USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0.0524 (180deg=-0.0757) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0274 (180deg=-0.406) USER MOD Single : A 28 SER OG : rot 138:sc= -0.771 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0245 (180deg=-0.319) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.832 (180deg=0.765) USER MOD Single : A 43 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.013) USER MOD Single : A 44 SER OG : rot 75:sc= 0.739 USER MOD Single : A 46 SER OG : rot 92:sc= 0.148 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.28) USER MOD Single : A 63 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.47) USER MOD Single : A 67 SER OG : rot -32:sc= 0.163 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 76 THR OG1 : rot 115:sc= 0.137 USER MOD Single : A 78 GLN : amide:sc= -1.58! C(o=-1.6!,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -0.106 (180deg=-0.556) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= -1.39 (180deg=-4.08!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.56! K(o=-4.6!,f=-2.7) USER MOD Single : A 94 LYS NZ :NH3+ -114:sc= -1.14! (180deg=-2.24!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.139 USER MOD Single : A 102 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.428 -2.515 8.938 1.00 0.20 N ATOM 37 CA LYS A 3 -1.447 -3.559 9.366 1.00 0.18 C ATOM 38 C LYS A 3 -0.080 -3.209 8.775 1.00 0.15 C ATOM 39 O LYS A 3 0.051 -2.992 7.587 1.00 0.16 O ATOM 40 CB LYS A 3 -1.905 -4.926 8.834 1.00 0.19 C ATOM 41 CG LYS A 3 -0.913 -6.031 9.266 1.00 0.20 C ATOM 42 CD LYS A 3 -1.668 -7.321 9.615 1.00 0.81 C ATOM 43 CE LYS A 3 -2.378 -7.855 8.369 1.00 1.03 C ATOM 44 NZ LYS A 3 -3.015 -9.166 8.679 1.00 1.67 N ATOM 0 HA LYS A 3 -1.382 -3.599 10.453 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.902 -5.155 9.211 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.975 -4.896 7.747 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.202 -6.224 8.463 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.337 -5.695 10.128 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -0.973 -8.068 9.998 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.394 -7.127 10.404 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -3.132 -7.143 8.035 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -1.665 -7.970 7.553 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -3.497 -9.527 7.831 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.286 -9.844 8.978 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -3.708 -9.043 9.445 1.00 1.67 H new ATOM 58 N GLN A 4 0.940 -3.146 9.591 1.00 0.15 N ATOM 59 CA GLN A 4 2.296 -2.798 9.065 1.00 0.14 C ATOM 60 C GLN A 4 3.069 -4.084 8.773 1.00 0.12 C ATOM 61 O GLN A 4 3.228 -4.938 9.625 1.00 0.13 O ATOM 62 CB GLN A 4 3.037 -1.958 10.114 1.00 0.16 C ATOM 63 CG GLN A 4 4.431 -1.582 9.593 1.00 0.17 C ATOM 64 CD GLN A 4 5.165 -0.751 10.650 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.881 -0.860 11.828 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.106 0.077 10.279 1.00 0.31 N ATOM 0 H GLN A 4 0.894 -3.320 10.595 1.00 0.15 H new ATOM 0 HA GLN A 4 2.207 -2.223 8.143 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.468 -1.056 10.338 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.126 -2.519 11.045 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.000 -2.483 9.364 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.344 -1.015 8.666 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.344 0.169 9.292 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.602 0.631 10.977 1.00 0.31 H new ATOM 75 N ILE A 5 3.551 -4.220 7.570 1.00 0.10 N ATOM 76 CA ILE A 5 4.318 -5.442 7.188 1.00 0.10 C ATOM 77 C ILE A 5 5.807 -5.110 7.233 1.00 0.10 C ATOM 78 O ILE A 5 6.281 -4.282 6.480 1.00 0.11 O ATOM 79 CB ILE A 5 3.938 -5.814 5.758 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.407 -5.840 5.603 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.503 -7.187 5.423 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.773 -6.827 6.587 1.00 0.19 C ATOM 0 H ILE A 5 3.446 -3.530 6.826 1.00 0.10 H new ATOM 0 HA ILE A 5 4.097 -6.266 7.866 1.00 0.10 H new ATOM 0 HB ILE A 5 4.351 -5.069 5.078 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.004 -4.842 5.773 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.146 -6.120 4.582 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.231 -7.453 4.401 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.589 -7.166 5.516 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.094 -7.927 6.111 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.691 -6.826 6.457 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.160 -7.828 6.398 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.016 -6.530 7.607 1.00 0.19 H new ATOM 94 N GLU A 6 6.548 -5.744 8.099 1.00 0.11 N ATOM 95 CA GLU A 6 8.008 -5.452 8.186 1.00 0.13 C ATOM 96 C GLU A 6 8.786 -6.525 7.431 1.00 0.12 C ATOM 97 O GLU A 6 9.992 -6.458 7.313 1.00 0.13 O ATOM 98 CB GLU A 6 8.431 -5.452 9.656 1.00 0.15 C ATOM 99 CG GLU A 6 7.633 -4.390 10.404 1.00 0.17 C ATOM 100 CD GLU A 6 8.119 -3.000 9.992 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.256 -2.674 10.292 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.344 -2.282 9.380 1.00 2.25 O ATOM 0 H GLU A 6 6.207 -6.451 8.750 1.00 0.11 H new ATOM 0 HA GLU A 6 8.216 -4.478 7.744 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.257 -6.433 10.097 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.499 -5.249 9.740 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.571 -4.496 10.183 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.749 -4.523 11.480 1.00 0.17 H new ATOM 109 N SER A 7 8.106 -7.514 6.902 1.00 0.12 N ATOM 110 CA SER A 7 8.834 -8.580 6.147 1.00 0.13 C ATOM 111 C SER A 7 7.938 -9.216 5.089 1.00 0.12 C ATOM 112 O SER A 7 6.727 -9.240 5.201 1.00 0.12 O ATOM 113 CB SER A 7 9.276 -9.678 7.112 1.00 0.15 C ATOM 114 OG SER A 7 8.137 -10.249 7.753 1.00 0.15 O ATOM 0 H SER A 7 7.094 -7.628 6.959 1.00 0.12 H new ATOM 0 HA SER A 7 9.693 -8.117 5.662 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.825 -10.449 6.572 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.956 -9.266 7.858 1.00 0.15 H new ATOM 0 HG SER A 7 8.427 -10.954 8.369 1.00 0.15 H new ATOM 120 N LYS A 8 8.539 -9.779 4.077 1.00 0.14 N ATOM 121 CA LYS A 8 7.744 -10.459 3.028 1.00 0.15 C ATOM 122 C LYS A 8 7.001 -11.617 3.680 1.00 0.15 C ATOM 123 O LYS A 8 5.902 -11.966 3.295 1.00 0.16 O ATOM 124 CB LYS A 8 8.660 -11.019 1.942 1.00 0.18 C ATOM 125 CG LYS A 8 7.805 -11.454 0.748 1.00 0.21 C ATOM 126 CD LYS A 8 8.610 -12.381 -0.160 1.00 0.43 C ATOM 127 CE LYS A 8 9.799 -11.621 -0.734 1.00 0.80 C ATOM 128 NZ LYS A 8 10.387 -12.407 -1.848 1.00 1.65 N ATOM 0 H LYS A 8 9.549 -9.795 3.935 1.00 0.14 H new ATOM 0 HA LYS A 8 7.054 -9.747 2.575 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.383 -10.264 1.633 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.228 -11.866 2.327 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.908 -11.964 1.099 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.475 -10.579 0.188 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.956 -13.248 0.402 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.980 -12.755 -0.967 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.482 -10.641 -1.092 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.546 -11.451 0.041 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.061 -11.814 -2.373 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.882 -13.237 -1.464 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.630 -12.721 -2.489 1.00 1.65 H new ATOM 142 N THR A 9 7.603 -12.231 4.661 1.00 0.15 N ATOM 143 CA THR A 9 6.928 -13.384 5.310 1.00 0.17 C ATOM 144 C THR A 9 5.556 -12.938 5.811 1.00 0.16 C ATOM 145 O THR A 9 4.554 -13.571 5.542 1.00 0.17 O ATOM 146 CB THR A 9 7.762 -13.875 6.491 1.00 0.19 C ATOM 147 OG1 THR A 9 9.074 -14.204 6.047 1.00 0.22 O ATOM 148 CG2 THR A 9 7.097 -15.108 7.096 1.00 0.23 C ATOM 0 H THR A 9 8.520 -11.987 5.035 1.00 0.15 H new ATOM 0 HA THR A 9 6.817 -14.194 4.589 1.00 0.17 H new ATOM 0 HB THR A 9 7.828 -13.090 7.244 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.608 -14.517 6.807 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.688 -15.463 7.940 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.095 -14.850 7.438 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.032 -15.893 6.343 1.00 0.23 H new ATOM 156 N ALA A 10 5.504 -11.842 6.516 1.00 0.15 N ATOM 157 CA ALA A 10 4.196 -11.332 7.016 1.00 0.15 C ATOM 158 C ALA A 10 3.357 -10.872 5.816 1.00 0.14 C ATOM 159 O ALA A 10 2.146 -10.935 5.838 1.00 0.15 O ATOM 160 CB ALA A 10 4.436 -10.153 7.978 1.00 0.17 C ATOM 0 H ALA A 10 6.314 -11.276 6.768 1.00 0.15 H new ATOM 0 HA ALA A 10 3.666 -12.119 7.553 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.479 -9.781 8.343 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.040 -10.488 8.821 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.959 -9.355 7.452 1.00 0.17 H new ATOM 166 N PHE A 11 3.989 -10.414 4.767 1.00 0.14 N ATOM 167 CA PHE A 11 3.214 -9.954 3.574 1.00 0.13 C ATOM 168 C PHE A 11 2.385 -11.113 3.043 1.00 0.14 C ATOM 169 O PHE A 11 1.225 -10.964 2.703 1.00 0.14 O ATOM 170 CB PHE A 11 4.193 -9.501 2.480 1.00 0.14 C ATOM 171 CG PHE A 11 3.438 -8.848 1.331 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.769 -7.633 1.530 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.428 -9.453 0.065 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.085 -7.030 0.466 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.745 -8.847 -0.997 1.00 0.14 C ATOM 176 CZ PHE A 11 2.074 -7.637 -0.797 1.00 0.14 C ATOM 0 H PHE A 11 5.003 -10.338 4.684 1.00 0.14 H new ATOM 0 HA PHE A 11 2.562 -9.127 3.855 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.914 -8.797 2.897 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.759 -10.357 2.112 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.781 -7.162 2.502 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.948 -10.387 -0.091 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.565 -6.096 0.620 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.737 -9.315 -1.971 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.547 -7.170 -1.616 1.00 0.14 H new ATOM 186 N GLN A 12 2.970 -12.272 2.978 1.00 0.14 N ATOM 187 CA GLN A 12 2.220 -13.454 2.470 1.00 0.16 C ATOM 188 C GLN A 12 1.089 -13.763 3.450 1.00 0.15 C ATOM 189 O GLN A 12 -0.028 -14.066 3.070 1.00 0.16 O ATOM 190 CB GLN A 12 3.169 -14.654 2.419 1.00 0.18 C ATOM 191 CG GLN A 12 4.315 -14.365 1.451 1.00 0.17 C ATOM 192 CD GLN A 12 3.763 -14.201 0.034 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.229 -15.135 -0.536 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.864 -13.047 -0.557 1.00 1.31 N ATOM 0 H GLN A 12 3.935 -12.454 3.254 1.00 0.14 H new ATOM 0 HA GLN A 12 1.819 -13.253 1.477 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.564 -14.860 3.414 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.627 -15.545 2.101 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.840 -13.459 1.754 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.040 -15.178 1.477 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.312 -12.266 -0.078 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.495 -12.923 -1.500 1.00 1.31 H new ATOM 203 N GLU A 13 1.384 -13.678 4.718 1.00 0.16 N ATOM 204 CA GLU A 13 0.360 -13.952 5.765 1.00 0.17 C ATOM 205 C GLU A 13 -0.730 -12.883 5.720 1.00 0.15 C ATOM 206 O GLU A 13 -1.888 -13.154 5.964 1.00 0.16 O ATOM 207 CB GLU A 13 1.036 -13.929 7.137 1.00 0.19 C ATOM 208 CG GLU A 13 2.106 -15.021 7.208 1.00 0.28 C ATOM 209 CD GLU A 13 1.439 -16.393 7.130 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.248 -16.463 7.380 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.128 -17.350 6.820 1.00 1.67 O ATOM 0 H GLU A 13 2.305 -13.427 5.078 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.091 -14.928 5.586 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.488 -12.953 7.313 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.294 -14.083 7.920 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.816 -14.903 6.390 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.671 -14.932 8.136 1.00 0.28 H new ATOM 218 N ALA A 14 -0.367 -11.663 5.430 1.00 0.15 N ATOM 219 CA ALA A 14 -1.386 -10.577 5.383 1.00 0.14 C ATOM 220 C ALA A 14 -2.302 -10.818 4.195 1.00 0.13 C ATOM 221 O ALA A 14 -3.503 -10.660 4.276 1.00 0.13 O ATOM 222 CB ALA A 14 -0.691 -9.225 5.242 1.00 0.15 C ATOM 0 H ALA A 14 0.589 -11.372 5.224 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.971 -10.575 6.303 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.439 -8.433 5.208 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.031 -9.064 6.095 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.106 -9.211 4.323 1.00 0.15 H new ATOM 228 N LEU A 15 -1.738 -11.212 3.089 1.00 0.12 N ATOM 229 CA LEU A 15 -2.560 -11.486 1.887 1.00 0.12 C ATOM 230 C LEU A 15 -3.530 -12.617 2.214 1.00 0.13 C ATOM 231 O LEU A 15 -4.695 -12.576 1.869 1.00 0.13 O ATOM 232 CB LEU A 15 -1.640 -11.918 0.741 1.00 0.13 C ATOM 233 CG LEU A 15 -0.830 -10.712 0.232 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.351 -11.213 -0.611 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.720 -9.788 -0.625 1.00 0.17 C ATOM 0 H LEU A 15 -0.735 -11.356 2.969 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.113 -10.594 1.592 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.964 -12.702 1.082 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.232 -12.338 -0.072 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.461 -10.147 1.088 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.927 -10.361 -0.973 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.990 -11.850 0.001 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.024 -11.784 -1.460 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.132 -8.940 -0.977 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.104 -10.344 -1.481 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.554 -9.426 -0.024 1.00 0.17 H new ATOM 247 N ASP A 16 -3.051 -13.627 2.890 1.00 0.13 N ATOM 248 CA ASP A 16 -3.933 -14.770 3.252 1.00 0.15 C ATOM 249 C ASP A 16 -4.974 -14.324 4.284 1.00 0.15 C ATOM 250 O ASP A 16 -6.104 -14.763 4.262 1.00 0.16 O ATOM 251 CB ASP A 16 -3.093 -15.906 3.846 1.00 0.17 C ATOM 252 CG ASP A 16 -3.924 -17.195 3.871 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.096 -17.128 3.529 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.379 -18.222 4.237 1.00 1.07 O ATOM 0 H ASP A 16 -2.085 -13.708 3.207 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.440 -15.119 2.353 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.190 -16.054 3.253 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.773 -15.647 4.855 1.00 0.17 H new ATOM 259 N ALA A 17 -4.595 -13.468 5.196 1.00 0.15 N ATOM 260 CA ALA A 17 -5.559 -13.013 6.234 1.00 0.16 C ATOM 261 C ALA A 17 -6.656 -12.167 5.582 1.00 0.15 C ATOM 262 O ALA A 17 -7.816 -12.253 5.935 1.00 0.17 O ATOM 263 CB ALA A 17 -4.812 -12.180 7.288 1.00 0.18 C ATOM 0 H ALA A 17 -3.660 -13.066 5.265 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.017 -13.878 6.714 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.514 -11.844 8.051 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.037 -12.790 7.752 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.354 -11.314 6.810 1.00 0.18 H new ATOM 269 N ALA A 18 -6.302 -11.357 4.628 1.00 0.14 N ATOM 270 CA ALA A 18 -7.324 -10.502 3.953 1.00 0.15 C ATOM 271 C ALA A 18 -8.399 -11.376 3.294 1.00 0.14 C ATOM 272 O ALA A 18 -9.542 -10.986 3.186 1.00 0.17 O ATOM 273 CB ALA A 18 -6.642 -9.662 2.881 1.00 0.15 C ATOM 0 H ALA A 18 -5.349 -11.247 4.283 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.794 -9.858 4.696 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.382 -9.035 2.384 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.883 -9.030 3.342 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.172 -10.318 2.149 1.00 0.15 H new ATOM 279 N GLY A 19 -8.042 -12.551 2.854 1.00 0.16 N ATOM 280 CA GLY A 19 -9.050 -13.446 2.211 1.00 0.20 C ATOM 281 C GLY A 19 -9.507 -12.856 0.873 1.00 0.16 C ATOM 282 O GLY A 19 -8.708 -12.532 0.022 1.00 0.17 O ATOM 0 H GLY A 19 -7.097 -12.931 2.911 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.620 -14.435 2.052 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.907 -13.574 2.872 1.00 0.20 H new ATOM 286 N ASP A 20 -10.791 -12.733 0.675 1.00 0.15 N ATOM 287 CA ASP A 20 -11.304 -12.184 -0.612 1.00 0.14 C ATOM 288 C ASP A 20 -11.480 -10.669 -0.500 1.00 0.12 C ATOM 289 O ASP A 20 -11.952 -10.021 -1.411 1.00 0.13 O ATOM 290 CB ASP A 20 -12.646 -12.842 -0.929 1.00 0.15 C ATOM 291 CG ASP A 20 -12.453 -14.356 -1.061 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.379 -14.766 -1.468 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.382 -15.080 -0.744 1.00 1.07 O ATOM 0 H ASP A 20 -11.509 -12.990 1.352 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.593 -12.394 -1.411 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.366 -12.624 -0.140 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.054 -12.434 -1.854 1.00 0.15 H new ATOM 298 N LYS A 21 -11.111 -10.097 0.609 1.00 0.12 N ATOM 299 CA LYS A 21 -11.275 -8.625 0.768 1.00 0.12 C ATOM 300 C LYS A 21 -10.196 -7.900 -0.047 1.00 0.10 C ATOM 301 O LYS A 21 -9.106 -8.405 -0.227 1.00 0.11 O ATOM 302 CB LYS A 21 -11.120 -8.255 2.247 1.00 0.15 C ATOM 303 CG LYS A 21 -12.290 -8.819 3.060 1.00 0.21 C ATOM 304 CD LYS A 21 -12.361 -8.097 4.408 1.00 0.31 C ATOM 305 CE LYS A 21 -13.483 -8.693 5.260 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.131 -10.091 5.642 1.00 1.50 N ATOM 0 H LYS A 21 -10.705 -10.581 1.410 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.263 -8.329 0.415 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.178 -8.648 2.631 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.081 -7.171 2.356 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.224 -8.688 2.514 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.158 -9.890 3.214 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.408 -8.189 4.930 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.538 -7.033 4.251 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.635 -8.088 6.154 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.421 -8.682 4.704 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.729 -10.395 6.437 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.287 -10.722 4.830 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.131 -10.132 5.925 1.00 1.50 H new ATOM 320 N LEU A 22 -10.491 -6.717 -0.547 1.00 0.11 N ATOM 321 CA LEU A 22 -9.482 -5.972 -1.354 1.00 0.12 C ATOM 322 C LEU A 22 -8.251 -5.729 -0.459 1.00 0.12 C ATOM 323 O LEU A 22 -8.353 -5.700 0.751 1.00 0.14 O ATOM 324 CB LEU A 22 -10.101 -4.622 -1.816 1.00 0.15 C ATOM 325 CG LEU A 22 -9.716 -4.266 -3.272 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.182 -2.821 -3.604 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.196 -4.360 -3.477 1.00 0.47 C ATOM 0 H LEU A 22 -11.386 -6.243 -0.428 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.186 -6.536 -2.238 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.186 -4.675 -1.732 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.769 -3.826 -1.150 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.208 -4.978 -3.935 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.908 -2.577 -4.630 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.264 -2.753 -3.492 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.701 -2.118 -2.923 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.951 -4.105 -4.508 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.694 -3.666 -2.803 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.862 -5.376 -3.266 1.00 0.47 H new ATOM 339 N VAL A 23 -7.093 -5.561 -1.041 1.00 0.11 N ATOM 340 CA VAL A 23 -5.864 -5.331 -0.231 1.00 0.11 C ATOM 341 C VAL A 23 -4.975 -4.323 -0.953 1.00 0.11 C ATOM 342 O VAL A 23 -4.398 -4.625 -1.979 1.00 0.17 O ATOM 343 CB VAL A 23 -5.101 -6.653 -0.076 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.818 -6.428 0.728 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.976 -7.668 0.653 1.00 0.12 C ATOM 0 H VAL A 23 -6.946 -5.574 -2.050 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.138 -4.949 0.753 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.846 -7.030 -1.066 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.284 -7.372 0.832 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.185 -5.708 0.209 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.071 -6.043 1.716 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.432 -8.606 0.762 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.236 -7.283 1.639 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.887 -7.841 0.080 1.00 0.12 H new ATOM 355 N VAL A 24 -4.856 -3.132 -0.428 1.00 0.09 N ATOM 356 CA VAL A 24 -3.992 -2.103 -1.080 1.00 0.09 C ATOM 357 C VAL A 24 -2.654 -2.066 -0.324 1.00 0.09 C ATOM 358 O VAL A 24 -2.626 -2.201 0.882 1.00 0.10 O ATOM 359 CB VAL A 24 -4.675 -0.730 -0.997 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.876 0.298 -1.799 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.095 -0.821 -1.562 1.00 0.14 C ATOM 0 H VAL A 24 -5.321 -2.826 0.427 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.829 -2.348 -2.130 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.719 -0.420 0.047 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.366 1.270 -1.736 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.868 0.373 -1.392 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.824 -0.015 -2.842 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.574 0.156 -1.500 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.052 -1.139 -2.604 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.671 -1.545 -0.985 1.00 0.14 H new ATOM 371 N VAL A 25 -1.541 -1.912 -1.014 1.00 0.09 N ATOM 372 CA VAL A 25 -0.208 -1.897 -0.314 1.00 0.09 C ATOM 373 C VAL A 25 0.537 -0.598 -0.635 1.00 0.10 C ATOM 374 O VAL A 25 0.816 -0.293 -1.776 1.00 0.11 O ATOM 375 CB VAL A 25 0.633 -3.084 -0.801 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.921 -3.182 0.022 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.170 -4.381 -0.655 1.00 0.10 C ATOM 0 H VAL A 25 -1.498 -1.797 -2.027 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.370 -1.967 0.762 1.00 0.09 H new ATOM 0 HB VAL A 25 0.888 -2.933 -1.850 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.514 -4.027 -0.329 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.496 -2.263 -0.092 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.671 -3.326 1.073 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.431 -5.222 -1.002 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.433 -4.530 0.392 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.080 -4.315 -1.251 1.00 0.10 H new ATOM 387 N ASP A 26 0.878 0.161 0.376 1.00 0.11 N ATOM 388 CA ASP A 26 1.626 1.444 0.160 1.00 0.12 C ATOM 389 C ASP A 26 3.128 1.228 0.406 1.00 0.14 C ATOM 390 O ASP A 26 3.545 0.825 1.471 1.00 0.20 O ATOM 391 CB ASP A 26 1.106 2.509 1.125 1.00 0.14 C ATOM 392 CG ASP A 26 1.863 3.816 0.891 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.749 4.363 -0.189 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.546 4.250 1.802 1.00 1.04 O ATOM 0 H ASP A 26 0.670 -0.053 1.351 1.00 0.11 H new ATOM 0 HA ASP A 26 1.474 1.772 -0.868 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.037 2.662 0.974 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.238 2.178 2.155 1.00 0.14 H new ATOM 399 N PHE A 27 3.942 1.499 -0.579 1.00 0.13 N ATOM 400 CA PHE A 27 5.425 1.324 -0.431 1.00 0.13 C ATOM 401 C PHE A 27 6.080 2.654 -0.086 1.00 0.22 C ATOM 402 O PHE A 27 7.257 2.849 -0.315 1.00 0.73 O ATOM 403 CB PHE A 27 6.018 0.803 -1.739 1.00 0.11 C ATOM 404 CG PHE A 27 5.696 -0.662 -1.902 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.481 -1.623 -1.252 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.626 -1.062 -2.708 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.194 -2.983 -1.408 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.340 -2.422 -2.862 1.00 0.14 C ATOM 409 CZ PHE A 27 5.123 -3.382 -2.213 1.00 0.14 C ATOM 0 H PHE A 27 3.643 1.839 -1.493 1.00 0.13 H new ATOM 0 HA PHE A 27 5.612 0.609 0.370 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.617 1.368 -2.581 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.098 0.949 -1.742 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.308 -1.314 -0.630 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.021 -0.322 -3.211 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.799 -3.724 -0.907 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.513 -2.732 -3.483 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.900 -4.432 -2.334 1.00 0.14 H new ATOM 419 N SER A 28 5.339 3.579 0.434 1.00 0.30 N ATOM 420 CA SER A 28 5.936 4.899 0.755 1.00 0.24 C ATOM 421 C SER A 28 7.161 4.750 1.645 1.00 0.24 C ATOM 422 O SER A 28 7.241 3.878 2.488 1.00 0.28 O ATOM 423 CB SER A 28 4.914 5.751 1.492 1.00 0.27 C ATOM 424 OG SER A 28 3.772 5.931 0.666 1.00 0.29 O ATOM 0 H SER A 28 4.347 3.482 0.652 1.00 0.30 H new ATOM 0 HA SER A 28 6.232 5.369 -0.183 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.629 5.270 2.427 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.347 6.718 1.750 1.00 0.27 H new ATOM 0 HG SER A 28 2.960 5.840 1.207 1.00 0.29 H new ATOM 430 N ALA A 29 8.109 5.627 1.469 1.00 0.20 N ATOM 431 CA ALA A 29 9.337 5.588 2.305 1.00 0.21 C ATOM 432 C ALA A 29 9.048 6.348 3.596 1.00 0.22 C ATOM 433 O ALA A 29 8.624 7.489 3.575 1.00 0.22 O ATOM 434 CB ALA A 29 10.493 6.271 1.554 1.00 0.19 C ATOM 0 H ALA A 29 8.084 6.375 0.776 1.00 0.20 H new ATOM 0 HA ALA A 29 9.618 4.558 2.523 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.393 6.242 2.168 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.677 5.748 0.616 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.229 7.308 1.346 1.00 0.19 H new ATOM 440 N THR A 30 9.266 5.745 4.722 1.00 0.23 N ATOM 441 CA THR A 30 8.991 6.477 5.981 1.00 0.24 C ATOM 442 C THR A 30 9.989 7.634 6.098 1.00 0.22 C ATOM 443 O THR A 30 9.663 8.710 6.559 1.00 0.22 O ATOM 444 CB THR A 30 9.160 5.528 7.172 1.00 0.28 C ATOM 445 OG1 THR A 30 8.915 6.233 8.382 1.00 0.30 O ATOM 446 CG2 THR A 30 10.582 4.964 7.185 1.00 0.29 C ATOM 0 H THR A 30 9.617 4.793 4.827 1.00 0.23 H new ATOM 0 HA THR A 30 7.972 6.863 5.977 1.00 0.24 H new ATOM 0 HB THR A 30 8.449 4.707 7.082 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.022 5.624 9.143 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.698 4.290 8.033 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.765 4.418 6.260 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.297 