USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 108 LYS NZ :NH3+ -109:sc= -0.935 (180deg=-0.499) USER MOD Set 1.2: A 112 ASN : amide:sc= -1.55 K(o=-2.5,f=-0.0078) USER MOD Set 2.1: A 99 THR OG1 : rot 122:sc= 0.221 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.209 USER MOD Set 3.1: A 87 THR OG1 : rot -70:sc= -0.671! USER MOD Set 3.2: A 109 LYS NZ :NH3+ -109:sc= -0.0271! (180deg=-2.3!) USER MOD Set 4.1: A 49 CYS SG : rot -124:sc= -2.44! USER MOD Set 4.2: A 107 GLN : amide:sc= -3.68! C(o=-6.1!,f=-11!) USER MOD Set 5.1: A 39 SER OG : rot 26:sc= -0.488 USER MOD Set 5.2: A 42 ASN : amide:sc= -8.49! C(o=-26!,f=-17!) USER MOD Set 5.3: A 82 ASN : amide:sc= -17! C(o=-26!,f=-17!) USER MOD Set 6.1: A 16 SER OG : rot 19:sc= -1.43! USER MOD Set 6.2: A 19 ASN : amide:sc= -2.45! C(o=-3.9!,f=-6.3!) USER MOD Single : A 6 SER OG : rot -33:sc= -0.105 USER MOD Single : A 7 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= -0.314 (180deg=-1.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.71 X(o=-2.7,f=-2.7) USER MOD Single : A 23 HIS : no HD1:sc= -8.26! C(o=-8.3!,f=-24!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -101:sc= -2.07 (180deg=-4.83!) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.0963 (180deg=-0.848) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -48:sc= 0.859 USER MOD Single : A 52 TYR OH : rot 16:sc= 0.167 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= -3.93! (180deg=-4.41!) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.6 (180deg=-1.77) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.362 USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= -0.654 (180deg=-2.27) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0264 USER MOD Single : A 70 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.2!) USER MOD Single : A 74 SER OG : rot -145:sc= 0.306 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.967 (180deg=0.948) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -17:sc= 0.133 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 92 SER OG : rot -78:sc= 0.755 USER MOD Single : A 94 ASN : amide:sc= -0.839 K(o=-0.84,f=-1.9!) USER MOD Single : A 95 MET CE :methyl -157:sc= -1.84 (180deg=-3.96) USER MOD Single : A 102 CYS SG : rot -101:sc= -3.61! USER MOD Single : A 114 MET CE :methyl -152:sc= -1.68 (180deg=-2.76) USER MOD Single : A 116 LYS NZ :NH3+ -163:sc=-0.00372 (180deg=-0.302) USER MOD Single : A 118 SER OG : rot -43:sc= 1.13 USER MOD Single : A 119 TYR OH : rot -162:sc= -2.38! USER MOD Single : A 124 LYS NZ :NH3+ 147:sc= -1.39 (180deg=-2.96!) USER MOD Single : A 125 SER OG : rot -52:sc= 0.484 USER MOD Single : A 128 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 132 THR OG1 : rot -159:sc= -2.73! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.014 1.285 -12.440 1.00 15.43 N ATOM 18 CA SER A 6 -12.491 1.404 -12.478 1.00 14.66 C ATOM 19 C SER A 6 -12.965 2.159 -11.235 1.00 13.40 C ATOM 20 O SER A 6 -12.267 2.246 -10.242 1.00 12.58 O ATOM 21 CB SER A 6 -13.104 0.008 -12.496 1.00 15.49 C ATOM 22 OG SER A 6 -12.904 -0.606 -11.231 1.00 15.97 O ATOM 0 HA SER A 6 -12.799 1.947 -13.372 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.169 0.068 -12.720 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.646 -0.593 -13.282 1.00 15.49 H new ATOM 0 HG SER A 6 -12.055 -0.299 -10.849 1.00 15.97 H new ATOM 28 N GLN A 7 -14.139 2.717 -11.289 1.00 13.37 N ATOM 29 CA GLN A 7 -14.667 3.483 -10.125 1.00 12.23 C ATOM 30 C GLN A 7 -14.890 2.552 -8.930 1.00 11.36 C ATOM 31 O GLN A 7 -14.656 2.911 -7.794 1.00 10.97 O ATOM 32 CB GLN A 7 -15.992 4.127 -10.524 1.00 13.19 C ATOM 33 CG GLN A 7 -15.735 5.132 -11.645 1.00 13.36 C ATOM 34 CD GLN A 7 -17.068 5.640 -12.196 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.048 4.922 -12.201 1.00 13.82 O ATOM 36 NE2 GLN A 7 -17.142 6.855 -12.660 1.00 13.77 N ATOM 0 H GLN A 7 -14.762 2.676 -12.095 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.946 4.249 -9.838 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.697 3.365 -10.855 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.442 4.626 -9.666 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.144 5.967 -11.270 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.156 4.664 -12.441 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.317 7.454 -12.654 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -18.025 7.207 -13.029 1.00 13.77 H new ATOM 45 N GLU A 8 -15.368 1.367 -9.175 1.00 13.01 N ATOM 46 CA GLU A 8 -15.639 0.414 -8.057 1.00 12.24 C ATOM 47 C GLU A 8 -14.347 0.051 -7.313 1.00 11.73 C ATOM 48 O GLU A 8 -14.352 -0.138 -6.113 1.00 11.71 O ATOM 49 CB GLU A 8 -16.261 -0.868 -8.612 1.00 13.27 C ATOM 50 CG GLU A 8 -17.675 -0.591 -9.142 1.00 13.55 C ATOM 51 CD GLU A 8 -18.590 -0.139 -7.998 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.725 -0.884 -7.041 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.139 0.948 -8.097 1.00 14.92 O ATOM 0 H GLU A 8 -15.585 1.012 -10.106 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.324 0.899 -7.361 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.637 -1.265 -9.413 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.301 -1.628 -7.832 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.638 0.178 -9.913 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.079 -1.490 -9.607 1.00 13.55 H new ATOM 60 N GLU A 9 -13.253 -0.095 -8.005 1.00 11.46 N ATOM 61 CA GLU A 9 -11.995 -0.497 -7.309 1.00 11.12 C ATOM 62 C GLU A 9 -11.487 0.643 -6.424 1.00 10.28 C ATOM 63 O GLU A 9 -11.083 0.427 -5.299 1.00 10.32 O ATOM 64 CB GLU A 9 -10.938 -0.847 -8.357 1.00 12.40 C ATOM 65 CG GLU A 9 -11.336 -2.153 -9.047 1.00 13.24 C ATOM 66 CD GLU A 9 -10.428 -2.399 -10.252 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.571 -1.570 -10.505 1.00 14.68 O ATOM 68 OE2 GLU A 9 -10.602 -3.420 -10.898 1.00 14.26 O ATOM 0 H GLU A 9 -13.172 0.044 -9.012 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.194 -1.363 -6.677 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.854 -0.044 -9.090 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.961 -0.952 -7.886 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.258 -2.984 -8.346 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.376 -2.103 -9.368 1.00 13.24 H new ATOM 75 N VAL A 10 -11.511 1.850 -6.904 1.00 9.75 N ATOM 76 CA VAL A 10 -11.036 2.983 -6.059 1.00 9.10 C ATOM 77 C VAL A 10 -11.956 3.134 -4.847 1.00 7.91 C ATOM 78 O VAL A 10 -11.517 3.474 -3.767 1.00 7.70 O ATOM 79 CB VAL A 10 -11.014 4.281 -6.872 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.849 4.254 -7.862 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.319 4.433 -7.651 1.00 11.17 C ATOM 0 H VAL A 10 -11.836 2.104 -7.837 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.022 2.774 -5.718 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.897 5.120 -6.186 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.839 5.180 -8.437 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.910 4.155 -7.317 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.966 3.408 -8.539 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.294 5.359 -8.226 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.439 3.588 -8.329 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.157 4.461 -6.955 1.00 11.17 H new ATOM 91 N LYS A 11 -13.227 2.878 -5.005 1.00 7.38 N ATOM 92 CA LYS A 11 -14.151 2.999 -3.844 1.00 6.32 C ATOM 93 C LYS A 11 -13.698 2.045 -2.747 1.00 5.68 C ATOM 94 O LYS A 11 -13.727 2.375 -1.579 1.00 5.93 O ATOM 95 CB LYS A 11 -15.583 2.681 -4.266 1.00 8.26 C ATOM 96 CG LYS A 11 -16.134 3.866 -5.067 1.00 8.64 C ATOM 97 CD LYS A 11 -17.551 3.565 -5.563 1.00 9.23 C ATOM 98 CE LYS A 11 -18.571 3.776 -4.436 1.00 9.91 C ATOM 99 NZ LYS A 11 -18.419 5.144 -3.863 1.00 10.51 N ATOM 0 H LYS A 11 -13.662 2.592 -5.882 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.129 4.022 -3.469 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.606 1.774 -4.869 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.203 2.497 -3.389 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.143 4.761 -4.445 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.482 4.074 -5.915 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.793 4.212 -6.406 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.606 2.538 -5.924 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -19.583 3.643 -4.820 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.425 3.028 -3.657 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.356 5.524 -3.619 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.830 5.098 -3.007 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.965 5.765 -4.563 1.00 10.51 H new ATOM 113 N LYS A 12 -13.266 0.871 -3.107 1.00 5.08 N ATOM 114 CA LYS A 12 -12.798 -0.081 -2.067 1.00 4.72 C ATOM 115 C LYS A 12 -11.607 0.544 -1.339 1.00 4.34 C ATOM 116 O LYS A 12 -11.480 0.439 -0.135 1.00 4.65 O ATOM 117 CB LYS A 12 -12.351 -1.396 -2.709 1.00 6.91 C ATOM 118 CG LYS A 12 -13.569 -2.155 -3.254 1.00 7.86 C ATOM 119 CD LYS A 12 -13.164 -3.579 -3.674 1.00 8.86 C ATOM 120 CE LYS A 12 -12.490 -3.563 -5.047 1.00 9.89 C ATOM 121 NZ LYS A 12 -11.985 -4.929 -5.367 1.00 10.82 N ATOM 0 H LYS A 12 -13.217 0.532 -4.068 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.613 -0.286 -1.373 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.646 -1.195 -3.516 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.829 -2.009 -1.975 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.349 -2.200 -2.493 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.987 -1.621 -4.108 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.485 -4.003 -2.934 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.045 -4.220 -3.703 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -13.199 -3.238 -5.808 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.667 -2.849 -5.052 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -11.526 -4.920 -6.300 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -11.296 -5.222 -4.645 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -12.780 -5.599 -5.379 1.00 10.82 H new ATOM 135 N TRP A 13 -10.736 1.204 -2.057 1.00 4.15 N ATOM 136 CA TRP A 13 -9.562 1.840 -1.392 1.00 3.58 C ATOM 137 C TRP A 13 -10.076 2.798 -0.323 1.00 2.38 C ATOM 138 O TRP A 13 -9.394 3.122 0.626 1.00 2.83 O ATOM 139 CB TRP A 13 -8.734 2.617 -2.419 1.00 4.70 C ATOM 140 CG TRP A 13 -8.281 1.704 -3.524 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.445 0.357 -3.563 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.589 2.062 -4.752 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.892 -0.126 -4.736 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.350 0.886 -5.501 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.146 3.287 -5.280 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.697 0.925 -6.731 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.486 3.329 -6.517 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.261 2.151 -7.242 1.00 6.26 C ATOM 0 H TRP A 13 -10.786 1.329 -3.068 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.931 1.073 -0.943 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.327 3.432 -2.832 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.869 3.067 -1.933 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.928 -0.240 -2.803 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.886 -1.111 -5.003 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.315 4.201 -4.730 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.529 0.014 -7.286 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.149 4.275 -6.913 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.752 2.190 -8.194 1.00 6.26 H new ATOM 159 N ALA A 14 -11.289 3.245 -0.457 1.00 0.01 N ATOM 160 CA ALA A 14 -11.854 4.159 0.569 1.00 0.01 C ATOM 161 C ALA A 14 -12.441 3.304 1.692 1.00 0.01 C ATOM 162 O ALA A 14 -12.797 3.796 2.744 1.00 0.01 O ATOM 163 CB ALA A 14 -12.957 5.009 -0.057 1.00 0.00 C ATOM 0 H ALA A 14 -11.913 3.018 -1.231 1.00 0.01 H new ATOM 0 HA ALA A 14 -11.079 4.818 0.960 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.371 5.679 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.543 5.596 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.745 4.359 -0.438 1.00 0.00 H new ATOM 169 N GLU A 15 -12.551 2.016 1.465 1.00 0.01 N ATOM 170 CA GLU A 15 -13.124 1.108 2.502 1.00 0.01 C ATOM 171 C GLU A 15 -12.010 0.467 3.342 1.00 0.01 C ATOM 172 O GLU A 15 -12.220 0.132 4.490 1.00 0.01 O ATOM 173 CB GLU A 15 -13.923 -0.004 1.817 1.00 0.01 C ATOM 174 CG GLU A 15 -15.067 0.601 1.004 1.00 0.01 C ATOM 175 CD GLU A 15 -15.832 -0.518 0.296 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.272 -1.595 0.161 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.964 -0.284 -0.091 1.00 0.01 O ATOM 0 H GLU A 15 -12.266 1.555 0.601 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.769 1.696 3.155 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -13.270 -0.584 1.165 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -14.320 -0.691 2.564 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.738 1.158 1.658 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.675 1.308 0.273 1.00 0.01 H new ATOM 184 N SER A 16 -10.831 0.274 2.798 1.00 0.01 N ATOM 185 CA SER A 16 -9.758 -0.370 3.617 1.00 0.01 C ATOM 186 C SER A 16 -8.406 -0.362 2.891 1.00 0.00 C ATOM 187 O SER A 16 -8.323 -0.495 1.686 1.00 0.00 O ATOM 188 CB SER A 16 -10.156 -1.817 3.906 1.00 0.01 C ATOM 189 OG SER A 16 -10.602 -2.427 2.700 1.00 0.01 O ATOM 0 H SER A 16 -10.570 0.528 1.845 1.00 0.01 H new ATOM 0 HA SER A 16 -9.650 0.198 4.541 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.307 -2.366 4.314 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.945 -1.847 4.657 1.00 0.01 H new ATOM 0 HG SER A 16 -10.285 -1.906 1.933 1.00 0.01 H new ATOM 195 N LEU A 17 -7.345 -0.220 3.645 1.00 0.00 N ATOM 196 CA LEU A 17 -5.970 -0.214 3.061 1.00 0.00 C ATOM 197 C LEU A 17 -5.661 -1.554 2.393 1.00 0.01 C ATOM 198 O LEU A 17 -5.050 -1.603 1.346 1.00 0.00 O ATOM 199 CB LEU A 17 -4.970 0.064 4.186 1.00 0.01 C ATOM 200 CG LEU A 17 -3.525 -0.076 3.691 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.268 0.870 2.519 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.597 0.300 4.832 1.00 0.00 C ATOM 0 H LEU A 17 -7.375 -0.106 4.658 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.898 0.561 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.128 1.070 4.576 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -5.144 -0.628 5.010 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.351 -1.101 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.238 0.758 2.180 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.947 0.629 1.701 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.435 1.899 2.838 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.562 0.208 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.792 1.329 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.770 -0.367 5.677 1.00 0.00 H new ATOM 214 N GLU A 18 -6.057 -2.637 2.989 1.00 0.01 N ATOM 215 CA GLU A 18 -5.759 -3.959 2.380 1.00 0.00 C ATOM 216 C GLU A 18 -6.259 -3.977 0.928 1.00 0.00 C ATOM 217 O GLU A 18 -5.612 -4.514 0.051 1.00 0.01 O ATOM 218 CB GLU A 18 -6.462 -5.051 3.191 1.00 0.01 C ATOM 219 CG GLU A 18 -5.794 -5.164 4.564 1.00 0.01 C ATOM 220 CD GLU A 18 -6.509 -6.225 5.402 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.377 -6.892 4.863 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.180 -6.351 6.571 1.00 0.01 O ATOM 0 H GLU A 18 -6.573 -2.666 3.869 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.684 -4.139 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.519 -4.812 3.306 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.406 -6.004 2.666 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.743 -5.428 4.447 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.826 -4.202 5.075 1.00 0.01 H new ATOM 229 N ASN A 19 -7.398 -3.394 0.663 1.00 0.01 N ATOM 230 CA ASN A 19 -7.917 -3.386 -0.740 1.00 0.00 C ATOM 231 C ASN A 19 -6.930 -2.657 -1.660 1.00 0.00 C ATOM 232 O ASN A 19 -6.568 -3.143 -2.713 1.00 0.01 O ATOM 233 CB ASN A 19 -9.271 -2.669 -0.785 1.00 0.01 C ATOM 234 CG ASN A 19 -10.348 -3.569 -0.180 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.233 -3.099 0.506 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.313 -4.852 -0.411 1.00 0.01 N ATOM 0 H ASN A 19 -7.989 -2.926 1.350 1.00 0.01 H new ATOM 0 HA ASN A 19 -8.035 -4.415 -1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.215 -1.730 -0.234 