1668 CB GLU A 121 -5.213 -7.740 -7.813 1.00 0.00 C ATOM 1669 CG GLU A 121 -4.312 -7.656 -6.591 1.00 0.00 C ATOM 1670 CD GLU A 121 -2.893 -8.088 -6.895 1.00 0.00 C ATOM 1671 OE1 GLU A 121 -2.275 -7.505 -7.810 1.00 0.00 O ATOM 1672 OE2 GLU A 121 -2.393 -9.016 -6.227 1.00 0.00 O ATOM 0 H GLU A 121 -8.054 -6.302 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 121 -6.066 -5.878 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -5.940 -8.538 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.610 -8.018 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.306 -6.633 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.719 -8.283 -5.798 1.00 0.00 H new ATOM 1679 N ASP A 122 -3.963 -6.011 -9.463 1.00 0.00 N ATOM 1680 CA ASP A 122 -3.137 -5.351 -10.477 1.00 0.00 C ATOM 1681 C ASP A 122 -2.552 -4.043 -9.953 1.00 0.00 C ATOM 1682 O ASP A 122 -1.353 -3.965 -9.680 1.00 0.00 O ATOM 1683 CB ASP A 122 -3.939 -5.101 -11.764 1.00 0.00 C ATOM 1684 CG ASP A 122 -3.100 -4.532 -12.889 1.00 0.00 C ATOM 1685 OD1 ASP A 122 -2.884 -3.304 -12.918 1.00 0.00 O ATOM 1686 OD2 ASP A 122 -2.683 -5.309 -13.775 1.00 0.00 O ATOM 0 H ASP A 122 -3.522 -6.828 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.310 -6.022 -10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -4.388 -6.038 -12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.757 -4.415 -11.547 1.00 0.00 H new ATOM 1691 N SER A 123 -3.414 -3.037 -9.787 1.00 0.00 N ATOM 1692 CA SER A 123 -3.001 -1.683 -9.412 1.00 0.00 C ATOM 1693 C SER A 123 -2.110 -1.064 -10.495 1.00 0.00 C ATOM 1694 O SER A 123 -2.541 -0.180 -11.240 1.00 0.00 O ATOM 1695 CB SER A 123 -2.276 -1.684 -8.058 1.00 0.00 C ATOM 1696 OG SER A 123 -2.990 -2.435 -7.087 1.00 0.00 O ATOM 0 H SER A 123 -4.421 -3.139 -9.909 1.00 0.00 H new ATOM 0 HA SER A 123 -3.901 -1.075 -9.318 1.00 0.00 H new ATOM 0 HB2 SER A 123 -1.276 -2.101 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 123 -2.153 -0.659 -7.709 1.00 0.00 H new ATOM 0 HG SER A 123 -2.666 -3.360 -7.085 1.00 0.00 H new ATOM 1702 N ASP A 124 -0.880 -1.553 -10.566 1.00 0.00 N ATOM 1703 CA ASP A 124 0.106 -1.140 -11.554 1.00 0.00 C ATOM 1704 C ASP A 124 1.339 -2.009 -11.381 1.00 0.00 C ATOM 1705 O ASP A 124 1.413 -3.102 -11.942 1.00 0.00 O ATOM 1706 CB ASP A 124 0.478 0.342 -11.411 1.00 0.00 C ATOM 1707 CG ASP A 124 1.192 0.876 -12.641 1.00 0.00 C ATOM 1708 OD1 ASP A 124 2.018 0.143 -13.226 1.00 0.00 O ATOM 1709 OD2 ASP A 124 0.925 2.028 -13.040 1.00 0.00 O ATOM 0 H ASP A 124 -0.532 -2.264 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 124 -0.318 -1.263 -12.550 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -0.425 0.926 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.117 0.472 -10.537 1.00 0.00 H new ATOM 1714 N VAL A 125 2.297 -1.516 -10.592 1.00 0.00 N ATOM 1715 CA VAL A 125 3.488 -2.278 -10.208 1.00 0.00 C ATOM 1716 C VAL A 125 4.471 -2.448 -11.378 1.00 0.00 C ATOM 1717 O VAL A 125 5.674 -2.238 -11.220 1.00 0.00 O ATOM 1718 CB VAL A 125 3.102 -3.657 -9.608 1.00 0.00 C ATOM 1719 CG1 VAL A 125 4.205 -4.697 -9.806 1.00 0.00 C ATOM 1720 CG2 VAL A 125 2.767 -3.509 -8.133 1.00 0.00 C ATOM 0 H VAL A 125 2.268 -0.575 