5.782 7.271 1.00 0.29 H new ATOM 454 N TRP A 31 11.204 7.419 5.668 1.00 0.22 N ATOM 455 CA TRP A 31 12.240 8.495 5.751 1.00 0.21 C ATOM 456 C TRP A 31 11.952 9.638 4.771 1.00 0.19 C ATOM 457 O TRP A 31 12.425 10.743 4.954 1.00 0.22 O ATOM 458 CB TRP A 31 13.604 7.908 5.410 1.00 0.23 C ATOM 459 CG TRP A 31 13.614 7.426 3.992 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.435 6.141 3.620 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.790 8.185 2.754 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.539 6.050 2.245 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.747 7.280 1.666 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.995 9.551 2.469 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.901 7.711 0.351 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.146 9.986 1.140 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.101 9.066 0.086 1.00 0.21 C ATOM 0 H TRP A 31 11.527 6.541 5.261 1.00 0.22 H new ATOM 0 HA TRP A 31 12.224 8.892 6.766 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.379 8.661 5.552 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.833 7.083 6.085 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.241 5.316 4.290 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.470 5.177 1.723 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.036 10.267 3.276 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.866 6.999 -0.461 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.297 11.035 0.932 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.221 9.405 -0.932 1.00 0.21 H new ATOM 478 N CYS A 32 11.204 9.397 3.728 1.00 0.18 N ATOM 479 CA CYS A 32 10.930 10.498 2.758 1.00 0.17 C ATOM 480 C CYS A 32 9.757 11.332 3.277 1.00 0.17 C ATOM 481 O CYS A 32 8.660 10.841 3.454 1.00 0.20 O ATOM 482 CB CYS A 32 10.582 9.901 1.384 1.00 0.18 C ATOM 483 SG CYS A 32 10.698 11.191 0.108 1.00 0.26 S ATOM 0 H CYS A 32 10.776 8.498 3.507 1.00 0.18 H new ATOM 0 HA CYS A 32 11.812 11.130 2.654 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.262 9.082 1.150 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.575 9.484 1.402 1.00 0.18 H new ATOM 488 N GLY A 33 9.989 12.590 3.539 1.00 0.20 N ATOM 489 CA GLY A 33 8.898 13.457 4.066 1.00 0.23 C ATOM 490 C GLY A 33 7.733 13.544 3.071 1.00 0.21 C ATOM 491 O GLY A 33 6.606 13.276 3.422 1.00 0.22 O ATOM 0 H GLY A 33 10.888 13.054 3.410 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.540 13.060 5.016 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.287 14.456 4.264 1.00 0.23 H new ATOM 495 N PRO A 34 7.974 13.920 1.841 1.00 0.21 N ATOM 496 CA PRO A 34 6.866 14.014 0.852 1.00 0.22 C ATOM 497 C PRO A 34 6.019 12.731 0.814 1.00 0.22 C ATOM 498 O PRO A 34 4.810 12.781 0.687 1.00 0.24 O ATOM 499 CB PRO A 34 7.628 14.214 -0.466 1.00 0.29 C ATOM 500 CG PRO A 34 9.039 14.712 -0.112 1.00 0.31 C ATOM 501 CD PRO A 34 9.329 14.295 1.346 1.00 0.24 C ATOM 0 HA PRO A 34 6.153 14.807 1.078 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.680 13.279 -1.025 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.114 14.936 -1.100 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.778 14.281 -0.788 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.101 15.795 -0.220 1.00 0.31 H new ATOM 0 HD2 PRO A 34 10.028 13.460 1.399 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.763 15.111 1.924 1.00 0.24 H new ATOM 509 N ALA A 35 6.645 11.588 0.928 1.00 0.21 N ATOM 510 CA ALA A 35 5.870 10.313 0.896 1.00 0.23 C ATOM 511 C ALA A 35 5.121 10.106 2.219 1.00 0.23 C ATOM 512 O ALA A 35 3.938 9.838 2.234 1.00 0.22 O ATOM 513 CB ALA A 35 6.831 9.142 0.667 1.00 0.24 C ATOM 0 H ALA A 35 7.653 11.483 1.041 1.00 0.21 H new ATOM 0 HA ALA A 35 5.143 10.363 0.085 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.268 8.209 0.643 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.350 9.277 -0.282 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.560 9.106 1.477 1.00 0.24 H new ATOM 519 N LYS A 36 5.796 10.231 3.325 1.00 0.25 N ATOM 520 CA LYS A 36 5.112 10.039 4.634 1.00 0.27 C ATOM 521 C LYS A 36 3.986 11.065 4.774 1.00 0.26 C ATOM 522 O LYS A 36 2.932 10.777 5.294 1.00 0.27 O ATOM 523 CB LYS A 36 6.113 10.219 5.775 1.00 0.33 C ATOM 524 CG LYS A 36 5.439 9.830 7.094 1.00 0.37 C ATOM 525 CD LYS A 36 6.366 10.162 8.262 1.00 0.44 C ATOM 526 CE LYS A 36 5.673 9.819 9.581 1.00 0.89 C ATOM 527 NZ LYS A 36 5.504 8.344 9.683 1.00 1.59 N ATOM 0 H LYS A 36 6.789 10.457 3.381 1.00 0.25 H new ATOM 0 HA LYS A 36 4.697 9.032 4.679 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.994 9.599 5.605 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.454 11.253 5.817 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.495 10.364 7.203 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.205 8.765 7.094 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.296 9.601 8.172 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.628 11.220 8.242 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.263 10.187 10.421 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.702 10.312 9.633 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.290 8.086 10.668 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.722 8.041 9.068 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.382 7.873 9.385 1.00 1.59 H new ATOM 541 N MET A 37 4.212 12.259 4.315 1.00 0.28 N ATOM 542 CA MET A 37 3.179 13.328 4.424 1.00 0.30 C ATOM 543 C MET A 37 1.894 12.886 3.746 1.00 0.25 C ATOM 544 O MET A 37 0.825 13.324 4.099 1.00 0.25 O ATOM 545 CB MET A 37 3.692 14.587 3.739 1.00 0.38 C ATOM 546 CG MET A 37 2.745 15.749 4.025 1.00 0.44 C ATOM 547 SD MET A 37 3.288 17.200 3.091 1.00 1.54 S ATOM 548 CE MET A 37 2.110 18.382 3.786 1.00 2.10 C ATOM 0 H MET A 37 5.079 12.547 3.862 1.00 0.28 H new ATOM 0 HA MET A 37 2.979 13.525 5.477 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.694 14.825 4.097 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.768 14.423 2.664 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.726 15.481 3.745 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.734 15.971 5.092 1.00 0.44 H new ATOM 0 HE1 MET A 37 2.272 19.363 3.339 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.094 18.050 3.574 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.253 18.447 4.865 1.00 2.10 H new ATOM 558 N ILE A 38 1.999 12.048 2.758 1.00 0.23 N ATOM 559 CA ILE A 38 0.788 11.574 2.027 1.00 0.25 C ATOM 560 C ILE A 38 0.146 10.373 2.742 1.00 0.26 C ATOM 561 O ILE A 38 -0.868 9.867 2.307 1.00 0.31 O ATOM 562 CB ILE A 38 1.182 11.172 0.601 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.773 12.389 -0.119 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.055 10.679 -0.168 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.555 11.931 -1.344 1.00 0.49 C ATOM 0 H ILE A 38 2.881 11.665 2.419 1.00 0.23 H new ATOM 0 HA ILE A 38 0.060 12.385 1.999 1.00 0.25 H new ATOM 0 HB ILE A 38 1.919 10.370 0.644 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.976 13.069 -0.418 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.427 12.941 0.556 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.235 10.396 -1.180 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.481 9.815 0.343 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.797 11.476 -0.213 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.974 12.799 -1.854 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.362 11.268 -1.033 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.889 11.398 -2.023 1.00 0.49 H new ATOM 577 N LYS A 39 0.717 9.883 3.811 1.00 0.27 N ATOM 578 CA LYS A 39 0.091 8.696 4.469 1.00 0.34 C ATOM 579 C LYS A 39 -1.317 8.994 5.040 1.00 0.30 C ATOM 580 O LYS A 39 -2.102 8.080 5.151 1.00 0.33 O ATOM 581 CB LYS A 39 0.998 8.088 5.570 1.00 0.46 C ATOM 582 CG LYS A 39 0.940 8.870 6.903 1.00 0.50 C ATOM 583 CD LYS A 39 1.494 7.989 8.040 1.00 0.65 C ATOM 584 CE LYS A 39 0.397 7.051 8.578 1.00 0.80 C ATOM 585 NZ LYS A 39 1.034 5.815 9.106 1.00 0.75 N ATOM 0 H LYS A 39 1.566 10.240 4.248 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.026 7.958 3.676 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.700 7.055 5.748 1.00 0.46 H new ATOM 0 HB3 LYS A 39 2.028 8.066 5.213 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.522 9.788 6.824 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.087 9.161 7.122 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.337 7.401 7.675 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.870 8.619 8.846 1.00 0.65 H new ATOM 0 HE2 LYS A 39 -0.171 7.548 9.365 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.308 6.802 7.785 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.327 5.253 9.621 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.412 5.255 8.316 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.809 6.072 9.750 1.00 0.75 H new ATOM 599 N PRO A 40 -1.653 10.213 5.468 1.00 0.26 N ATOM 600 CA PRO A 40 -2.998 10.445 6.077 1.00 0.25 C ATOM 601 C PRO A 40 -4.154 10.043 5.154 1.00 0.20 C ATOM 602 O PRO A 40 -5.111 9.458 5.595 1.00 0.21 O ATOM 603 CB PRO A 40 -2.981 11.963 6.324 1.00 0.26 C ATOM 604 CG PRO A 40 -1.518 12.402 6.307 1.00 0.28 C ATOM 605 CD PRO A 40 -0.790 11.431 5.377 1.00 0.27 C ATOM 0 HA PRO A 40 -3.163 9.845 6.972 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.549 12.485 5.554 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.445 12.203 7.281 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.424 13.427 5.950 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.092 12.374 7.310 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.726 11.812 4.358 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.230 11.235 5.708 1.00 0.27 H new ATOM 613 N PHE A 41 -4.090 10.334 3.887 1.00 0.16 N ATOM 614 CA PHE A 41 -5.225 9.926 3.019 1.00 0.13 C ATOM 615 C PHE A 41 -5.240 8.400 2.922 1.00 0.13 C ATOM 616 O PHE A 41 -6.260 7.764 3.070 1.00 0.15 O ATOM 617 CB PHE A 41 -5.032 10.525 1.623 1.00 0.14 C ATOM 618 CG PHE A 41 -5.428 11.979 1.641 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.602 12.911 2.271 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.623 12.392 1.040 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.967 14.261 2.299 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.991 13.742 1.070 1.00 0.31 C ATOM 623 CZ PHE A 41 -6.163 14.677 1.700 1.00 0.37 C ATOM 0 H PHE A 41 -3.324 10.823 3.425 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.167 10.281 3.437 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.992 10.424 1.313 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.635 9.982 0.896 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.682 12.590 2.736 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.261 11.669 0.553 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.326 14.983 2.783 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.913 14.061 0.607 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.446 15.719 1.725 1.00 0.37 H new ATOM 633 N PHE A 42 -4.095 7.811 2.721 1.00 0.12 N ATOM 634 CA PHE A 42 -4.015 6.328 2.643 1.00 0.13 C ATOM 635 C PHE A 42 -4.480 5.701 3.957 1.00 0.14 C ATOM 636 O PHE A 42 -5.355 4.860 3.990 1.00 0.16 O ATOM 637 CB PHE A 42 -2.551 5.945 2.354 1.00 0.13 C ATOM 638 CG PHE A 42 -2.405 4.443 2.323 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.778 3.729 1.179 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.916 3.760 3.447 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.667 2.338 1.156 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.801 2.363 3.420 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.177 1.654 2.274 1.00 0.13 C ATOM 0 H PHE A 42 -3.206 8.297 2.607 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.664 5.957 1.849 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.238 6.369 1.400 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.899 6.366 3.119 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.152 4.255 0.313 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.629 4.309 4.331 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.960 1.788 0.274 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.423 1.835 4.283 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.089 0.578 2.252 1.00 0.13 H new ATOM 653 N HIS A 43 -3.894 6.117 5.033 1.00 0.16 N ATOM 654 CA HIS A 43 -4.256 5.570 6.364 1.00 0.18 C ATOM 655 C HIS A 43 -5.677 5.992 6.777 1.00 0.16 C ATOM 656 O HIS A 43 -6.441 5.201 7.295 1.00 0.16 O ATOM 657 CB HIS A 43 -3.220 6.086 7.362 1.00 0.23 C ATOM 658 CG HIS A 43 -3.525 5.570 8.731 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.965 4.405 9.225 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.380 6.017 9.700 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.493 4.186 10.443 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.362 5.140 10.781 1.00 0.31 N ATOM 0 H HIS A 43 -3.163 6.828 5.050 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.254 4.480 6.337 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.222 5.769 7.059 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.220 7.176 7.367 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -4.978 6.914 9.636 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.244 3.342 11.070 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -4.898 5.212 11.646 1.00 0.31 H new ATOM 670 N SER A 44 -6.037 7.225 6.547 1.00 0.15 N ATOM 671 CA SER A 44 -7.403 7.701 6.933 1.00 0.15 C ATOM 672 C SER A 44 -8.486 6.894 6.201 1.00 0.13 C ATOM 673 O SER