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.528 -2.419 -1.815 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.029 -5.461 -0.015 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.569 -5.246 -0.987 1.00 0.01 H new ATOM 243 N LEU A 20 -6.488 -1.494 -1.267 1.00 0.00 N ATOM 244 CA LEU A 20 -5.530 -0.734 -2.118 1.00 0.01 C ATOM 245 C LEU A 20 -4.266 -1.573 -2.311 1.00 0.01 C ATOM 246 O LEU A 20 -3.799 -1.763 -3.415 1.00 0.00 O ATOM 247 CB LEU A 20 -5.190 0.583 -1.406 1.00 0.00 C ATOM 248 CG LEU A 20 -4.156 1.419 -2.191 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.793 2.049 -3.437 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.643 2.539 -1.282 1.00 0.01 C ATOM 0 H LEU A 20 -6.749 -1.037 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.965 -0.518 -3.094 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.100 1.167 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.800 0.366 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.342 0.767 -2.506 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.044 2.633 -3.973 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.174 1.262 -4.088 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.614 2.700 -3.136 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.911 3.139 -1.822 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.477 3.171 -0.977 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.175 2.105 -0.398 1.00 0.01 H new ATOM 262 N ILE A 21 -3.716 -2.079 -1.242 1.00 0.01 N ATOM 263 CA ILE A 21 -2.488 -2.910 -1.359 1.00 0.00 C ATOM 264 C ILE A 21 -2.828 -4.231 -2.058 1.00 0.00 C ATOM 265 O ILE A 21 -1.995 -4.829 -2.707 1.00 0.00 O ATOM 266 CB ILE A 21 -1.916 -3.190 0.036 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.481 -1.869 0.682 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.706 -4.120 -0.078 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.099 -2.110 2.145 1.00 0.01 C ATOM 0 H ILE A 21 -4.065 -1.952 -0.292 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.743 -2.374 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.681 -3.666 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.634 -1.450 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.290 -1.141 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.303 -4.316 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.012 -5.060 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.060 -3.647 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.791 -1.169 2.600 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.958 -2.510 2.684 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.276 -2.823 2.193 1.00 0.01 H new ATOM 281 N ASN A 22 -4.048 -4.692 -1.937 1.00 0.00 N ATOM 282 CA ASN A 22 -4.430 -5.978 -2.601 1.00 0.01 C ATOM 283 C ASN A 22 -4.852 -5.714 -4.046 1.00 0.01 C ATOM 284 O ASN A 22 -5.181 -6.629 -4.775 1.00 0.01 O ATOM 285 CB ASN A 22 -5.613 -6.619 -1.868 1.00 0.01 C ATOM 286 CG ASN A 22 -5.167 -7.151 -0.508 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.061 -7.627 -0.360 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.993 -7.087 0.500 1.00 0.01 N ATOM 0 H ASN A 22 -4.793 -4.237 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.568 -6.645 -2.575 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.409 -5.886 -1.736 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -6.024 -7.431 -2.467 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.709 -7.438 1.415 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.922 -6.686 0.373 1.00 0.01 H new ATOM 295 N HIS A 23 -4.851 -4.479 -4.476 1.00 0.01 N ATOM 296 CA HIS A 23 -5.259 -4.186 -5.884 1.00 0.01 C ATOM 297 C HIS A 23 -4.023 -4.162 -6.782 1.00 0.01 C ATOM 298 O HIS A 23 -2.985 -3.646 -6.418 1.00 0.01 O ATOM 299 CB HIS A 23 -5.946 -2.821 -5.957 1.00 0.00 C ATOM 300 CG HIS A 23 -6.644 -2.696 -7.281 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.011 -2.202 -8.412 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.917 -3.018 -7.675 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.900 -2.242 -9.422 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.077 -2.732 -9.024 1.00 0.01 N ATOM 0 H HIS A 23 -4.588 -3.666 -3.919 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.948 -4.962 -6.218 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.662 -2.716 -5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.212 -2.023 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.680 -3.432 -7.033 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.688 -1.918 -10.430 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.915 -2.867 -9.590 1.00 0.01 H new ATOM 312 N GLU A 24 -4.127 -4.715 -7.958 1.00 0.01 N ATOM 313 CA GLU A 24 -2.961 -4.721 -8.882 1.00 0.01 C ATOM 314 C GLU A 24 -2.567 -3.283 -9.219 1.00 0.01 C ATOM 315 O GLU A 24 -1.399 -2.949 -9.294 1.00 0.01 O ATOM 316 CB GLU A 24 -3.339 -5.453 -10.170 1.00 0.01 C ATOM 317 CG GLU A 24 -2.138 -5.480 -11.119 1.00 0.01 C ATOM 318 CD GLU A 24 -2.501 -6.273 -12.373 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.553 -6.890 -12.373 1.00 0.01 O ATOM 320 OE2 GLU A 24 -1.723 -6.250 -13.311 1.00 0.00 O ATOM 0 H GLU A 24 -4.969 -5.163 -8.319 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.122 -5.226 -8.403 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.657 -6.470 -9.942 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.182 -4.955 -10.649 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.850 -4.464 -11.388 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.279 -5.934 -10.624 1.00 0.01 H new ATOM 327 N CYS A 25 -3.529 -2.425 -9.430 1.00 0.01 N ATOM 328 CA CYS A 25 -3.191 -1.015 -9.778 1.00 0.01 C ATOM 329 C CYS A 25 -2.922 -0.235 -8.497 1.00 0.01 C ATOM 330 O CYS A 25 -2.126 0.682 -8.482 1.00 0.00 O ATOM 331 CB CYS A 25 -4.347 -0.379 -10.552 1.00 0.01 C ATOM 332 SG CYS A 25 -3.766 1.137 -11.351 1.00 0.00 S ATOM 0 H CYS A 25 -4.525 -2.637 -9.377 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.300 -0.995 -10.406 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.727 -1.076 -11.299 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.173 -0.155 -9.877 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.744 1.681 -12.012 1.00 0.00 H new ATOM 338 N GLY A 26 -3.540 -0.601 -7.409 1.00 0.01 N ATOM 339 CA GLY A 26 -3.252 0.123 -6.144 1.00 0.01 C ATOM 340 C GLY A 26 -1.768 -0.061 -5.844 1.00 0.01 C ATOM 341 O GLY A 26 -1.071 0.868 -5.509 1.00 0.01 O ATOM 0 H GLY A 26 -4.221 -1.358 -7.342 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.496 1.181 -6.243 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -3.860 -0.270 -5.329 1.00 0.01 H new ATOM 345 N LEU A 27 -1.276 -1.260 -5.984 1.00 0.01 N ATOM 346 CA LEU A 27 0.170 -1.503 -5.734 1.00 0.00 C ATOM 347 C LEU A 27 0.989 -0.644 -6.693 1.00 0.00 C ATOM 348 O LEU A 27 1.877 0.079 -6.300 1.00 0.00 O ATOM 349 CB LEU A 27 0.491 -2.980 -5.996 1.00 0.00 C ATOM 350 CG LEU A 27 -0.143 -3.878 -4.922 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.124 -5.329 -5.407 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.653 -3.795 -3.613 1.00 0.01 C ATOM 0 H LEU A 27 -1.813 -2.082 -6.261 1.00 0.01 H new ATOM 0 HA LEU A 27 0.411 -1.251 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.122 -3.267 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.571 -3.125 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.165 -3.542 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.572 -5.972 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.692 -5.410 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.906 -5.640 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.190 -4.437 -2.864 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.677 -4.123 -3.789 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.658 -2.765 -3.255 1.00 0.01 H new ATOM 364 N ALA A 28 0.684 -0.715 -7.957 1.00 0.00 N ATOM 365 CA ALA A 28 1.441 0.096 -8.948 1.00 0.00 C ATOM 366 C ALA A 28 1.279 1.580 -8.623 1.00 0.01 C ATOM 367 O ALA A 28 2.236 2.327 -8.577 1.00 0.00 O ATOM 368 CB ALA A 28 0.895 -0.190 -10.346 1.00 0.00 C ATOM 0 H ALA A 28 -0.056 -1.299 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 28 2.499 -0.164 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.444 0.401 -11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.012 -1.250 -10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.162 0.075 -10.385 1.00 0.00 H new ATOM 374 N ALA A 29 0.071 2.010 -8.399 1.00 0.00 N ATOM 375 CA ALA A 29 -0.163 3.443 -8.080 1.00 0.01 C ATOM 376 C ALA A 29 0.386 3.763 -6.688 1.00 0.00 C ATOM 377 O ALA A 29 1.030 4.774 -6.480 1.00 0.00 O ATOM 378 CB ALA A 29 -1.668 3.724 -8.111 1.00 0.01 C ATOM 0 H ALA A 29 -0.767 1.429 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 29 0.346 4.066 -8.816 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -1.847 4.774 -7.878 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.059 3.501 -9.104 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.170 3.098 -7.374 1.00 0.01 H new ATOM 384 N PHE A 30 0.125 2.916 -5.731 1.00 0.00 N ATOM 385 CA PHE A 30 0.615 3.173 -4.351 1.00 0.00 C ATOM 386 C PHE A 30 2.147 3.249 -4.334 1.00 0.00 C ATOM 387 O PHE A 30 2.717 4.157 -3.764 1.00 0.00 O ATOM 388 CB PHE A 30 0.121 2.069 -3.409 1.00 0.00 C ATOM 389 CG PHE A 30 0.517 2.406 -1.992 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.017 3.567 -1.386 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.386 1.569 -1.287 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.391 3.891 -0.083 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.755 1.892 0.021 1.00 0.00 C ATOM 394 CZ PHE A 30 1.258 3.058 0.622 1.00 0.00 C ATOM 0 H PHE A 30 -0.409 2.054 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 30 0.221 4.130 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.962 1.971 -3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.548 1.109 -3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.659 4.211 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.772 0.674 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.009 4.788 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.423 1.244 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.547 3.310 1.631 1.00 0.00 H new ATOM 404 N LYS A 31 2.822 2.319 -4.956 1.00 0.00 N ATOM 405 CA LYS A 31 4.313 2.374 -4.962 1.00 0.00 C ATOM 406 C LYS A 31 4.775 3.674 -5.622 1.00 0.00 C ATOM 407 O LYS A 31 5.702 4.316 -5.168 1.00 0.00 O ATOM 408 CB LYS A 31 4.875 1.189 -5.748 1.00 0.00 C ATOM 409 CG LYS A 31 4.646 -0.106 -4.971 1.00 0.00 C ATOM 410 CD LYS A 31 5.210 -1.277 -5.777 1.00 0.00 C ATOM 411 CE LYS A 31 4.995 -2.577 -5.006 1.00 0.01 C ATOM 412 NZ LYS A 31 3.547 -2.742 -4.712 1.00 0.00 N ATOM 0 H LYS A 31 2.410 1.531 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 31 4.673 2.332 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.394 1.128 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.941 1.333 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.131 -0.051 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.581 -0.252 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.720 -1.333 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.273 -1.125 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.358 -3.423 -5.589 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.566 -2.561 -4.078 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.360 -2.469 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.992 -2.137 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.275 -3.736 -4.853 1.00 0.00 H new ATOM 426 N ALA A 32 4.133 4.075 -6.682 1.00 0.00 N ATOM 427 CA ALA A 32 4.536 5.341 -7.355 1.00 0.00 C ATOM 428 C ALA A 32 4.174 6.510 -6.445 1.00 0.01 C ATOM 429 O ALA A 32 4.935 7.443 -6.272 1.00 0.00 O ATOM 430 CB ALA A 32 3.786 5.478 -8.679 1.00 0.00 C ATOM 0 H ALA A 32 3.349 3.583 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 32 5.608 5.334 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.082 6.405 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.028 4.633 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.713 5.494 -8.489 1.00 0.00 H new ATOM 436 N PHE A 33 3.015 6.453 -5.855 1.00 0.00 N ATOM 437 CA PHE A 33 2.585 7.540 -4.942 1.00 0.00 C ATOM 438 C PHE A 33 3.575 7.659 -3.786 1.00 0.00 C ATOM 439 O PHE A 33 4.006 8.736 -3.431 1.00 0.00 O ATOM 440 CB PHE A 33 1.198 7.212 -4.396 1.00 0.00 C ATOM 441 CG PHE A 33 0.775 8.288 -3.430 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.246 9.488 -3.913 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.911 8.083 -2.053 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.145 10.489 -3.018 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.520 9.082 -1.158 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.007 10.284 -1.641 1.00 0.00 C ATOM 0 H PHE A 33 2.344 5.693 -5.968 1.00 0.00 H new ATOM 0 HA PHE A 33 2.553 8.485 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.481 7.139 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.211 6.243 -3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.139 9.642 -4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.318 7.154 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.552 11.418 -3.389 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.625 8.926 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.308 11.056 -0.949 1.00 0.00 H new ATOM 456 N LEU A 34 3.949 6.558 -3.199 1.00 0.00 N ATOM 457 CA LEU A 34 4.921 6.617 -2.070 1.00 0.00 C ATOM 458 C LEU A 34 6.226 7.230 -2.563 1.00 0.00 C ATOM 459 O LEU A 34 6.853 8.004 -1.869 1.00 0.00 O ATOM 460 CB LEU A 34 5.215 5.215 -1.527 1.00 0.00 C ATOM 461 CG LEU A 34 4.002 4.622 -0.785 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.393 3.238 -0.211 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.552 5.560 0.359 1.00 0.00 C ATOM 0 H LEU A 34 3.626 5.623 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 34 4.487 7.222 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.494 4.558 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.069 5.259 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 34 3.171 4.514 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.541 2.809 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.686 2.576 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.227 3.354 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.694 5.124 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.370 5.689 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.274 6.530 -0.054 1.00 0.00 H new ATOM 475 N LYS A 35 6.645 6.897 -3.751 1.00 0.00 N ATOM 476 CA LYS A 35 7.916 7.473 -4.263 1.00 0.00 C ATOM 477 C LYS A 35 7.814 8.992 -4.164 1.00 0.01 C ATOM 478 O LYS A 35 8.754 9.669 -3.793 1.00 0.00 O ATOM 479 CB LYS A 35 8.114 7.056 -5.720 1.00 0.00 C ATOM 480 CG LYS A 35 9.430 7.631 -6.243 1.00 0.00 C ATOM 481 CD LYS A 35 9.655 7.158 -7.679 1.00 0.00 C ATOM 482 CE LYS A 35 10.962 7.746 -8.208 1.00 0.00 C ATOM 483 NZ LYS A 35 10.902 9.232 -8.124 1.00 0.01 N ATOM 0 H LYS A 35 6.166 6.256 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 35 8.764 7.114 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.123 5.969 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.282 7.413 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.404 8.720 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.257 7.311 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.693 6.069 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.822 7.468 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.804 7.371 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.123 7.435 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.364 9.646 -8.959 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 9.909 9.538 -8.091 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 11.391 9.551 -7.264 1.00 0.01 H new ATOM 497 N SER A 36 6.666 9.527 -4.466 1.00 0.00 N ATOM 498 CA SER A 36 6.481 10.998 -4.367 1.00 0.00 C ATOM 499 C SER A 36 6.672 11.409 -2.908 1.00 0.00 C ATOM 500 O SER A 36 6.989 12.542 -2.604 1.00 0.00 O ATOM 501 CB SER A 36 5.068 11.366 -4.815 1.00 0.00 C ATOM 502 OG SER A 36 4.839 10.856 -6.122 1.00 0.00 O ATOM 0 H SER A 36 5.846 9.007 -4.778 1.00 0.00 H new ATOM 0 HA SER A 36 7.203 11.511 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.336 10.956 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.943 12.449 -4.808 1.00 0.00 H new ATOM 0 HG SER A 36 3.932 11.090 -6.410 1.00 0.00 H new ATOM 508 N GLU A 37 6.480 10.483 -2.000 1.00 0.00 N ATOM 509 CA GLU A 37 6.647 10.786 -0.545 1.00 0.00 C ATOM 510 C GLU A 37 7.963 10.172 -0.057 1.00 0.00 C ATOM 511 O GLU A 37 8.294 10.237 1.110 