USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 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+ 153:sc= -0.173 (180deg=-0.909) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.213) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 138:sc= -0.816 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0.477 (180deg=0.076) USER MOD Single : A 43 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.012) USER MOD Single : A 44 SER OG : rot 100:sc= 0.912 USER MOD Single : A 46 SER OG : rot 92:sc= 0.452 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 67 SER OG : rot -41:sc= 0.23 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.079 (180deg=-0.516) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.433 USER MOD Single : A 78 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -0.209 (180deg=-0.977) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.25! C(o=-1.3!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.0305 (180deg=-0.344) USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.187 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.034 F(o=-1.7!,f=-0.034) USER MOD Single : B 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.121) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.147 F(o=-2.6!,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.328 -2.178 8.690 1.00 0.20 N ATOM 37 CA LYS A 3 -1.425 -3.277 9.155 1.00 0.18 C ATOM 38 C LYS A 3 -0.011 -2.963 8.657 1.00 0.15 C ATOM 39 O LYS A 3 0.197 -2.698 7.490 1.00 0.16 O ATOM 40 CB LYS A 3 -1.900 -4.605 8.538 1.00 0.19 C ATOM 41 CG LYS A 3 -1.103 -5.791 9.117 1.00 0.20 C ATOM 42 CD LYS A 3 -1.751 -6.285 10.416 1.00 0.81 C ATOM 43 CE LYS A 3 -0.815 -7.280 11.105 1.00 1.03 C ATOM 44 NZ LYS A 3 0.433 -6.579 11.514 1.00 1.67 N ATOM 0 HA LYS A 3 -1.437 -3.357 10.242 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.963 -4.744 8.735 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.778 -4.573 7.455 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.066 -6.602 8.390 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.074 -5.487 9.309 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.954 -5.443 11.077 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.708 -6.759 10.200 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.305 -7.714 11.977 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.579 -8.103 10.430 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.850 -7.063 12.335 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.111 -6.589 10.726 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.211 -5.595 11.768 1.00 1.67 H new ATOM 58 N GLN A 4 0.965 -2.985 9.532 1.00 0.15 N ATOM 59 CA GLN A 4 2.366 -2.678 9.103 1.00 0.14 C ATOM 60 C GLN A 4 3.098 -3.992 8.826 1.00 0.12 C ATOM 61 O GLN A 4 3.221 -4.841 9.688 1.00 0.13 O ATOM 62 CB GLN A 4 3.083 -1.905 10.225 1.00 0.16 C ATOM 63 CG GLN A 4 4.519 -1.563 9.799 1.00 0.17 C ATOM 64 CD GLN A 4 5.237 -0.833 10.938 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.972 -1.082 12.098 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.144 0.066 10.654 1.00 0.31 N ATOM 0 H GLN A 4 0.853 -3.202 10.522 1.00 0.15 H new ATOM 0 HA GLN A 4 2.357 -2.069 8.199 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.536 -0.990 10.454 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.099 -2.503 11.136 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.059 -2.474 9.541 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.504 -0.938 8.906 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.367 0.276 9.681 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.628 0.557 11.406 1.00 0.31 H new ATOM 75 N ILE A 5 3.598 -4.160 7.629 1.00 0.10 N ATOM 76 CA ILE A 5 4.338 -5.405 7.280 1.00 0.10 C ATOM 77 C ILE A 5 5.832 -5.084 7.309 1.00 0.10 C ATOM 78 O ILE A 5 6.299 -4.251 6.559 1.00 0.11 O ATOM 79 CB ILE A 5 3.942 -5.826 5.868 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.414 -5.840 5.740 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.483 -7.220 5.582 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.791 -6.669 6.870 1.00 0.19 C ATOM 0 H ILE A 5 3.523 -3.480 6.873 1.00 0.10 H new ATOM 0 HA ILE A 5 4.107 -6.207 7.981 1.00 0.10 H new ATOM 0 HB ILE A 5 4.359 -5.117 5.153 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.030 -4.820 5.774 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.127 -6.256 4.774 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.200 -7.520 4.573 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.570 -7.213 5.667 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.067 -7.926 6.301 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.706 -6.669 6.765 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.161 -7.693 6.817 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.063 -6.235 7.832 1.00 0.19 H new ATOM 94 N GLU A 6 6.589 -5.710 8.174 1.00 0.11 N ATOM 95 CA GLU A 6 8.048 -5.402 8.246 1.00 0.13 C ATOM 96 C GLU A 6 8.846 -6.464 7.482 1.00 0.12 C ATOM 97 O GLU A 6 10.055 -6.392 7.395 1.00 0.13 O ATOM 98 CB GLU A 6 8.477 -5.401 9.713 1.00 0.15 C ATOM 99 CG GLU A 6 7.678 -4.334 10.473 1.00 0.17 C ATOM 100 CD GLU A 6 6.295 -4.885 10.849 1.00 1.45 C ATOM 101 OE1 GLU A 6 6.024 -6.030 10.528 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.530 -4.150 11.449 1.00 2.25 O ATOM 0 H GLU A 6 6.261 -6.418 8.831 1.00 0.11 H new ATOM 0 HA GLU A 6 8.239 -4.427 7.798 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.307 -6.383 10.155 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.545 -5.197 9.792 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.217 -4.036 11.372 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.568 -3.442 9.857 1.00 0.17 H new ATOM 109 N SER A 7 8.187 -7.445 6.918 1.00 0.12 N ATOM 110 CA SER A 7 8.933 -8.500 6.157 1.00 0.13 C ATOM 111 C SER A 7 8.036 -9.152 5.105 1.00 0.12 C ATOM 112 O SER A 7 6.826 -9.143 5.206 1.00 0.12 O ATOM 113 CB SER A 7 9.424 -9.580 7.122 1.00 0.15 C ATOM 114 OG SER A 7 8.307 -10.163 7.778 1.00 0.15 O ATOM 0 H SER A 7 7.174 -7.563 6.949 1.00 0.12 H new ATOM 0 HA SER A 7 9.778 -8.025 5.659 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.981 -10.343 6.579 1.00 0.15 H new ATOM 0 HB3 SER A 7 10.106 -9.148 7.854 1.00 0.15 H new ATOM 0 HG SER A 7 8.617 -10.857 8.397 1.00 0.15 H new ATOM 120 N LYS A 8 8.636 -9.744 4.105 1.00 0.14 N ATOM 121 CA LYS A 8 7.840 -10.429 3.049 1.00 0.15 C ATOM 122 C LYS A 8 7.076 -11.580 3.691 1.00 0.15 C ATOM 123 O LYS A 8 5.984 -11.921 3.285 1.00 0.16 O ATOM 124 CB LYS A 8 8.774 -10.981 1.972 1.00 0.18 C ATOM 125 CG LYS A 8 7.951 -11.453 0.770 1.00 0.21 C ATOM 126 CD LYS A 8 8.808 -12.358 -0.124 1.00 0.43 C ATOM 127 CE LYS A 8 10.107 -11.638 -0.492 1.00 0.80 C ATOM 128 NZ LYS A 8 10.714 -12.290 -1.689 1.00 1.65 N ATOM 0 H LYS A 8 9.647 -9.781 3.976 1.00 0.14 H new ATOM 0 HA LYS A 8 7.148 -9.723 2.591 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.482 -10.212 1.662 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.358 -11.809 2.373 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.069 -11.994 1.112 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.597 -10.594 0.200 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.032 -13.290 0.394 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.257 -12.620 -1.028 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.907 -10.587 -0.699 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.804 -11.671 0.346 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.418 -11.652 -2.112 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.177 -13.177 -1.404 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.971 -12.496 -2.386 1.00 1.65 H new ATOM 142 N THR A 9 7.644 -12.192 4.696 1.00 0.15 N ATOM 143 CA THR A 9 6.941 -13.327 5.345 1.00 0.17 C ATOM 144 C THR A 9 5.582 -12.844 5.843 1.00 0.16 C ATOM 145 O THR A 9 4.562 -13.458 5.596 1.00 0.17 O ATOM 146 CB THR A 9 7.766 -13.843 6.526 1.00 0.19 C ATOM 147 OG1 THR A 9 9.045 -14.259 6.063 1.00 0.22 O ATOM 148 CG2 THR A 9 7.044 -15.026 7.176 1.00 0.23 C ATOM 0 H THR A 9 8.555 -11.956 5.090 1.00 0.15 H new ATOM 0 HA THR A 9 6.808 -14.136 4.626 1.00 0.17 H new ATOM 0 HB THR A 9 7.888 -13.047 7.261 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.575 -14.588 6.819 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.632 -15.393 8.017 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.065 -14.704 7.531 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.921 -15.824 6.444 1.00 0.23 H new ATOM 156 N ALA A 10 5.554 -11.734 6.518 1.00 0.15 N ATOM 157 CA ALA A 10 4.254 -11.199 7.000 1.00 0.15 C ATOM 158 C ALA A 10 3.433 -10.750 5.795 1.00 0.14 C ATOM 159 O ALA A 10 2.222 -10.811 5.802 1.00 0.15 O ATOM 160 CB ALA A 10 4.492 -10.019 7.946 1.00 0.17 C ATOM 0 H ALA A 10 6.372 -11.174 6.757 1.00 0.15 H new ATOM 0 HA ALA A 10 3.714 -11.973 7.545 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.534 -9.633 8.294 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.082 -10.351 8.800 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.030 -9.232 7.418 1.00 0.17 H new ATOM 166 N PHE A 11 4.083 -10.302 4.752 1.00 0.14 N ATOM 167 CA PHE A 11 3.328 -9.852 3.549 1.00 0.13 C ATOM 168 C PHE A 11 2.500 -11.019 3.029 1.00 0.14 C ATOM 169 O PHE A 11 1.341 -10.875 2.692 1.00 0.14 O ATOM 170 CB PHE A 11 4.327 -9.432 2.461 1.00 0.14 C ATOM 171 CG PHE A 11 3.605 -8.757 1.313 1.00 0.14 C ATOM 172 CD1 PHE A 11 3.009 -7.504 1.495 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.538 -9.388 0.060 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.350 -6.884 0.429 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.879 -8.766 -1.004 1.00 0.14 C ATOM 176 CZ PHE A 11 2.285 -7.514 -0.820 1.00 0.14 C ATOM 0 H PHE A 11 5.098 -10.229 4.683 1.00 0.14 H new ATOM 0 HA PHE A 11 2.681 -9.013 3.805 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.069 -8.753 2.882 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.866 -10.306 2.096 1.00 0.14 H new ATOM 0 HD1 PHE A 11 3.058 -7.017 2.458 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.997 -10.356 -0.082 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.890 -5.917 0.569 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.829 -9.252 -1.967 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.776 -7.032 -1.642 1.00 0.14 H new ATOM 186 N GLN A 12 3.087 -12.177 2.976 1.00 0.14 N ATOM 187 CA GLN A 12 2.340 -13.364 2.482 1.00 0.16 C ATOM 188 C GLN A 12 1.212 -13.686 3.467 1.00 0.15 C ATOM 189 O GLN A 12 0.101 -13.995 3.082 1.00 0.16 O ATOM 190 CB GLN A 12 3.299 -14.557 2.422 1.00 0.18 C ATOM 191 CG GLN A 12 4.404 -14.287 1.396 1.00 0.17 C ATOM 192 CD GLN A 12 3.797 -14.171 -0.006 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.960 -13.166 -0.667 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.097 -15.162 -0.488 1.00 1.31 N ATOM 0 H GLN A 12 4.052 -12.355 3.253 1.00 0.14 H new ATOM 0 HA GLN A 12 1.926 -13.163 1.494 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.738 -14.732 3.404 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.753 -15.461 2.152 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.932 -13.368 1.650 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.138 -15.093 1.418 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.960 -16.007 0.067 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.687 -15.092 -1.420 1.00 1.31 H new ATOM 203 N GLU A 13 1.498 -13.606 4.740 1.00 0.16 N ATOM 204 CA GLU A 13 0.460 -13.896 5.775 1.00 0.17 C ATOM 205 C GLU A 13 -0.654 -12.855 5.714 1.00 0.15 C ATOM 206 O GLU A 13 -1.810 -13.153 5.946 1.00 0.16 O ATOM 207 CB GLU A 13 1.108 -13.865 7.163 1.00 0.19 C ATOM 208 CG GLU A 13 2.147 -14.986 7.283 1.00 0.28 C ATOM 209 CD GLU A 13 1.446 -16.346 7.203 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.421 -16.503 7.846 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.947 -17.209 6.500 1.00 1.67 O ATOM 0 H GLU A 13 2.413 -13.350 5.111 1.00 0.16 H new ATOM 0 HA GLU A 13 0.034 -14.881 5.585 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.583 -12.898 7.330 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.345 -13.982 7.932 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.885 -14.898 6.486 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.685 -14.898 8.227 1.00 0.28 H new ATOM 218 N ALA A 14 -0.320 -11.632 5.426 1.00 0.15 N ATOM 219 CA ALA A 14 -1.366 -10.582 5.368 1.00 0.14 C ATOM 220 C ALA A 14 -2.265 -10.833 4.161 1.00 0.13 C ATOM 221 O ALA A 14 -3.470 -10.702 4.235 1.00 0.13 O ATOM 222 CB ALA A 14 -0.709 -9.205 5.259 1.00 0.15 C ATOM 0 H ALA A 14 0.629 -11.315 5.229 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.968 -10.613 6.276 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.480 -8.436 5.217 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.074 -9.035 6.129 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.103 -9.161 4.354 1.00 0.15 H new ATOM 228 N LEU A 15 -1.693 -11.200 3.049 1.00 0.12 N ATOM 229 CA LEU A 15 -2.524 -11.462 1.851 1.00 0.12 C ATOM 230 C LEU A 15 -3.485 -12.607 2.167 1.00 0.13 C ATOM 231 O LEU A 15 -4.639 -12.596 1.785 1.00 0.13 O ATOM 232 CB LEU A 15 -1.617 -11.873 0.689 1.00 0.13 C ATOM 233 CG LEU A 15 -0.784 -10.674 0.217 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.339 -11.173 -0.693 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.657 -9.671 -0.557 1.00 0.17 C ATOM 0 H LEU A 15 -0.689 -11.328 2.922 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.083 -10.567 1.578 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.958 -12.683 1.002 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.220 -12.253 -0.136 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.369 -10.171 1.090 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.936 -10.326 -1.033 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.974 -11.866 -0.141 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.091 -11.683 -1.555 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.044 -8.830 -0.881 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.090 -10.162 -1.429 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.456 -9.310 0.090 1.00 0.17 H new ATOM 247 N ASP A 16 -3.006 -13.596 2.869 1.00 0.13 N ATOM 248 CA ASP A 16 -3.870 -14.757 3.220 1.00 0.15 C ATOM 249 C ASP A 16 -4.942 -14.327 4.228 1.00 0.15 C ATOM 250 O ASP A 16 -6.054 -14.814 4.209 1.00 0.16 O ATOM 251 CB ASP A 16 -3.001 -15.860 3.836 1.00 0.17 C ATOM 252 CG ASP A 16 -3.774 -17.183 3.858 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.904 -17.195 3.397 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.220 -18.162 4.335 1.00 1.07 O ATOM 0 H ASP A 16 -2.048 -13.650 3.216 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.359 -15.129 2.320 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.083 -15.975 3.260 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.710 -15.582 4.849 1.00 0.17 H new ATOM 259 N ALA A 17 -4.608 -13.432 5.120 1.00 0.15 N ATOM 260 CA ALA A 17 -5.600 -12.982 6.145 1.00 0.16 C ATOM 261 C ALA A 17 -6.709 -12.153 5.490 1.00 0.15 C ATOM 262 O ALA A 17 -7.857 -12.218 5.884 1.00 0.17 O ATOM 263 CB ALA A 17 -4.889 -12.133 7.202 1.00 0.18 C ATOM 0 H ALA A 17 -3.690 -12.992 5.184 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.046 -13.860 6.612 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.610 -11.804 7.950 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.112 -12.727 7.684 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.437 -11.263 6.726 1.00 0.18 H new ATOM 269 N ALA A 18 -6.381 -11.373 4.499 1.00 0.14 N ATOM 270 CA ALA A 18 -7.421 -10.538 3.828 1.00 0.15 C ATOM 271 C ALA A 18 -8.472 -11.439 3.180 1.00 0.14 C ATOM 272 O ALA A 18 -9.637 -11.103 3.111 1.00 0.17 O ATOM 273 CB ALA A 18 -6.766 -9.683 2.749 1.00 0.15 C ATOM 0 H ALA A 18 -5.438 -11.276 4.123 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.898 -9.898 4.570 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.524 -9.073 2.258 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.017 -9.035 3.203 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.288 -10.329 2.013 1.00 0.15 H new ATOM 279 N GLY A 19 -8.067 -12.578 2.698 1.00 0.16 N ATOM 280 CA GLY A 19 -9.037 -13.500 2.047 1.00 0.20 C ATOM 281 C GLY A 19 -9.536 -12.889 0.735 1.00 0.16 C ATOM 282 O GLY A 19 -8.756 -12.536 -0.127 1.00 0.17 O ATOM 0 H GLY A 19 -7.104 -12.912 2.726 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.563 -14.462 1.853 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.878 -13.687 2.714 1.00 0.20 H new ATOM 286 N ASP A 20 -10.828 -12.778 0.562 1.00 0.15 N ATOM 287 CA ASP A 20 -11.367 -12.211 -0.712 1.00 0.14 C ATOM 288 C ASP A 20 -11.544 -10.694 -0.585 1.00 0.12 C ATOM 289 O ASP A 20 -12.028 -10.045 -1.490 1.00 0.13 O ATOM 290 CB ASP A 20 -12.717 -12.858 -1.018 1.00 0.15 C ATOM 291 CG ASP A 20 -12.527 -14.370 -1.163 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.577 -14.768 -1.817 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.330 -15.105 -0.612 1.00 1.07 O ATOM 0 H ASP A 20 -11.532 -13.055 1.246 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.665 -12.417 -1.520 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.427 -12.643 -0.219 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.134 -12.442 -1.935 1.00 0.15 H new ATOM 298 N LYS A 21 -11.158 -10.117 0.521 1.00 0.12 N ATOM 299 CA LYS A 21 -11.317 -8.641 0.676 1.00 0.12 C ATOM 300 C LYS A 21 -10.243 -7.932 -0.151 1.00 0.10 C ATOM 301 O LYS A 21 -9.161 -8.446 -0.350 1.00 0.11 O ATOM 302 CB LYS A 21 -11.141 -8.240 2.146 1.00 0.15 C ATOM 303 CG LYS A 21 -12.246 -8.864 3.006 1.00 0.21 C ATOM 304 CD LYS A 21 -12.383 -8.077 4.316 1.00 0.31 C ATOM 305 CE LYS A 21 -13.282 -8.849 5.282 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.642 -7.974 6.434 1.00 1.50 N ATOM 0 H LYS A 21 -10.743 -10.599 1.318 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.313 -8.356 0.337 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.165 -8.566 2.504 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.168 -7.154 2.239 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.192 -8.855 2.464 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.010 -9.907 3.219 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.401 -7.920 4.763 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.805 -7.092 4.118 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.184 -9.182 4.769 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.769 -9.743 5.637 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.254 -8.499 7.091 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.776 -7.678 6.929 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.148 -7.134 6.087 1.00 1.50 H new ATOM 320 N LEU A 22 -10.528 -6.750 -0.629 1.00 0.11 N ATOM 321 CA LEU A 22 -9.519 -6.012 -1.431 1.00 0.12 C ATOM 322 C LEU A 22 -8.297 -5.788 -0.530 1.00 0.12 C ATOM 323 O LEU A 22 -8.398 -5.831 0.680 1.00 0.14 O ATOM 324 CB LEU A 22 -10.135 -4.658 -1.856 1.00 0.15 C ATOM 325 CG LEU A 22 -9.769 -4.277 -3.300 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.330 -2.867 -3.616 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.240 -4.278 -3.489 1.00 0.47 C ATOM 0 H LEU A 22 -11.417 -6.267 -0.497 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.224 -6.562 -2.325 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.220 -4.709 -1.760 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.791 -3.877 -1.178 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.204 -5.010 -3.979 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.072 -2.594 -4.639 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.414 -2.873 -3.504 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.899 -2.141 -2.927 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.000 -4.006 -4.517 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.789 -3.556 -2.808 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.848 -5.272 -3.276 1.00 0.47 H new ATOM 339 N VAL A 23 -7.151 -5.545 -1.096 1.00 0.11 N ATOM 340 CA VAL A 23 -5.945 -5.316 -0.264 1.00 0.11 C ATOM 341 C VAL A 23 -5.060 -4.295 -0.959 1.00 0.11 C ATOM 342 O VAL A 23 -4.609 -4.509 -2.066 1.00 0.17 O ATOM 343 CB VAL A 23 -5.171 -6.622 -0.114 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.890 -6.360 0.678 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.027 -7.653 0.618 1.00 0.12 C ATOM 0 H VAL A 23 -6.999 -5.495 -2.103 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.241 -4.954 0.721 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.918 -7.009 -1.101 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.333 -7.291 0.788 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.277 -5.631 0.148 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.145 -5.971 1.664 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.468 -8.583 0.721 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.287 -7.274 1.606 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.938 -7.839 0.049 1.00 0.12 H new ATOM 355 N VAL A 24 -4.801 -3.189 -0.315 1.00 0.09 N ATOM 356 CA VAL A 24 -3.931 -2.145 -0.931 1.00 0.09 C ATOM 357 C VAL A 24 -2.595 -2.144 -0.185 1.00 0.09 C ATOM 358 O VAL A 24 -2.553 -2.345 1.015 1.00 0.10 O ATOM 359 CB VAL A 24 -4.597 -0.770 -0.803 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.808 0.258 -1.619 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.031 -0.842 -1.332 1.00 0.14 C ATOM 0 H VAL A 24 -5.155 -2.963 0.614 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.776 -2.358 -1.989 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.611 -0.473 0.246 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.281 1.236 -1.528 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.786 0.313 -1.244 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.794 -0.042 -2.667 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.502 0.137 -1.240 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.018 -1.141 -2.380 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.596 -1.573 -0.753 1.00 0.14 H new ATOM 371 N VAL A 25 -1.500 -1.944 -0.879 1.00 0.09 N ATOM 372 CA VAL A 25 -0.160 -1.948 -0.207 1.00 0.09 C ATOM 373 C VAL A 25 0.557 -0.638 -0.513 1.00 0.10 C ATOM 374 O VAL A 25 0.850 -0.332 -1.650 1.00 0.11 O ATOM 375 CB VAL A 25 0.683 -3.109 -0.746 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.999 -3.203 0.030 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.083 -4.423 -0.588 1.00 0.10 C ATOM 0 H VAL A 25 -1.476 -1.778 -1.885 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.296 -2.060 0.869 1.00 0.09 H new ATOM 0 HB VAL A 25 0.893 -2.930 -1.801 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.592 -4.030 -0.359 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.555 -2.273 -0.083 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.788 -3.373 1.086 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.521 -5.245 -0.973 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.299 -4.594 0.467 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.018 -4.368 -1.145 1.00 0.10 H new ATOM 387 N ASP A 26 0.862 0.129 0.496 1.00 0.11 N ATOM 388 CA ASP A 26 1.585 1.422 0.278 1.00 0.12 C ATOM 389 C ASP A 26 3.088 1.226 0.520 1.00 0.14 C ATOM 390 O ASP A 26 3.513 0.849 1.591 1.00 0.20 O ATOM 391 CB ASP A 26 1.035 2.481 1.234 1.00 0.14 C ATOM 392 CG ASP A 26 1.776 3.799 1.006 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.779 4.268 -0.118 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.325 4.320 1.962 1.00 1.04 O ATOM 0 H ASP A 26 0.642 -0.082 1.469 1.00 0.11 H new ATOM 0 HA ASP A 26 1.434 1.752 -0.750 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.034 2.618 1.068 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.158 2.155 2.267 1.00 0.14 H new ATOM 399 N PHE A 27 3.892 1.481 -0.475 1.00 0.13 N ATOM 400 CA PHE A 27 5.377 1.325 -0.339 1.00 0.13 C ATOM 401 C PHE A 27 6.016 2.671 -0.021 1.00 0.22 C ATOM 402 O PHE A 27 7.172 2.901 -0.314 1.00 0.73 O ATOM 403 CB PHE A 27 5.957 0.797 -1.653 1.00 0.11 C ATOM 404 CG PHE A 27 5.642 -0.667 -1.800 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.437 -1.613 -1.143 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.573 -1.084 -2.598 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.164 -2.977 -1.283 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.298 -2.448 -2.734 1.00 0.14 C ATOM 409 CZ PHE A 27 5.091 -3.394 -2.078 1.00 0.14 C ATOM 0 H PHE A 27 3.582 1.797 -1.394 1.00 0.13 H new ATOM 0 HA PHE A 27 5.586 0.624 0.469 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.542 1.353 -2.493 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.036 0.949 -1.672 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.263 -1.289 -0.527 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.961 -0.355 -3.108 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.780 -3.707 -0.779 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.470 -2.772 -3.348 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.875 -4.447 -2.185 1.00 0.14 H new ATOM 419 N SER A 28 5.274 3.571 0.540 1.00 0.30 N ATOM 420 CA SER A 28 5.845 4.911 0.832 1.00 0.24 C ATOM 421 C SER A 28 7.073 4.786 1.724 1.00 0.24 C ATOM 422 O SER A 28 7.123 3.981 2.632 1.00 0.28 O ATOM 423 CB SER A 28 4.801 5.759 1.555 1.00 0.27 C ATOM 424 OG SER A 28 3.652 5.901 0.729 1.00 0.29 O ATOM 0 H SER A 28 4.299 3.442 0.810 1.00 0.30 H new ATOM 0 HA SER A 28 6.131 5.379 -0.110 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.527 5.290 2.500 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.214 6.739 1.793 1.00 0.27 H new ATOM 0 HG SER A 28 2.843 5.801 1.274 1.00 0.29 H new ATOM 430 N ALA A 29 8.064 5.600 1.476 1.00 0.20 N ATOM 431 CA ALA A 29 9.289 5.556 2.311 1.00 0.21 C ATOM 432 C ALA A 29 9.014 6.356 3.578 1.00 0.22 C ATOM 433 O ALA A 29 8.629 7.506 3.524 1.00 0.22 O ATOM 434 CB ALA A 29 10.464 6.192 1.541 1.00 0.19 C ATOM 0 H ALA A 29 8.074 6.294 0.728 1.00 0.20 H new ATOM 0 HA ALA A 29 9.549 4.526 2.557 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.363 6.159 2.157 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.636 5.639 0.618 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.225 7.229 1.304 1.00 0.19 H new ATOM 440 N THR A 30 9.208 5.766 4.714 1.00 0.23 N ATOM 441 CA THR A 30 8.952 6.516 5.963 1.00 0.24 C ATOM 442 C THR A 30 9.996 7.629 6.079 1.00 0.22 C ATOM 443 O THR A 30 9.720 8.703 6.576 1.00 0.22 O ATOM 444 CB THR A 30 9.064 5.565 7.162 1.00 0.28 C ATOM 445 OG1 THR A 30 8.844 6.289 8.365 1.00 0.30 O ATOM 446 CG2 THR A 30 10.457 4.932 7.191 1.00 0.29 C ATOM 0 H THR A 30 9.530 4.805 4.833 1.00 0.23 H new ATOM 0 HA THR A 30 7.951 6.947 5.949 1.00 0.24 H new ATOM 0 HB THR A 30 8.314 4.779 7.070 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.914 5.681 9.130 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.532 4.257 8.044 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.622 4.373 6.270 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.211 5.715 7.280 1.00 0.29 H new ATOM 454 N TRP A 31 11.189 7.380 5.601 1.00 