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 125 3.998 -1.699 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 125 2.222 -4.015 -10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.892 -5.646 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.392 -4.830 -10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.118 -4.357 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.498 -4.482 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.634 -3.117 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.929 -2.822 -8.017 1.00 0.00 H new ATOM 1730 N LEU A 126 3.953 -2.810 -12.548 1.00 0.00 N ATOM 1731 CA LEU A 126 4.782 -3.066 -13.721 1.00 0.00 C ATOM 1732 C LEU A 126 5.461 -1.789 -14.211 1.00 0.00 C ATOM 1733 O LEU A 126 6.577 -1.830 -14.730 1.00 0.00 O ATOM 1734 CB LEU A 126 3.940 -3.685 -14.838 1.00 0.00 C ATOM 1735 CG LEU A 126 4.127 -5.194 -15.035 1.00 0.00 C ATOM 1736 CD1 LEU A 126 5.604 -5.540 -15.129 1.00 0.00 C ATOM 1737 CD2 LEU A 126 3.467 -5.966 -13.903 1.00 0.00 C ATOM 0 H LEU A 126 2.953 -2.933 -12.709 1.00 0.00 H new ATOM 0 HA LEU A 126 5.563 -3.770 -13.434 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.888 -3.489 -14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.179 -3.180 -15.774 1.00 0.00 H new ATOM 0 HG LEU A 126 3.647 -5.481 -15.971 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.718 -6.615 -15.269 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.047 -5.015 -15.975 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.108 -5.238 -14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.610 -7.035 -14.060 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.917 -5.675 -12.954 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.401 -5.742 -13.883 1.00 0.00 H new ATOM 1749 N THR A 127 4.791 -0.659 -14.047 1.00 0.00 N ATOM 1750 CA THR A 127 5.396 0.621 -14.367 1.00 0.00 C ATOM 1751 C THR A 127 6.083 1.181 -13.134 1.00 0.00 C ATOM 1752 O THR A 127 5.446 1.802 -12.282 1.00 0.00 O ATOM 1753 CB THR A 127 4.365 1.633 -14.889 1.00 0.00 C ATOM 1754 OG1 THR A 127 3.216 0.943 -15.393 1.00 0.00 O ATOM 1755 CG2 THR A 127 4.967 2.501 -15.982 1.00 0.00 C ATOM 0 H THR A 127 3.835 -0.603 -13.697 1.00 0.00 H new ATOM 0 HA THR A 127 6.124 0.454 -15.161 1.00 0.00 H new ATOM 0 HB THR A 127 4.066 2.277 -14.062 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.515 0.931 -14.708 1.00 0.00 H new ATOM 0 HG21 THR A 127 4.219 3.210 -16.337 1.00 0.00 H new ATOM 0 HG22 THR A 127 5.823 3.045 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 127 5.291 1.871 -16.810 1.00 0.00 H new ATOM 1763 N LYS A 128 7.380 0.925 -13.045 1.00 0.00 N ATOM 1764 CA LYS A 128 8.181 1.329 -11.896 1.00 0.00 C ATOM 1765 C LYS A 128 8.085 2.829 -11.642 1.00 0.00 C ATOM 1766 O LYS A 128 8.272 3.638 -12.551 1.00 0.00 O ATOM 1767 CB LYS A 128 9.647 0.938 -12.106 1.00 0.00 C ATOM 1768 CG LYS A 128 10.002 0.589 -13.545 1.00 0.00 C ATOM 1769 CD LYS A 128 11.495 0.713 -13.799 1.00 0.00 C ATOM 1770 CE LYS A 128 12.273 -0.385 -13.091 1.00 0.00 C ATOM 1771 NZ LYS A 128 13.173 0.159 -12.041 1.00 0.00 N ATOM 0 H LYS A 128 7.907 0.432 -13.766 1.00 0.00 H new ATOM 0 HA LYS A 128 7.785 0.810 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 