1.00 0.00 O ATOM 512 CB GLU A 37 5.478 10.175 0.233 1.00 0.00 C ATOM 513 CG GLU A 37 4.186 10.921 -0.107 1.00 0.00 C ATOM 514 CD GLU A 37 3.023 10.304 0.672 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.260 9.349 1.393 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.915 10.795 0.530 1.00 0.00 O ATOM 0 H GLU A 37 6.212 9.521 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 37 6.664 11.864 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.376 9.119 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.672 10.233 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.286 11.977 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.991 10.864 -1.178 1.00 0.00 H new ATOM 523 N TYR A 38 8.710 9.577 -0.955 1.00 0.00 N ATOM 524 CA TYR A 38 10.018 8.952 -0.589 1.00 0.00 C ATOM 525 C TYR A 38 9.798 7.873 0.471 1.00 0.00 C ATOM 526 O TYR A 38 10.653 7.609 1.294 1.00 0.00 O ATOM 527 CB TYR A 38 10.976 10.023 -0.069 1.00 0.00 C ATOM 528 CG TYR A 38 11.175 11.060 -1.147 1.00 0.00 C ATOM 529 CD1 TYR A 38 12.160 10.878 -2.124 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.365 12.200 -1.173 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.335 11.839 -3.128 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.539 13.160 -2.176 1.00 0.00 C ATOM 533 CZ TYR A 38 11.524 12.980 -3.153 1.00 0.01 C ATOM 534 OH TYR A 38 11.694 13.927 -4.143 1.00 0.00 O ATOM 0 H TYR A 38 8.464 9.497 -1.942 1.00 0.00 H new ATOM 0 HA TYR A 38 10.457 8.489 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.572 10.486 0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.931 9.575 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.785 9.997 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.605 12.339 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.095 11.700 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.913 14.040 -2.196 1.00 0.00 H new ATOM 0 HH TYR A 38 11.050 14.654 -4.014 1.00 0.00 H new ATOM 544 N SER A 39 8.655 7.243 0.445 1.00 0.00 N ATOM 545 CA SER A 39 8.342 6.166 1.431 1.00 0.00 C ATOM 546 C SER A 39 8.382 4.820 0.699 1.00 0.00 C ATOM 547 O SER A 39 7.814 3.839 1.131 1.00 0.00 O ATOM 548 CB SER A 39 6.943 6.422 2.002 1.00 0.00 C ATOM 549 OG SER A 39 6.266 5.189 2.202 1.00 0.00 O ATOM 0 H SER A 39 7.912 7.431 -0.228 1.00 0.00 H new ATOM 0 HA SER A 39 9.064 6.155 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.020 6.961 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.373 7.053 1.320 1.00 0.00 H new ATOM 0 HG SER A 39 6.922 4.474 2.339 1.00 0.00 H new ATOM 555 N GLU A 40 9.049 4.777 -0.416 1.00 0.00 N ATOM 556 CA GLU A 40 9.128 3.512 -1.195 1.00 0.00 C ATOM 557 C GLU A 40 9.869 2.450 -0.386 1.00 0.00 C ATOM 558 O GLU A 40 9.628 1.273 -0.523 1.00 0.00 O ATOM 559 CB GLU A 40 9.870 3.775 -2.505 1.00 0.00 C ATOM 560 CG GLU A 40 11.280 4.290 -2.207 1.00 0.00 C ATOM 561 CD GLU A 40 12.005 4.571 -3.525 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.576 4.044 -4.538 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.974 5.313 -3.499 1.00 0.00 O ATOM 0 H GLU A 40 9.546 5.568 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 40 8.121 3.153 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.924 2.859 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.325 4.506 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.228 5.198 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.833 3.553 -1.624 1.00 0.00 H new ATOM 570 N GLU A 41 10.762 2.846 0.463 1.00 0.00 N ATOM 571 CA GLU A 41 11.487 1.834 1.271 1.00 0.00 C ATOM 572 C GLU A 41 10.472 1.072 2.129 1.00 0.00 C ATOM 573 O GLU A 41 10.629 -0.100 2.411 1.00 0.00 O ATOM 574 CB GLU A 41 12.501 2.543 2.173 1.00 0.00 C ATOM 575 CG GLU A 41 11.768 3.528 3.087 1.00 0.00 C ATOM 576 CD GLU A 41 12.784 4.316 3.912 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.937 3.919 3.932 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.390 5.304 4.509 1.00 0.00 O ATOM 0 H GLU A 41 11.022 3.817 0.634 1.00 0.00 H new ATOM 0 HA GLU A 41 12.014 1.136 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.046 1.812 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.237 3.071 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.161 4.210 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.088 2.990 3.747 1.00 0.00 H new ATOM 585 N ASN A 42 9.438 1.744 2.561 1.00 0.00 N ATOM 586 CA ASN A 42 8.413 1.087 3.422 1.00 0.00 C ATOM 587 C ASN A 42 7.729 -0.082 2.694 1.00 0.00 C ATOM 588 O ASN A 42 7.495 -1.118 3.283 1.00 0.00 O ATOM 589 CB ASN A 42 7.368 2.121 3.839 1.00 0.00 C ATOM 590 CG ASN A 42 8.000 3.122 4.814 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.693 4.297 4.777 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.877 2.708 5.687 1.00 0.00 N ATOM 0 H ASN A 42 9.259 2.726 2.353 1.00 0.00 H new ATOM 0 HA ASN A 42 8.912 0.683 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.987 2.643 2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.518 1.626 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.303 3.370 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.137 1.722 5.721 1.00 0.00 H new ATOM 599 N ILE A 43 7.403 0.052 1.428 1.00 0.00 N ATOM 600 CA ILE A 43 6.739 -1.098 0.734 1.00 0.00 C ATOM 601 C ILE A 43 7.762 -2.218 0.564 1.00 0.00 C ATOM 602 O ILE A 43 7.445 -3.384 0.704 1.00 0.00 O ATOM 603 CB ILE A 43 6.160 -0.687 -0.638 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.092 -1.713 -1.070 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.270 -0.660 -1.700 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.841 -1.626 -0.177 1.00 0.00 C ATOM 0 H ILE A 43 7.562 0.884 0.859 1.00 0.00 H new ATOM 0 HA ILE A 43 5.901 -1.438 1.342 1.00 0.00 H new ATOM 0 HB ILE A 43 5.720 0.306 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.813 -1.536 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.509 -2.719 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.847 -0.369 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.036 0.059 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.716 -1.651 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.107 -2.361 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.118 -1.828 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.411 -0.627 -0.249 1.00 0.00 H new ATOM 618 N ASP A 44 8.994 -1.885 0.280 1.00 0.00 N ATOM 619 CA ASP A 44 10.010 -2.956 0.132 1.00 0.00 C ATOM 620 C ASP A 44 10.062 -3.701 1.460 1.00 0.00 C ATOM 621 O ASP A 44 10.132 -4.913 1.511 1.00 0.00 O ATOM 622 CB ASP A 44 11.383 -2.346 -0.172 1.00 0.00 C ATOM 623 CG ASP A 44 11.395 -1.763 -1.587 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.536 -2.136 -2.368 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.269 -0.960 -1.867 1.00 0.00 O ATOM 0 H ASP A 44 9.332 -0.932 0.147 1.00 0.00 H new ATOM 0 HA ASP A 44 9.750 -3.625 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.612 -1.566 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.157 -3.107 -0.077 1.00 0.00 H new ATOM 630 N PHE A 45 9.985 -2.971 2.538 1.00 0.00 N ATOM 631 CA PHE A 45 9.981 -3.615 3.874 1.00 0.00 C ATOM 632 C PHE A 45 8.721 -4.477 3.990 1.00 0.00 C ATOM 633 O PHE A 45 8.752 -5.584 4.490 1.00 0.00 O ATOM 634 CB PHE A 45 9.974 -2.526 4.950 1.00 0.00 C ATOM 635 CG PHE A 45 9.883 -3.162 6.312 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.048 -3.552 6.981 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.631 -3.366 6.903 1.00 0.00 C ATOM 638 CE1 PHE A 45 10.962 -4.145 8.244 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.544 -3.960 8.166 1.00 0.00 C ATOM 640 CZ PHE A 45 9.709 -4.350 8.838 1.00 0.00 C ATOM 0 H PHE A 45 9.925 -1.953 2.547 1.00 0.00 H new ATOM 0 HA PHE A 45 10.865 -4.239 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.880 -1.924 4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.131 -1.853 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.013 -3.395 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.733 -3.065 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.861 -4.445 8.762 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.578 -4.118 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.642 -4.809 9.814 1.00 0.00 H new ATOM 650 N TRP A 46 7.613 -3.970 3.515 1.00 0.00 N ATOM 651 CA TRP A 46 6.341 -4.742 3.570 1.00 0.00 C ATOM 652 C TRP A 46 6.490 -6.041 2.774 1.00 0.00 C ATOM 653 O TRP A 46 6.100 -7.101 3.219 1.00 0.00 O ATOM 654 CB TRP A 46 5.216 -3.898 2.968 1.00 0.00 C ATOM 655 CG TRP A 46 3.928 -4.658 2.999 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.210 -4.934 4.111 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.186 -5.223 1.881 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.079 -5.643 3.748 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.019 -5.845 2.383 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.414 -5.260 0.495 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.108 -6.481 1.537 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.500 -5.897 -0.360 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.350 -6.506 0.161 1.00 0.00 C ATOM 0 H TRP A 46 7.537 -3.047 3.088 1.00 0.00 H new ATOM 0 HA TRP A 46 6.105 -4.984 4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.111 -2.967 3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.463 -3.628 1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.476 -4.648 5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.376 -5.976 4.408 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.298 -4.795 0.084 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.224 -6.950 1.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.684 -5.918 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.651 -6.995 -0.501 1.00 0.00 H new ATOM 674 N ILE A 47 7.049 -5.965 1.595 1.00 0.00 N ATOM 675 CA ILE A 47 7.216 -7.195 0.768 1.00 0.00 C ATOM 676 C ILE A 47 8.132 -8.173 1.496 1.00 0.00 C ATOM 677 O ILE A 47 7.900 -9.366 1.509 1.00 0.00 O ATOM 678 CB ILE A 47 7.841 -6.820 -0.577 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.883 -5.906 -1.346 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.097 -8.090 -1.391 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.592 -5.316 -2.570 1.00 0.00 C ATOM 0 H ILE A 47 7.397 -5.105 1.170 1.00 0.00 H new ATOM 0 HA ILE A 47 6.244 -7.659 0.603 1.00 0.00 H new ATOM 0 HB ILE A 47 8.784 -6.300 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.004 -6.469 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.532 -5.104 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.542 -7.824 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.777 -8.742 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.154 -8.610 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.904 -4.667 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.457 -4.737 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.920 -6.123 -3.225 1.00 0.00 H new ATOM 693 N SER A 48 9.167 -7.680 2.114 1.00 0.00 N ATOM 694 CA SER A 48 10.084 -8.586 2.850 1.00 0.00 C ATOM 695 C SER A 48 9.352 -9.140 4.073 1.00 0.00 C ATOM 696 O SER A 48 9.479 -10.300 4.411 1.00 0.00 O ATOM 697 CB SER A 48 11.325 -7.810 3.290 1.00 0.00 C ATOM 698 OG SER A 48 10.956 -6.853 4.276 1.00 0.00 O ATOM 0 H SER A 48 9.416 -6.691 2.140 1.00 0.00 H new ATOM 0 HA SER A 48 10.394 -9.409 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.072 -8.494 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.778 -7.311 2.434 1.00 0.00 H new ATOM 0 HG SER A 48 10.171 -6.353 3.969 1.00 0.00 H new ATOM 704 N CYS A 49 8.578 -8.322 4.735 1.00 0.00 N ATOM 705 CA CYS A 49 7.836 -8.811 5.930 1.00 0.00 C ATOM 706 C CYS A 49 6.798 -9.850 5.501 1.00 0.00 C ATOM 707 O CYS A 49 6.547 -10.810 6.202 1.00 0.01 O ATOM 708 CB CYS A 49 7.134 -7.645 6.626 1.00 0.00 C ATOM 709 SG CYS A 49 6.640 -8.163 8.287 1.00 0.01 S ATOM 0 H CYS A 49 8.429 -7.341 4.500 1.00 0.00 H new ATOM 0 HA CYS A 49 8.543 -9.266 6.624 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.800 -6.784 6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.260 -7.335 6.053 1.00 0.00 H new ATOM 0 HG CYS A 49 5.359 -7.992 8.432 1.00 0.01 H new ATOM 715 N GLU A 50 6.198 -9.680 4.353 1.00 0.00 N ATOM 716 CA GLU A 50 5.189 -10.684 3.907 1.00 0.00 C ATOM 717 C GLU A 50 5.877 -12.039 3.800 1.00 0.01 C ATOM 718 O GLU A 50 5.396 -13.031 4.304 1.00 0.00 O ATOM 719 CB GLU A 50 4.630 -10.295 2.536 1.00 0.01 C ATOM 720 CG GLU A 50 3.646 -9.138 2.688 1.00 0.00 C ATOM 721 CD GLU A 50 3.192 -8.682 1.301 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.861 -7.837 0.732 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.187 -9.189 0.831 1.00 0.00 O ATOM 0 H GLU A 50 6.359 -8.902 3.713 1.00 0.00 H new ATOM 0 HA GLU A 50 4.369 -10.725 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.443 -10.008 1.870 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.132 -11.151 2.080 1.00 0.01 H new ATOM 0 HG2 GLU A 50 2.787 -9.451 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.117 -8.311 3.220 1.00 0.00 H new ATOM 730 N GLU A 51 7.014 -12.081 3.165 1.00 0.01 N ATOM 731 CA GLU A 51 7.742 -13.367 3.047 1.00 0.00 C ATOM 732 C GLU A 51 8.073 -13.848 4.455 1.00 0.01 C ATOM 733 O GLU A 51 7.979 -15.016 4.772 1.00 0.00 O ATOM 734 CB GLU A 51 9.038 -13.145 2.271 1.00 0.00 C ATOM 735 CG GLU A 51 8.707 -12.830 0.812 1.00 0.00 C ATOM 736 CD GLU A 51 10.002 -12.582 0.040 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.059 -12.724 0.634 1.00 0.00 O ATOM 738 OE2 GLU A 51 9.916 -12.255 -1.130 1.00 0.01 O ATOM 0 H GLU A 51 7.467 -11.281 2.724 1.00 0.01 H new ATOM 0 HA GLU A 51 7.134 -14.105 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.604 -12.325 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.667 -14.033 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.157 -13.658 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.063 -11.953 0.755 1.00 0.00 H new ATOM 745 N TYR A 52 8.450 -12.935 5.304 1.00 0.00 N ATOM 746 CA TYR A 52 8.786 -13.296 6.704 1.00 0.01 C ATOM 747 C TYR A 52 7.544 -13.905 7.364 1.00 0.01 C ATOM 748 O TYR A 52 7.622 -14.886 8.077 1.00 0.01 O ATOM 749 CB TYR A 52 9.205 -12.022 7.443 1.00 0.00 C ATOM 750 CG TYR A 52 9.831 -12.362 8.774 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.023 -12.627 9.886 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.226 -12.398 8.898 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.610 -12.929 11.119 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.812 -12.698 10.132 1.00 0.00 C ATOM 755 CZ TYR A 52 11.005 -12.965 11.241 1.00 0.01 C ATOM 756 OH TYR A 52 11.584 -13.265 12.456 1.00 0.01 O ATOM 0 H TYR A 52 8.540 -11.943 5.083 1.00 0.00 H new ATOM 0 HA TYR A 52 9.601 -14.020 6.736 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.913 -11.459 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.336 -11.382 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.947 -12.598 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.849 -12.194 8.040 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.988 -13.135 11.977 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.887 -12.723 10.228 1.00 0.00 H new ATOM 0 HH TYR A 52 10.914 -13.668 13.047 1.00 0.01 H new ATOM 766 N LYS A 53 6.394 -13.327 7.125 1.00 0.01 N ATOM 767 CA LYS A 53 5.140 -13.866 7.727 1.00 0.01 C ATOM 768 C LYS A 53 4.767 -15.208 7.091 1.00 0.01 C ATOM 769 O LYS A 53 4.036 -15.988 7.666 1.00 0.01 O ATOM 770 CB LYS A 53 3.994 -12.869 7.530 1.00 0.01 C ATOM 771 CG LYS A 53 4.226 -11.642 8.414 1.00 0.00 C ATOM 772 CD LYS A 53 3.079 -10.645 8.218 1.00 0.00 C ATOM 773 CE LYS A 53 3.275 -9.442 9.146 1.00 0.01 C ATOM 774 NZ LYS A 53 2.819 -9.803 10.517 1.00 0.00 N ATOM 0 H LYS A 53 6.271 -12.503 6.537 1.00 0.01 H new ATOM 0 HA LYS A 53 5.310 -14.019 8.793 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.934 -12.570 6.484 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.043 -13.338 7.783 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.287 -11.941 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.177 -11.173 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.046 -10.314 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.125 -11.128 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.325 -9.149 9.164 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.711 -8.586 8.776 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.870 -8.966 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.837 -10.144 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.431 -10.552 10.900 1.00 0.00 H new ATOM 788 N LYS A 54 5.255 -15.493 5.909 1.00 0.00 N ATOM 789 CA LYS A 54 4.903 -16.796 5.264 1.00 0.01 C ATOM 790 C LYS A 54 5.885 -17.864 5.740 1.00 0.01 C ATOM 791 O LYS A 54 5.578 -19.040 5.765 1.00 0.01 O ATOM 792 CB LYS A 54 5.013 -16.659 3.743 1.00 0.01 C ATOM 793 CG LYS A 54 3.899 -15.750 3.220 1.00 0.01 C ATOM 794 CD LYS A 54 4.023 -15.621 1.699 1.00 0.00 C ATOM 795 CE LYS A 54 2.923 -14.698 1.175 1.00 0.01 C ATOM 796 NZ LYS A 54 3.020 -13.376 1.856 1.00 0.01 N ATOM 0 H LYS A 54 5.874 -14.889 5.368 1.00 0.00 H new ATOM 0 HA LYS A 54 3.884 -17.076 5.533 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.986 -16.247 3.476 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.943 -17.641 3.275 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.925 -16.161 3.483 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.967 -14.767 3.687 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.003 -15.223 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.942 -16.603 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.022 -14.572 0.097 1.00 0.01 H new ATOM 0 HE3 LYS A 54 1.944 -15.142 1.356 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.725 -12.625 1.200 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.400 -13.369 2.691 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.003 -13.210 2.153 1.00 0.01 H new ATOM 810 N ILE A 55 7.059 -17.463 6.135 1.00 0.01 N ATOM 811 CA ILE A 55 8.049 -18.453 6.633 1.00 0.01 C ATOM 812 C ILE A 55 7.673 -18.850 8.059 1.00 0.00 C ATOM 813 O ILE A 55 7.721 -18.048 8.968 1.00 0.01 O ATOM 814 CB ILE A 55 9.447 -17.839 6.611 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.865 -17.600 5.156 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.442 -18.795 7.279 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.106 -16.710 5.113 1.00 0.01 C ATOM 0 H ILE A 55 7.375 -16.493 6.134 1.00 0.01 H new ATOM 0 HA ILE A 55 8.046 -19.336 5.995 1.00 0.01 H new ATOM 0 HB ILE A 55 9.440 -16.894 7.154 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.072 -18.552 4.667 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.050 -17.129 4.606 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.438 -18.354 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.141 -18.970 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.455 -19.742 6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.399 -16.544 4.076 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.884 -15.753 5.586 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.922 -17.197 5.646 1.00 0.01 H new ATOM 829 N LYS A 56 7.296 -20.083 8.261 1.00 0.01 N ATOM 830 CA LYS A 56 6.909 -20.540 9.628 1.00 0.01 C ATOM 831 C LYS A 56 8.091 -21.253 10.274 1.00 0.01 C ATOM 832 O LYS A 56 8.004 -21.744 11.381 1.00 0.01 O ATOM 833 CB LYS A 56 5.737 -21.509 9.516 1.00 0.01 C ATOM 834 CG LYS A 56 4.499 -20.748 9.051 1.00 0.01 C ATOM 835 CD LYS A 56 3.325 -21.717 8.935 1.00 0.00 C ATOM 836 CE LYS A 56 2.085 -20.958 8.470 1.00 0.00 C ATOM 837 NZ LYS A 56 0.999 -21.933 8.170 1.00 0.00 N ATOM 0 H LYS A 56 7.239 -20.797 7.535 1.00 0.01 H new ATOM 0 HA LYS A 56 6.623 -19.682 10.237 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.975 -22.306 8.811 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.547 -21.982 10.480 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.260 -19.953 9.757 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.690 -20.273 8.089 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.564 -22.512 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.135 -22.192 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.761 -20.260 9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.316 -20.368 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.151 -21.421 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.313 -22.582 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.774 -22.477 9.027 1.00 0.00 H new ATOM 851 N SER A 57 9.197 -21.315 9.585 1.00 0.00 N ATOM 852 CA SER A 57 10.401 -21.997 10.140 1.00 0.01 C ATOM 853 C SER A 57 11.283 -20.952 10.856 1.00 0.01 C ATOM 854 O SER A 57 11.837 -20.092 10.204 1.00 0.00 O ATOM 855 CB SER A 57 11.194 -22.603 8.984 1.00 0.01 C ATOM 856 OG SER A 57 10.378 -23.545 8.300 1.00 0.01 O ATOM 0 H SER A 57 9.319 -20.919 8.653 1.00 0.00 H new ATOM 0 HA SER A 57 10.102 -22.775 10.842 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.518 -21.819 8.299 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.094 -23.089 9.360 1.00 0.01 H new ATOM 0 HG SER A 57 10.882 -23.935 7.556 1.00 0.01 H new ATOM 862 N PRO A 58 11.429 -20.993 12.173 1.00 0.00 N ATOM 863 CA PRO A 58 12.274 -19.975 12.866 1.00 0.01 C ATOM 864 C PRO A 58 13.764 -20.137 12.533 1.00 0.00 C ATOM 865 O PRO A 58 14.574 -19.282 12.832 1.00 0.00 O ATOM 866 CB PRO A 58 11.986 -20.255 14.355 1.00 0.01 C ATOM 867 CG PRO A 58 11.237 -21.597 14.461 1.00 0.01 C ATOM 868 CD PRO A 58 10.792 -22.021 13.049 1.00 0.01 C ATOM 0 HA PRO A 58 12.044 -18.953 12.566 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.917 -20.295 14.920 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.387 -19.451 14.783 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.883 -22.358 14.899 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.372 -21.497 15.117 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.132 -23.027 12.804 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.706 -22.019 12.950 1.00 0.01 H new ATOM 876 N SER A 59 14.128 -21.228 11.919 1.00 0.01 N ATOM 877 CA SER A 59 15.558 -21.452 11.567 1.00 0.01 C ATOM 878 C SER A 59 15.877 -20.769 10.232 1.00 0.01 C ATOM 879 O SER A 59 17.024 -20.550 9.895 1.00 0.01 O ATOM 880 CB SER A 59 15.808 -22.954 11.437 1.00 0.01 C ATOM 881 OG SER A 59 15.152 -23.435 10.272 1.00 0.01 O ATOM 0 H SER A 59 13.493 -21.978 11.645 1.00 0.01 H new ATOM 0 HA SER A 59 16.195 -21.033 12.346 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.878 -23.153 11.376 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.437 -23.475 12.320 1.00 0.01 H new ATOM 0 HG SER A 59 15.310 -24.398 10.182 1.00 0.01 H new ATOM 887 N LYS A 60 14.869 -20.441 9.461 1.00 0.00 N ATOM 888 CA LYS A 60 15.111 -19.780 8.139 1.00 0.00 C ATOM 889 C LYS A 60 14.972 -18.261 8.281 1.00 0.01 C ATOM 890 O LYS A 60 15.477 -17.503 7.477 1.00 0.01 O ATOM 891 CB LYS A 60 14.069 -20.283 7.133 1.00 0.01 C ATOM 892 CG LYS A 60 14.319 -21.760 6.792 1.00 0.01 C ATOM 893 CD LYS A 60 15.440 -21.900 5.751 1.00 0.01 C ATOM 894 CE LYS A 60 15.506 -23.353 5.279 1.00 0.01 C ATOM 895 NZ LYS A 60 16.518 -23.483 4.193 1.00 0.01 N ATOM 0 H LYS A 60 13.888 -20.602 9.690 1.00 0.00 H new ATOM 0 HA LYS A 60 16.117 -20.020 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.068 -20.164 7.547 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.112 -19.682 6.225 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.587 -22.306 7.697 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.403 -22.209 6.408 1.00 0.01 H new ATOM 0 HD2 LYS A 60 15.253 -21.238 4.905 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.395 -21.602 6.184 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.767 -24.005 6.113 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.528 -23.673 4.918 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.560 -24.472 3.874 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 16.250 -22.873 3.394 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 17.451 -23.195 4.551 1.00 0.01 H new ATOM 909 N LEU A 61 14.289 -17.807 9.292 1.00 0.01 N ATOM 910 CA LEU A 61 14.120 -16.337 9.477 1.00 0.01 C ATOM 911 C LEU A 61 15.490 -15.692 9.715 1.00 0.01 C ATOM 912 O LEU A 61 15.780 -14.619 9.225 1.00 0.01 O ATOM 913 CB LEU A 61 13.213 -16.080 10.684 1.00 0.01 C ATOM 914 CG LEU A 61 11.832 -16.712 10.445 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.954 -16.504 11.685 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.158 -16.069 9.215 1.00 0.01 C ATOM 0 H LEU A 61 13.840 -18.388 9.999 1.00 0.01 H new ATOM 0 HA LEU A 61 13.668 -15.904 8.584 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.663 -16.499 11.584 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.108 -15.008 10.849 1.00 0.01 H new ATOM 0 HG LEU A 61 11.955 -17.779 10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.975 -16.952 11.517 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.425 -16.975 12.548 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.837 -15.437 11.873 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.181 -16.525 9.056 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.036 -14.999 9.385 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.780 -16.228 8.334 1.00 0.01 H new ATOM 928 N SER A 62 16.328 -16.342 10.471 1.00 0.00 N ATOM 929 CA SER A 62 17.679 -15.780 10.767 1.00 0.01 C ATOM 930 C SER A 62 18.396 -15.335 9.472 1.00 0.01 C ATOM 931 O SER A 62 18.669 -14.161 9.302 1.00 0.01 O ATOM 932 CB SER A 62 18.506 -16.836 11.519 1.00 0.01 C ATOM 933 OG SER A 62 18.433 -16.566 12.912 1.00 0.01 O ATOM 0 H SER A 62 16.135 -17.246 10.901 1.00 0.00 H new ATOM 0 HA SER A 62 17.568 -14.894 11.392 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.125 -17.835 11.307 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.543 -16.813 11.184 1.00 0.01 H new ATOM 0 HG SER A 62 18.956 -17.234 13.403 1.00 0.01 H new ATOM 939 N PRO A 63 18.716 -16.235 8.569 1.00 0.00 N ATOM 940 CA PRO A 63 19.417 -15.846 7.314 1.00 0.00 C ATOM 941 C PRO A 63 18.897 -14.530 6.711 1.00 0.01 C ATOM 942 O PRO A 63 19.630 -13.570 6.578 1.00 0.00 O ATOM 943 CB PRO A 63 19.129 -17.049 6.391 1.00 0.01 C ATOM 944 CG PRO A 63 18.517 -18.178 7.248 1.00 0.01 C ATOM 945 CD PRO A 63 18.417 -17.688 8.707 1.00 0.01 C ATOM 0 HA PRO A 63 20.477 -15.649 7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.443 -16.761 5.595 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.047 -17.390 5.913 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.530 -18.447 6.871 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.135 -19.074 7.191 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.427 -17.862 9.129 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.133 -18.192 9.356 1.00 0.01 H new ATOM 953 N LYS A 64 17.649 -14.485 6.328 1.00 0.01 N ATOM 954 CA LYS A 64 17.110 -13.236 5.719 1.00 0.01 C ATOM 955 C LYS A 64 16.895 -12.153 6.781 1.00 0.00 C ATOM 956 O LYS A 64 16.958 -10.975 6.489 1.00 0.00 O ATOM 957 CB LYS A 64 15.788 -13.529 5.002 1.00 0.00 C ATOM 958 CG LYS A 64 14.795 -14.204 5.963 1.00 0.01 C ATOM 959 CD LYS A 64 13.363 -14.010 5.449 1.00 0.01 C ATOM 960 CE LYS A 64 13.254 -14.521 4.010 1.00 0.01 C ATOM 961 NZ LYS A 64 13.885 -15.865 3.903 1.00 0.00 N ATOM 0 H LYS A 64 16.984 -15.254 6.410 1.00 0.01 H new ATOM 0 HA LYS A 64 17.840 -12.869 4.998 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.361 -12.602 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.968 -14.175 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.021 -15.267 6.046 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.894 -13.778 6.961 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.662 -14.546 6.089 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.092 -12.955 5.491 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.207 -14.576 3.712 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.743 -13.824 3.329 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.420 -16.408 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.895 -15.758 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.781 -16.370 4.806 1.00 0.00 H new ATOM 975 N ALA A 65 16.640 -12.521 8.010 1.00 0.00 N ATOM 976 CA ALA A 65 16.425 -11.476 9.048 1.00 0.01 C ATOM 977 C ALA A 65 17.669 -10.594 9.119 1.00 0.01 C ATOM 978 O ALA A 65 17.583 -9.386 9.143 1.00 0.01 O ATOM 979 CB ALA A 65 16.184 -12.133 10.409 1.00 0.01 C ATOM 0 H ALA A 65 16.572 -13.486 8.334 1.00 0.00 H new ATOM 0 HA ALA A 65 15.554 -10.874 8.789 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.028 -11.361 11.163 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.302 -12.771 10.354 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.051 -12.735 10.681 1.00 0.01 H new ATOM 985 N LYS A 66 18.828 -11.189 9.146 1.00 0.01 N ATOM 986 CA LYS A 66 20.077 -10.379 9.204 1.00 0.00 C ATOM 987 C LYS A 66 20.149 -9.493 7.962 1.00 0.01 C ATOM 988 O LYS A 66 20.468 -8.324 8.038 1.00 0.01 O ATOM 989 CB LYS A 66 21.278 -11.316 9.228 1.00 0.01 C ATOM 990 CG LYS A 66 21.313 -12.066 10.559 1.00 0.01 C ATOM 991 CD LYS A 66 22.519 -13.000 10.572 1.00 0.01 C ATOM 992 CE LYS A 66 22.581 -13.748 11.903 1.00 0.00 C ATOM 993 NZ LYS A 66 23.740 -14.682 11.883 1.00 0.00 N ATOM 0 H LYS A 66 18.965 -12.200 9.130 1.00 0.01 H new ATOM 0 HA LYS A 66 20.080 -9.759 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.217 -12.024 8.401 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.199 -10.748 9.094 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.375 -11.360 11.387 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.394 -12.636 10.694 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.449 -13.710 9.748 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.435 -12.428 10.423 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.681 -13.042 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.656 -14.300 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.788 -15.195 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.624 -15.362 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.618 -14.143 11.744 1.00 0.00 H new ATOM 1007 N LYS A 67 19.842 -10.039 6.816 1.00 0.00 N ATOM 1008 CA LYS A 67 19.880 -9.220 5.574 1.00 0.00 C ATOM 1009 C LYS A 67 18.833 -8.119 5.692 1.00 0.01 C ATOM 1010 O LYS A 67 19.104 -6.959 5.455 1.00 0.01 O ATOM 1011 CB LYS A 67 19.561 -10.107 4.363 1.00 0.00 C ATOM 1012 CG LYS A 67 20.592 -11.241 4.236 1.00 0.01 C ATOM 1013 CD LYS A 67 21.954 -10.682 3.800 1.00 0.00 C ATOM 1014 CE LYS A 67 22.858 -11.838 3.362 1.00 0.00 C ATOM 1015 NZ LYS A 67 24.159 -11.299 2.876 1.00 0.01 N ATOM 0 H LYS A 67 19.568 -11.013 6.688 1.00 0.00 H new ATOM 0 HA LYS A 67 20.870 -8.783 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.561 -10.528 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.561 -9.505 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.693 -11.758 5.191 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.245 -11.977 3.510 1.00 0.01 H new ATOM 0 HD2 LYS A 67 21.825 -9.975 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.416 -10.135 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.024 -12.519 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.373 -12.413 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.771 -12.085 2.579 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 23.992 -10.666 2.068 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 24.623 -10.769 3.641 1.00 0.01 H new ATOM 1029 N ILE A 68 17.638 -8.474 6.075 1.00 0.01 N ATOM 1030 CA ILE A 68 16.577 -7.448 6.231 1.00 0.00 C ATOM 1031 C ILE A 68 16.946 -6.531 7.396 1.00 0.01 C ATOM 1032 O ILE A 68 16.912 -5.322 7.288 1.00 0.00 O ATOM 1033 CB ILE A 68 15.244 -8.142 6.526 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.826 -8.975 5.311 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.172 -7.089 6.814 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.667 -9.898 5.696 1.00 0.00 C ATOM 0 H ILE A 68 17.353 -9.430 6.286 1.00 0.01 H new ATOM 0 HA ILE A 68 16.484 -6.862 5.316 1.00 0.00 H new ATOM 0 HB ILE A 68 15.356 -8.792 7.394 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.526 -8.319 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.670 -9.564 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.223 -7.583 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.470 -6.493 7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.058 -6.439 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.371 -10.490 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.983 -10.563 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.821 -9.299 6.033 1.00 0.00 H new ATOM 1048 N TYR A 69 17.293 -7.105 8.516 1.00 0.00 N ATOM 1049 CA TYR A 69 17.661 -6.278 9.696 1.00 0.01 C ATOM 1050 C TYR A 69 18.878 -5.408 9.376 1.00 0.00 C ATOM 1051 O TYR A 69 18.883 -4.216 9.606 1.00 0.01 O ATOM 1052 CB TYR A 69 18.007 -7.191 10.872 1.00 0.01 C ATOM 1053 CG TYR A 69 18.382 -6.340 12.060 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.706 -5.916 12.224 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.407 -5.974 12.997 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.055 -5.123 13.322 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.761 -5.181 14.095 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.083 -4.756 14.257 1.00 0.01 C ATOM 1059 OH TYR A 69 