0.22 N ATOM 455 CA TRP A 31 12.260 8.420 5.668 1.00 0.21 C ATOM 456 C TRP A 31 11.964 9.571 4.705 1.00 0.19 C ATOM 457 O TRP A 31 12.433 10.677 4.886 1.00 0.22 O ATOM 458 CB TRP A 31 13.599 7.800 5.287 1.00 0.23 C ATOM 459 CG TRP A 31 13.540 7.272 3.886 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.247 5.996 3.554 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.760 7.979 2.627 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.322 5.858 2.181 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.620 7.055 1.563 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.073 9.312 2.307 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.787 7.441 0.233 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.237 9.703 0.969 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.095 8.771 -0.065 1.00 0.21 C ATOM 0 H TRP A 31 11.468 6.500 5.167 1.00 0.22 H new ATOM 0 HA TRP A 31 12.295 8.806 6.687 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.391 8.545 5.371 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.845 6.994 5.978 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.995 5.210 4.250 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.175 4.979 1.685 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.188 10.040 3.096 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.679 6.717 -0.561 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.474 10.730 0.736 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.223 9.079 -1.092 1.00 0.21 H new ATOM 478 N CYS A 32 11.201 9.327 3.676 1.00 0.18 N ATOM 479 CA CYS A 32 10.895 10.421 2.712 1.00 0.17 C ATOM 480 C CYS A 32 9.720 11.217 3.276 1.00 0.17 C ATOM 481 O CYS A 32 8.676 10.675 3.578 1.00 0.20 O ATOM 482 CB CYS A 32 10.545 9.805 1.345 1.00 0.18 C ATOM 483 SG CYS A 32 10.759 11.041 0.030 1.00 0.26 S ATOM 0 H CYS A 32 10.778 8.424 3.461 1.00 0.18 H new ATOM 0 HA CYS A 32 11.750 11.083 2.573 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.183 8.943 1.152 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.516 9.445 1.352 1.00 0.18 H new ATOM 488 N GLY A 33 9.900 12.499 3.459 1.00 0.20 N ATOM 489 CA GLY A 33 8.815 13.333 4.045 1.00 0.23 C ATOM 490 C GLY A 33 7.614 13.422 3.102 1.00 0.21 C ATOM 491 O GLY A 33 6.496 13.183 3.506 1.00 0.22 O ATOM 0 H GLY A 33 10.755 13.004 3.226 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.501 12.908 4.998 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.194 14.334 4.251 1.00 0.23 H new ATOM 495 N PRO A 34 7.819 13.782 1.863 1.00 0.21 N ATOM 496 CA PRO A 34 6.683 13.892 0.911 1.00 0.22 C ATOM 497 C PRO A 34 5.858 12.600 0.871 1.00 0.22 C ATOM 498 O PRO A 34 4.659 12.621 0.696 1.00 0.24 O ATOM 499 CB PRO A 34 7.411 14.147 -0.418 1.00 0.29 C ATOM 500 CG PRO A 34 8.814 14.662 -0.074 1.00 0.31 C ATOM 501 CD PRO A 34 9.166 14.111 1.316 1.00 0.24 C ATOM 0 HA PRO A 34 5.961 14.666 1.169 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.471 13.231 -1.006 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.870 14.877 -1.019 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.540 14.329 -0.816 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.836 15.752 -0.074 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.809 13.233 1.257 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.687 14.847 1.928 1.00 0.24 H new ATOM 509 N ALA A 35 6.504 11.476 1.034 1.00 0.21 N ATOM 510 CA ALA A 35 5.769 10.179 1.005 1.00 0.23 C ATOM 511 C ALA A 35 5.016 9.967 2.328 1.00 0.23 C ATOM 512 O ALA A 35 3.826 9.731 2.340 1.00 0.22 O ATOM 513 CB ALA A 35 6.776 9.043 0.782 1.00 0.24 C ATOM 0 H ALA A 35 7.510 11.401 1.186 1.00 0.21 H new ATOM 0 HA ALA A 35 5.041 10.188 0.194 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.249 8.089 0.759 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.292 9.195 -0.166 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.503 9.037 1.594 1.00 0.24 H new ATOM 519 N LYS A 36 5.700 10.046 3.441 1.00 0.25 N ATOM 520 CA LYS A 36 5.014 9.852 4.756 1.00 0.27 C ATOM 521 C LYS A 36 3.917 10.906 4.928 1.00 0.26 C ATOM 522 O LYS A 36 2.869 10.641 5.476 1.00 0.27 O ATOM 523 CB LYS A 36 6.024 9.973 5.904 1.00 0.33 C ATOM 524 CG LYS A 36 5.346 9.574 7.223 1.00 0.37 C ATOM 525 CD LYS A 36 6.288 9.848 8.407 1.00 0.44 C ATOM 526 CE LYS A 36 5.612 9.401 9.707 1.00 0.89 C ATOM 527 NZ LYS A 36 6.541 9.608 10.859 1.00 1.59 N ATOM 0 H LYS A 36 6.701 10.236 3.497 1.00 0.25 H new ATOM 0 HA LYS A 36 4.570 8.857 4.776 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.884 9.331 5.716 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.397 10.995 5.969 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.420 10.134 7.348 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.079 8.518 7.198 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.228 9.313 8.270 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.530 10.910 8.456 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.693 9.967 9.863 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.331 8.350 9.639 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.077 9.303 11.738 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.406 9.049 10.712 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.788 10.616 10.929 1.00 1.59 H new ATOM 541 N MET A 37 4.157 12.103 4.471 1.00 0.28 N ATOM 542 CA MET A 37 3.144 13.190 4.619 1.00 0.30 C ATOM 543 C MET A 37 1.850 12.796 3.908 1.00 0.25 C ATOM 544 O MET A 37 0.777 13.197 4.300 1.00 0.25 O ATOM 545 CB MET A 37 3.705 14.473 3.994 1.00 0.38 C ATOM 546 CG MET A 37 2.794 15.665 4.311 1.00 0.44 C ATOM 547 SD MET A 37 1.327 15.617 3.249 1.00 1.54 S ATOM 548 CE MET A 37 0.731 17.286 3.616 1.00 2.10 C ATOM 0 H MET A 37 5.017 12.379 3.998 1.00 0.28 H new ATOM 0 HA MET A 37 2.929 13.352 5.675 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.708 14.662 4.376 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.792 14.351 2.914 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.496 15.638 5.359 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.335 16.599 4.157 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.185 17.476 3.057 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.530 17.374 4.684 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.489 18.014 3.329 1.00 2.10 H new ATOM 558 N ILE A 38 1.957 12.034 2.858 1.00 0.23 N ATOM 559 CA ILE A 38 0.754 11.605 2.084 1.00 0.25 C ATOM 560 C ILE A 38 0.060 10.408 2.749 1.00 0.26 C ATOM 561 O ILE A 38 -0.960 9.942 2.277 1.00 0.31 O ATOM 562 CB ILE A 38 1.195 11.203 0.671 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.763 12.431 -0.047 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.003 10.639 -0.119 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.598 11.983 -1.241 1.00 0.49 C ATOM 0 H ILE A 38 2.843 11.682 2.494 1.00 0.23 H new ATOM 0 HA ILE A 38 0.049 12.435 2.051 1.00 0.25 H new ATOM 0 HB ILE A 38 1.962 10.431 0.739 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.951 13.078 -0.380 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.376 13.015 0.639 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.330 10.358 -1.120 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.391 9.762 0.394 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.777 11.397 -0.192 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.002 12.857 -1.751 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.418 11.354 -0.896 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.972 11.417 -1.931 1.00 0.49 H new ATOM 577 N LYS A 39 0.613 9.866 3.802 1.00 0.27 N ATOM 578 CA LYS A 39 -0.026 8.663 4.412 1.00 0.34 C ATOM 579 C LYS A 39 -1.432 8.942 5.008 1.00 0.30 C ATOM 580 O LYS A 39 -2.213 8.020 5.103 1.00 0.33 O ATOM 581 CB LYS A 39 0.874 7.977 5.482 1.00 0.46 C ATOM 582 CG LYS A 39 0.811 8.670 6.866 1.00 0.50 C ATOM 583 CD LYS A 39 1.657 7.900 7.906 1.00 0.65 C ATOM 584 CE LYS A 39 1.268 6.412 7.952 1.00 0.80 C ATOM 585 NZ LYS A 39 1.641 5.832 9.276 1.00 0.75 N ATOM 0 H LYS A 39 1.463 10.196 4.259 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.153 7.975 3.576 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.570 6.936 5.590 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.906 7.973 5.131 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.175 9.694 6.782 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.224 8.726 7.203 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.715 7.994 7.659 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.519 8.345 8.891 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.196 6.302 7.785 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.773 5.870 7.152 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 1.848 4.819 9.165 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.483 6.319 9.643 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 0.852 5.954 9.943 1.00 0.75 H new ATOM 599 N PRO A 40 -1.771 10.137 5.481 1.00 0.26 N ATOM 600 CA PRO A 40 -3.109 10.326 6.118 1.00 0.25 C ATOM 601 C PRO A 40 -4.268 9.920 5.214 1.00 0.20 C ATOM 602 O PRO A 40 -5.225 9.345 5.671 1.00 0.21 O ATOM 603 CB PRO A 40 -3.121 11.833 6.404 1.00 0.26 C ATOM 604 CG PRO A 40 -1.666 12.291 6.390 1.00 0.28 C ATOM 605 CD PRO A 40 -0.936 11.372 5.407 1.00 0.27 C ATOM 0 HA PRO A 40 -3.244 9.701 7.001 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.702 12.366 5.651 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.583 12.041 7.369 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.589 13.333 6.079 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.227 12.223 7.385 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.907 11.788 4.400 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.096 11.188 5.706 1.00 0.27 H new ATOM 613 N PHE A 41 -4.210 10.207 3.944 1.00 0.16 N ATOM 614 CA PHE A 41 -5.354 9.799 3.088 1.00 0.13 C ATOM 615 C PHE A 41 -5.370 8.276 3.003 1.00 0.13 C ATOM 616 O PHE A 41 -6.387 7.635 3.161 1.00 0.15 O ATOM 617 CB PHE A 41 -5.179 10.370 1.683 1.00 0.14 C ATOM 618 CG PHE A 41 -5.367 11.865 1.704 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.382 12.683 2.266 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.526 12.433 1.159 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.554 14.072 2.285 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.697 13.823 1.177 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.712 14.642 1.741 1.00 0.37 C ATOM 0 H PHE A 41 -3.445 10.691 3.474 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.285 10.172 3.514 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.187 10.126 1.304 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.900 9.915 1.005 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.489 12.243 2.685 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.286 11.800 0.726 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.794 14.704 2.719 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.589 14.263 0.756 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.845 15.714 1.757 1.00 0.37 H new ATOM 633 N PHE A 42 -4.227 7.693 2.799 1.00 0.12 N ATOM 634 CA PHE A 42 -4.135 6.210 2.727 1.00 0.13 C ATOM 635 C PHE A 42 -4.608 5.580 4.044 1.00 0.14 C ATOM 636 O PHE A 42 -5.488 4.743 4.069 1.00 0.16 O ATOM 637 CB PHE A 42 -2.675 5.847 2.441 1.00 0.13 C ATOM 638 CG PHE A 42 -2.505 4.351 2.468 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.877 3.577 1.363 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.986 3.737 3.614 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.731 2.184 1.407 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.838 2.347 3.658 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.211 1.569 2.555 1.00 0.13 C ATOM 0 H PHE A 42 -3.342 8.185 2.677 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.777 5.825 1.935 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.378 6.238 1.468 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.024 6.309 3.183 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.276 4.052 0.479 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.700 4.337 4.465 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.019 1.584 0.557 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.436 1.874 4.542 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.098 0.495 2.588 1.00 0.13 H new ATOM 653 N HIS A 43 -4.024 5.986 5.135 1.00 0.16 N ATOM 654 CA HIS A 43 -4.405 5.433 6.467 1.00 0.18 C ATOM 655 C HIS A 43 -5.832 5.862 6.853 1.00 0.16 C ATOM 656 O HIS A 43 -6.594 5.084 7.390 1.00 0.16 O ATOM 657 CB HIS A 43 -3.384 5.940 7.502 1.00 0.23 C ATOM 658 CG HIS A 43 -3.723 5.424 8.870 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.147 4.284 9.409 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.613 5.873 9.806 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.703 4.085 10.619 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.605 5.026 10.909 1.00 0.31 N ATOM 0 H HIS A 43 -3.286 6.690 5.162 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.395 4.344 6.434 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.382 5.615 7.222 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.375 7.030 7.510 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.230 6.754 9.704 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.450 3.265 11.275 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.167 5.106 11.757 1.00 0.31 H new ATOM 670 N SER A 44 -6.195 7.092 6.597 1.00 0.15 N ATOM 671 CA SER A 44 -7.570 7.565 6.958 1.00 0.15 C ATOM 672 C SER A 44 -8.641 6.769 6.197 1.00 0.13 C ATOM 673 O SER A 44 -9.708 6.497 6.712 1.00 0.15 O ATOM 674 CB SER A 44 -7.717 9.048 6.626 1.00 0.18 C ATOM 675 OG SER A 44 -6.774 9.793 7.388 1.00 0.22 O ATOM 0 H SER A 44 -5.600 7.792 6.153 1.00 0.15 H new ATOM 0 HA SER A 44 -7.709 7.411 8.028 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.553 9.213 5.561 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.730 9.384 6.849 1.00 0.18 H new ATOM 0 HG SER A 44 -5.997 10.004 6.830 1.00 0.22 H new ATOM 681 N LEU A 45 -8.373 6.416 4.970 1.00 0.12 N ATOM 682 CA LEU A 45 -9.381 5.663 4.166 1.00 0.14 C ATOM 683 C LEU A 45 -9.642 4.307 4.797 1.00 0.13 C ATOM 684 O LEU A 45 -10.642 3.672 4.525 1.00 0.15 O ATOM 685 CB LEU A 45 -8.876 5.470 2.737 1.00 0.16 C ATOM 686 CG LEU A 45 -8.952 6.804 1.971 1.00 0.18 C ATOM 687 CD1 LEU A 45 -8.013 6.756 0.760 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.391 7.068 1.490 1.00 0.22 C ATOM 0 H LEU A 45 -7.497 6.616 4.487 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.308 6.236 4.145 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.849 5.106 2.751 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.475 4.714 2.229 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.650 7.609 2.641 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -8.068 7.701 0.219 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.990 6.591 1.099 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.312 5.942 0.100 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.426 8.015 0.951 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.707 6.261 0.829 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -11.059 7.115 2.350 1.00 0.22 H new ATOM 700 N SER A 46 -8.757 3.838 5.627 1.00 0.12 N ATOM 701 CA SER A 46 -8.984 2.510 6.249 1.00 0.12 C ATOM 702 C SER A 46 -10.370 2.524 6.895 1.00 0.14 C ATOM 703 O SER A 46 -11.108 1.563 6.829 1.00 0.16 O ATOM 704 CB SER A 46 -7.913 2.254 7.313 1.00 0.13 C ATOM 705 OG SER A 46 -6.632 2.278 6.695 1.00 0.14 O ATOM 0 H SER A 46 -7.895 4.311 5.899 1.00 0.12 H new ATOM 0 HA SER A 46 -8.926 1.720 5.500 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.969 3.013 8.094 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.082 1.290 7.793 1.00 0.13 H new ATOM 0 HG SER A 46 -6.262 3.184 6.744 1.00 0.14 H new ATOM 711 N GLU A 47 -10.733 3.619 7.506 1.00 0.15 N ATOM 712 CA GLU A 47 -12.076 3.710 8.141 1.00 0.18 C ATOM 713 C GLU A 47 -13.122 4.081 7.074 1.00 0.18 C ATOM 714 O GLU A 47 -14.307 3.915 7.280 1.00 0.21 O ATOM 715 CB GLU A 47 -12.039 4.787 9.229 1.00 0.22 C ATOM 716 CG GLU A 47 -11.153 4.306 10.382 1.00 0.23 C ATOM 717 CD GLU A 47 -9.687 4.337 9.942 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.367 5.135 9.077 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.910 3.561 10.476 1.00 2.05 O ATOM 0 H GLU A 47 -10.155 4.455 7.592 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.344 2.751 8.585 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.651 5.720 8.821 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -13.047 4.992 9.590 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.296 4.942 11.255 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.435 3.295 10.675 1.00 0.23 H new ATOM 726 N LYS A 48 -12.696 4.572 5.927 1.00 0.17 N ATOM 727 CA LYS A 48 -13.684 4.928 4.855 1.00 0.19 C ATOM 728 C LYS A 48 -14.135 3.630 4.198 1.00 0.18 C ATOM 729 O LYS A 48 -15.296 3.440 3.891 1.00 0.21 O ATOM 730 CB LYS A 48 -13.026 5.841 3.807 1.00 0.20 C ATOM 731 CG LYS A 48 -14.052 6.296 2.747 1.00 0.30 C ATOM 732 CD LYS A 48 -15.062 7.287 3.351 1.00 0.82 C ATOM 733 CE LYS A 48 -15.746 8.087 2.231 1.00 1.03 C ATOM 734 NZ LYS A 48 -16.798 8.970 2.816 1.00 1.78 N ATOM 0 H LYS A 48 -11.718 4.739 5.691 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.533 5.461 5.283 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.595 6.713 4.299 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.207 5.311 3.321 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -13.533 6.764 1.910 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.580 5.429 2.350 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -15.810 6.748 3.933 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.553 7.966 4.036 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.009 8.687 1.697 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -16.191 7.407 1.504 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -17.259 9.510 2.057 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -17.507 8.388 3.306 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -16.362 9.628 3.493 1.00 1.78 H new ATOM 748 N TYR A 49 -13.211 2.722 4.019 1.00 0.16 N ATOM 749 CA TYR A 49 -13.538 1.390 3.422 1.00 0.17 C ATOM 750 C TYR A 49 -13.083 0.326 4.412 1.00 0.16 C ATOM 751 O TYR A 49 -12.161 -0.424 4.165 1.00 0.16 O ATOM 752 CB TYR A 49 -12.791 1.210 2.094 1.00 0.17 C ATOM 753 CG TYR A 49 -13.282 2.233 1.101 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.517 2.047 0.471 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.512 3.366 0.811 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.985 2.992 -0.449 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.981 4.312 -0.109 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.217 4.126 -0.738 1.00 0.21 C ATOM 759 OH TYR A 49 -14.677 5.058 -1.645 1.00 0.25 O ATOM 0 H TYR A 49 -12.229 2.848 4.264 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.607 1.311 3.226 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.718 1.323 2.249 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.953 0.204 1.707 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.110 1.173 0.695 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.558 3.510 1.296 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.938 2.846 -0.936 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.388 5.186 -0.333 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.156 5.884 -1.558 1.00 0.25 H new ATOM 769 N SER A 50 -13.740 0.261 5.540 1.00 0.17 N ATOM 770 CA SER A 50 -13.368 -0.732 6.575 1.00 0.18 C ATOM 771 C SER A 50 -13.574 -2.135 6.010 1.00 0.19 C ATOM 772 O SER A 50 -13.169 -3.118 6.596 1.00 0.21 O ATOM 773 CB SER A 50 -14.250 -0.526 7.802 1.00 0.20 C ATOM 774 OG SER A 50 -15.557 -1.007 7.526 1.00 0.22 O ATOM 0 H SER A 50 -14.526 0.863 5.785 1.00 0.17 H new ATOM 0 HA SER A 50 -12.323 -0.609 6.861 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.830 -1.052 8.659 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.287 0.531 8.064 1.00 0.20 H new ATOM 0 HG SER A 50 -16.126 -0.878 8.313 1.00 0.22 H new ATOM 780 N ASN A 51 -14.185 -2.231 4.858 1.00 0.20 N ATOM 781 CA ASN A 51 -14.402 -3.567 4.231 1.00 0.23 C ATOM 782 C ASN A 51 -13.201 -3.880 3.343 1.00 0.19 C ATOM 783 O ASN A 51 -13.177 -4.861 2.627 1.00 0.22 O ATOM 784 CB ASN A 51 -15.673 -3.537 3.379 1.00 0.32 C ATOM 785 CG ASN A 51 -16.027 -4.960 2.932 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.445 -5.777 3.730 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.873 -5.294 1.676 1.00 0.27 N ATOM 0 H ASN A 51 -14.544 -1.440 4.324 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.511 -4.329 5.002 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.496 -3.109 3.951 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.524 -2.898 2.509 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.103 -6.239 1.367 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.523 -4.610 1.006 1.00 0.27 H new ATOM 794 N VAL A 52 -12.197 -3.043 3.404 1.00 0.21 N ATOM 795 CA VAL A 52 -10.963 -3.247 2.595 1.00 0.17 C ATOM 796 C VAL A 52 -9.766 -3.251 3.549 1.00 0.13 C ATOM 797 O VAL A 52 -9.770 -2.562 4.550 1.00 0.14 O ATOM 798 CB VAL A 52 -10.828 -2.103 1.583 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.441 -2.151 0.915 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.929 -2.234 0.522 1.00 0.24 C ATOM 0 H VAL A 52 -12.183 -2.211 3.993 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.008 -4.191 2.052 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.933 -1.148 2.098 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.354 -1.335 0.198 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.667 -2.049 1.676 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.319 -3.103 0.398 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.837 -1.423 -0.200 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.827 -3.190 0.008 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.906 -2.183 1.003 1.00 0.24 H new ATOM 810 N ILE A 53 -8.754 -4.040 3.277 1.00 0.11 N ATOM 811 CA ILE A 53 -7.579 -4.093 4.208 1.00 0.09 C ATOM 812 C ILE A 53 -6.441 -3.225 3.647 1.00 0.09 C ATOM 813 O ILE A 53 -5.984 -3.439 2.542 1.00 0.12 O ATOM 814 CB ILE A 53 -7.082 -5.541 4.312 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.267 -6.481 4.591 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.052 -5.660 5.453 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.066 -5.999 5.807 1.00 0.15 C ATOM 0 H ILE A 53 -8.689 -4.645 2.458 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.879 -3.726 5.189 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.612 -5.823 3.370 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.917 -6.525 3.717 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.901 -7.493 4.767 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.703 -6.690 5.522 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.206 -5.003 5.250 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.518 -5.371 6.395 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.900 -6.678 5.987 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.418 -5.979 6.683 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.449 -4.997 5.616 1.00 0.15 H new ATOM 829 N PHE A 54 -5.975 -2.255 4.401 1.00 0.08 N ATOM 830 CA PHE A 54 -4.857 -1.375 3.909 1.00 0.09 C ATOM 831 C PHE A 54 -3.531 -1.788 4.573 1.00 0.09 C ATOM 832 O PHE A 54 -3.431 -1.855 5.782 1.00 0.12 O ATOM 833 CB PHE A 54 -5.151 0.084 4.286 1.00 0.10 C ATOM 834 CG PHE A 54 -6.348 0.594 3.514 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.637 0.176 3.861 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.168 1.494 2.453 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.743 0.657 3.151 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.277 1.973 1.744 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.563 1.553 2.093 1.00 0.10 C ATOM 0 H PHE A 54 -6.318 -2.033 5.335 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.779 -1.480 2.827 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.341 0.159 5.357 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.281 0.705 4.073 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.779 -0.518 4.677 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.174 1.818 2.183 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.738 0.335 3.421 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.138 2.667 0.928 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.418 1.921 1.545 1.00 0.10 H new ATOM 849 N LEU A 55 -2.502 -2.046 3.788 1.00 0.09 N ATOM 850 CA LEU A 55 -1.162 -2.432 4.363 1.00 0.11 C ATOM 851 C LEU A 55 -0.154 -1.312 4.117 1.00 0.10 C ATOM 852 O LEU A 55 -0.104 -0.726 3.054 1.00 0.10 O ATOM 853 CB LEU A 55 -0.606 -3.723 3.712 1.00 0.12 C ATOM 854 CG LEU A 55 -1.408 -4.970 4.135 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.903 -4.791 3.862 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.888 -6.185 3.359 1.00 0.22 C ATOM 0 H LEU A 55 -2.533 -2.006 2.769 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.307 -2.605 5.429 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.634 -3.624 2.627 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.439 -3.851 3.993 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.277 -5.119 5.207 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.439 -5.688 4.172 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.275 -3.934 4.423 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.061 -4.624 2.797 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.450 -7.072 3.652 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.012 -6.014 2.290 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.168 -6.335 3.582 1.00 0.22 H new ATOM 868 N GLU A 56 0.677 -1.044 5.092 1.00 0.12 N ATOM 869 CA GLU A 56 1.731 0.005 4.941 1.00 0.13 C ATOM 870 C GLU A 56 3.075 -0.715 4.883 1.00 0.13 C ATOM 871 O GLU A 56 3.354 -1.578 5.692 1.00 0.14 O ATOM 872 CB GLU A 56 1.691 0.967 6.133 1.00 0.15 C ATOM 873 CG GLU A 56 2.610 2.164 5.856 1.00 0.17 C ATOM 874 CD GLU A 56 2.792 2.985 7.137 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.816 3.558 7.599 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.905 3.029 7.634 1.00 1.13 O ATOM 0 H GLU A 56 0.670 -1.513 5.998 1.00 0.12 H new ATOM 0 HA GLU A 56 1.570 0.592 4.037 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.670 1.310 6.303 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.009 0.453 7.040 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.578 1.816 5.496 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.183 2.788 5.071 1.00 0.17 H new ATOM 883 N VAL A 57 3.892 -0.404 3.908 1.00 0.12 N ATOM 884 CA VAL A 57 5.210 -1.107 3.762 1.00 0.12 C ATOM 885 C VAL A 57 6.355 -0.089 3.660 1.00 0.11 C ATOM 886 O VAL A 57 6.268 0.897 2.957 1.00 0.13 O ATOM 887 CB VAL A 57 5.163 -1.946 2.487 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.459 -2.731 2.339 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.996 -2.926 2.577 1.00 0.14 C ATOM 0 H