A 44 -9.533 6.616 6.747 1.00 0.15 O ATOM 674 CB SER A 44 -7.570 9.175 6.559 1.00 0.18 C ATOM 675 OG SER A 44 -6.617 9.957 7.267 1.00 0.22 O ATOM 0 H SER A 44 -5.444 7.929 6.107 1.00 0.15 H new ATOM 0 HA SER A 44 -7.511 7.569 8.010 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.437 9.306 5.485 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.580 9.509 6.798 1.00 0.18 H new ATOM 0 HG SER A 44 -5.730 9.829 6.871 1.00 0.22 H new ATOM 681 N LEU A 45 -8.263 6.544 4.960 1.00 0.12 N ATOM 682 CA LEU A 45 -9.310 5.786 4.195 1.00 0.14 C ATOM 683 C LEU A 45 -9.572 4.416 4.840 1.00 0.13 C ATOM 684 O LEU A 45 -10.601 3.812 4.618 1.00 0.15 O ATOM 685 CB LEU A 45 -8.860 5.571 2.745 1.00 0.16 C ATOM 686 CG LEU A 45 -8.887 6.901 1.960 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.952 6.804 0.748 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.309 7.199 1.452 1.00 0.22 C ATOM 0 H LEU A 45 -7.408 6.747 4.442 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.227 6.375 4.214 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.853 5.155 2.730 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.512 4.844 2.261 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.563 7.699 2.628 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.973 7.744 0.196 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.935 6.605 1.088 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.282 5.994 0.098 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.309 8.140 0.901 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.637 6.394 0.795 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.990 7.275 2.300 1.00 0.22 H new ATOM 700 N SER A 46 -8.650 3.900 5.610 1.00 0.12 N ATOM 701 CA SER A 46 -8.875 2.554 6.218 1.00 0.12 C ATOM 702 C SER A 46 -10.235 2.548 6.921 1.00 0.14 C ATOM 703 O SER A 46 -10.968 1.580 6.861 1.00 0.16 O ATOM 704 CB SER A 46 -7.755 2.244 7.220 1.00 0.13 C ATOM 705 OG SER A 46 -6.503 2.255 6.538 1.00 0.14 O ATOM 0 H SER A 46 -7.762 4.345 5.842 1.00 0.12 H new ATOM 0 HA SER A 46 -8.866 1.789 5.442 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.753 2.982 8.022 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.923 1.271 7.683 1.00 0.13 H new ATOM 0 HG SER A 46 -6.114 3.153 6.583 1.00 0.14 H new ATOM 711 N GLU A 47 -10.579 3.621 7.574 1.00 0.15 N ATOM 712 CA GLU A 47 -11.897 3.694 8.265 1.00 0.18 C ATOM 713 C GLU A 47 -12.984 4.076 7.258 1.00 0.18 C ATOM 714 O GLU A 47 -14.163 3.901 7.508 1.00 0.21 O ATOM 715 CB GLU A 47 -11.820 4.757 9.367 1.00 0.22 C ATOM 716 CG GLU A 47 -10.879 4.282 10.476 1.00 0.23 C ATOM 717 CD GLU A 47 -11.445 3.039 11.173 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.615 2.750 10.978 1.00 2.05 O ATOM 719 OE2 GLU A 47 -10.695 2.397 11.887 1.00 2.16 O ATOM 0 H GLU A 47 -10.001 4.457 7.660 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.140 2.725 8.702 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.463 5.700 8.952 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.813 4.945 9.775 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.899 4.055 10.056 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.736 5.080 11.205 1.00 0.23 H new ATOM 726 N LYS A 48 -12.607 4.589 6.111 1.00 0.17 N ATOM 727 CA LYS A 48 -13.642 4.952 5.105 1.00 0.19 C ATOM 728 C LYS A 48 -14.081 3.662 4.430 1.00 0.18 C ATOM 729 O LYS A 48 -15.241 3.454 4.136 1.00 0.21 O ATOM 730 CB LYS A 48 -13.078 5.932 4.070 1.00 0.20 C ATOM 731 CG LYS A 48 -14.225 6.409 3.177 1.00 0.30 C ATOM 732 CD LYS A 48 -13.682 7.263 2.037 1.00 0.82 C ATOM 733 CE LYS A 48 -14.842 7.720 1.149 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.319 8.613 0.083 1.00 1.78 N ATOM 0 H LYS A 48 -11.642 4.768 5.835 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.486 5.445 5.588 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.608 6.780 4.568 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.307 5.448 3.470 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.763 5.551 2.774 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.939 6.986 3.766 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.152 8.128 2.436 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.963 6.692 1.450 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.338 6.857 0.706 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.588 8.245 1.746 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.104 8.926 -0.523 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.864 9.442 0.517 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.622 8.097 -0.491 1.00 1.78 H new ATOM 748 N TYR A 49 -13.147 2.771 4.227 1.00 0.16 N ATOM 749 CA TYR A 49 -13.465 1.439 3.626 1.00 0.17 C ATOM 750 C TYR A 49 -12.965 0.374 4.592 1.00 0.16 C ATOM 751 O TYR A 49 -12.040 -0.363 4.311 1.00 0.16 O ATOM 752 CB TYR A 49 -12.759 1.276 2.280 1.00 0.17 C ATOM 753 CG TYR A 49 -13.285 2.296 1.295 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.568 2.143 0.756 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.495 3.389 0.917 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.061 3.079 -0.163 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.986 4.325 -0.005 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.271 4.168 -0.545 1.00 0.21 C ATOM 759 OH TYR A 49 -14.757 5.080 -1.467 1.00 0.25 O ATOM 0 H TYR A 49 -12.163 2.910 4.455 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.538 1.349 3.459 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.684 1.401 2.406 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.920 0.269 1.895 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.179 1.302 1.049 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.507 3.511 1.336 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.052 2.959 -0.576 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.375 5.166 -0.299 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.086 5.777 -1.623 1.00 0.25 H new ATOM 769 N SER A 50 -13.594 0.289 5.734 1.00 0.17 N ATOM 770 CA SER A 50 -13.198 -0.711 6.752 1.00 0.18 C ATOM 771 C SER A 50 -13.434 -2.105 6.181 1.00 0.19 C ATOM 772 O SER A 50 -12.998 -3.101 6.726 1.00 0.21 O ATOM 773 CB SER A 50 -14.044 -0.490 8.007 1.00 0.20 C ATOM 774 OG SER A 50 -15.388 -0.864 7.738 1.00 0.22 O ATOM 0 H SER A 50 -14.378 0.883 6.003 1.00 0.17 H new ATOM 0 HA SER A 50 -12.145 -0.609 7.013 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.649 -1.079 8.834 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.999 0.556 8.311 1.00 0.20 H new ATOM 0 HG SER A 50 -15.933 -0.725 8.541 1.00 0.22 H new ATOM 780 N ASN A 51 -14.103 -2.179 5.065 1.00 0.20 N ATOM 781 CA ASN A 51 -14.361 -3.501 4.426 1.00 0.23 C ATOM 782 C ASN A 51 -13.204 -3.814 3.489 1.00 0.19 C ATOM 783 O ASN A 51 -13.216 -4.787 2.760 1.00 0.22 O ATOM 784 CB ASN A 51 -15.659 -3.439 3.625 1.00 0.32 C ATOM 785 CG ASN A 51 -16.062 -4.847 3.174 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.451 -5.670 3.980 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.984 -5.160 1.905 1.00 0.27 N ATOM 0 H ASN A 51 -14.485 -1.376 4.564 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.450 -4.274 5.189 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.451 -3.002 4.233 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.530 -2.793 2.757 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.250 -6.094 1.593 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.658 -4.470 1.229 1.00 0.27 H new ATOM 794 N VAL A 52 -12.200 -2.981 3.517 1.00 0.21 N ATOM 795 CA VAL A 52 -11.001 -3.177 2.661 1.00 0.17 C ATOM 796 C VAL A 52 -9.779 -3.161 3.580 1.00 0.13 C ATOM 797 O VAL A 52 -9.751 -2.452 4.568 1.00 0.14 O ATOM 798 CB VAL A 52 -10.923 -2.043 1.626 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.544 -2.043 0.938 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.040 -2.243 0.587 1.00 0.24 C ATOM 0 H VAL A 52 -12.162 -2.154 4.113 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.047 -4.122 2.120 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.054 -1.082 2.123 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.502 -1.235 0.207 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.764 -1.897 1.686 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.389 -2.997 0.434 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.995 -1.444 -0.153 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.908 -3.205 0.092 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.009 -2.222 1.086 1.00 0.24 H new ATOM 810 N ILE A 53 -8.786 -3.962 3.297 1.00 0.11 N ATOM 811 CA ILE A 53 -7.579 -4.012 4.194 1.00 0.09 C ATOM 812 C ILE A 53 -6.446 -3.173 3.595 1.00 0.09 C ATOM 813 O ILE A 53 -5.983 -3.434 2.506 1.00 0.12 O ATOM 814 CB ILE A 53 -7.115 -5.468 4.318 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.288 -6.366 4.743 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.997 -5.586 5.358 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.967 -5.811 6.002 1.00 0.15 C ATOM 0 H ILE A 53 -8.752 -4.584 2.489 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.839 -3.613 5.175 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.742 -5.789 3.345 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.013 -6.433 3.932 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.928 -7.377 4.933 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.679 -6.626 5.434 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.151 -4.969 5.055 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.364 -5.247 6.327 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.794 -6.461 6.286 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.244 -5.768 6.816 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.346 -4.809 5.799 1.00 0.15 H new ATOM 829 N PHE A 54 -5.986 -2.173 4.305 1.00 0.08 N ATOM 830 CA PHE A 54 -4.872 -1.319 3.783 1.00 0.09 C ATOM 831 C PHE A 54 -3.542 -1.747 4.442 1.00 0.09 C ATOM 832 O PHE A 54 -3.442 -1.836 5.652 1.00 0.12 O ATOM 833 CB PHE A 54 -5.170 0.144 4.136 1.00 0.10 C ATOM 834 CG PHE A 54 -6.391 0.632 3.379 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.671 0.229 3.780 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.247 1.509 2.292 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.802 0.700 3.095 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.379 1.973 1.609 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.654 1.571 2.012 1.00 0.10 C ATOM 0 H PHE A 54 -6.334 -1.910 5.227 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.789 -1.433 2.702 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.337 0.239 5.209 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.309 0.767 3.891 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.788 -0.444 4.616 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.262 1.826 1.982 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.788 0.389 3.405 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.265 2.643 0.769 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.526 1.933 1.487 1.00 0.10 H new ATOM 849 N LEU A 55 -2.512 -2.004 3.654 1.00 0.09 N ATOM 850 CA LEU A 55 -1.173 -2.412 4.222 1.00 0.11 C ATOM 851 C LEU A 55 -0.160 -1.289 4.014 1.00 0.10 C ATOM 852 O LEU A 55 -0.105 -0.684 2.963 1.00 0.10 O ATOM 853 CB LEU A 55 -0.621 -3.687 3.525 1.00 0.12 C ATOM 854 CG LEU A 55 -1.310 -4.974 4.027 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.812 -4.764 4.229 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.078 -6.107 3.013 1.00 0.22 C ATOM 0 H LEU A 55 -2.542 -1.948 2.636 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.319 -2.617 5.283 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.761 -3.599 2.448 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.452 -3.759 3.702 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.875 -5.239 4.991 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.265 -5.690 4.583 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -2.974 -3.977 4.966 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.269 -4.475 3.283 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.564 -7.017 3.366 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.497 -5.823 2.048 1.00 0.22 H new ATOM 0 HD23 LEU A 55 -0.008 -6.286 2.905 1.00 0.22 H new ATOM 868 N GLU A 56 0.675 -1.046 4.995 1.00 0.12 N ATOM 869 CA GLU A 56 1.731 0.001 4.854 1.00 0.13 C ATOM 870 C GLU A 56 3.070 -0.731 4.774 1.00 0.13 C ATOM 871 O GLU A 56 3.329 -1.627 5.553 1.00 0.14 O ATOM 872 CB GLU A 56 1.722 0.932 6.071 1.00 0.15 C ATOM 873 CG GLU A 56 2.625 2.138 5.803 1.00 0.17 C ATOM 874 CD GLU A 56 2.684 3.008 7.059 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.205 2.536 8.055 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.191 4.125 7.009 1.00 1.13 O ATOM 0 H GLU A 56 0.669 -1.532 5.892 1.00 0.12 H new ATOM 0 HA GLU A 56 1.557 0.609 3.966 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.705 1.266 6.279 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.068 0.395 6.954 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.626 1.805 5.529 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.241 2.716 4.963 1.00 0.17 H new ATOM 883 N VAL A 57 3.909 -0.396 3.827 1.00 0.12 N ATOM 884 CA VAL A 57 5.218 -1.117 3.688 1.00 0.12 C ATOM 885 C VAL A 57 6.375 -0.113 3.588 1.00 0.11 C ATOM 886 O VAL A 57 6.345 0.813 2.799 1.00 0.13 O ATOM 887 CB VAL A 57 5.169 -1.974 2.420 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.463 -2.776 2.297 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.973 -2.931 2.508 1.00 0.14 C ATOM 0 H VAL