128 10.281 1.761 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 128 9.878 0.084 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.679 -0.429 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 128 9.461 1.248 -14.224 1.00 0.00 H new ATOM 0 HD2 LYS A 128 11.688 0.664 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 128 11.844 1.687 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 128 11.575 -1.091 -12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.862 -0.941 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.244 -0.522 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.118 0.323 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 12.788 1.057 -11.685 1.00 0.00 H new ATOM 1785 N CYS A 129 7.783 3.192 -10.402 1.00 0.00 N ATOM 1786 CA CYS A 129 7.704 4.594 -10.012 1.00 0.00 C ATOM 1787 C CYS A 129 8.629 4.878 -8.828 1.00 0.00 C ATOM 1788 O CYS A 129 8.214 4.810 -7.666 1.00 0.00 O ATOM 1789 CB CYS A 129 6.261 4.964 -9.663 1.00 0.00 C ATOM 1790 SG CYS A 129 5.101 3.557 -9.696 1.00 0.00 S ATOM 0 H CYS A 129 7.588 2.534 -9.648 1.00 0.00 H new ATOM 0 HA CYS A 129 8.029 5.206 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.243 5.413 -8.670 1.00 0.00 H new ATOM 0 HB3 CYS A 129 5.913 5.724 -10.363 1.00 0.00 H new ATOM 1795 N PRO A 130 9.908 5.176 -9.105 1.00 0.00 N ATOM 1796 CA PRO A 130 10.882 5.515 -8.069 1.00 0.00 C ATOM 1797 C PRO A 130 10.703 6.946 -7.575 1.00 0.00 C ATOM 1798 O PRO A 130 11.523 7.821 -7.855 1.00 0.00 O ATOM 1799 CB PRO A 130 12.223 5.352 -8.784 1.00 0.00 C ATOM 1800 CG PRO A 130 11.930 5.628 -10.218 1.00 0.00 C ATOM 1801 CD PRO A 130 10.505 5.204 -10.456 1.00 0.00 C ATOM 0 HA PRO A 130 10.784 4.890 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 130 12.966 6.046 -8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 130 12.623 4.347 -8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.062 6.686 -10.444 1.00 0.00 H new ATOM 0 HG3 PRO A 130 12.612 5.077 -10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 130 9.984 5.905 -11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.455 4.226 -10.935 1.00 0.00 H new ATOM 1809 N VAL A 131 9.629 7.181 -6.840 1.00 0.00 N ATOM 1810 CA VAL A 131 9.303 8.524 -6.394 1.00 0.00 C ATOM 1811 C VAL A 131 9.731 8.732 -4.948 1.00 0.00 C ATOM 1812 O VAL A 131 9.546 9.853 -4.428 1.00 0.00 O ATOM 1813 CB VAL A 131 7.791 8.826 -6.529 1.00 0.00 C ATOM 1814 CG1 VAL A 131 7.566 10.308 -6.774 1.00 0.00 C ATOM 1815 CG2 VAL A 131 7.161 8.003 -7.646 1.00 0.00 C ATOM 1816 OXT VAL A 131 10.227 7.772 -4.326 1.00 0.00 O ATOM 0 H VAL A 131 8.971 6.462 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 131 9.850 9.212 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 131 7.309 8.547 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.498 10.503 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.968 10.880 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 131 8.070 10.605 -7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 131 6.099 8.237 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.648 8.240 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.285 6.942 -7.430 1.00 0.00 H new TER 1826 VAL A 131