VAL A 57 3.705 0.309 3.203 1.00 0.12 H new ATOM 0 HA VAL A 57 5.387 -1.738 4.633 1.00 0.12 H new ATOM 0 HB VAL A 57 5.036 -1.289 1.626 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.421 -3.328 1.428 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.299 -2.039 2.284 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.586 -3.389 3.199 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.956 -3.529 1.670 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.134 -3.578 3.440 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.063 -2.372 2.686 1.00 0.14 H new ATOM 899 N ASP A 58 7.438 -0.337 4.357 1.00 0.10 N ATOM 900 CA ASP A 58 8.612 0.588 4.316 1.00 0.09 C ATOM 901 C ASP A 58 9.647 0.032 3.343 1.00 0.09 C ATOM 902 O ASP A 58 10.161 -1.052 3.535 1.00 0.09 O ATOM 903 CB ASP A 58 9.235 0.652 5.704 1.00 0.10 C ATOM 904 CG ASP A 58 10.275 1.775 5.743 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.491 2.392 4.712 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.835 2.001 6.802 1.00 1.02 O ATOM 0 H ASP A 58 7.559 -1.151 4.959 1.00 0.10 H new ATOM 0 HA ASP A 58 8.293 1.581 3.998 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.463 0.830 6.453 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.704 -0.301 5.949 1.00 0.10 H new ATOM 911 N VAL A 59 9.994 0.754 2.320 1.00 0.09 N ATOM 912 CA VAL A 59 11.014 0.214 1.382 1.00 0.10 C ATOM 913 C VAL A 59 12.346 0.129 2.123 1.00 0.11 C ATOM 914 O VAL A 59 13.258 -0.555 1.705 1.00 0.12 O ATOM 915 CB VAL A 59 11.156 1.137 0.164 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.834 1.176 -0.599 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.518 2.553 0.613 1.00 0.16 C ATOM 0 H VAL A 59 9.625 1.678 2.093 1.00 0.09 H new ATOM 0 HA VAL A 59 10.711 -0.773 1.032 1.00 0.10 H new ATOM 0 HB VAL A 59 11.947 0.753 -0.480 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.933 1.831 -1.465 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.576 0.171 -0.932 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.048 1.554 0.054 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.616 3.198 -0.260 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.734 2.940 1.264 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.463 2.532 1.156 1.00 0.16 H new ATOM 927 N ASP A 60 12.473 0.837 3.220 1.00 0.10 N ATOM 928 CA ASP A 60 13.761 0.811 3.979 1.00 0.12 C ATOM 929 C ASP A 60 13.736 -0.247 5.101 1.00 0.13 C ATOM 930 O ASP A 60 14.686 -0.986 5.268 1.00 0.15 O ATOM 931 CB ASP A 60 13.983 2.201 4.578 1.00 0.14 C ATOM 932 CG ASP A 60 14.546 3.136 3.501 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.450 2.788 2.336 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.077 4.173 3.861 1.00 1.07 O ATOM 0 H ASP A 60 11.744 1.428 3.620 1.00 0.10 H new ATOM 0 HA ASP A 60 14.573 0.545 3.302 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.044 2.597 4.964 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.673 2.140 5.420 1.00 0.14 H new ATOM 939 N ASP A 61 12.671 -0.350 5.858 1.00 0.13 N ATOM 940 CA ASP A 61 12.633 -1.384 6.948 1.00 0.15 C ATOM 941 C ASP A 61 11.964 -2.640 6.398 1.00 0.14 C ATOM 942 O ASP A 61 12.022 -3.705 6.981 1.00 0.19 O ATOM 943 CB ASP A 61 11.830 -0.869 8.149 1.00 0.16 C ATOM 944 CG ASP A 61 12.489 0.396 8.702 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.484 0.818 8.135 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.988 0.921 9.683 1.00 1.07 O ATOM 0 H ASP A 61 11.834 0.227 5.773 1.00 0.13 H new ATOM 0 HA ASP A 61 13.649 -1.602 7.276 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.804 -0.655 7.849 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.783 -1.635 8.923 1.00 0.16 H new ATOM 951 N ALA A 62 11.332 -2.507 5.264 1.00 0.11 N ATOM 952 CA ALA A 62 10.646 -3.661 4.616 1.00 0.12 C ATOM 953 C ALA A 62 11.193 -3.784 3.194 1.00 0.11 C ATOM 954 O ALA A 62 10.474 -4.047 2.251 1.00 0.12 O ATOM 955 CB ALA A 62 9.132 -3.404 4.599 1.00 0.14 C ATOM 0 H ALA A 62 11.261 -1.629 4.749 1.00 0.11 H new ATOM 0 HA ALA A 62 10.827 -4.587 5.161 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.625 -4.245 4.126 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.771 -3.291 5.621 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.924 -2.493 4.038 1.00 0.14 H new ATOM 961 N GLN A 63 12.462 -3.555 3.045 1.00 0.11 N ATOM 962 CA GLN A 63 13.095 -3.615 1.702 1.00 0.12 C ATOM 963 C GLN A 63 12.917 -5.009 1.106 1.00 0.12 C ATOM 964 O GLN A 63 12.940 -5.181 -0.093 1.00 0.14 O ATOM 965 CB GLN A 63 14.582 -3.286 1.843 1.00 0.13 C ATOM 966 CG GLN A 63 15.273 -4.376 2.663 1.00 0.15 C ATOM 967 CD GLN A 63 16.689 -3.923 3.015 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.214 -3.013 2.406 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.334 -4.518 3.980 1.00 1.43 N ATOM 0 H GLN A 63 13.099 -3.325 3.808 1.00 0.11 H new ATOM 0 HA GLN A 63 12.623 -2.892 1.037 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.043 -3.210 0.858 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.706 -2.318 2.328 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.707 -4.577 3.572 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.307 -5.307 2.097 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.894 -5.282 4.492 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.278 -4.219 4.223 1.00 1.43 H new ATOM 978 N ASP A 64 12.725 -6.005 1.924 1.00 0.13 N ATOM 979 CA ASP A 64 12.532 -7.372 1.378 1.00 0.13 C ATOM 980 C ASP A 64 11.214 -7.417 0.604 1.00 0.15 C ATOM 981 O ASP A 64 11.111 -8.042 -0.432 1.00 0.16 O ATOM 982 CB ASP A 64 12.504 -8.381 2.529 1.00 0.17 C ATOM 983 CG ASP A 64 11.520 -7.918 3.608 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.361 -7.733 3.291 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.948 -7.767 4.740 1.00 1.02 O ATOM 0 H ASP A 64 12.694 -5.931 2.941 1.00 0.13 H new ATOM 0 HA ASP A 64 13.353 -7.626 0.707 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.212 -9.363 2.156 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.501 -8.486 2.956 1.00 0.17 H new ATOM 990 N VAL A 65 10.208 -6.749 1.095 1.00 0.17 N ATOM 991 CA VAL A 65 8.900 -6.749 0.390 1.00 0.22 C ATOM 992 C VAL A 65 9.018 -5.951 -0.908 1.00 0.22 C ATOM 993 O VAL A 65 8.515 -6.340 -1.942 1.00 0.26 O ATOM 994 CB VAL A 65 7.844 -6.071 1.272 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.458 -6.293 0.662 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.890 -6.646 2.695 1.00 0.32 C ATOM 0 H VAL A 65 10.237 -6.203 1.956 1.00 0.17 H new ATOM 0 HA VAL A 65 8.613 -7.779 0.176 1.00 0.22 H new ATOM 0 HB VAL A 65 8.052 -5.002 1.324 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.705 -5.813 1.286 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.428 -5.863 -0.339 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.253 -7.362 0.604 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.135 -6.156 3.310 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.691 -7.717 2.661 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.877 -6.474 3.125 1.00 0.32 H new ATOM 1006 N ALA A 66 9.656 -4.816 -0.847 1.00 0.19 N ATOM 1007 CA ALA A 66 9.790 -3.961 -2.058 1.00 0.22 C ATOM 1008 C ALA A 66 10.813 -4.546 -3.041 1.00 0.23 C ATOM 1009 O ALA A 66 10.653 -4.447 -4.243 1.00 0.26 O ATOM 1010 CB ALA A 66 10.214 -2.556 -1.628 1.00 0.25 C ATOM 0 H ALA A 66 10.093 -4.442 -0.005 1.00 0.19 H new ATOM 0 HA ALA A 66 8.828 -3.919 -2.570 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.315 -1.921 -2.508 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.460 -2.136 -0.962 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.170 -2.608 -1.106 1.00 0.25 H new ATOM 1016 N SER A 67 11.872 -5.136 -2.554 1.00 0.21 N ATOM 1017 CA SER A 67 12.893 -5.704 -3.483 1.00 0.23 C ATOM 1018 C SER A 67 12.241 -6.774 -4.364 1.00 0.23 C ATOM 1019 O SER A 67 12.536 -6.891 -5.537 1.00 0.24 O ATOM 1020 CB SER A 67 14.029 -6.332 -2.670 1.00 0.23 C ATOM 1021 OG SER A 67 13.527 -7.450 -1.951 1.00 0.22 O ATOM 0 H SER A 67 12.074 -5.249 -1.561 1.00 0.21 H new ATOM 0 HA SER A 67 13.294 -4.910 -4.113 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.837 -6.643 -3.332 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.447 -5.599 -1.980 1.00 0.23 H new ATOM 0 HG SER A 67 12.643 -7.235 -1.588 1.00 0.22 H new ATOM 1027 N GLU A 68 11.347 -7.543 -3.810 1.00 0.23 N ATOM 1028 CA GLU A 68 10.659 -8.597 -4.609 1.00 0.25 C ATOM 1029 C GLU A 68 9.843 -7.942 -5.724 1.00 0.22 C ATOM 1030 O GLU A 68 9.745 -8.453 -6.822 1.00 0.24 O ATOM 1031 CB GLU A 68 9.721 -9.392 -3.693 1.00 0.29 C ATOM 1032 CG GLU A 68 9.180 -10.625 -4.428 1.00 0.32 C ATOM 1033 CD GLU A 68 8.115 -10.206 -5.447 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.520 -9.157 -5.260 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.909 -10.946 -6.396 1.00 2.06 O ATOM 0 H GLU A 68 11.061 -7.487 -2.833 1.00 0.23 H new ATOM 0 HA GLU A 68 11.400 -9.265 -5.047 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.255 -9.701 -2.794 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.894 -8.760 -3.371 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.995 -11.143 -4.934 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.753 -11.327 -3.712 1.00 0.32 H new ATOM 1042 N ALA A 69 9.233 -6.824 -5.436 1.00 0.20 N ATOM 1043 CA ALA A 69 8.399 -6.138 -6.461 1.00 0.20 C ATOM 1044 C ALA A 69 9.269 -5.240 -7.338 1.00 0.19 C ATOM 1045 O ALA A 69 8.786 -4.631 -8.271 1.00 0.20 O ATOM 1046 CB ALA A 69 7.340 -5.283 -5.761 1.00 0.23 C ATOM 0 H ALA A 69 9.277 -6.356 -4.531 1.00 0.20 H new ATOM 0 HA ALA A 69 7.919 -6.890 -7.087 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.727 -4.779 -6.508 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.708 -5.921 -5.143 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.830 -4.540 -5.132 1.00 0.23 H new ATOM 1052 N GLU A 70 10.536 -5.139 -7.044 1.00 0.18 N ATOM 1053 CA GLU A 70 11.417 -4.266 -7.869 1.00 0.18 C ATOM 1054 C GLU A 70 10.827 -2.857 -7.917 1.00 0.17 C ATOM 1055 O GLU A 70 10.683 -2.276 -8.973 1.00 0.18 O ATOM 1056 CB GLU A 70 11.527 -4.813 -9.299 1.00 0.22 C ATOM 1057 CG GLU A 70 12.303 -6.130 -9.293 1.00 0.24 C ATOM 1058 CD GLU A 70 11.445 -7.237 -8.677 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.235 -7.171 -8.819 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.012 -8.131 -8.072 1.00 2.02 O ATOM 0 H GLU A 70 10.997 -5.621 -6.272 1.00 0.18 H new ATOM 0 HA GLU A 70 12.410 -4.244 -7.420 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.532 -4.969 -9.716 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.030 -4.087 -9.938 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.585 -6.400 -10.310 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.227 -6.015 -8.726 1.00 0.24 H new ATOM 1067 N VAL A 71 10.478 -2.295 -6.790 1.00 0.15 N ATOM 1068 CA VAL A 71 9.886 -0.930 -6.821 1.00 0.14 C ATOM 1069 C VAL A 71 10.941 0.046 -7.335 1.00 0.14 C ATOM 1070 O VAL A 71 12.080 0.030 -6.907 1.00 0.16 O ATOM 1071 CB VAL A 71 9.457 -0.504 -5.418 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.757 0.853 -5.510 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.494 -1.540 -4.828 1.00 0.15 C ATOM 0 H VAL A 71 10.576 -2.715 -5.865 1.00 0.15 H new ATOM 0 HA VAL A 71 9.012 -0.931 -7.472 1.00 0.14 H new ATOM 0 HB VAL A 71 10.332 -0.430 -4.773 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.445 1.170 -4.515 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.444 1.589 -5.926 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.882 0.768 -6.155 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.193 -1.229 -3.828 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.612 -1.621 -5.464 1.00 0.15 H new ATOM 0 HG23 VAL A 71 8.991 -2.509 -4.772 1.00 0.15 H new ATOM 1083 N LYS A 72 10.573 0.881 -8.273 1.00 0.15 N ATOM 1084 CA LYS A 72 11.545 1.853 -8.851 1.00 0.16 C ATOM 1085 C LYS A 72 11.305 3.262 -8.292 1.00 0.15 C ATOM 1086 O LYS A 72 12.116 4.148 -8.479 1.00 0.16 O ATOM 1087 CB LYS A 72 11.373 1.881 -10.372 1.00 0.19 C ATOM 1088 CG LYS A 72 11.677 0.496 -10.961 1.00 0.23 C ATOM 1089 CD LYS A 72 11.950 0.626 -12.463 1.00 0.74 C ATOM 1090 CE LYS A 72 12.275 -0.751 -13.041 1.00 0.88 C ATOM 1091 NZ LYS A 72 11.088 -1.639 -12.891 1.00 1.60 N ATOM 0 H LYS A 72 9.633 0.930 -8.665 1.00 0.15 H new ATOM 0 HA LYS A 72 12.555 1.541 -8.586 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.355 2.178 -10.626 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.040 2.625 -10.808 1.00 0.19 H new ATOM 0 HG2 LYS A 72 12.541 0.058 -10.461 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.836 -0.176 -10.791 1.00 0.23 H new ATOM 0 HD2 LYS A 72 11.080 1.048 -12.967 1.00 0.74 H new ATOM 0 HD3 LYS A 72 12.781 1.310 -12.635 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.547 -0.662 -14.093 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.133 -1.181 -12.525 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 11.163 -2.434 -13.557 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 11.049 -2.005 -11.918 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 10.223 -1.099 -13.093 1.00 1.60 H new ATOM 1105 N ALA A 73 10.205 3.492 -7.619 1.00 0.13 N ATOM 1106 CA ALA A 73 9.950 4.864 -7.078 1.00 0.13 C ATOM 1107 C ALA A 73 8.898 4.817 -5.960 1.00 0.11 C ATOM 1108 O ALA A 73 8.074 3.933 -5.909 1.00 0.12 O ATOM 1109 CB ALA A 73 9.459 5.771 -8.230 1.00 0.14 C ATOM 0 H ALA A 73 9.481 2.801 -7.422 1.00 0.13 H new ATOM 0 HA ALA A 73 10.873 5.264 -6.658 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.270 6.774 -7.848 