A 57 3.748 0.344 3.144 1.00 0.12 H new ATOM 0 HA VAL A 57 5.383 -1.745 4.563 1.00 0.12 H new ATOM 0 HB VAL A 57 5.061 -1.333 1.545 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.428 -3.386 1.394 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.311 -2.093 2.241 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.575 -3.422 3.168 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.931 -3.545 1.608 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.085 -3.574 3.381 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.052 -2.355 2.597 1.00 0.14 H new ATOM 899 N ASP A 58 7.401 -0.305 4.380 1.00 0.10 N ATOM 900 CA ASP A 58 8.576 0.611 4.345 1.00 0.09 C ATOM 901 C ASP A 58 9.605 0.031 3.384 1.00 0.09 C ATOM 902 O ASP A 58 10.089 -1.069 3.574 1.00 0.09 O ATOM 903 CB ASP A 58 9.194 0.691 5.743 1.00 0.10 C ATOM 904 CG ASP A 58 10.236 1.812 5.780 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.200 2.653 4.895 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.050 1.813 6.687 1.00 1.02 O ATOM 0 H ASP A 58 7.472 -1.066 5.055 1.00 0.10 H new ATOM 0 HA ASP A 58 8.269 1.606 4.023 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.418 0.878 6.485 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.659 -0.260 6.001 1.00 0.10 H new ATOM 911 N VAL A 59 9.970 0.748 2.367 1.00 0.09 N ATOM 912 CA VAL A 59 10.986 0.199 1.437 1.00 0.10 C ATOM 913 C VAL A 59 12.326 0.130 2.173 1.00 0.11 C ATOM 914 O VAL A 59 13.231 -0.559 1.765 1.00 0.12 O ATOM 915 CB VAL A 59 11.119 1.112 0.220 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.798 1.120 -0.549 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.445 2.539 0.670 1.00 0.16 C ATOM 0 H VAL A 59 9.616 1.677 2.140 1.00 0.09 H new ATOM 0 HA VAL A 59 10.687 -0.794 1.102 1.00 0.10 H new ATOM 0 HB VAL A 59 11.922 0.743 -0.419 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.887 1.770 -1.419 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.561 0.107 -0.876 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.002 1.488 0.099 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.538 3.184 -0.204 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.645 2.910 1.311 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.384 2.540 1.224 1.00 0.16 H new ATOM 927 N ASP A 60 12.459 0.867 3.248 1.00 0.10 N ATOM 928 CA ASP A 60 13.745 0.868 4.012 1.00 0.12 C ATOM 929 C ASP A 60 13.744 -0.170 5.152 1.00 0.13 C ATOM 930 O ASP A 60 14.737 -0.832 5.376 1.00 0.15 O ATOM 931 CB ASP A 60 13.961 2.273 4.571 1.00 0.14 C ATOM 932 CG ASP A 60 14.507 3.178 3.464 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.712 3.685 2.692 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.718 3.334 3.399 1.00 1.07 O ATOM 0 H ASP A 60 11.730 1.470 3.630 1.00 0.10 H new ATOM 0 HA ASP A 60 14.557 0.590 3.340 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.022 2.673 4.954 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.659 2.241 5.408 1.00 0.14 H new ATOM 939 N ASP A 61 12.653 -0.337 5.862 1.00 0.13 N ATOM 940 CA ASP A 61 12.633 -1.361 6.968 1.00 0.15 C ATOM 941 C ASP A 61 11.983 -2.630 6.430 1.00 0.14 C ATOM 942 O ASP A 61 12.063 -3.689 7.021 1.00 0.19 O ATOM 943 CB ASP A 61 11.817 -0.857 8.166 1.00 0.16 C ATOM 944 CG ASP A 61 12.488 0.384 8.757 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.535 0.760 8.254 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.948 0.933 9.702 1.00 1.07 O ATOM 0 H ASP A 61 11.784 0.181 5.730 1.00 0.13 H new ATOM 0 HA ASP A 61 13.654 -1.550 7.299 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.801 -0.619 7.852 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.742 -1.638 8.923 1.00 0.16 H new ATOM 951 N ALA A 62 11.331 -2.516 5.302 1.00 0.11 N ATOM 952 CA ALA A 62 10.654 -3.687 4.669 1.00 0.12 C ATOM 953 C ALA A 62 11.152 -3.785 3.230 1.00 0.11 C ATOM 954 O ALA A 62 10.407 -4.044 2.306 1.00 0.12 O ATOM 955 CB ALA A 62 9.134 -3.475 4.700 1.00 0.14 C ATOM 0 H ALA A 62 11.238 -1.643 4.783 1.00 0.11 H new ATOM 0 HA ALA A 62 10.880 -4.609 5.205 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.638 -4.329 4.238 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.801 -3.377 5.733 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.882 -2.568 4.150 1.00 0.14 H new ATOM 961 N GLN A 63 12.410 -3.536 3.052 1.00 0.11 N ATOM 962 CA GLN A 63 13.009 -3.567 1.698 1.00 0.12 C ATOM 963 C GLN A 63 12.837 -4.952 1.080 1.00 0.12 C ATOM 964 O GLN A 63 12.857 -5.105 -0.121 1.00 0.14 O ATOM 965 CB GLN A 63 14.498 -3.230 1.812 1.00 0.13 C ATOM 966 CG GLN A 63 15.217 -4.335 2.591 1.00 0.15 C ATOM 967 CD GLN A 63 16.639 -3.880 2.922 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.848 -2.772 3.378 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.638 -4.694 2.711 1.00 1.43 N ATOM 0 H GLN A 63 13.062 -3.308 3.802 1.00 0.11 H new ATOM 0 HA GLN A 63 12.511 -2.838 1.059 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.935 -3.128 0.819 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.627 -2.273 2.317 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.673 -4.562 3.508 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.244 -5.252 2.002 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.466 -5.624 2.329 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.590 -4.400 2.929 1.00 1.43 H new ATOM 978 N ASP A 64 12.665 -5.964 1.881 1.00 0.13 N ATOM 979 CA ASP A 64 12.486 -7.323 1.317 1.00 0.13 C ATOM 980 C ASP A 64 11.192 -7.364 0.509 1.00 0.15 C ATOM 981 O ASP A 64 11.127 -7.960 -0.548 1.00 0.16 O ATOM 982 CB ASP A 64 12.435 -8.339 2.466 1.00 0.17 C ATOM 983 CG ASP A 64 11.430 -7.874 3.515 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.272 -7.735 3.177 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.842 -7.648 4.642 1.00 1.05 O ATOM 0 H ASP A 64 12.641 -5.907 2.899 1.00 0.13 H new ATOM 0 HA ASP A 64 13.319 -7.573 0.660 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.151 -9.320 2.085 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.422 -8.445 2.915 1.00 0.17 H new ATOM 990 N VAL A 65 10.159 -6.733 0.991 1.00 0.17 N ATOM 991 CA VAL A 65 8.875 -6.749 0.245 1.00 0.22 C ATOM 992 C VAL A 65 9.002 -5.925 -1.039 1.00 0.22 C ATOM 993 O VAL A 65 8.555 -6.328 -2.096 1.00 0.26 O ATOM 994 CB VAL A 65 7.786 -6.105 1.107 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.417 -6.335 0.470 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.808 -6.693 2.524 1.00 0.32 C ATOM 0 H VAL A 65 10.150 -6.209 1.866 1.00 0.17 H new ATOM 0 HA VAL A 65 8.623 -7.782 0.004 1.00 0.22 H new ATOM 0 HB VAL A 65 7.977 -5.034 1.170 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.646 -5.874 1.088 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.399 -5.889 -0.525 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.227 -7.406 0.391 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.028 -6.225 3.124 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.632 -7.768 2.475 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.780 -6.505 2.981 1.00 0.32 H new ATOM 1006 N ALA A 66 9.586 -4.762 -0.942 1.00 0.19 N ATOM 1007 CA ALA A 66 9.726 -3.883 -2.135 1.00 0.22 C ATOM 1008 C ALA A 66 10.773 -4.446 -3.103 1.00 0.23 C ATOM 1009 O ALA A 66 10.632 -4.356 -4.306 1.00 0.26 O ATOM 1010 CB ALA A 66 10.142 -2.479 -1.674 1.00 0.25 C ATOM 0 H ALA A 66 9.975 -4.381 -0.079 1.00 0.19 H new ATOM 0 HA ALA A 66 8.771 -3.835 -2.658 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.247 -1.827 -2.542 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.381 -2.075 -1.007 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.094 -2.537 -1.146 1.00 0.25 H new ATOM 1016 N SER A 67 11.833 -5.011 -2.592 1.00 0.21 N ATOM 1017 CA SER A 67 12.885 -5.552 -3.500 1.00 0.23 C ATOM 1018 C SER A 67 12.292 -6.638 -4.398 1.00 0.23 C ATOM 1019 O SER A 67 12.599 -6.715 -5.569 1.00 0.24 O ATOM 1020 CB SER A 67 14.030 -6.139 -2.674 1.00 0.23 C ATOM 1021 OG SER A 67 13.534 -7.209 -1.880 1.00 0.22 O ATOM 0 H SER A 67 12.016 -5.121 -1.595 1.00 0.21 H new ATOM 0 HA SER A 67 13.266 -4.742 -4.122 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.823 -6.496 -3.332 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.466 -5.370 -2.037 1.00 0.23 H new ATOM 0 HG SER A 67 12.604 -7.028 -1.631 1.00 0.22 H new ATOM 1027 N GLU A 68 11.432 -7.465 -3.870 1.00 0.23 N ATOM 1028 CA GLU A 68 10.811 -8.526 -4.708 1.00 0.25 C ATOM 1029 C GLU A 68 9.983 -7.874 -5.821 1.00 0.22 C ATOM 1030 O GLU A 68 9.927 -8.356 -6.936 1.00 0.24 O ATOM 1031 CB GLU A 68 9.914 -9.401 -3.831 1.00 0.29 C ATOM 1032 CG GLU A 68 9.455 -10.628 -4.617 1.00 0.32 C ATOM 1033 CD GLU A 68 10.637 -11.571 -4.838 1.00 1.27 C ATOM 1034 OE1 GLU A 68 11.687 -11.321 -4.273 1.00 2.06 O ATOM 1035 OE2 GLU A 68 10.472 -12.530 -5.573 1.00 1.96 O ATOM 0 H GLU A 68 11.133 -7.451 -2.895 1.00 0.23 H new ATOM 0 HA GLU A 68 11.587 -9.146 -5.157 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.456 -9.712 -2.938 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.049 -8.829 -3.496 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.663 -11.144 -4.074 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.037 -10.322 -5.576 1.00 0.32 H new ATOM 1042 N ALA A 69 9.330 -6.780 -5.523 1.00 0.20 N ATOM 1043 CA ALA A 69 8.497 -6.096 -6.554 1.00 0.20 C ATOM 1044 C ALA A 69 9.366 -5.164 -7.405 1.00 0.19 C ATOM 1045 O ALA A 69 8.883 -4.498 -8.299 1.00 0.20 O ATOM 1046 CB ALA A 69 7.397 -5.283 -5.869 1.00 0.23 C ATOM 0 H ALA A 69 9.339 -6.331 -4.607 1.00 0.20 H new ATOM 0 HA ALA A 69 8.047 -6.850 -7.200 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.790 -4.784 -6.624 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.767 -5.948 -5.278 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.849 -4.537 -5.216 1.00 0.23 H new ATOM 1052 N GLU A 70 10.643 -5.103 -7.139 1.00 0.18 N ATOM 1053 CA GLU A 70 11.532 -4.213 -7.945 1.00 0.18 C ATOM 1054 C GLU A 70 10.949 -2.804 -7.970 1.00 0.17 C ATOM 1055 O GLU A 70 10.801 -2.212 -9.023 1.00 0.18 O ATOM 1056 CB GLU A 70 11.630 -4.707 -9.388 1.00 0.22 C ATOM 1057 CG GLU A 70 12.192 -6.125 -9.437 1.00 0.24 C ATOM 1058 CD GLU A 70 13.652 -6.133 -8.980 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.297 -5.106 -9.106 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.103 -7.170 -8.523 1.00 2.02 O ATOM 0 H GLU A 70 11.110 -5.629 -6.400 1.00 0.18 H new ATOM 0 HA GLU A 70 12.522 -4.218 -7.489 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.644 -4.685 -9.853 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.269 -4.037 -9.964 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.600 -6.780 -8.798 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.119 -6.518 -10.451 1.00 0.24 H new ATOM 1067 N VAL A 71 10.606 -2.248 -6.849 1.00 0.15 N ATOM 1068 CA VAL A 71 10.021 -0.889 -6.892 1.00 0.14 C ATOM 1069 C VAL A 71 11.083 0.069 -7.427 1.00 0.14 C ATOM 1070 O VAL A 71 12.235 0.016 -7.042 1.00 0.16 O ATOM 1071 CB VAL A 71 9.592 -0.450 -5.493 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.866 0.892 -5.606 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.661 -1.503 -4.878 1.00 0.15 C ATOM 0 H VAL A 71 10.702 -2.665 -5.923 1.00 0.15 H new ATOM 0 HA VAL A 71 9.142 -0.885 -7.537 1.00 0.14 H new ATOM 0 HB VAL A 71 10.466 -0.345 -4.850 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.552 1.221 -4.615 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.538 1.634 -6.039 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.990 0.779 -6.245 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.359 -1.184 -3.881 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.777 -1.618 -5.505 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.185 -2.457 -4.811 1.00 0.15 H new ATOM 1083 N LYS A 72 10.706 0.927 -8.342 1.00 0.15 N ATOM 1084 CA LYS A 72 11.682 1.877 -8.942 1.00 0.16 C ATOM 1085 C LYS A 72 11.437 3.289 -8.403 1.00 0.15 C ATOM 1086 O LYS A 72 12.247 4.175 -8.579 1.00 0.16 O ATOM 1087 CB LYS A 72 11.505 1.853 -10.464 1.00 0.19 C ATOM 1088 CG LYS A 72 11.780 0.431 -11.006 1.00 0.23 C ATOM 1089 CD LYS A 72 13.293 0.175 -11.093 1.00 0.74 C ATOM 1090 CE LYS A 72 13.557 -1.064 -11.949 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.025 -1.287 -12.017 1.00 1.60 N ATOM 0 H LYS A 72 9.754 1.008 -8.700 1.00 0.15 H new ATOM 0 HA LYS A 72 12.699 1.584 -8.682 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.493 2.161 -10.726 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.186 2.566 -10.929 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.316 -0.310 -10.354 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.328 0.317 -11.991 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.794 1.041 -11.525 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.706 0.034 -10.094 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.061 -1.934 -11.519 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.148 -0.927 -12.950 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.222 -2.128 -12.597 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.483 -0.457 -12.444 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.399 -1.433 -11.058 1.00 1.60 H new ATOM 1105 N ALA A 73 10.331 3.511 -7.746 1.00 0.13 N ATOM 1106 CA ALA A 73 10.061 4.875 -7.199 1.00 0.13 C ATOM 1107 C ALA A 73 8.976 4.809 -6.099 1.00 0.11 C ATOM 1108 O ALA A 73 8.148 3.927 -6.092 1.00 0.12 O ATOM 1109 CB ALA A 73 9.604 5.791 -8.356 1.00 0.14 C ATOM 0 H ALA A 73 9.608 2.815 -7.565 1.00 0.13 H new ATOM 0 HA ALA A 73 10.969 5.278 -6.750 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.403 