19.424 -3.971 15.339 1.00 0.01 O ATOM 0 H TYR A 69 17.337 -8.113 8.663 1.00 0.00 H new ATOM 0 HA TYR A 69 16.815 -5.639 9.951 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.157 -7.827 11.118 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.833 -7.851 10.606 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.458 -6.201 11.503 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.386 -6.303 12.873 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.076 -4.794 13.447 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.011 -4.897 14.819 1.00 0.01 H new ATOM 0 HH TYR A 69 18.654 -3.426 15.603 1.00 0.01 H new ATOM 1069 N ASN A 70 19.914 -5.992 8.850 1.00 0.01 N ATOM 1070 CA ASN A 70 21.127 -5.191 8.526 1.00 0.00 C ATOM 1071 C ASN A 70 20.772 -4.144 7.472 1.00 0.00 C ATOM 1072 O ASN A 70 21.338 -3.073 7.429 1.00 0.01 O ATOM 1073 CB ASN A 70 22.223 -6.109 7.979 1.00 0.00 C ATOM 1074 CG ASN A 70 22.588 -7.162 9.027 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.748 -8.322 8.707 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.727 -6.805 10.274 1.00 0.01 N ATOM 0 H ASN A 70 19.976 -6.986 8.630 1.00 0.01 H new ATOM 0 HA ASN A 70 21.487 -4.699 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.880 -6.595 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.104 -5.523 7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 70 22.970 -7.500 10.980 1.00 0.01 H new ATOM 0 HD22 ASN A 70 22.593 -5.830 10.543 1.00 0.01 H new ATOM 1083 N GLU A 71 19.866 -4.465 6.596 1.00 0.00 N ATOM 1084 CA GLU A 71 19.495 -3.506 5.517 1.00 0.00 C ATOM 1085 C GLU A 71 18.521 -2.421 6.007 1.00 0.00 C ATOM 1086 O GLU A 71 18.854 -1.257 6.061 1.00 0.00 O ATOM 1087 CB GLU A 71 18.849 -4.287 4.369 1.00 0.00 C ATOM 1088 CG GLU A 71 18.518 -3.338 3.213 1.00 0.00 C ATOM 1089 CD GLU A 71 17.950 -4.143 2.042 1.00 0.00 C ATOM 1090 OE1 GLU A 71 17.994 -5.360 2.111 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.479 -3.529 1.099 1.00 0.00 O ATOM 0 H GLU A 71 19.363 -5.352 6.578 1.00 0.00 H new ATOM 0 HA GLU A 71 20.403 -3.001 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.524 -5.071 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.941 -4.779 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.796 -2.589 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.414 -2.802 2.900 1.00 0.00 H new ATOM 1098 N PHE A 72 17.298 -2.788 6.287 1.00 0.00 N ATOM 1099 CA PHE A 72 16.264 -1.777 6.687 1.00 0.00 C ATOM 1100 C PHE A 72 16.319 -1.368 8.171 1.00 0.00 C ATOM 1101 O PHE A 72 15.834 -0.312 8.524 1.00 0.00 O ATOM 1102 CB PHE A 72 14.888 -2.377 6.406 1.00 0.00 C ATOM 1103 CG PHE A 72 14.760 -2.678 4.934 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.167 -3.921 4.435 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.242 -1.712 4.065 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.052 -4.197 3.067 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.127 -1.987 2.698 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.533 -3.231 2.198 1.00 0.00 C ATOM 0 H PHE A 72 16.965 -3.752 6.257 1.00 0.00 H new ATOM 0 HA PHE A 72 16.462 -0.874 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.752 -3.289 6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.107 -1.682 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.569 -4.667 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.930 -0.752 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.364 -5.157 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.725 -1.241 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.445 -3.444 1.143 1.00 0.00 H new ATOM 1118 N ILE A 73 16.845 -2.185 9.049 1.00 0.00 N ATOM 1119 CA ILE A 73 16.844 -1.809 10.510 1.00 0.00 C ATOM 1120 C ILE A 73 18.210 -1.270 10.960 1.00 0.00 C ATOM 1121 O ILE A 73 18.329 -0.706 12.029 1.00 0.01 O ATOM 1122 CB ILE A 73 16.492 -3.050 11.334 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.145 -3.622 10.854 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.412 -2.693 12.819 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.021 -2.581 10.987 1.00 0.00 C ATOM 0 H ILE A 73 17.271 -3.085 8.829 1.00 0.00 H new ATOM 0 HA ILE A 73 16.109 -1.019 10.663 1.00 0.00 H new ATOM 0 HB ILE A 73 17.270 -3.801 11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.231 -3.938 9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.895 -4.508 11.437 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.161 -3.584 13.394 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.375 -2.305 13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.643 -1.935 12.970 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.082 -3.013 10.641 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.921 -2.285 12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.262 -1.706 10.383 1.00 0.00 H new ATOM 1137 N SER A 74 19.239 -1.433 10.178 1.00 0.01 N ATOM 1138 CA SER A 74 20.575 -0.915 10.607 1.00 0.00 C ATOM 1139 C SER A 74 20.522 0.607 10.761 1.00 0.00 C ATOM 1140 O SER A 74 20.055 1.312 9.889 1.00 0.01 O ATOM 1141 CB SER A 74 21.630 -1.279 9.564 1.00 0.00 C ATOM 1142 OG SER A 74 21.175 -0.882 8.277 1.00 0.01 O ATOM 0 H SER A 74 19.219 -1.897 9.270 1.00 0.01 H new ATOM 0 HA SER A 74 20.836 -1.366 11.564 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.574 -0.786 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.819 -2.352 9.580 1.00 0.00 H new ATOM 0 HG SER A 74 21.482 -1.528 7.608 1.00 0.01 H new ATOM 1148 N VAL A 75 21.011 1.123 11.859 1.00 0.01 N ATOM 1149 CA VAL A 75 20.999 2.601 12.050 1.00 0.01 C ATOM 1150 C VAL A 75 21.840 3.244 10.947 1.00 0.00 C ATOM 1151 O VAL A 75 21.773 4.434 10.710 1.00 0.00 O ATOM 1152 CB VAL A 75 21.573 2.957 13.424 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.737 2.274 14.507 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.025 2.487 13.520 1.00 0.00 C ATOM 0 H VAL A 75 21.416 0.587 12.627 1.00 0.01 H new ATOM 0 HA VAL A 75 19.976 2.972 11.998 1.00 0.01 H new ATOM 0 HB VAL A 75 21.542 4.038 13.562 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.140 2.523 15.489 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.705 2.618 14.441 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.770 1.194 14.365 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.427 2.744 14.500 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.068 1.407 13.382 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.617 2.975 12.746 1.00 0.00 H new ATOM 1164 N GLN A 76 22.631 2.457 10.265 1.00 0.01 N ATOM 1165 CA GLN A 76 23.482 3.002 9.166 1.00 0.01 C ATOM 1166 C GLN A 76 22.788 2.745 7.824 1.00 0.01 C ATOM 1167 O GLN A 76 23.303 3.075 6.774 1.00 0.01 O ATOM 1168 CB GLN A 76 24.841 2.294 9.175 1.00 0.00 C ATOM 1169 CG GLN A 76 25.630 2.717 10.418 1.00 0.01 C ATOM 1170 CD GLN A 76 26.991 2.014 10.436 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.259 1.162 9.613 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.865 2.337 11.351 1.00 0.01 N ATOM 0 H GLN A 76 22.724 1.454 10.423 1.00 0.01 H new ATOM 0 HA GLN A 76 23.628 4.073 9.310 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.700 1.213 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.400 2.545 8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.769 3.798 10.421 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.069 2.466 11.318 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.639 3.053 12.042 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.773 1.874 11.375 1.00 0.01 H new ATOM 1181 N ALA A 77 21.624 2.152 7.854 1.00 0.01 N ATOM 1182 CA ALA A 77 20.894 1.869 6.582 1.00 0.00 C ATOM 1183 C ALA A 77 20.830 3.133 5.727 1.00 0.01 C ATOM 1184 O ALA A 77 20.542 4.210 6.209 1.00 0.00 O ATOM 1185 CB ALA A 77 19.467 1.413 6.893 1.00 0.00 C ATOM 0 H ALA A 77 21.147 1.851 8.704 1.00 0.01 H new ATOM 0 HA ALA A 77 21.424 1.085 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.939 1.208 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.498 0.508 7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.945 2.198 7.440 1.00 0.00 H new ATOM 1191 N THR A 78 21.080 3.001 4.454 1.00 0.01 N ATOM 1192 CA THR A 78 21.016 4.183 3.551 1.00 0.01 C ATOM 1193 C THR A 78 19.557 4.591 3.375 1.00 0.01 C ATOM 1194 O THR A 78 19.250 5.689 2.958 1.00 0.00 O ATOM 1195 CB THR A 78 21.598 3.810 2.189 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.843 2.744 1.633 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.052 3.374 2.361 1.00 0.01 C ATOM 0 H THR A 78 21.327 2.122 3.999 1.00 0.01 H new ATOM 0 HA THR A 78 21.586 5.007 3.980 1.00 0.01 H new ATOM 0 HB THR A 78 21.556 4.672 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.213 2.503 0.758 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.469 3.107 1.390 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.629 4.193 2.791 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.097 2.510 3.025 1.00 0.01 H new ATOM 1205 N LYS A 79 18.656 3.696 3.687 1.00 0.00 N ATOM 1206 CA LYS A 79 17.201 3.987 3.545 1.00 0.00 C ATOM 1207 C LYS A 79 16.473 3.554 4.821 1.00 0.00 C ATOM 1208 O LYS A 79 15.780 2.559 4.851 1.00 0.00 O ATOM 1209 CB LYS A 79 16.655 3.220 2.334 1.00 0.00 C ATOM 1210 CG LYS A 79 17.169 1.773 2.350 1.00 0.00 C ATOM 1211 CD LYS A 79 16.627 1.033 1.126 1.00 0.01 C ATOM 1212 CE LYS A 79 17.044 -0.436 1.192 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.450 -1.167 0.038 1.00 0.00 N ATOM 0 H LYS A 79 18.871 2.763 4.039 1.00 0.00 H new ATOM 0 HA LYS A 79 17.043 5.055 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.565 3.227 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.963 3.713 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.259 1.762 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.850 1.271 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.540 1.112 1.092 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.009 1.490 0.213 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.131 -0.519 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.709 -0.879 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.660 -2.182 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.420 -1.026 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.855 -0.804 -0.848 1.00 0.00 H new ATOM 1227 N GLU A 80 16.626 4.306 5.877 1.00 0.00 N ATOM 1228 CA GLU A 80 15.947 3.946 7.152 1.00 0.00 C ATOM 1229 C GLU A 80 14.435 3.920 6.934 1.00 0.00 C ATOM 1230 O GLU A 80 13.884 4.760 6.254 1.00 0.00 O ATOM 1231 CB GLU A 80 16.282 4.984 8.226 1.00 0.00 C ATOM 1232 CG GLU A 80 17.751 4.852 8.637 1.00 0.00 C ATOM 1233 CD GLU A 80 18.081 5.915 9.689 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.170 6.611 10.108 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.239 6.013 10.061 1.00 0.00 O ATOM 0 H GLU A 80 17.192 5.154 5.911 1.00 0.00 H new ATOM 0 HA GLU A 80 16.290 2.963 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.090 5.988 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.638 4.843 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.940 3.856 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.396 4.973 7.767 1.00 0.00 H new ATOM 1242 N VAL A 81 13.754 2.968 7.516 1.00 0.00 N ATOM 1243 CA VAL A 81 12.272 2.897 7.347 1.00 0.00 C ATOM 1244 C VAL A 81 11.616 3.711 8.466 1.00 0.00 C ATOM 1245 O VAL A 81 12.193 3.914 9.515 1.00 0.00 O ATOM 1246 CB VAL A 81 11.815 1.432 7.428 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.074 0.734 6.087 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.594 0.714 8.533 1.00 0.00 C ATOM 0 H VAL A 81 14.159 2.237 8.101 1.00 0.00 H new ATOM 0 HA VAL A 81 11.983 3.302 6.377 1.00 0.00 H new ATOM 0 HB VAL A 81 10.749 1.400 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.749 -0.304 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.518 1.242 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.139 0.768 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.270 -0.325 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.660 0.750 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.408 1.206 9.488 1.00 0.00 H new ATOM 1258 N ASN A 82 10.421 4.192 8.252 1.00 0.00 N ATOM 1259 CA ASN A 82 9.751 5.003 9.306 1.00 0.00 C ATOM 1260 C ASN A 82 9.260 4.088 10.425 1.00 0.00 C ATOM 1261 O ASN A 82 8.215 3.479 10.329 1.00 0.00 O ATOM 1262 CB ASN A 82 8.557 5.743 8.706 1.00 0.00 C ATOM 1263 CG ASN A 82 7.755 4.781 7.829 1.00 0.00 C ATOM 1264 OD1 ASN A 82 6.876 5.194 7.099 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.018 3.504 7.874 1.00 0.00 N ATOM 0 H ASN A 82 9.882 4.059 7.396 1.00 0.00 H new ATOM 0 HA ASN A 82 10.464 5.723 9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.925 6.142 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.900 6.592 8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.486 2.853 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.756 3.157 8.487 1.00 0.00 H new ATOM 1272 N LEU A 83 10.007 3.993 11.491 1.00 0.00 N ATOM 1273 CA LEU A 83 9.595 3.122 12.633 1.00 0.00 C ATOM 1274 C LEU A 83 9.980 3.799 13.942 1.00 0.00 C ATOM 1275 O LEU A 83 10.799 4.697 13.974 1.00 0.00 O ATOM 1276 CB LEU A 83 10.316 1.775 12.547 1.00 0.01 C ATOM 1277 CG LEU A 83 9.811 0.974 11.340 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.669 -0.287 11.191 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.331 0.580 11.534 1.00 0.00 C ATOM 0 H LEU A 83 10.891 4.484 11.622 1.00 0.00 H new ATOM 0 HA LEU A 83 8.517 2.963 12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.391 1.935 12.461 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.151 1.208 13.463 1.00 0.01 H new ATOM 0 HG LEU A 83 9.888 1.587 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.320 -0.866 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.710 -0.003 11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.588 -0.891 12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.989 0.012 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.232 -0.031 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.726 1.480 11.640 1.00 0.00 H new ATOM 1291 N ASP A 84 9.402 3.373 15.027 1.00 0.01 N ATOM 1292 CA ASP A 84 9.743 3.990 16.331 1.00 0.00 C ATOM 1293 C ASP A 84 11.166 3.589 16.708 1.00 0.00 C ATOM 1294 O ASP A 84 11.687 2.597 16.240 1.00 0.00 O ATOM 1295 CB ASP A 84 8.771 3.495 17.404 1.00 0.00 C ATOM 1296 CG ASP A 84 7.386 4.091 17.147 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.316 5.091 16.452 1.00 0.01 O ATOM 1298 OD2 ASP A 84 6.421 3.538 17.649 1.00 0.00 O ATOM 0 H ASP A 84 8.709 2.625 15.065 1.00 0.01 H new ATOM 0 HA ASP A 84 9.670 5.075 16.257 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.719 2.406 17.389 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.126 3.784 18.393 1.00 0.00 H new ATOM 1303 N SER A 85 11.798 4.358 17.541 1.00 0.00 N ATOM 1304 CA SER A 85 13.189 4.032 17.946 1.00 0.01 C ATOM 1305 C SER A 85 13.184 2.775 18.813 1.00 0.01 C ATOM 1306 O SER A 85 14.180 2.088 18.938 1.00 0.00 O ATOM 1307 CB SER A 85 13.760 5.203 18.739 1.00 0.01 C ATOM 1308 OG SER A 85 13.029 5.344 19.951 1.00 0.00 O ATOM 0 H SER A 85 11.410 5.203 17.962 1.00 0.00 H new ATOM 0 HA SER A 85 13.802 3.854 17.063 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.815 5.033 18.954 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.698 6.120 18.153 1.00 0.01 H new ATOM 0 HG SER A 85 13.392 6.094 20.467 1.00 0.00 H new ATOM 1314 N CYS A 86 12.067 2.462 19.409 1.00 0.01 N ATOM 1315 CA CYS A 86 11.991 1.245 20.262 1.00 0.01 C ATOM 1316 C CYS A 86 11.724 0.031 19.375 1.00 0.00 C ATOM 1317 O CYS A 86 12.216 -1.052 19.620 1.00 0.01 O ATOM 1318 CB CYS A 86 10.847 1.404 21.266 1.00 0.01 C ATOM 1319 SG CYS A 86 10.544 -0.178 22.091 1.00 0.01 S ATOM 0 H CYS A 86 11.202 2.998 19.341 1.00 0.01 H new ATOM 0 HA CYS A 86 12.930 1.108 20.799 1.00 0.01 H new ATOM 0 HB2 CYS A 86 11.098 2.168 22.002 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.944 1.739 20.755 1.00 0.01 H new ATOM 0 HG CYS A 86 11.100 -1.136 21.410 1.00 0.01 H new ATOM 1325 N THR A 87 10.948 0.206 18.342 1.00 0.00 N ATOM 1326 CA THR A 87 10.646 -0.932 17.431 1.00 0.00 C ATOM 1327 C THR A 87 11.945 -1.461 16.817 1.00 0.00 C ATOM 1328 O THR A 87 12.183 -2.652 16.787 1.00 0.01 O ATOM 1329 CB THR A 87 9.706 -0.459 16.321 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.502 0.019 16.904 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.394 -1.624 15.381 1.00 0.00 C ATOM 0 H THR A 87 10.509 1.091 18.089 1.00 0.00 H new ATOM 0 HA THR A 87 10.167 -1.731 17.996 1.00 0.00 H new ATOM 0 HB THR A 87 10.182 0.341 15.753 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.996 -0.734 17.273 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.724 -1.285 14.591 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.320 -1.992 14.939 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.916 -2.426 15.942 1.00 0.00 H new ATOM 1339 N ARG A 88 12.793 -0.593 16.329 1.00 0.01 N ATOM 1340 CA ARG A 88 14.070 -1.077 15.730 1.00 0.00 C ATOM 1341 C ARG A 88 14.873 -1.822 16.792 1.00 0.00 C ATOM 1342 O ARG A 88 15.304 -2.941 16.591 1.00 0.01 O ATOM 1343 CB ARG A 88 14.890 0.109 15.222 1.00 0.00 C ATOM 1344 CG ARG A 88 14.219 0.705 13.989 1.00 0.00 C ATOM 1345 CD ARG A 88 15.047 1.888 13.491 1.00 0.00 C ATOM 1346 NE ARG A 88 14.328 2.562 12.379 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.680 3.762 12.016 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.677 4.359 12.611 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.037 4.365 11.055 1.00 0.01 N ATOM 0 H ARG A 88 12.658 0.418 16.319 1.00 0.01 H new ATOM 0 HA ARG A 88 13.845 -1.743 14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.977 0.865 16.002 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.902 -0.214 14.977 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.133 -0.049 13.207 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.207 1.030 14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.222 2.592 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.024 1.545 13.151 1.00 0.00 H new ATOM 0 HE ARG A 88 13.562 2.087 11.902 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.181 3.885 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.952 5.299 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.260 3.897 10.589 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.311 5.305 10.769 1.00 0.01 H new ATOM 1363 N GLU A 89 15.061 -1.216 17.928 1.00 0.01 N ATOM 1364 CA GLU A 89 15.811 -1.891 19.017 1.00 0.01 C ATOM 1365 C GLU A 89 15.068 -3.158 19.413 1.00 0.01 C ATOM 1366 O GLU A 89 15.654 -4.187 19.679 1.00 0.00 O ATOM 1367 CB GLU A 89 15.903 -0.962 20.222 1.00 0.01 C ATOM 1368 CG GLU A 89 16.835 0.204 19.898 1.00 0.01 C ATOM 1369 CD GLU A 89 16.916 1.134 21.108 1.00 0.01 C ATOM 1370 OE1 GLU A 89 16.126 0.954 22.019 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.759 2.016 21.098 1.00 0.01 O ATOM 0 H GLU A 89 14.726 -0.278 18.149 1.00 0.01 H new ATOM 0 HA GLU A 89 16.816 -2.140 18.675 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.913 -0.588 20.482 1.00 0.01 H new ATOM 0 HB3 GLU A 89 16.275 -1.509 21.088 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.827 -0.168 19.643 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.466 0.749 19.029 1.00 0.01 H new ATOM 1378 N GLU A 90 13.769 -3.081 19.461 1.00 0.00 N ATOM 1379 CA GLU A 90 12.972 -4.268 19.851 1.00 0.01 C ATOM 1380 C GLU A 90 13.259 -5.407 18.875 1.00 0.01 C ATOM 1381 O GLU A 90 13.380 -6.549 19.269 1.00 0.01 O ATOM 1382 CB GLU A 90 11.483 -3.917 19.820 1.00 0.01 C ATOM 1383 CG GLU A 90 10.669 -5.122 20.288 1.00 0.00 C ATOM 1384 CD GLU A 90 9.186 -4.755 20.331 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.879 -3.585 20.174 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.381 -5.652 20.523 1.00 0.01 O ATOM 0 H GLU A 90 13.226 -2.244 19.246 1.00 0.00 H new ATOM 0 HA GLU A 90 13.243 -4.579 20.860 1.00 0.01 H new ATOM 0 HB2 GLU A 90 11.287 -3.059 20.463 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.186 -3.633 18.811 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.826 -5.964 19.613 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.004 -5.438 21.276 1.00 0.00 H new ATOM 1393 N THR A 91 13.380 -5.118 17.608 1.00 0.01 N ATOM 1394 CA THR A 91 13.672 -6.214 16.646 1.00 0.01 C ATOM 1395 C THR A 91 15.015 -6.837 17.022 1.00 0.01 C ATOM 1396 O THR A 91 15.153 -8.041 17.082 1.00 0.01 O ATOM 1397 CB THR A 91 13.755 -5.656 15.214 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.762 -4.659 15.036 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.525 -6.785 14.204 1.00 0.01 C ATOM 0 H THR A 91 13.291 -4.186 17.204 1.00 0.01 H new ATOM 0 HA THR A 91 12.878 -6.959 16.686 1.00 0.01 H new ATOM 0 HB THR A 91 14.743 -5.223 15.055 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.816 -4.303 14.125 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.585 -6.385 13.192 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.287 -7.553 14.337 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.539 -7.221 14.364 1.00 0.01 H new ATOM 1407 N SER A 92 16.004 -6.015 17.287 1.00 0.01 N ATOM 1408 CA SER A 92 17.344 -6.552 17.649 1.00 0.01 C ATOM 1409 C SER A 92 17.178 -7.579 18.759 1.00 0.01 C ATOM 1410 O SER A 92 17.842 -8.594 18.781 1.00 0.00 O ATOM 1411 CB SER A 92 18.246 -5.413 18.132 1.00 0.01 C ATOM 1412 OG SER A 92 17.839 -5.007 19.432 1.00 0.01 O ATOM 0 H SER A 92 15.936 -4.997 17.267 1.00 0.01 H new ATOM 0 HA SER A 92 17.801 -7.019 16.777 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.286 -5.740 18.150 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.189 -4.571 17.442 1.00 0.01 H new ATOM 0 HG SER A 92 17.038 -4.446 19.364 1.00 0.01 H new ATOM 1418 N ARG A 93 16.276 -7.349 19.663 1.00 0.01 N ATOM 1419 CA ARG A 93 16.065 -8.353 20.729 1.00 0.01 C ATOM 1420 C ARG A 93 15.516 -9.609 20.059 1.00 0.01 C ATOM 1421 O ARG A 93 15.923 -10.717 20.344 1.00 0.01 O ATOM 1422 CB ARG A 93 15.040 -7.826 21.735 1.00 0.00 C ATOM 1423 CG ARG A 93 15.545 -6.522 22.362 1.00 0.01 C ATOM 1424 CD ARG A 93 16.627 -6.805 23.412 1.00 0.01 C ATOM 1425 NE ARG A 93 16.913 -5.550 24.157 1.00 0.00 N ATOM 1426 CZ ARG A 93 17.545 -5.591 25.298 1.00 0.01 C ATOM 1427 NH1 ARG A 93 17.937 -6.734 25.790 1.00 0.00 N ATOM 1428 NH2 ARG A 93 17.785 -4.484 25.945 1.00 0.01 N ATOM 0 H ARG A 93 15.683 -6.520 19.710 1.00 0.01 H new ATOM 0 HA ARG A 93 16.996 -8.563 21.256 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.085 -7.654 21.238 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.866 -8.570 22.513 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.947 -5.872 21.585 1.00 0.01 H new ATOM 0 HG3 ARG A 93 14.714 -5.990 22.824 1.00 0.01 H new ATOM 0 HD2 ARG A 93 16.292 -7.583 24.098 1.00 0.01 H new ATOM 0 HD3 ARG A 93 17.533 -7.173 22.930 1.00 0.01 H new ATOM 0 HE ARG A 93 16.614 -4.653 23.774 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.750 -7.599 25.283 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.431 -6.763 26.682 1.00 0.00 H new ATOM 0 HH21 ARG A 93 17.479 -3.591 25.559 1.00 0.01 H new ATOM 0 HH22 ARG A 93 18.279 -4.511 26.837 1.00 0.01 H new ATOM 1442 N ASN A 94 14.595 -9.426 19.148 1.00 0.01 N ATOM 1443 CA ASN A 94 14.013 -10.585 18.421 1.00 0.01 C ATOM 1444 C ASN A 94 15.068 -11.176 17.480 1.00 0.01 C ATOM 1445 O ASN A 94 15.026 -12.342 17.142 1.00 0.01 O ATOM 1446 CB ASN A 94 12.801 -10.130 17.603 1.00 0.01 C ATOM 1447 CG ASN A 94 11.649 -9.764 18.539 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.594 -10.220 19.664 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.714 -8.954 18.117 1.00 0.01 N ATOM 0 H ASN A 94 14.221 -8.516 18.878 1.00 0.01 H new ATOM 0 HA ASN A 94 13.698 -11.340 19.141 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.068 -9.271 16.988 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.491 -10.924 16.924 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.939 -8.705 18.732 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.759 -8.571 17.173 1.00 0.01 H new ATOM 1456 N MET A 95 16.019 -10.381 17.052 1.00 0.01 N ATOM 1457 CA MET A 95 17.067 -10.907 16.130 1.00 0.01 C ATOM 1458 C MET A 95 17.811 -12.045 16.835 1.00 0.01 C ATOM 1459 O MET A 95 18.141 -13.050 16.236 1.00 0.01 O ATOM 1460 CB MET A 95 18.052 -9.789 15.750 1.00 0.01 C ATOM 1461 CG MET A 95 17.366 -8.754 14.842 1.00 0.01 C ATOM 1462 SD MET A 95 16.796 -9.528 13.309 1.00 0.01 S ATOM 1463 CE MET A 95 18.419 -9.833 12.584 1.00 0.01 C ATOM 0 H MET A 95 16.112 -9.396 17.301 1.00 0.01 H new ATOM 0 HA MET A 95 16.601 -11.277 15.217 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.424 -9.302 16.651 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.915 -10.215 15.239 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.521 -8.307 15.366 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.062 -7.947 14.611 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.323 -9.922 11.502 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.086 -9.004 12.823 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.830 -10.758 12.989 1.00 0.01 H new ATOM 1473 N LEU A 96 18.058 -11.899 18.107 1.00 0.01 N ATOM 1474 CA LEU A 96 18.762 -12.972 18.869 1.00 0.01 C ATOM 1475 C LEU A 96 17.858 -14.205 18.895 1.00 0.01 C ATOM 1476 O LEU A 96 18.314 -15.330 18.959 1.00 0.01 O ATOM 1477 CB LEU A 96 18.997 -12.499 20.306 1.00 0.01 C ATOM 1478 CG LEU A 96 19.841 -11.218 20.311 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.916 -10.674 21.740 1.00 0.01 C ATOM 1480 CD2 LEU A 96 21.261 -11.512 19.801 1.00 0.01 C ATOM 0 H LEU A 96 17.802 -11.078 18.656 1.00 0.01 H new ATOM 0 HA LEU A 96 19.718 -13.205 18.401 1.00 0.01 H new ATOM 0 HB2 LEU A 96 18.041 -12.315 20.797 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.503 -13.279 20.875 1.00 0.01 H new ATOM 0 HG LEU A 96 19.377 -10.482 19.654 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.515 -9.763 21.752 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.911 -10.452 22.098 1.00 0.01 H new ATOM 0 HD13 LEU A 96 20.376 -11.419 22.389 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.848 -10.594 19.810 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.734 -12.252 20.447 1.00 0.01 H new ATOM 0 HD23 LEU A 96 21.209 -11.899 18.783 1.00 0.01 H new ATOM 1492 N GLU A 97 16.574 -13.986 18.846 1.00 0.01 N ATOM 1493 CA GLU A 97 15.592 -15.111 18.866 1.00 0.01 C ATOM 1494 C GLU A 97 14.501 -14.805 17.831 1.00 0.01 C ATOM 1495 O GLU A 97 13.428 -14.354 18.178 1.00 0.01 O ATOM 1496 CB GLU A 97 14.957 -15.200 20.255 1.00 0.01 C ATOM 1497 CG GLU A 97 16.033 -15.520 21.293 1.00 0.01 C ATOM 1498 CD GLU A 97 15.390 -15.633 22.678 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.310 -16.191 22.765 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.991 -15.157 23.628 1.00 0.01 O ATOM 0 H GLU A 97 16.154 -13.058 18.792 1.00 0.01 H new ATOM 0 HA GLU A 97 16.086 -16.054 18.634 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.467 -14.258 20.503 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.187 -15.972 20.265 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.535 -16.453 21.036 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.794 -14.739 21.296 1.00 0.01 H new ATOM 1507 N PRO A 98 14.779 -15.022 16.563 1.00 0.01 N ATOM 1508 CA PRO A 98 13.787 -14.723 15.493 1.00 0.01 C ATOM 1509 C PRO A 98 12.482 -15.517 15.656 1.00 0.01 C ATOM 1510 O PRO A 98 12.479 -16.730 15.689 1.00 0.01 O ATOM 1511 CB PRO A 98 14.547 -15.125 14.211 1.00 0.00 C ATOM 1512 CG PRO A 98 16.017 -15.389 14.587 1.00 0.01 C ATOM 1513 CD PRO A 98 16.087 -15.576 16.109 1.00 0.01 C ATOM 0 HA PRO A 98 13.459 -13.684 15.499 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.102 -16.016 13.769 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.482 -14.332 13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.388 -16.277 14.076 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.646 -14.555 14.275 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.201 -16.625 16.384 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.929 -15.039 16.546 1.00 0.01 H new ATOM 1521 N THR A 99 11.375 -14.823 15.744 1.00 0.01 N ATOM 1522 CA THR A 99 10.048 -15.497 15.888 1.00 0.01 C ATOM 1523 C THR A 99 9.125 -14.964 14.792 1.00 0.01 C ATOM 1524 O THR A 99 9.451 -14.016 14.107 1.00 0.01 O ATOM 1525 CB THR A 99 9.451 -15.180 17.267 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.309 -13.774 17.409 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.366 -15.718 18.371 1.00 0.00 C ATOM 0 H THR A 99 11.334 -13.804 15.722 1.00 0.01 H new ATOM 0 HA THR A 99 10.161 -16.577 15.797 1.00 0.01 H new ATOM 0 HB THR A 99 8.474 -15.656 17.352 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.370 -13.556 17.584 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.934 -15.488 19.345 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.468 -16.798 18.265 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.348 -15.251 18.290 1.00 0.00 H new ATOM 1535 N ILE A 100 7.981 -15.559 14.614 1.00 0.00 N ATOM 1536 CA ILE A 100 7.055 -15.077 13.552 1.00 0.01 C ATOM 1537 C ILE A 100 6.494 -13.714 13.960 1.00 0.01 C ATOM 1538 O ILE A 100 6.021 -12.952 13.139 1.00 0.01 O ATOM 1539 CB ILE A 100 5.915 -16.092 13.372 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.093 -15.741 12.120 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.999 -16.076 14.602 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.907 -16.004 10.842 1.00 0.01 C ATOM 0 H ILE A 100 7.647 -16.356 15.156 1.00 0.00 H new ATOM 0 HA ILE A 100 7.588 -14.975 12.607 1.00 0.01 H new ATOM 0 HB ILE A 100 6.346 -17.086 13.256 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.178 -16.333 12.102 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.794 -14.693 12.157 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.194 -16.798 14.466 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.576 -16.339 15.489 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.575 -15.080 14.727 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.306 -15.749 9.969 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.809 -15.392 10.853 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.183 -17.057 10.797 1.00 0.01 H new ATOM 1554 N THR A 101 6.548 -13.400 15.225 1.00 0.00 N ATOM 1555 CA THR A 101 6.027 -12.083 15.697 1.00 0.01 C ATOM 1556 C THR A 101 7.176 -11.076 15.756 1.00 0.01 C ATOM 1557 O THR A 101 7.025 -9.965 16.226 1.00 0.01 O ATOM 1558 CB THR A 101 5.430 -12.249 17.094 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.439 -12.705 17.983 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.292 -13.269 17.044 1.00 0.01 C ATOM 0 H THR A 101 6.931 -14.000 15.956 1.00 0.00 H new ATOM 0 HA THR A 101 5.261 -11.724 15.010 1.00 0.01 H new ATOM 0 HB THR A 101 5.042 -11.292 17.443 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.060 -12.811 18.881 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.866 -13.388 18.040 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.520 -12.920 16.358 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.678 -14.228 16.698 1.00 0.01 H new ATOM 1568 N CYS A 102 8.327 -11.467 15.293 1.00 0.00 N ATOM 1569 CA CYS A 102 9.503 -10.556 15.323 1.00 0.00 C ATOM 1570 C CYS A 102 9.240 -9.296 14.483 1.00 0.01 C ATOM 1571 O CYS A 102 9.269 -8.192 14.987 1.00 0.01 O ATOM 1572 CB CYS A 102 10.713 -11.302 14.764 1.00 0.00 C ATOM 1573 SG CYS A 102 12.063 -10.139 14.445 1.00 0.01 S ATOM 0 H CYS A 102 8.506 -12.387 14.891 1.00 0.00 H new ATOM 0 HA CYS A 102 9.690 -10.246 16.351 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.039 -12.065 15.471 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.440 -11.817 13.843 1.00 0.00 H new ATOM 0 HG CYS A 102 12.115 -9.872 13.174 1.00 0.01 H new ATOM 1579 N PHE A 103 9.009 -9.446 13.201 1.00 0.00 N ATOM 1580 CA PHE A 103 8.777 -8.246 12.330 1.00 0.01 C ATOM 1581 C PHE A 103 7.278 -7.943 12.200 1.00 0.01 C ATOM 1582 O PHE A 103 6.891 -6.992 11.548 1.00 0.00 O ATOM 1583 CB PHE A 103 9.360 -8.517 10.936 1.00 0.00 C ATOM 1584 CG PHE A 103 10.873 -8.521 11.009 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.540 -9.601 11.598 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.608 -7.449 10.486 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.940 -9.608 11.667 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.008 -7.458 10.553 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.672 -8.536 11.145 1.00 0.00 C ATOM 0 H PHE A 103 8.971 -10.344 12.719 1.00 0.00 H new ATOM 0 HA PHE A 103 9.266 -7.385 12.786 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.002 -9.476 10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.022 -7.754 10.235 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.976 -10.430 12.000 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.095 -6.615 10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.454 -10.441 12.123 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.574 -6.632 10.147 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.751 -8.541 11.200 1.00 0.00 H new ATOM 1599 N ASP A 104 6.427 -8.725 12.805 1.00 0.01 N ATOM 1600 CA ASP A 104 4.963 -8.445 12.692 1.00 0.01 C ATOM 1601 C ASP A 104 4.657 -7.089 13.337 1.00 0.00 C ATOM 1602 O ASP A 104 3.865 -6.314 12.840 1.00 0.01 O ATOM 1603 CB ASP