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.222 5.817 -9.007 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.539 5.362 -8.648 1.00 0.14 H new ATOM 1115 N THR A 74 8.907 5.794 -5.085 1.00 0.11 N ATOM 1116 CA THR A 74 7.895 5.857 -3.984 1.00 0.11 C ATOM 1117 C THR A 74 7.266 7.261 -4.015 1.00 0.12 C ATOM 1118 O THR A 74 7.916 8.200 -4.417 1.00 0.15 O ATOM 1119 CB THR A 74 8.599 5.653 -2.631 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.385 6.794 -2.342 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.496 4.422 -2.685 1.00 0.14 C ATOM 0 H THR A 74 9.581 6.560 -5.087 1.00 0.11 H new ATOM 0 HA THR A 74 7.136 5.085 -4.113 1.00 0.11 H new ATOM 0 HB THR A 74 7.848 5.510 -1.854 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.835 6.671 -1.480 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.989 4.288 -1.722 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.893 3.542 -2.910 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.249 4.554 -3.462 1.00 0.14 H new ATOM 1129 N PRO A 75 6.046 7.438 -3.556 1.00 0.13 N ATOM 1130 CA PRO A 75 5.189 6.333 -3.046 1.00 0.10 C ATOM 1131 C PRO A 75 4.583 5.495 -4.176 1.00 0.09 C ATOM 1132 O PRO A 75 4.130 6.015 -5.177 1.00 0.10 O ATOM 1133 CB PRO A 75 4.097 7.107 -2.286 1.00 0.12 C ATOM 1134 CG PRO A 75 4.084 8.544 -2.832 1.00 0.15 C ATOM 1135 CD PRO A 75 5.439 8.800 -3.516 1.00 0.16 C ATOM 0 HA PRO A 75 5.736 5.611 -2.440 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.125 6.635 -2.426 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.301 7.106 -1.215 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.267 8.676 -3.542 1.00 0.15 H new ATOM 0 HG3 PRO A 75 3.923 9.258 -2.024 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.316 9.218 -4.515 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.053 9.501 -2.950 1.00 0.16 H new ATOM 1143 N THR A 76 4.527 4.204 -3.986 1.00 0.09 N ATOM 1144 CA THR A 76 3.904 3.298 -5.000 1.00 0.09 C ATOM 1145 C THR A 76 2.825 2.486 -4.302 1.00 0.10 C ATOM 1146 O THR A 76 3.032 1.950 -3.232 1.00 0.12 O ATOM 1147 CB THR A 76 4.955 2.362 -5.605 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.963 3.133 -6.232 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.297 1.437 -6.632 1.00 0.13 C ATOM 0 H THR A 76 4.891 3.730 -3.160 1.00 0.09 H new ATOM 0 HA THR A 76 3.475 3.887 -5.811 1.00 0.09 H new ATOM 0 HB THR A 76 5.399 1.756 -4.815 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.716 3.249 -5.616 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.049 0.774 -7.059 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.524 0.843 -6.144 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.848 2.035 -7.425 1.00 0.13 H new ATOM 1157 N PHE A 77 1.667 2.408 -4.892 1.00 0.10 N ATOM 1158 CA PHE A 77 0.546 1.643 -4.269 1.00 0.10 C ATOM 1159 C PHE A 77 0.280 0.404 -5.114 1.00 0.10 C ATOM 1160 O PHE A 77 0.158 0.489 -6.319 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.711 2.516 -4.251 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.437 3.785 -3.476 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.615 3.824 -2.086 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.004 4.928 -4.158 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.361 5.011 -1.381 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.252 6.113 -3.453 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.073 6.155 -2.064 1.00 0.19 C ATOM 0 H PHE A 77 1.444 2.844 -5.787 1.00 0.10 H new ATOM 0 HA PHE A 77 0.806 1.357 -3.250 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.012 2.758 -5.270 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.538 1.971 -3.795 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.947 2.942 -1.558 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.133 4.897 -5.229 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.500 5.043 -0.310 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.587 6.994 -3.981 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.269 7.068 -1.521 1.00 0.19 H new ATOM 1177 N GLN A 78 0.170 -0.747 -4.499 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.103 -1.996 -5.275 1.00 0.09 C ATOM 1179 C GLN A 78 -1.376 -2.622 -4.750 1.00 0.08 C ATOM 1180 O GLN A 78 -1.667 -2.581 -3.571 1.00 0.09 O ATOM 1181 CB GLN A 78 1.058 -2.976 -5.123 1.00 0.09 C ATOM 1182 CG GLN A 78 2.275 -2.427 -5.871 1.00 0.12 C ATOM 1183 CD GLN A 78 3.411 -3.446 -5.825 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.259 -4.516 -5.273 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.554 -3.152 -6.378 1.00 0.29 N ATOM 0 H GLN A 78 0.258 -0.876 -3.491 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.214 -1.755 -6.332 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.296 -3.117 -4.069 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.781 -3.952 -5.520 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.010 -2.210 -6.906 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.597 -1.488 -5.421 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.680 -2.252 -6.842 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.323 -3.822 -6.347 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.151 -3.184 -5.630 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.443 -3.802 -5.223 1.00 0.07 C ATOM 1196 C PHE A 79 -3.365 -5.313 -5.320 1.00 0.07 C ATOM 1197 O PHE A 79 -2.928 -5.864 -6.310 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.532 -3.275 -6.149 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.674 -1.803 -5.880 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.810 -0.895 -6.503 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.639 -1.348 -4.982 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.921 0.471 -6.227 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.745 0.014 -4.703 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.889 0.924 -5.324 1.00 0.12 C ATOM 0 H PHE A 79 -1.943 -3.243 -6.627 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.667 -3.544 -4.188 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.268 -3.451 -7.192 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.474 -3.792 -5.967 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.060 -1.249 -7.195 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.304 -2.051 -4.503 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.260 1.176 -6.710 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.491 0.365 -4.005 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.974 1.979 -5.108 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.812 -5.982 -4.290 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.804 -7.469 -4.276 1.00 0.08 C ATOM 1216 C PHE A 80 -5.198 -7.978 -3.929 1.00 0.09 C ATOM 1217 O PHE A 80 -5.927 -7.366 -3.174 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.808 -7.981 -3.236 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.395 -7.712 -3.690 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.762 -6.500 -3.377 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.704 -8.695 -4.412 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.557 -6.277 -3.791 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.616 -8.470 -4.821 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.246 -7.262 -4.511 1.00 0.15 C ATOM 0 H PHE A 80 -4.188 -5.551 -3.445 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.510 -7.832 -5.261 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.989 -7.493 -2.278 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.950 -9.051 -3.081 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.290 -5.741 -2.819 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.191 -9.628 -4.653 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.045 -5.343 -3.555 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.147 -9.230 -5.376 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.264 -7.087 -4.826 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.572 -9.102 -4.470 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.912 -9.668 -4.167 1.00 0.12 C ATOM 1236 C LYS A 81 -6.801 -11.191 -4.237 1.00 0.11 C ATOM 1237 O LYS A 81 -6.325 -11.738 -5.210 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.915 -9.154 -5.207 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.342 -9.323 -4.687 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.336 -8.900 -5.774 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.735 -8.774 -5.164 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.696 -8.302 -6.203 1.00 1.68 N ATOM 0 H LYS A 81 -5.004 -9.655 -5.112 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.254 -9.369 -3.176 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.720 -8.104 -5.424 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.793 -9.700 -6.142 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.517 -10.361 -4.404 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.488 -8.719 -3.791 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.031 -7.949 -6.211 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.344 -9.633 -6.580 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.057 -9.737 -4.767 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.716 -8.075 -4.328 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.645 -8.218 -5.786 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.392 -7.374 -6.562 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.722 -8.985 -6.987 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.206 -11.872 -3.203 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.110 -13.365 -3.188 1.00 0.13 C ATOM 1258 C LYS A 82 -5.642 -13.774 -3.349 1.00 0.13 C ATOM 1259 O LYS A 82 -5.338 -14.836 -3.854 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.947 -13.988 -4.317 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.430 -13.687 -4.092 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.282 -14.616 -4.960 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.711 -14.080 -5.024 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.711 -12.767 -5.726 1.00 1.22 N ATOM 0 H LYS A 82 -7.603 -11.459 -2.359 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.501 -13.729 -2.238 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.628 -13.590 -5.280 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.786 -15.066 -4.349 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.683 -13.822 -3.040 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.642 -12.647 -4.339 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.861 -14.682 -5.963 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.278 -15.624 -4.546 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.354 -14.786 -5.549 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.115 -13.968 -4.018 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.625 -12.628 -6.202 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.561 -12.004 -5.035 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -10.947 -12.751 -6.432 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.728 -12.947 -2.914 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.285 -13.296 -3.028 1.00 0.16 C ATOM 1280 C GLY A 83 -2.770 -13.054 -4.450 1.00 0.16 C ATOM 1281 O GLY A 83 -1.751 -13.593 -4.835 1.00 0.23 O ATOM 0 H GLY A 83 -4.921 -12.043 -2.484 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.707 -12.700 -2.322 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.138 -14.342 -2.758 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.449 -12.246 -5.236 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.976 -11.976 -6.635 1.00 0.15 C ATOM 1287 C GLN A 84 -2.952 -10.468 -6.896 1.00 0.12 C ATOM 1288 O GLN A 84 -3.796 -9.744 -6.425 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.927 -12.643 -7.625 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.854 -14.160 -7.454 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.736 -14.830 -8.506 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -5.898 -14.306 -8.783 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -4.368 -15.836 -9.077 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.307 -11.764 -4.970 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.970 -12.378 -6.758 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.946 -12.296 -7.458 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.660 -12.367 -8.645 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.823 -14.500 -7.557 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.184 -14.441 -6.454 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.459 -16.243 -8.858 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -4.968 -16.274 -9.776 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.004 -9.996 -7.667 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.933 -8.531 -7.965 1.00 0.12 C ATOM 1304 C LYS A 85 -2.941 -8.180 -9.058 1.00 0.14 C ATOM 1305 O LYS A 85 -2.955 -8.779 -10.115 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.525 -8.189 -8.451 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.404 -6.677 -8.667 1.00 0.20 C ATOM 1308 CD LYS A 85 1.011 -6.326 -9.147 1.00 0.28 C ATOM 1309 CE LYS A 85 1.146 -6.586 -10.652 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.462 -6.077 -11.121 1.00 1.82 N ATOM 0 H LYS A 85 -1.276 -10.561 -8.103 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.164 -7.963 -7.064 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.213 -8.522 -7.721 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.313 -8.717 -9.381 