6.791 -7.971 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.389 5.844 -9.110 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.697 5.386 -8.804 1.00 0.14 H new ATOM 1115 N THR A 74 8.971 5.764 -5.191 1.00 0.11 N ATOM 1116 CA THR A 74 7.931 5.798 -4.102 1.00 0.11 C ATOM 1117 C THR A 74 7.344 7.216 -4.065 1.00 0.12 C ATOM 1118 O THR A 74 8.016 8.145 -4.444 1.00 0.15 O ATOM 1119 CB THR A 74 8.597 5.495 -2.745 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.424 6.583 -2.369 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.432 4.227 -2.844 1.00 0.14 C ATOM 0 H THR A 74 9.647 6.527 -5.157 1.00 0.11 H new ATOM 0 HA THR A 74 7.154 5.058 -4.292 1.00 0.11 H new ATOM 0 HB THR A 74 7.822 5.350 -1.992 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.846 6.390 -1.506 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.898 4.022 -1.880 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.791 3.390 -3.123 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.206 4.359 -3.600 1.00 0.14 H new ATOM 1129 N PRO A 75 6.140 7.421 -3.580 1.00 0.13 N ATOM 1130 CA PRO A 75 5.234 6.340 -3.083 1.00 0.10 C ATOM 1131 C PRO A 75 4.640 5.497 -4.216 1.00 0.09 C ATOM 1132 O PRO A 75 4.288 6.006 -5.263 1.00 0.10 O ATOM 1133 CB PRO A 75 4.145 7.151 -2.354 1.00 0.12 C ATOM 1134 CG PRO A 75 4.202 8.588 -2.893 1.00 0.15 C ATOM 1135 CD PRO A 75 5.594 8.803 -3.506 1.00 0.16 C ATOM 0 HA PRO A 75 5.745 5.609 -2.457 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.161 6.715 -2.528 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.314 7.138 -1.277 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.426 8.746 -3.642 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.023 9.304 -2.091 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.535 9.268 -4.490 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.214 9.450 -2.885 1.00 0.16 H new ATOM 1143 N THR A 76 4.496 4.212 -3.994 1.00 0.09 N ATOM 1144 CA THR A 76 3.892 3.321 -5.032 1.00 0.09 C ATOM 1145 C THR A 76 2.798 2.488 -4.377 1.00 0.10 C ATOM 1146 O THR A 76 2.994 1.889 -3.341 1.00 0.12 O ATOM 1147 CB THR A 76 4.948 2.388 -5.628 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.979 3.166 -6.210 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.296 1.527 -6.707 1.00 0.13 C ATOM 0 H THR A 76 4.773 3.741 -3.133 1.00 0.09 H new ATOM 0 HA THR A 76 3.481 3.934 -5.835 1.00 0.09 H new ATOM 0 HB THR A 76 5.365 1.751 -4.848 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.813 3.026 -5.715 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.041 0.858 -7.138 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.492 0.938 -6.266 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.889 2.169 -7.488 1.00 0.13 H new ATOM 1157 N PHE A 77 1.640 2.461 -4.966 1.00 0.10 N ATOM 1158 CA PHE A 77 0.510 1.683 -4.379 1.00 0.10 C ATOM 1159 C PHE A 77 0.263 0.425 -5.210 1.00 0.10 C ATOM 1160 O PHE A 77 0.128 0.489 -6.414 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.731 2.566 -4.416 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.442 3.823 -3.631 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.635 3.854 -2.241 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.036 4.961 -4.299 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.353 5.024 -1.524 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.319 6.131 -3.580 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.125 6.164 -2.192 1.00 0.19 C ATOM 0 H PHE A 77 1.422 2.947 -5.836 1.00 0.10 H new ATOM 0 HA PHE A 77 0.743 1.388 -3.356 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.991 2.813 -5.445 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.585 2.039 -3.989 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.000 2.978 -1.726 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.186 4.935 -5.368 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.503 5.050 -0.455 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.686 7.006 -4.095 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.343 7.064 -1.637 1.00 0.19 H new ATOM 1177 N GLN A 78 0.174 -0.724 -4.575 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.091 -1.992 -5.330 1.00 0.09 C ATOM 1179 C GLN A 78 -1.358 -2.641 -4.792 1.00 0.08 C ATOM 1180 O GLN A 78 -1.612 -2.660 -3.604 1.00 0.09 O ATOM 1181 CB GLN A 78 1.082 -2.968 -5.171 1.00 0.09 C ATOM 1182 CG GLN A 78 2.303 -2.455 -5.948 1.00 0.12 C ATOM 1183 CD GLN A 78 3.397 -3.531 -5.960 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.105 -4.708 -5.903 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.655 -3.180 -6.037 1.00 0.29 N ATOM 0 H GLN A 78 0.274 -0.837 -3.566 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.211 -1.753 -6.387 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.333 -3.079 -4.116 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.797 -3.955 -5.536 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.017 -2.202 -6.969 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.682 -1.542 -5.488 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.907 -2.193 -6.085 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.384 -3.894 -6.049 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.154 -3.169 -5.674 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.429 -3.824 -5.260 1.00 0.07 C ATOM 1196 C PHE A 79 -3.306 -5.335 -5.359 1.00 0.07 C ATOM 1197 O PHE A 79 -2.779 -5.867 -6.314 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.536 -3.346 -6.186 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.716 -1.879 -5.955 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.839 -0.979 -6.557 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.731 -1.420 -5.119 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.980 0.388 -6.329 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.875 -0.052 -4.884 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.999 0.855 -5.489 1.00 0.12 C ATOM 0 H PHE A 79 -1.976 -3.176 -6.678 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.654 -3.562 -4.226 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.276 -3.541 -7.226 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.463 -3.882 -5.983 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.050 -1.341 -7.200 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.406 -2.122 -4.653 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.304 1.087 -6.799 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.662 0.306 -4.236 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.108 1.914 -5.309 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.819 -6.025 -4.377 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.779 -7.513 -4.372 1.00 0.08 C ATOM 1216 C PHE A 80 -5.179 -8.043 -4.061 1.00 0.09 C ATOM 1217 O PHE A 80 -5.947 -7.408 -3.369 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.791 -7.988 -3.311 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.371 -7.718 -3.758 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.754 -6.483 -3.487 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.651 -8.726 -4.417 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.572 -6.266 -3.879 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.676 -8.505 -4.800 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.287 -7.277 -4.531 1.00 0.15 C ATOM 0 H PHE A 80 -4.273 -5.611 -3.563 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.458 -7.884 -5.345 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.986 -7.477 -2.368 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.926 -9.054 -3.130 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.302 -5.704 -2.978 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.122 -9.674 -4.629 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.045 -5.316 -3.678 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.229 -9.284 -5.304 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.312 -7.108 -4.827 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.521 -9.200 -4.561 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.877 -9.759 -4.287 1.00 0.12 C ATOM 1236 C LYS A 81 -6.745 -11.284 -4.228 1.00 0.11 C ATOM 1237 O LYS A 81 -6.168 -11.895 -5.105 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.815 -9.354 -5.436 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.279 -9.635 -5.059 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.823 -8.545 -4.115 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.358 -8.591 -4.105 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.885 -8.117 -5.416 1.00 1.68 N ATOM 0 H LYS A 81 -4.921 -9.782 -5.146 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.282 -9.383 -3.348 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.688 -8.295 -5.661 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.553 -9.906 -6.339 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.889 -9.678 -5.961 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.354 -10.610 -4.577 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.438 -8.698 -3.107 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.481 -7.563 -4.442 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.699 -9.608 -3.911 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.745 -7.966 -3.300 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.849 -7.748 -5.290 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.271 -7.363 -5.785 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.903 -8.909 -6.090 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.250 -11.908 -3.199 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.115 -13.390 -3.095 1.00 0.13 C ATOM 1258 C LYS A 82 -5.643 -13.771 -3.272 1.00 0.13 C ATOM 1259 O LYS A 82 -5.315 -14.829 -3.774 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.966 -14.095 -4.160 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.457 -13.823 -3.899 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.321 -14.811 -4.690 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.779 -14.334 -4.679 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.606 -15.234 -5.535 1.00 1.22 N ATOM 0 H LYS A 82 -7.748 -11.460 -2.430 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.468 -13.708 -2.114 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.690 -13.739 -5.153 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.774 -15.168 -4.141 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.670 -13.914 -2.834 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.704 -12.801 -4.187 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.959 -14.887 -5.715 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.249 -15.806 -4.252 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.164 -14.331 -3.659 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.840 -13.309 -5.046 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.594 -14.910 -5.527 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.244 -15.215 -6.510 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.557 -16.205 -5.166 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.751 -12.925 -2.843 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.307 -13.242 -2.962 1.00 0.16 C ATOM 1280 C GLY A 83 -2.838 -13.060 -4.403 1.00 0.16 C ATOM 1281 O GLY A 83 -1.833 -13.615 -4.802 1.00 0.23 O ATOM 0 H GLY A 83 -4.963 -12.024 -2.414 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.731 -12.595 -2.301 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.126 -14.268 -2.641 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.548 -12.284 -5.191 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.134 -12.064 -6.618 1.00 0.15 C ATOM 1287 C GLN A 84 -3.061 -10.565 -6.924 1.00 0.12 C ATOM 1288 O GLN A 84 -3.877 -9.801 -6.474 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.158 -12.708 -7.552 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.069 -14.228 -7.433 1.00 0.33 C ATOM 1291 CD GLN A 84 -5.022 -14.879 -8.439 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.684 -15.865 -9.063 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.212 -14.368 -8.624 1.00 2.07 N ATOM 0 H GLN A 84 -4.396 -11.793 -4.908 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.152 -12.513 -6.770 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.162 -12.371 -7.296 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.971 -12.401 -8.581 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.047 -14.558 -7.619 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.325 -14.539 -6.420 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.498 -13.540 -8.101 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.853 -14.797 -9.291 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.099 -10.152 -7.712 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.966 -8.699 -8.066 1.00 0.12 C ATOM 1304 C LYS A 85 -3.014 -8.333 -9.118 1.00 0.14 C ATOM 1305 O LYS A 85 -3.120 -8.969 -10.149 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.566 -8.470 -8.647 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.348 -6.989 -8.955 1.00 0.20 C ATOM 1308 CD LYS A 85 1.001 -6.840 -9.657 1.00 0.28 C ATOM 1309 CE LYS A 85 1.318 -5.363 -9.890 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.409 -4.821 -10.939 1.00 1.82 N ATOM 0 H LYS A 85 -1.395 -10.761 -8.129 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.115 -8.082 -7.180 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.188 -8.815 -7.940 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.443 -9.058 -9.556 