A 104 4.166 -9.528 13.417 1.00 0.01 C ATOM 1604 CG ASP A 104 4.274 -10.847 12.646 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.773 -10.817 11.533 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.847 -11.860 13.174 1.00 0.00 O ATOM 0 H ASP A 104 6.676 -9.538 13.368 1.00 0.01 H new ATOM 0 HA ASP A 104 4.683 -8.433 11.639 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.545 -9.656 14.431 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.121 -9.229 13.502 1.00 0.01 H new ATOM 1611 N GLU A 105 5.283 -6.803 14.448 1.00 0.00 N ATOM 1612 CA GLU A 105 5.037 -5.506 15.139 1.00 0.00 C ATOM 1613 C GLU A 105 5.502 -4.351 14.246 1.00 0.00 C ATOM 1614 O GLU A 105 4.864 -3.322 14.171 1.00 0.01 O ATOM 1615 CB GLU A 105 5.801 -5.480 16.469 1.00 0.00 C ATOM 1616 CG GLU A 105 5.527 -4.158 17.192 1.00 0.00 C ATOM 1617 CD GLU A 105 6.155 -4.198 18.587 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.673 -5.240 18.951 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.105 -3.186 19.267 1.00 0.00 O ATOM 0 H GLU A 105 5.957 -7.416 14.907 1.00 0.00 H new ATOM 0 HA GLU A 105 3.971 -5.396 15.337 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.493 -6.319 17.094 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.870 -5.593 16.288 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.939 -3.327 16.620 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.453 -3.990 17.270 1.00 0.00 H new ATOM 1626 N ALA A 106 6.605 -4.512 13.565 1.00 0.00 N ATOM 1627 CA ALA A 106 7.097 -3.414 12.686 1.00 0.00 C ATOM 1628 C ALA A 106 6.118 -3.223 11.522 1.00 0.00 C ATOM 1629 O ALA A 106 5.780 -2.114 11.163 1.00 0.00 O ATOM 1630 CB ALA A 106 8.482 -3.776 12.135 1.00 0.00 C ATOM 0 H ALA A 106 7.183 -5.352 13.579 1.00 0.00 H new ATOM 0 HA ALA A 106 7.169 -2.491 13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.840 -2.971 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.178 -3.916 12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.414 -4.698 11.558 1.00 0.00 H new ATOM 1636 N GLN A 107 5.646 -4.288 10.936 1.00 0.00 N ATOM 1637 CA GLN A 107 4.679 -4.133 9.815 1.00 0.00 C ATOM 1638 C GLN A 107 3.432 -3.423 10.339 1.00 0.00 C ATOM 1639 O GLN A 107 2.865 -2.570 9.684 1.00 0.00 O ATOM 1640 CB GLN A 107 4.301 -5.499 9.250 1.00 0.00 C ATOM 1641 CG GLN A 107 3.348 -5.308 8.065 1.00 0.00 C ATOM 1642 CD GLN A 107 3.291 -6.590 7.233 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.152 -7.439 7.342 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.304 -6.763 6.396 1.00 0.00 N ATOM 0 H GLN A 107 5.885 -5.249 11.182 1.00 0.00 H new ATOM 0 HA GLN A 107 5.134 -3.546 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.195 -6.034 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.825 -6.106 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.351 -5.053 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.685 -4.477 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.581 -6.049 6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.256 -7.612 5.833 1.00 0.00 H new ATOM 1653 N LYS A 108 3.012 -3.763 11.529 1.00 0.00 N ATOM 1654 CA LYS A 108 1.812 -3.111 12.121 1.00 0.00 C ATOM 1655 C LYS A 108 2.049 -1.605 12.143 1.00 0.00 C ATOM 1656 O LYS A 108 1.164 -0.820 11.866 1.00 0.00 O ATOM 1657 CB LYS A 108 1.623 -3.619 13.558 1.00 0.00 C ATOM 1658 CG LYS A 108 0.419 -2.931 14.214 1.00 0.00 C ATOM 1659 CD LYS A 108 0.253 -3.455 15.641 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.922 -2.744 16.316 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.610 -1.293 16.466 1.00 0.00 N ATOM 0 H LYS A 108 3.453 -4.469 12.118 1.00 0.00 H new ATOM 0 HA LYS A 108 0.923 -3.343 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.474 -4.699 13.552 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.523 -3.424 14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.565 -1.851 14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.485 -3.125 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.080 -4.531 15.626 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.168 -3.287 16.209 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.827 -2.872 15.722 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.116 -3.187 17.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.445 -1.075 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.243 -1.063 15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.410 -0.728 16.116 1.00 0.00 H new ATOM 1675 N LYS A 109 3.245 -1.201 12.459 1.00 0.01 N ATOM 1676 CA LYS A 109 3.556 0.250 12.487 1.00 0.00 C ATOM 1677 C LYS A 109 3.415 0.817 11.073 1.00 0.00 C ATOM 1678 O LYS A 109 2.923 1.910 10.878 1.00 0.00 O ATOM 1679 CB LYS A 109 4.989 0.461 12.986 1.00 0.00 C ATOM 1680 CG LYS A 109 5.119 0.010 14.449 1.00 0.00 C ATOM 1681 CD LYS A 109 4.351 0.965 15.375 1.00 0.01 C ATOM 1682 CE LYS A 109 4.847 0.799 16.812 1.00 0.00 C ATOM 1683 NZ LYS A 109 6.283 1.185 16.895 1.00 0.01 N ATOM 0 H LYS A 109 4.022 -1.816 12.700 1.00 0.01 H new ATOM 0 HA LYS A 109 2.866 0.761 13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.684 -0.101 12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.260 1.513 12.898 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.732 -1.003 14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.170 -0.017 14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.492 1.995 15.048 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.282 0.757 15.323 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.254 1.418 17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.719 -0.234 17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.863 0.334 17.041 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.569 1.652 16.011 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.421 1.839 17.692 1.00 0.01 H new ATOM 1697 N ILE A 110 3.847 0.080 10.087 1.00 0.00 N ATOM 1698 CA ILE A 110 3.744 0.577 8.687 1.00 0.00 C ATOM 1699 C ILE A 110 2.268 0.736 8.311 1.00 0.00 C ATOM 1700 O ILE A 110 1.868 1.750 7.773 1.00 0.00 O ATOM 1701 CB ILE A 110 4.420 -0.426 7.746 1.00 0.00 C ATOM 1702 CG1 ILE A 110 5.914 -0.555 8.102 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.270 0.031 6.295 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.621 0.810 8.042 1.00 0.00 C ATOM 0 H ILE A 110 4.266 -0.844 10.191 1.00 0.00 H new ATOM 0 HA ILE A 110 4.240 1.544 8.599 1.00 0.00 H new ATOM 0 HB ILE A 110 3.940 -1.397 7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.017 -0.977 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.396 -1.248 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.754 -0.689 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.212 0.100 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.737 1.008 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.673 0.686 8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.538 1.219 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.153 1.494 8.751 1.00 0.00 H new ATOM 1716 N PHE A 111 1.445 -0.237 8.597 1.00 0.00 N ATOM 1717 CA PHE A 111 0.001 -0.086 8.258 1.00 0.00 C ATOM 1718 C PHE A 111 -0.550 1.133 9.007 1.00 0.00 C ATOM 1719 O PHE A 111 -1.145 2.011 8.428 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.777 -1.363 8.666 1.00 0.00 C ATOM 1721 CG PHE A 111 -1.036 -2.237 7.450 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.038 -2.762 6.723 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.354 -2.509 7.047 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.203 -3.558 5.597 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.591 -3.307 5.921 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.519 -3.829 5.197 1.00 0.00 C ATOM 0 H PHE A 111 1.704 -1.117 9.044 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.117 0.057 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.207 -1.922 9.409 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.723 -1.087 9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.052 -2.553 7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.184 -2.103 7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.626 -3.964 5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.604 -3.518 5.613 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.703 -4.443 4.327 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.349 1.201 10.291 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.876 2.369 11.050 1.00 0.00 C ATOM 1738 C ASN A 112 -0.257 3.656 10.512 1.00 0.00 C ATOM 1739 O ASN A 112 -0.926 4.661 10.359 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.511 2.221 12.524 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.271 1.040 13.119 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.461 0.903 12.921 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.627 0.169 13.845 1.00 0.00 N ATOM 0 H ASN A 112 0.152 0.506 10.845 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.959 2.410 10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.563 2.067 12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.757 3.135 13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.123 -0.627 14.246 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.373 0.284 14.012 1.00 0.00 H new ATOM 1750 N LEU A 113 1.012 3.640 10.231 1.00 0.00 N ATOM 1751 CA LEU A 113 1.668 4.868 9.712 1.00 0.00 C ATOM 1752 C LEU A 113 1.072 5.254 8.358 1.00 0.00 C ATOM 1753 O LEU A 113 0.626 6.367 8.159 1.00 0.00 O ATOM 1754 CB LEU A 113 3.173 4.602 9.556 1.00 0.00 C ATOM 1755 CG LEU A 113 3.871 5.808 8.864 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.236 6.070 9.509 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.083 5.528 7.363 1.00 0.00 C ATOM 0 H LEU A 113 1.624 2.831 10.338 1.00 0.00 H new ATOM 0 HA LEU A 113 1.505 5.688 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.621 4.428 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.329 3.698 8.968 1.00 0.00 H new ATOM 0 HG LEU A 113 3.228 6.680 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.715 6.916 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.101 6.295 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.864 5.186 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.572 6.384 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.708 4.643 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.118 5.358 6.885 1.00 0.00 H new ATOM 1769 N MET A 114 1.079 4.348 7.422 1.00 0.00 N ATOM 1770 CA MET A 114 0.535 4.661 6.071 1.00 0.00 C ATOM 1771 C MET A 114 -0.992 4.830 6.130 1.00 0.00 C ATOM 1772 O MET A 114 -1.562 5.595 5.378 1.00 0.00 O ATOM 1773 CB MET A 114 0.938 3.543 5.090 1.00 0.00 C ATOM 1774 CG MET A 114 0.042 2.309 5.269 1.00 0.00 C ATOM 1775 SD MET A 114 0.976 0.808 4.860 1.00 0.00 S ATOM 1776 CE MET A 114 1.104 1.048 3.072 1.00 0.00 C ATOM 0 H MET A 114 1.439 3.400 7.534 1.00 0.00 H new ATOM 0 HA MET A 114 0.953 5.604 5.719 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.862 3.907 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.980 3.268 5.254 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.318 2.256 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.835 2.389 4.627 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.179 0.079 2.579 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.219 1.571 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.992 1.639 2.847 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.668 4.127 7.007 1.00 0.00 N ATOM 1787 CA GLU A 115 -3.154 4.282 7.080 1.00 0.00 C ATOM 1788 C GLU A 115 -3.520 5.739 7.412 1.00 0.00 C ATOM 1789 O GLU A 115 -4.304 6.364 6.732 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.738 3.355 8.169 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.985 1.952 7.610 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.617 1.075 8.694 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.652 1.512 9.833 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -5.049 -0.017 8.369 1.00 0.00 O ATOM 0 H GLU A 115 -1.262 3.462 7.666 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.574 4.012 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.051 3.300 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.672 3.772 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.642 2.005 6.742 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -3.046 1.513 7.273 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.976 6.277 8.465 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.315 7.682 8.838 1.00 0.00 C ATOM 1803 C LYS A 116 -2.530 8.672 7.971 1.00 0.01 C ATOM 1804 O LYS A 116 -2.902 9.820 7.840 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.949 7.922 10.307 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.644 6.896 11.210 1.00 0.00 C ATOM 1807 CD LYS A 116 -5.112 7.276 11.425 1.00 0.00 C ATOM 1808 CE LYS A 116 -5.753 6.266 12.376 1.00 0.00 C ATOM 1809 NZ LYS A 116 -5.878 4.955 11.682 1.00 0.00 N ATOM 0 H LYS A 116 -2.313 5.809 9.084 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.383 7.833 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.869 7.854 10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.242 8.930 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.581 5.905 10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.132 6.843 12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.184 8.282 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.642 7.285 10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.147 6.159 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.734 6.619 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.556 4.355 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.215 5.107 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.950 4.486 11.657 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.423 8.256 7.418 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.592 9.196 6.603 1.00 0.00 C ATOM 1825 C ASP A 117 -0.945 9.147 5.112 1.00 0.00 C ATOM 1826 O ASP A 117 -1.559 10.052 4.582 1.00 0.00 O ATOM 1827 CB ASP A 117 0.881 8.827 6.773 1.00 0.00 C ATOM 1828 CG ASP A 117 1.754 9.860 6.057 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.211 10.628 5.280 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.949 9.863 6.296 1.00 0.00 O ATOM 0 H ASP A 117 -1.056 7.307 7.494 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.792 10.207 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.137 8.790 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.067 7.833 6.365 1.00 0.00 H new ATOM 1835 N SER A 118 -0.506 8.134 4.419 1.00 0.00 N ATOM 1836 CA SER A 118 -0.754 8.069 2.946 1.00 0.00 C ATOM 1837 C SER A 118 -2.239 7.932 2.601 1.00 0.00 C ATOM 1838 O SER A 118 -2.702 8.509 1.644 1.00 0.01 O ATOM 1839 CB SER A 118 -0.005 6.870 2.364 1.00 0.00 C ATOM 1840 OG SER A 118 -0.607 5.669 2.834 1.00 0.00 O ATOM 0 H SER A 118 0.014 7.347 4.806 1.00 0.00 H new ATOM 0 HA SER A 118 -0.399 9.006 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.033 6.903 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.044 6.904 2.658 1.00 0.00 H new ATOM 0 HG SER A 118 -0.813 5.758 3.788 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.980 7.153 3.335 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.421 6.961 2.982 1.00 0.00 C ATOM 1848 C TYR A 119 -5.167 8.297 2.953 1.00 0.01 C ATOM 1849 O TYR A 119 -5.848 8.601 1.996 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.068 5.988 3.992 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.783 4.870 3.263 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.072 4.072 2.364 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.144 4.628 3.488 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.714 3.036 1.692 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.785 3.586 2.807 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.067 2.791 1.912 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.687 1.750 1.255 1.00 0.00 O ATOM 0 H TYR A 119 -2.659 6.643 4.158 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.486 6.534 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.303 5.572 4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.773 6.527 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.023 4.259 2.190 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.697 5.242 4.184 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.161 2.420 0.998 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.835 3.397 2.974 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.658 1.877 1.284 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.052 9.108 3.963 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.775 10.405 3.907 1.00 0.01 C ATOM 1869 C ARG A 120 -5.263 11.177 2.702 