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.138 -6.347 -9.402 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.623 -6.150 -7.738 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.225 -5.279 -8.932 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.744 -6.920 -8.602 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.061 -7.653 -10.858 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.338 -6.092 -11.192 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.558 -6.251 -12.142 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.525 -5.055 -10.937 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.225 -6.568 -10.613 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.786 -7.207 -8.804 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.808 -6.795 -9.814 1.00 0.18 C ATOM 1326 C VAL A 86 -4.635 -5.314 -10.165 1.00 0.17 C ATOM 1327 O VAL A 86 -5.436 -4.750 -10.884 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.207 -7.012 -9.234 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.479 -8.510 -9.084 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.289 -6.342 -7.861 1.00 0.26 C ATOM 0 H VAL A 86 -3.809 -6.678 -7.932 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.679 -7.395 -10.715 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.949 -6.578 -9.904 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.476 -8.659 -8.671 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.415 -8.991 -10.060 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.739 -8.949 -8.414 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.284 -6.493 -7.441 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.545 -6.781 -7.197 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.097 -5.274 -7.965 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.610 -4.666 -9.673 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.442 -3.222 -10.016 1.00 0.17 C ATOM 1342 C GLY A 87 -2.164 -2.644 -9.398 1.00 0.12 C ATOM 1343 O GLY A 87 -1.646 -3.145 -8.420 1.00 0.17 O ATOM 0 H GLY A 87 -2.897 -5.063 -9.062 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.409 -3.106 -11.099 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.306 -2.660 -9.661 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.665 -1.578 -9.975 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.432 -0.927 -9.446 1.00 0.13 C ATOM 1349 C GLU A 88 -0.313 0.467 -10.068 1.00 0.11 C ATOM 1350 O GLU A 88 -0.681 0.684 -11.205 1.00 0.14 O ATOM 1351 CB GLU A 88 0.786 -1.827 -9.803 1.00 0.21 C ATOM 1352 CG GLU A 88 2.068 -1.022 -10.107 1.00 0.58 C ATOM 1353 CD GLU A 88 2.473 -0.184 -8.898 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.712 -0.139 -7.949 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.544 0.400 -8.946 1.00 1.93 O ATOM 0 H GLU A 88 -2.066 -1.129 -10.798 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.469 -0.813 -8.363 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.981 -2.509 -8.975 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.535 -2.440 -10.669 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.877 -1.702 -10.373 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.902 -0.373 -10.967 1.00 0.58 H new ATOM 1362 N PHE A 89 0.232 1.403 -9.338 1.00 0.10 N ATOM 1363 CA PHE A 89 0.417 2.769 -9.907 1.00 0.09 C ATOM 1364 C PHE A 89 1.304 3.593 -8.964 1.00 0.10 C ATOM 1365 O PHE A 89 1.407 3.314 -7.784 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.946 3.452 -10.141 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.522 4.027 -8.863 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -1.004 5.219 -8.345 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.589 3.390 -8.217 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.552 5.778 -7.184 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.134 3.947 -7.052 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.616 5.143 -6.537 1.00 0.14 C ATOM 0 H PHE A 89 0.555 1.282 -8.378 1.00 0.10 H new ATOM 0 HA PHE A 89 0.910 2.696 -10.876 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.831 4.248 -10.876 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.646 2.729 -10.561 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.180 5.709 -8.842 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.991 2.471 -8.616 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.152 6.700 -6.788 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.954 3.454 -6.551 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.038 5.574 -5.641 1.00 0.14 H new ATOM 1382 N SER A 90 1.960 4.596 -9.494 1.00 0.10 N ATOM 1383 CA SER A 90 2.872 5.454 -8.671 1.00 0.10 C ATOM 1384 C SER A 90 2.489 6.919 -8.825 1.00 0.09 C ATOM 1385 O SER A 90 1.796 7.299 -9.749 1.00 0.11 O ATOM 1386 CB SER A 90 4.308 5.291 -9.160 1.00 0.11 C ATOM 1387 OG SER A 90 4.382 5.680 -10.524 1.00 0.12 O ATOM 0 H SER A 90 1.902 4.861 -10.477 1.00 0.10 H new ATOM 0 HA SER A 90 2.785 5.150 -7.628 1.00 0.10 H new ATOM 0 HB2 SER A 90 4.982 5.901 -8.558 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.629 4.255 -9.046 1.00 0.11 H new ATOM 0 HG SER A 90 5.303 5.579 -10.843 1.00 0.12 H new ATOM 1393 N GLY A 91 2.949 7.745 -7.924 1.00 0.09 N ATOM 1394 CA GLY A 91 2.636 9.202 -7.991 1.00 0.09 C ATOM 1395 C GLY A 91 1.933 9.620 -6.704 1.00 0.10 C ATOM 1396 O GLY A 91 1.114 8.899 -6.169 1.00 0.12 O ATOM 0 H GLY A 91 3.535 7.469 -7.136 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.552 9.778 -8.123 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.001 9.411 -8.852 1.00 0.09 H new ATOM 1400 N ALA A 92 2.254 10.771 -6.194 1.00 0.11 N ATOM 1401 CA ALA A 92 1.613 11.223 -4.933 1.00 0.14 C ATOM 1402 C ALA A 92 0.178 11.709 -5.201 1.00 0.13 C ATOM 1403 O ALA A 92 -0.139 12.861 -4.977 1.00 0.17 O ATOM 1404 CB ALA A 92 2.444 12.375 -4.361 1.00 0.18 C ATOM 0 H ALA A 92 2.932 11.419 -6.595 1.00 0.11 H new ATOM 0 HA ALA A 92 1.568 10.393 -4.227 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.992 12.724 -3.433 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.458 12.028 -4.162 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.475 13.194 -5.080 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.702 10.831 -5.638 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.127 11.231 -5.876 1.00 0.14 C ATOM 1412 C ASN A 93 -3.021 10.398 -4.958 1.00 0.13 C ATOM 1413 O ASN A 93 -3.311 9.250 -5.228 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.522 10.982 -7.330 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.930 11.541 -7.554 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.906 10.938 -7.169 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.076 12.690 -8.144 1.00 0.75 N ATOM 0 H ASN A 93 -0.491 9.854 -5.839 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.244 12.294 -5.666 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.812 11.463 -8.003 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.498 9.915 -7.551 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.009 13.078 -8.280 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.257 13.203 -8.471 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.443 10.963 -3.865 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.303 10.212 -2.906 1.00 0.15 C ATOM 1426 C LYS A 94 -5.705 9.960 -3.480 1.00 0.15 C ATOM 1427 O LYS A 94 -6.340 8.977 -3.162 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.416 11.037 -1.624 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.898 12.481 -1.945 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.747 13.481 -1.794 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.303 14.898 -1.839 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.182 15.868 -1.685 1.00 1.06 N ATOM 0 H LYS A 94 -3.228 11.922 -3.590 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.850 9.240 -2.709 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.114 10.559 -0.937 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.449 11.073 -1.122 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.291 12.521 -2.961 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.714 12.755 -1.277 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.225 13.313 -0.852 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.019 13.338 -2.592 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.821 15.069 -2.783 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -5.035 15.040 -1.044 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.556 16.838 -1.715 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.707 15.708 -0.774 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.500 15.736 -2.459 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.193 10.828 -4.317 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.549 10.627 -4.896 1.00 0.15 C ATOM 1448 C GLU A 95 -7.545 9.398 -5.809 1.00 0.15 C ATOM 1449 O GLU A 95 -8.542 8.727 -5.979 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.928 11.869 -5.705 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.024 13.075 -4.770 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.218 12.903 -3.833 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.177 12.265 -4.238 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.155 13.407 -2.724 1.00 1.55 O ATOM 0 H GLU A 95 -5.710 11.671 -4.627 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.273 10.470 -4.096 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.183 12.054 -6.479 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.880 11.710 -6.211 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.106 13.173 -4.191 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.134 13.991 -5.351 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.423 9.120 -6.405 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.309 7.956 -7.327 1.00 0.15 C ATOM 1463 C LYS A 96 -6.590 6.676 -6.549 1.00 0.14 C ATOM 1464 O LYS A 96 -7.150 5.729 -7.063 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.888 7.935 -7.879 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.766 6.941 -9.036 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.463 7.223 -9.795 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.315 6.230 -10.950 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.371 6.494 -11.966 1.00 1.45 N ATOM 0 H LYS A 96 -5.564 9.659 -6.291 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.025 8.033 -8.146 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.612 8.932 -8.221 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.190 7.665 -7.087 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.768 5.919 -8.657 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.621 7.035 -9.706 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.467 8.243 -10.178 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.612 7.140 -9.119 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.328 6.325 -11.402 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.399 5.208 -10.579 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.112 6.035 -12.863 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -5.278 6.112 -11.631 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.461 7.519 -12.115 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.208 6.650 -5.308 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.455 5.442 -4.482 1.00 0.13 C ATOM 1485 C LEU A 97 -7.953 5.181 -4.435 1.00 0.14 C ATOM 1486 O LEU A 97 -8.406 4.057 -4.483 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.976 5.699 -3.045 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.456 5.564 -2.939 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.023 6.007 -1.535 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.029 4.097 -3.182 1.00 0.19 C ATOM 0 H LEU A 97 -5.734 7.415 -4.828 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.924 4.593 -4.912 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.278 6.698 -2.731 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.455 4.993 -2.367 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.979 6.190 -3.693 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.941 5.917 -1.443 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.316 7.045 -1.374 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.505 5.375 -0.789 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.945 4.016 -3.104 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.496 3.454 -2.436 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.345 3.786 -4.178 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.726 6.216 -4.322 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.201 6.017 -4.234 1.00 0.15 C ATOM 1504 C GLU A 98 -10.739 5.377 -5.508 1.00 0.16 C ATOM 1505 O GLU A 98 -11.558 4.485 -5.460 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.892 7.368 -4.017 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.410 7.170 -3.884 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.086 8.534 -3.755 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.372 9.520 -3.668 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.305 8.569 -3.747 1.00 2.00 O ATOM 0 H GLU A 98 -8.410 7.185 -4.286 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.408 5.354 -3.394 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.500 7.846 -3.119 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.676 8.034 -4.853 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.797 6.640 -4.754 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.634 6.556 -3.011 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.305 5.832 -6.646 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.834 5.258 -7.915 1.00 0.17 C ATOM 1519 C ALA A 99 -10.376 3.815 -8.097 1.00 0.16 C ATOM 1520 O ALA A 99 -11.146 2.968 -8.491 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.355 6.103 -9.095 1.00 0.19 C ATOM 0 H ALA A 99 -9.611 6.572 -6.755 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.923 5.267 -7.870 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.742 5.683 -10.024 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.716 7.125 -8.981 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.265 6.104 -9.123 1.00 0.19 H new ATOM 1527 N THR A 100 -9.136 3.518 -7.839 1.00 0.16 N ATOM 1528 CA THR A 100 -8.677 2.119 -8.033 1.00 0.16 C ATOM 1529 C THR A 100 -9.425 1.228 -7.037 1.00 0.15 C ATOM 1530 O THR A 100 -9.860 0.140 -7.359 1.00 0.15 O ATOM 1531 CB THR A 100 -7.166 2.038 -7.801 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.527 3.060 -8.552 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.647 0.684 -8.286 1.00 0.20 C ATOM 0 H THR A 100 -8.429 4.174 -7.507 1.00 0.16 H new ATOM 0 HA THR A 100 -8.884 1.784 -9.049 1.00 0.16 H new ATOM 0 HB THR A 100 -6.955 2.158 -6.738 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.554 3.901 -8.049 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.571 0.626 -8.121 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.142 -0.115 -7.734 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.857 0.574 -9.350 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.606 1.707 -5.833 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.358 0.915 -4.812 1.00 0.13 C ATOM 1543 C ILE A 101 -11.795 0.788 -5.293 1.00 0.14 C ATOM 1544 O ILE A 101 -12.379 -0.274 -5.303 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.340 1.670 -3.477 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -8.921 1.643 -2.900 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.301 0.998 -2.487 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.791 2.693 -1.794 1.00 0.16 C ATOM 0 H ILE A 101 -9.265 2.613 -5.512 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.907 -0.068 -4.677 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.654 2.701 -3.642 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.699 0.653 -2.502 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.194 1.840 -3.688 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.284 1.538 -1.540 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.312 1.012 -2.895 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -10.990 -0.034 -2.322 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.780 2.670 -1.387 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -8.994 3.682 -2.205 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.506 2.476 -1.001 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.351 1.886 -5.710 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.742 1.897 -6.213 1.00 0.20 C ATOM 1562 C ASN A 102 -13.805 0.966 -7.420 1.00 0.19 C ATOM 1563 O ASN A 102 -14.787 0.296 -7.665 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.081 3.335 -6.647 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.571 3.475 -6.949 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.388 2.538 -6.581 1.00 0.95 O flip ATOM 1567 ND2 ASN A 102 -15.998 4.463 -7.511 1.00 0.55 N flip ATOM 0 H ASN A 102 -11.887 2.794 -5.722 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.448 1.568 -5.451 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -13.798 4.033 -5.859 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.500 3.599 -7.531 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -15.357 5.202 -7.801 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.998 4.554 -7.693 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.750 0.945 -8.180 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.696 0.090 -9.393 1.00 0.18 C ATOM 1576 C GLU A 103 -12.622 -1.392 -8.993 1.00 0.16 C ATOM 1577 O GLU A 103 -13.217 -2.244 -9.624 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.443 0.471 -10.189 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.466 -0.185 -11.574 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.126 -1.669 -11.458 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.028 -1.970 -11.025 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -11.968 -2.479 -11.811 1.00 2.21 O ATOM 0 H GLU A 103 -11.908 1.494 -8.008 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.592 0.241 -9.995 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.388 1.554 -10.294 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.551 0.157 -9.646 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.450 -0.064 -12.026 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.751 0.310 -12.231 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.877 -1.711 -7.958 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.743 -3.143 -7.528 1.00 0.14 C ATOM 1591 C LEU A 104 -12.689 -3.469 -6.358 1.00 0.13 C ATOM 1592 O LEU A 104 -12.770 -4.602 -5.929 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.298 -3.401 -7.081 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.324 -3.193 -8.251 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.886 -3.227 -7.718 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.510 -4.297 -9.309 1.00 0.25 C ATOM 0 H LEU A 104 -11.356 -1.041 -7.392 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.006 -3.778 -8.374 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.040 -2.730 -6.262 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.206 -4.418 -6.700 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.526 -2.228 -8.717 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.189 -3.080 -8.543 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.751 -2.433 -6.983 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.695 -4.192 -7.249 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.813 -4.135 -10.131 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.318 -5.270 -8.857 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.531 -4.268 -9.689 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.401 -2.505 -5.828 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.315 -2.823 -4.685 1.00 0.15 C ATOM 1610 C VAL A 105 -15.421 -3.765 -5.173 1.00 0.16 C ATOM 1611 O VAL A 105 -15.736 -3.714 -6.352 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.953 -1.541 -4.121 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.017 -0.997 -5.090 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.606 -1.858 -2.768 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.933 -4.519 -4.363 1.00 1.08 O ATOM 0 H VAL A 105 -13.391 -1.530 -6.129 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.734 -3.299 -3.895 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.178 -0.785 -3.994 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.458 -0.090 -4.675 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.553 -0.768 -6.049 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.796 -1.746 -5.233 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.060 -0.954 -2.362 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.373 -2.620 -2.904 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.849 -2.225 -2.076 1.00 0.19 H new ATOM 1683 N LYS B 63 7.089 14.966 -6.078 1.00 0.19 N ATOM 1684 CA LYS B 63 5.916 14.042 -5.940 1.00 0.14 C ATOM 1685 C LYS B 63 6.413 12.592 -5.828 1.00 0.12 C ATOM 1686 O LYS B 63 5.673 11.705 -5.438 1.00 0.12 O ATOM 1687 CB LYS B 63 5.016 14.155 -7.182 1.00 0.17 C ATOM 1688 CG LYS B 63 4.492 15.592 -7.356 1.00 0.20 C ATOM 1689 CD LYS B 63 3.756 16.059 -6.094 1.00 0.40 C ATOM 1690 CE LYS B 63 2.830 17.233 -6.431 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.634 18.375 -6.952 1.00 1.31 N ATOM 0 HA LYS B 63 5.354 14.316 -5.047 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.576 13.859 -8.069 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.176 13.467 -7.090 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.324 16.264 -7.567 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.820 15.638 -8.213 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.176 15.236 -5.676 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.476 16.360 -5.333 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.093 16.926 -7.173 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.278 17.540 -5.542 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.033 19.221 -7.019 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.427 18.564 -6.306 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.004 18.138 -7.894 1.00 1.31 H new ATOM 1705 N ILE B 64 7.650 12.349 -6.204 1.00 0.11 N ATOM 1706 CA ILE B 64 8.238 10.960 -6.148 1.00 0.11 C ATOM 1707 C ILE B 64 9.605 11.002 -5.436 1.00 0.10 C ATOM 1708 O ILE B 64 10.372 11.921 -5.636 1.00 0.11 O ATOM 1709 CB ILE B 64 8.463 10.455 -7.580 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.117 10.258 -8.301 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.236 9.131 -7.557 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.224 9.255 -7.548 1.00 0.15 C ATOM 0 H ILE B 64 8.289 13.063 -6.553 1.00 0.11 H new ATOM 0 HA ILE B 64 7.555 10.304 -5.609 1.00 0.11 H new ATOM 0 HB ILE B 64 9.045 11.201 -8.120 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.603 11.215 -8.385 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.294 9.901 -9.316 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.390 8.782 -8.578 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.202 9.282 -7.075 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.666 8.387 -7.001 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.281 9.136 -8.081 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.730 8.292 -7.487 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.028 9.626 -6.542 1.00 0.15 H new ATOM 1724 N CYS B 65 9.941 10.003 -4.638 1.00 0.09 N ATOM 1725 CA CYS B 65 11.291 9.989 -3.972 1.00 0.10 C ATOM 1726 C CYS B 65 12.207 9.076 -4.807 1.00 0.10 C ATOM 1727 O CYS B 65 11.824 7.985 -5.186 1.00 0.11 O ATOM 1728 CB CYS B 65 11.208 9.450 -2.531 1.00 0.10 C ATOM 1729 SG CYS B 65 9.864 10.256 -1.615 1.00 0.19 S ATOM 0 H CYS B 65 9.343 9.205 -4.422 1.00 0.09 H new ATOM 0 HA CYS B 65 11.679 11.006 -3.918 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.045 8.372 -2.550 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.155 9.620 -2.020 1.00 0.10 H new ATOM 1734 N SER B 66 13.396 9.518 -5.127 1.00 0.12 N ATOM 1735 CA SER B 66 14.309 8.680 -5.974 1.00 0.14 C ATOM 1736 C SER B 66 15.026 7.615 -5.133 1.00 0.14 C ATOM 1737 O SER B 66 15.477 7.874 -4.036 1.00 0.15 O ATOM 1738 CB SER B 66 15.357 9.581 -6.626 1.00 0.18 C ATOM 1739 OG SER B 66 14.704 10.548 -7.439 1.00 0.20 O ATOM 0 H SER B 66 13.777 10.420 -4.841 1.00 0.12 H new ATOM 0 HA SER B 66 13.707 8.178 -6.732 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.955 10.076 -5.861 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.042 8.985 -7.229 1.00 0.18 H new ATOM 0 HG SER B 66 15.373 11.129 -7.858 1.00 0.20 H new ATOM 1745 N TRP B 67 15.156 6.421 -5.658 1.00 0.15 N ATOM 1746 CA TRP B 67 15.864 5.340 -4.910 1.00 0.16 C ATOM 1747 C TRP B 67 17.370 5.564 -5.000 1.00 0.19 C ATOM 1748 O TRP B 67 18.136 5.046 -4.210 1.00 0.21 O ATOM 1749 CB TRP B 67 15.511 3.982 -5.518 1.00 0.16 C ATOM 1750 CG TRP B 67 14.095 3.667 -5.183 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.038 4.425 -5.526 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.567 2.540 -4.435 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.892 3.835 -5.042 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.168 2.671 -4.358 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.161 1.426 -3.822 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.387 1.737 -3.696 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.378 0.480 -3.155 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.993 0.635 -3.090 1.00 0.16 C ATOM 0 H TRP B 67 14.801 6.150 -6.575 1.00 0.15 H new ATOM 0 HA TRP B 67 15.556 5.359 -3.865 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.648 4.004 -6.599 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.173 3.209 -5.128 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.081 5.346 -6.089 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.954 4.213 -5.174 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.233 1.299 -3.866 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.315 1.861 -3.649 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.847 -0.374 -2.688 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.391 -0.096 -2.572 1.00 0.16 H new ATOM 1769 N ASN B 68 17.802 6.352 -5.945 1.00 0.23 N ATOM 1770 CA ASN B 68 19.262 6.623 -6.077 1.00 0.27 C ATOM 1771 C ASN B 68 19.774 7.127 -4.733 1.00 0.26 C ATOM 1772 O ASN B 68 20.960 7.212 -4.489 1.00 0.30 O ATOM 1773 CB ASN B 68 19.476 7.711 -7.129 1.00 0.34 C ATOM 1774 CG ASN B 68 19.141 7.152 -8.514 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.526 6.004 -8.607 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.437 7.765 -9.519 1.00 0.40 N flip ATOM 0 H ASN B 68 17.209 6.820 -6.631 1.00 0.23 H new ATOM 0 HA ASN B 68 19.791 5.718 -6.374 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.845 8.573 -6.910 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.509 8.058 -7.105 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.917 8.662 -9.446 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.205 7.383 -10.436 1.00 0.40 H new