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.150 -6.611 -9.589 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.365 -6.403 -8.036 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.785 -7.296 -9.053 1.00 0.28 H new ATOM 0 HD3 LYS A 85 0.983 -7.370 -10.609 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.196 -4.803 -8.963 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.357 -5.247 -10.198 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 0.960 -4.263 -11.622 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 -0.059 -5.607 -11.433 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 -0.309 -4.214 -10.496 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.791 -7.299 -8.862 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.842 -6.865 -9.840 1.00 0.18 C ATOM 1326 C VAL A 86 -4.605 -5.407 -10.272 1.00 0.17 C ATOM 1327 O VAL A 86 -5.371 -4.861 -11.034 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.233 -6.971 -9.189 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.616 -8.440 -8.969 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.221 -6.258 -7.838 1.00 0.26 C ATOM 0 H VAL A 86 -3.739 -6.737 -8.013 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.788 -7.514 -10.714 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.961 -6.507 -9.854 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.602 -8.494 -8.508 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.635 -8.959 -9.928 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.884 -8.913 -8.315 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.206 -6.334 -7.378 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.480 -6.723 -7.188 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.968 -5.208 -7.983 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.563 -4.754 -9.798 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.348 -3.333 -10.226 1.00 0.17 C ATOM 1342 C GLY A 87 -2.089 -2.732 -9.579 1.00 0.12 C ATOM 1343 O GLY A 87 -1.562 -3.248 -8.615 1.00 0.17 O ATOM 0 H GLY A 87 -2.871 -5.133 -9.151 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.257 -3.289 -11.311 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.218 -2.735 -9.955 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.612 -1.631 -10.116 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.391 -0.965 -9.554 1.00 0.13 C ATOM 1349 C GLU A 88 -0.265 0.440 -10.150 1.00 0.11 C ATOM 1350 O GLU A 88 -0.641 0.681 -11.278 1.00 0.14 O ATOM 1351 CB GLU A 88 0.851 -1.836 -9.898 1.00 0.21 C ATOM 1352 CG GLU A 88 2.123 -1.002 -10.155 1.00 0.58 C ATOM 1353 CD GLU A 88 2.451 -0.135 -8.942 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.687 -0.158 -7.996 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.466 0.533 -8.984 1.00 1.87 O ATOM 0 H GLU A 88 -2.020 -1.163 -10.925 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.464 -0.870 -8.471 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.038 -2.530 -9.079 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.633 -2.436 -10.781 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.961 -1.664 -10.373 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.980 -0.371 -11.032 1.00 0.58 H new ATOM 1362 N PHE A 89 0.304 1.362 -9.416 1.00 0.10 N ATOM 1363 CA PHE A 89 0.505 2.731 -9.972 1.00 0.09 C ATOM 1364 C PHE A 89 1.425 3.535 -9.050 1.00 0.10 C ATOM 1365 O PHE A 89 1.582 3.224 -7.888 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.843 3.432 -10.175 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.406 3.994 -8.885 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.918 5.202 -8.367 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.457 3.330 -8.237 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.485 5.748 -7.206 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.015 3.870 -7.068 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.533 5.082 -6.557 1.00 0.14 C ATOM 0 H PHE A 89 0.636 1.226 -8.461 1.00 0.10 H new ATOM 0 HA PHE A 89 0.984 2.656 -10.948 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.724 4.239 -10.898 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.555 2.726 -10.601 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.105 5.712 -8.862 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.838 2.402 -8.638 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.113 6.682 -6.812 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.816 3.351 -6.562 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.969 5.503 -5.663 1.00 0.14 H new ATOM 1382 N SER A 90 2.057 4.555 -9.580 1.00 0.10 N ATOM 1383 CA SER A 90 2.994 5.385 -8.769 1.00 0.10 C ATOM 1384 C SER A 90 2.608 6.850 -8.879 1.00 0.09 C ATOM 1385 O SER A 90 1.864 7.244 -9.754 1.00 0.11 O ATOM 1386 CB SER A 90 4.412 5.226 -9.305 1.00 0.11 C ATOM 1387 OG SER A 90 4.444 5.654 -10.662 1.00 0.12 O ATOM 0 H SER A 90 1.960 4.848 -10.552 1.00 0.10 H new ATOM 0 HA SER A 90 2.943 5.059 -7.730 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.109 5.814 -8.708 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.728 4.186 -9.231 1.00 0.11 H new ATOM 0 HG SER A 90 5.353 5.557 -11.014 1.00 0.12 H new ATOM 1393 N GLY A 91 3.125 7.662 -7.995 1.00 0.09 N ATOM 1394 CA GLY A 91 2.821 9.122 -8.029 1.00 0.09 C ATOM 1395 C GLY A 91 2.073 9.526 -6.759 1.00 0.10 C ATOM 1396 O GLY A 91 1.283 8.779 -6.226 1.00 0.12 O ATOM 0 H GLY A 91 3.751 7.373 -7.244 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.745 9.693 -8.115 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.219 9.357 -8.907 1.00 0.09 H new ATOM 1400 N ALA A 92 2.322 10.711 -6.278 1.00 0.11 N ATOM 1401 CA ALA A 92 1.629 11.176 -5.048 1.00 0.14 C ATOM 1402 C ALA A 92 0.207 11.633 -5.402 1.00 0.13 C ATOM 1403 O ALA A 92 -0.116 12.806 -5.321 1.00 0.17 O ATOM 1404 CB ALA A 92 2.425 12.342 -4.463 1.00 0.18 C ATOM 0 H ALA A 92 2.977 11.378 -6.685 1.00 0.11 H new ATOM 0 HA ALA A 92 1.563 10.368 -4.319 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.934 12.700 -3.558 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.434 12.008 -4.221 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.475 13.150 -5.192 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.641 10.705 -5.786 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.059 11.047 -6.146 1.00 0.14 C ATOM 1412 C ASN A 93 -2.996 10.292 -5.190 1.00 0.13 C ATOM 1413 O ASN A 93 -3.368 9.163 -5.437 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.316 10.608 -7.598 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.648 11.177 -8.099 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.066 10.888 -9.203 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.349 11.961 -7.324 1.00 0.75 N ATOM 0 H ASN A 93 -0.409 9.715 -5.866 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.237 12.119 -6.058 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.503 10.951 -8.238 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.332 9.520 -7.658 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.244 12.329 -7.646 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.001 12.205 -6.397 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.360 10.912 -4.092 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.252 10.244 -3.087 1.00 0.15 C ATOM 1426 C LYS A 94 -5.664 10.020 -3.647 1.00 0.15 C ATOM 1427 O LYS A 94 -6.323 9.062 -3.298 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.335 11.129 -1.831 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.679 12.596 -2.210 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.431 13.491 -2.120 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.148 13.878 -0.666 1.00 0.59 C ATOM 1432 NZ LYS A 94 -4.181 14.844 -0.206 1.00 1.06 N ATOM 0 H LYS A 94 -3.075 11.860 -3.846 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.829 9.269 -2.844 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.094 10.736 -1.154 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.385 11.100 -1.297 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.084 12.630 -3.221 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.453 12.976 -1.544 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -2.571 12.967 -2.536 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.578 14.390 -2.719 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -3.156 12.991 -0.033 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -2.156 14.321 -0.582 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.736 15.766 -0.021 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -4.908 14.952 -0.942 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -4.622 14.491 0.667 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.131 10.870 -4.518 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.492 10.667 -5.082 1.00 0.15 C ATOM 1448 C GLU A 95 -7.491 9.411 -5.955 1.00 0.15 C ATOM 1449 O GLU A 95 -8.489 8.732 -6.096 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.888 11.879 -5.935 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.905 13.156 -5.072 1.00 0.19 C ATOM 1452 CD GLU A 95 -6.508 13.791 -5.020 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -5.594 13.235 -5.609 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -6.378 14.832 -4.393 1.00 1.55 O ATOM 0 H GLU A 95 -5.632 11.691 -4.861 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.208 10.552 -4.268 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.185 11.998 -6.759 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.871 11.717 -6.376 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -8.620 13.869 -5.482 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.239 12.915 -4.063 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.376 9.105 -6.552 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.299 7.908 -7.428 1.00 0.15 C ATOM 1463 C LYS A 96 -6.625 6.671 -6.598 1.00 0.14 C ATOM 1464 O LYS A 96 -7.232 5.735 -7.071 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.879 7.801 -7.967 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.806 6.776 -9.106 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.542 7.037 -9.927 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.468 6.045 -11.087 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.294 6.381 -11.940 1.00 1.45 N ATOM 0 H LYS A 96 -5.509 9.637 -6.470 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.005 7.988 -8.254 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.547 8.775 -8.326 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.201 7.509 -7.165 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.791 5.764 -8.702 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.690 6.853 -9.740 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.549 8.058 -10.309 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.659 6.939 -9.295 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.378 5.027 -10.707 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.385 6.085 -11.676 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.237 5.710 -12.732 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.400 7.347 -12.311 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.424 6.322 -11.373 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.224 6.666 -5.359 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.508 5.496 -4.492 1.00 0.13 C ATOM 1485 C LEU A 97 -8.016 5.297 -4.410 1.00 0.14 C ATOM 1486 O LEU A 97 -8.516 4.194 -4.391 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.993 5.776 -3.074 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.476 5.619 -3.006 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.006 6.101 -1.631 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.081 4.136 -3.206 1.00 0.19 C ATOM 0 H LEU A 97 -5.711 7.425 -4.910 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.021 4.613 -4.906 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.272 6.786 -2.774 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.466 5.092 -2.369 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.006 6.207 -3.794 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.923 5.998 -1.560 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.280 7.148 -1.499 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.479 5.501 -0.854 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.997 4.038 -3.155 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.537 3.529 -2.424 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.431 3.794 -4.180 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.733 6.372 -4.337 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.219 6.272 -4.211 1.00 0.15 C ATOM 1504 C GLU A 98 -10.830 5.599 -5.440 1.00 0.16 C ATOM 1505 O GLU A 98 -11.720 4.780 -5.331 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.809 7.681 -4.066 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.327 7.608 -3.838 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.878 9.033 -3.699 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.077 9.941 -3.552 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.088 9.191 -3.742 1.00 2.00 O ATOM 0 H GLU A 98 -8.362 7.322 -4.358 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.451 5.669 -3.333 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.334 8.196 -3.231 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.598 8.264 -4.962 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.809 7.097 -4.671 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.546 7.030 -2.940 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.386 