1.00 0.00 C ATOM 1870 O ARG A 120 -6.017 11.795 1.979 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.533 11.205 5.187 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.257 10.527 6.347 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.103 11.371 7.611 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.820 10.711 8.737 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.570 11.066 9.966 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -5.697 12.001 10.210 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.195 10.484 10.952 1.00 0.01 N ATOM 0 H ARG A 120 -4.503 8.937 4.806 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.847 10.232 3.817 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.465 11.266 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.893 12.227 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.313 10.403 6.107 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.848 9.530 6.511 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -5.048 11.489 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.505 12.371 7.445 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.507 9.981 8.547 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.208 12.456 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.502 12.278 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.879 9.752 10.761 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.000 10.761 11.914 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.986 11.124 2.460 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.429 11.835 1.286 1.00 0.01 C ATOM 1893 C ARG A 121 -3.872 11.110 0.007 1.00 0.01 C ATOM 1894 O ARG A 121 -4.150 11.731 -0.998 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.906 11.870 1.370 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.484 12.646 2.619 1.00 0.00 C ATOM 1897 CD ARG A 121 0.042 12.747 2.649 1.00 0.00 C ATOM 1898 NE ARG A 121 0.494 13.417 3.916 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.103 14.622 4.238 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.568 15.351 3.390 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.432 15.119 5.401 1.00 0.01 N ATOM 0 H ARG A 121 -3.305 10.618 3.026 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.797 12.861 1.270 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.509 10.855 1.407 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.492 12.341 0.478 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.927 13.642 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.846 12.143 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.481 11.752 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.393 13.312 1.785 1.00 0.00 H new ATOM 0 HE ARG A 121 1.124 12.917 4.543 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.792 14.982 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.869 16.290 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.991 14.567 6.052 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.130 16.059 5.658 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.941 9.800 0.035 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.367 9.054 -1.180 1.00 0.01 C ATOM 1917 C PHE A 122 -5.761 9.538 -1.583 1.00 0.01 C ATOM 1918 O PHE A 122 -6.030 9.780 -2.736 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.403 7.539 -0.863 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.931 6.750 -2.055 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.575 6.747 -2.361 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.835 6.031 -2.842 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.106 6.023 -3.458 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.369 5.303 -3.945 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.004 5.300 -4.253 1.00 0.00 C ATOM 0 H PHE A 122 -3.721 9.222 0.846 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.667 9.228 -1.998 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.771 7.325 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.417 7.239 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.883 7.306 -1.749 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.888 6.036 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.052 6.020 -3.694 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.062 4.745 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.643 4.740 -5.103 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.645 9.694 -0.639 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.012 10.179 -0.981 1.00 0.00 C ATOM 1937 C LEU A 123 -7.905 11.578 -1.577 1.00 0.01 C ATOM 1938 O LEU A 123 -8.600 11.925 -2.512 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.868 10.242 0.286 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.115 8.827 0.825 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.770 8.929 2.206 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.034 8.039 -0.132 1.00 0.01 C ATOM 0 H LEU A 123 -6.482 9.508 0.351 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.472 9.498 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.368 10.846 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.819 10.728 0.068 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.164 8.300 0.902 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.950 7.928 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.109 9.471 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.718 9.461 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.199 7.037 0.265 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.990 8.555 -0.225 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.563 7.968 -1.112 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.043 12.392 -1.031 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.889 13.779 -1.549 1.00 0.01 C ATOM 1956 C LYS A 124 -5.814 13.795 -2.647 1.00 0.01 C ATOM 1957 O LYS A 124 -5.518 14.827 -3.214 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.447 14.717 -0.410 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.288 14.496 0.868 1.00 0.01 C ATOM 1960 CD LYS A 124 -8.689 15.138 0.748 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.651 16.625 1.142 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.967 17.410 0.080 1.00 0.01 N ATOM 0 H LYS A 124 -6.437 12.154 -0.246 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.844 14.117 -1.952 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.394 14.548 -0.187 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.542 15.753 -0.734 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.392 13.427 1.055 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -6.765 14.920 1.725 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -9.052 15.039 -0.275 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.392 14.606 1.389 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.665 16.998 1.287 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.128 16.746 2.091 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.390 18.358 0.022 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -6.956 17.495 0.308 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.076 16.926 -0.834 1.00 0.01 H new ATOM 1976 N SER A 125 -5.217 12.665 -2.948 1.00 0.00 N ATOM 1977 CA SER A 125 -4.156 12.649 -4.002 1.00 0.01 C ATOM 1978 C SER A 125 -4.781 12.865 -5.377 1.00 0.01 C ATOM 1979 O SER A 125 -5.937 12.577 -5.603 1.00 0.01 O ATOM 1980 CB SER A 125 -3.409 11.316 -3.987 1.00 0.01 C ATOM 1981 OG SER A 125 -4.317 10.255 -4.249 1.00 0.01 O ATOM 0 H SER A 125 -5.417 11.764 -2.514 1.00 0.00 H new ATOM 0 HA SER A 125 -3.451 13.454 -3.793 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.617 11.323 -4.736 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.930 11.167 -3.019 1.00 0.01 H new ATOM 0 HG SER A 125 -5.081 10.320 -3.639 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.015 13.379 -6.294 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.538 13.643 -7.661 1.00 0.01 C ATOM 1989 C ARG A 126 -4.976 12.333 -8.329 1.00 0.00 C ATOM 1990 O ARG A 126 -5.979 12.285 -9.015 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.438 14.305 -8.500 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.309 15.789 -8.127 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.039 15.939 -6.628 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.931 15.019 -6.237 1.00 0.00 N ATOM 1995 CZ ARG A 126 -1.385 15.112 -5.058 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -1.816 16.001 -4.206 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -0.407 14.311 -4.730 1.00 0.01 N ATOM 0 H ARG A 126 -3.037 13.631 -6.153 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.402 14.304 -7.591 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.488 13.797 -8.334 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.671 14.208 -9.560 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.499 16.245 -8.697 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.224 16.319 -8.393 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.772 16.970 -6.395 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -3.939 15.707 -6.059 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.600 14.314 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.581 16.624 -4.463 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -1.388 16.073 -3.283 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -0.073 13.615 -5.396 1.00 0.01 H new ATOM 0 HH22 ARG A 126 0.022 14.382 -3.808 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.236 11.273 -8.151 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.628 9.991 -8.805 1.00 0.01 C ATOM 2013 C PHE A 127 -6.014 9.572 -8.313 1.00 0.01 C ATOM 2014 O PHE A 127 -6.906 9.304 -9.094 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.623 8.894 -8.437 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.260 9.228 -8.994 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.928 8.870 -10.305 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.326 9.896 -8.193 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.661 9.179 -10.816 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.060 10.203 -8.702 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.273 9.845 -10.014 1.00 0.00 C ATOM 0 H PHE A 127 -3.386 11.237 -7.588 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.641 10.132 -9.886 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.566 8.791 -7.353 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.960 7.935 -8.831 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.649 8.355 -10.923 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.583 10.174 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.405 8.903 -11.828 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.661 10.716 -8.083 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.250 10.083 -10.407 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.198 9.509 -7.025 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.521 9.103 -6.480 1.00 0.01 C ATOM 2033 C TYR A 128 -8.607 10.086 -6.912 1.00 0.01 C ATOM 2034 O TYR A 128 -9.656 9.700 -7.387 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.456 9.084 -4.957 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.760 8.553 -4.412 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.941 7.173 -4.262 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.785 9.438 -4.058 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.151 6.678 -3.758 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.992 8.944 -3.554 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.175 7.564 -3.403 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.366 7.077 -2.905 1.00 0.01 O ATOM 0 H TYR A 128 -5.487 9.722 -6.325 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.763 8.112 -6.863 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.627 8.459 -4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.271 10.088 -4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.149 6.491 -4.534 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.644 10.502 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.294 5.614 -3.643 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.783 9.627 -3.281 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.968 7.825 -2.708 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.370 11.355 -6.732 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.398 12.370 -7.102 1.00 0.01 C ATOM 2054 C LEU A 129 -9.712 12.274 -8.594 1.00 0.01 C ATOM 2055 O LEU A 129 -10.858 12.289 -8.994 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.861 13.768 -6.780 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.661 13.918 -5.264 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.891 15.212 -4.985 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.021 13.964 -4.541 1.00 0.01 C ATOM 0 H LEU A 129 -7.507 11.735 -6.344 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.310 12.185 -6.535 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.916 13.932 -7.298 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.557 14.526 -7.140 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.099 13.061 -4.894 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.746 15.324 -3.911 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.921 15.172 -5.480 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.458 16.062 -5.365 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -9.859 14.070 -3.468 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.599 14.813 -4.907 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.568 13.041 -4.736 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.714 12.166 -9.423 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.984 12.063 -10.883 1.00 0.91 C ATOM 2073 C ASP A 130 -9.838 10.823 -11.142 1.00 1.05 C ATOM 2074 O ASP A 130 -10.783 10.849 -11.906 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.659 11.935 -11.635 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.922 13.274 -11.586 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.591 14.293 -11.537 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.702 13.260 -11.594 1.00 3.77 O ATOM 0 H ASP A 130 -7.730 12.145 -9.156 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.511 12.953 -11.227 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.047 11.153 -11.187 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.841 11.644 -12.670 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.512 9.743 -10.500 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.300 8.500 -10.680 1.00 1.68 C ATOM 2085 C LEU A 131 -11.648 8.645 -9.967 1.00 2.00 C ATOM 2086 O LEU A 131 -12.669 8.201 -10.452 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.521 7.321 -10.090 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.226 7.089 -10.892 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.293 6.150 -10.110 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.552 6.465 -12.266 1.00 3.54 C ATOM 0 H LEU A 131 -8.727 9.667 -9.853 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.475 8.322 -11.741 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.281 7.520 -9.046 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.137 6.422 -10.110 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.732 8.048 -11.046 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.378 5.988 -10.680 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.046 6.600 -9.148 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.792 5.195 -9.946 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.628 6.306 -12.822 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.057 5.510 -12.121 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.202 7.138 -12.826 1.00 3.54 H new ATOM 2102 N THR A 132 -11.650 9.258 -8.803 1.00 2.68 N ATOM 2103 CA THR A 132 -12.917 9.437 -8.020 1.00 3.30 C ATOM 2104 C THR A 132 -13.286 10.919 -7.933 1.00 3.72 C ATOM 2105 O THR A 132 -13.262 11.507 -6.870 1.00 3.94 O ATOM 2106 CB THR A 132 -12.711 8.910 -6.601 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.572 9.537 -6.028 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.500 7.402 -6.641 1.00 4.63 C ATOM 0 H THR A 132 -10.818 9.646 -8.359 1.00 2.68 H new ATOM 0 HA THR A 132 -13.716 8.891 -8.522 1.00 3.30 H new ATOM 0 HB THR A 132 -13.591 9.133 -5.998 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.240 8.994 -5.283 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.353 7.028 -5.628 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.375 6.924 -7.081 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.620 7.174 -7.243 1.00 4.63 H new