5.957 -6.608 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.981 5.355 -7.838 1.00 0.17 C ATOM 1519 C ALA A 99 -10.608 3.882 -7.993 1.00 0.16 C ATOM 1520 O ALA A 99 -11.432 3.065 -8.357 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.492 6.122 -9.064 1.00 0.19 C ATOM 0 H ALA A 99 -9.642 6.636 -6.769 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.065 5.421 -7.747 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.925 5.684 -9.964 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.796 7.166 -8.985 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.405 6.064 -9.120 1.00 0.19 H new ATOM 1527 N THR A 100 -9.380 3.535 -7.768 1.00 0.16 N ATOM 1528 CA THR A 100 -8.978 2.119 -7.960 1.00 0.16 C ATOM 1529 C THR A 100 -9.741 1.218 -6.976 1.00 0.15 C ATOM 1530 O THR A 100 -10.175 0.136 -7.323 1.00 0.15 O ATOM 1531 CB THR A 100 -7.472 1.985 -7.747 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.804 2.971 -8.524 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.027 0.596 -8.207 1.00 0.20 C ATOM 0 H THR A 100 -8.639 4.165 -7.461 1.00 0.16 H new ATOM 0 HA THR A 100 -9.223 1.806 -8.975 1.00 0.16 H new ATOM 0 HB THR A 100 -7.231 2.121 -6.693 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.792 3.820 -8.035 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.952 0.491 -8.059 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.550 -0.164 -7.627 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.262 0.470 -9.264 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.926 1.658 -5.761 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.681 0.829 -4.766 1.00 0.13 C ATOM 1543 C ILE A 101 -12.109 0.652 -5.272 1.00 0.14 C ATOM 1544 O ILE A 101 -12.628 -0.443 -5.331 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.692 1.560 -3.418 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.280 1.525 -2.803 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.692 0.894 -2.458 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.136 2.650 -1.777 1.00 0.16 C ATOM 0 H ILE A 101 -9.589 2.555 -5.410 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.211 -0.147 -4.642 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.995 2.595 -3.578 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.104 0.561 -2.326 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.529 1.635 -3.586 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.689 1.423 -1.505 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.692 0.931 -2.891 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.405 -0.145 -2.297 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.136 2.622 -1.344 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.293 3.611 -2.267 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.877 2.520 -0.988 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.735 1.730 -5.657 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.126 1.650 -6.187 1.00 0.20 C ATOM 1562 C ASN A 102 -14.106 0.751 -7.416 1.00 0.19 C ATOM 1563 O ASN A 102 -15.023 0.002 -7.678 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.598 3.056 -6.596 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.035 3.010 -7.123 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.286 2.514 -8.204 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.993 3.530 -6.406 1.00 0.55 N ATOM 0 H ASN A 102 -12.340 2.670 -5.627 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.801 1.252 -5.430 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.540 3.728 -5.740 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.936 3.459 -7.363 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.952 3.520 -6.753 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.783 3.946 -5.499 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.060 0.837 -8.177 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.947 0.011 -9.404 1.00 0.18 C ATOM 1576 C GLU A 103 -12.817 -1.471 -9.021 1.00 0.16 C ATOM 1577 O GLU A 103 -13.369 -2.333 -9.673 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.691 0.461 -10.158 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.663 -0.144 -11.566 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.731 0.521 -12.438 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -12.589 1.699 -12.722 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -13.671 -0.161 -12.813 1.00 2.04 O ATOM 0 H GLU A 103 -12.266 1.453 -8.000 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.832 0.133 -10.029 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.669 1.549 -10.223 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.801 0.157 -9.607 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.678 -0.005 -12.012 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.840 -1.218 -11.514 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.077 -1.783 -7.982 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.901 -3.221 -7.586 1.00 0.14 C ATOM 1591 C LEU A 104 -12.806 -3.599 -6.401 1.00 0.13 C ATOM 1592 O LEU A 104 -12.778 -4.722 -5.938 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.444 -3.459 -7.196 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.517 -3.131 -8.369 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.063 -3.315 -7.915 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.819 -4.053 -9.566 1.00 0.25 C ATOM 0 H LEU A 104 -11.589 -1.109 -7.393 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.179 -3.842 -8.438 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.185 -2.841 -6.336 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.306 -4.498 -6.895 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.678 -2.100 -8.684 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.392 -3.084 -8.742 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.855 -2.645 -7.081 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.908 -4.347 -7.599 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.152 -3.807 -10.392 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.666 -5.092 -9.273 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.853 -3.913 -9.881 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.600 -2.698 -5.890 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.476 -3.071 -4.735 1.00 0.15 C ATOM 1610 C VAL A 105 -15.546 -4.065 -5.207 1.00 0.16 C ATOM 1611 O VAL A 105 -15.864 -4.966 -4.448 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.149 -1.820 -4.150 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.263 -1.321 -5.079 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.736 -2.161 -2.777 1.00 0.19 C ATOM 1615 OXT VAL A 105 -16.030 -3.908 -6.316 1.00 1.08 O ATOM 0 H VAL A 105 -13.683 -1.734 -6.213 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.865 -3.533 -3.959 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.404 -1.030 -4.050 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.727 -0.434 -4.647 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.841 -1.072 -6.052 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -17.014 -2.102 -5.199 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.215 -1.277 -2.356 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.473 -2.957 -2.884 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.938 -2.492 -2.112 1.00 0.19 H new ATOM 1683 N LYS B 63 6.925 14.884 -6.084 1.00 0.19 N ATOM 1684 CA LYS B 63 5.816 13.888 -6.126 1.00 0.14 C ATOM 1685 C LYS B 63 6.367 12.471 -5.951 1.00 0.12 C ATOM 1686 O LYS B 63 5.648 11.569 -5.565 1.00 0.12 O ATOM 1687 CB LYS B 63 5.108 13.981 -7.479 1.00 0.17 C ATOM 1688 CG LYS B 63 4.524 15.387 -7.668 1.00 0.20 C ATOM 1689 CD LYS B 63 3.310 15.598 -6.744 1.00 0.40 C ATOM 1690 CE LYS B 63 2.546 16.850 -7.187 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.346 17.055 -6.315 1.00 1.31 N ATOM 0 HA LYS B 63 5.117 14.103 -5.317 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.810 13.759 -8.283 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.313 13.237 -7.535 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.287 16.135 -7.452 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.226 15.526 -8.707 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.656 14.727 -6.780 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.640 15.706 -5.711 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.198 17.722 -7.133 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.236 16.748 -8.227 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.834 17.906 -6.623 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.719 16.229 -6.388 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.650 17.173 -5.328 1.00 1.31 H new ATOM 1705 N ILE B 64 7.625 12.270 -6.268 1.00 0.11 N ATOM 1706 CA ILE B 64 8.254 10.910 -6.149 1.00 0.11 C ATOM 1707 C ILE B 64 9.581 11.018 -5.386 1.00 0.10 C ATOM 1708 O ILE B 64 10.333 11.951 -5.581 1.00 0.11 O ATOM 1709 CB ILE B 64 8.548 10.374 -7.562 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.239 10.100 -8.317 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.367 9.083 -7.488 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.365 9.091 -7.550 1.00 0.15 C ATOM 0 H ILE B 64 8.252 12.999 -6.609 1.00 0.11 H new ATOM 0 HA ILE B 64 7.576 10.243 -5.617 1.00 0.11 H new ATOM 0 HB ILE B 64 9.120 11.132 -8.096 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.691 11.032 -8.454 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.462 9.713 -9.311 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.565 8.719 -8.496 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.312 9.280 -6.981 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.808 8.329 -6.933 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.443 8.913 -8.104 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.907 8.152 -7.436 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.125 9.492 -6.566 1.00 0.15 H new ATOM 1724 N CYS B 65 9.900 10.051 -4.556 1.00 0.09 N ATOM 1725 CA CYS B 65 11.208 10.080 -3.838 1.00 0.10 C ATOM 1726 C CYS B 65 12.163 9.185 -4.631 1.00 0.10 C ATOM 1727 O CYS B 65 11.826 8.071 -4.982 1.00 0.11 O ATOM 1728 CB CYS B 65 11.069 9.534 -2.408 1.00 0.10 C ATOM 1729 SG CYS B 65 9.766 10.425 -1.518 1.00 0.19 S ATOM 0 H CYS B 65 9.309 9.246 -4.348 1.00 0.09 H new ATOM 0 HA CYS B 65 11.574 11.104 -3.764 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.835 8.470 -2.439 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.016 9.637 -1.879 1.00 0.10 H new ATOM 1734 N SER B 66 13.331 9.664 -4.955 1.00 0.12 N ATOM 1735 CA SER B 66 14.270 8.834 -5.771 1.00 0.14 C ATOM 1736 C SER B 66 14.990 7.798 -4.907 1.00 0.14 C ATOM 1737 O SER B 66 15.419 8.075 -3.802 1.00 0.15 O ATOM 1738 CB SER B 66 15.313 9.737 -6.423 1.00 0.18 C ATOM 1739 OG SER B 66 14.666 10.638 -7.306 1.00 0.20 O ATOM 0 H SER B 66 13.678 10.587 -4.694 1.00 0.12 H new ATOM 0 HA SER B 66 13.686 8.313 -6.529 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.861 10.289 -5.660 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.042 9.136 -6.967 1.00 0.18 H new ATOM 0 HG SER B 66 15.333 11.221 -7.725 1.00 0.20 H new ATOM 1745 N TRP B 67 15.151 6.615 -5.426 1.00 0.15 N ATOM 1746 CA TRP B 67 15.863 5.551 -4.664 1.00 0.16 C ATOM 1747 C TRP B 67 17.361 5.845 -4.668 1.00 0.19 C ATOM 1748 O TRP B 67 18.119 5.256 -3.925 1.00 0.21 O ATOM 1749 CB TRP B 67 15.598 4.178 -5.301 1.00 0.16 C ATOM 1750 CG TRP B 67 14.173 3.800 -5.055 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.113 4.515 -5.469 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.636 2.653 -4.329 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.959 3.887 -5.052 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.231 2.740 -4.337 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.220 1.557 -3.671 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.436 1.784 -3.708 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.421 0.590 -3.043 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.033 0.709 -3.058 1.00 0.16 C ATOM 0 H TRP B 67 14.819 6.337 -6.349 1.00 0.15 H new ATOM 0 HA TRP B 67 15.497 5.536 -3.637 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.800 4.213 -6.372 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.266 3.429 -4.875 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.158 5.433 -6.036 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.018 4.229 -5.248 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.295 1.458 -3.649 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.360 1.877 -3.725 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.884 -0.250 -2.546 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.421 -0.032 -2.566 1.00 0.16 H new ATOM 1769 N ASN B 68 17.789 6.773 -5.480 1.00 0.23 N ATOM 1770 CA ASN B 68 19.237 7.115 -5.523 1.00 0.27 C ATOM 1771 C ASN B 68 19.740 7.333 -4.097 1.00 0.26 C ATOM 1772 O ASN B 68 20.930 7.369 -3.848 1.00 0.30 O ATOM 1773 CB ASN B 68 19.420 8.405 -6.325 1.00 0.34 C ATOM 1774 CG ASN B 68 19.147 8.119 -7.800 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.386 8.952 -8.651 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.651 6.963 -8.134 1.00 0.40 N ATOM 0 H ASN B 68 17.197 7.309 -6.115 1.00 0.23 H new ATOM 0 HA ASN B 68 19.798 6.306 -5.992 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.741 9.175 -5.959 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.433 8.787 -6.197 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.461 6.753 -9.114 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.452 6.267 -7.416 1.00 0.40 H new