USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= -2.97 K(o=-6.3,f=-8.2!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 164:sc= -3.37 (180deg=-2.19!) USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= -0.721 (180deg=-3.88!) USER MOD Single : A 4 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.68) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= -0.627 (180deg=-1.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.06! K(o=-1.1!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 144:sc= 0.344 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 127:sc= -0.148 (180deg=-0.762) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.853 (180deg=-2.26!) USER MOD Single : A 43 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.043) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 117:sc= -0.0243 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc=-0.00313 (180deg=-0.208) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.9!) USER MOD Single : A 67 SER OG : rot 99:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc=-0.00326 (180deg=-0.241) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 76 THR OG1 : rot -38:sc= -1.12! USER MOD Single : A 78 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= 1.09 (180deg=-0.761) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 116:sc= 1.22 USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= 1.8 (180deg=-0.358) USER MOD Single : A 100 THR OG1 : rot 74:sc= 0.181 USER MOD Single : A 102 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.5!) USER MOD Single : B 5 TYR OH : rot 4:sc= -3.06 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.120 -1.898 9.042 1.00 0.24 N ATOM 21 CA VAL A 2 -2.843 -1.764 8.275 1.00 0.19 C ATOM 22 C VAL A 2 -2.002 -3.029 8.484 1.00 0.22 C ATOM 23 O VAL A 2 -2.255 -3.810 9.379 1.00 0.28 O ATOM 24 CB VAL A 2 -2.071 -0.543 8.787 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.826 -0.326 7.926 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.961 0.703 8.710 1.00 0.30 C ATOM 0 HA VAL A 2 -3.057 -1.637 7.214 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.776 -0.716 9.822 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.278 0.543 8.291 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.187 -1.208 7.981 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.124 -0.158 6.891 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.408 1.568 9.075 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.260 0.873 7.676 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.849 0.554 9.324 1.00 0.30 H new ATOM 36 N LYS A 3 -1.003 -3.242 7.665 1.00 0.18 N ATOM 37 CA LYS A 3 -0.151 -4.460 7.821 1.00 0.22 C ATOM 38 C LYS A 3 1.238 -4.189 7.238 1.00 0.16 C ATOM 39 O LYS A 3 1.379 -3.828 6.087 1.00 0.13 O ATOM 40 CB LYS A 3 -0.794 -5.639 7.083 1.00 0.26 C ATOM 41 CG LYS A 3 -0.158 -6.950 7.550 1.00 0.34 C ATOM 42 CD LYS A 3 -0.909 -8.131 6.930 1.00 0.81 C ATOM 43 CE LYS A 3 -0.134 -9.425 7.191 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.912 -10.583 6.665 1.00 1.97 N ATOM 0 H LYS A 3 -0.741 -2.626 6.896 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.061 -4.704 8.880 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.867 -5.657 7.272 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.662 -5.523 6.007 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.892 -6.981 7.260 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.190 -7.015 8.638 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.910 -8.202 7.355 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.029 -7.977 5.858 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.843 -9.380 6.709 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.043 -9.547 8.260 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.997 -11.309 7.405 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.861 -10.264 6.383 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.422 -10.984 5.840 1.00 1.97 H new ATOM 58 N GLN A 4 2.265 -4.357 8.029 1.00 0.18 N ATOM 59 CA GLN A 4 3.650 -4.102 7.532 1.00 0.15 C ATOM 60 C GLN A 4 4.245 -5.388 6.949 1.00 0.13 C ATOM 61 O GLN A 4 4.170 -6.449 7.536 1.00 0.14 O ATOM 62 CB GLN A 4 4.514 -3.608 8.704 1.00 0.20 C ATOM 63 CG GLN A 4 6.013 -3.721 8.364 1.00 0.21 C ATOM 64 CD GLN A 4 6.823 -2.803 9.284 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.010 -3.100 10.447 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.313 -1.691 8.808 1.00 0.98 N ATOM 0 H GLN A 4 2.204 -4.661 9.001 1.00 0.18 H new ATOM 0 HA GLN A 4 3.625 -3.346 6.747 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.266 -2.572 8.933 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.294 -4.194 9.596 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.345 -4.753 8.480 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.181 -3.447 7.322 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.156 -1.441 7.832 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.853 -1.072 9.412 1.00 0.98 H new ATOM 75 N ILE A 5 4.858 -5.282 5.799 1.00 0.10 N ATOM 76 CA ILE A 5 5.498 -6.464 5.150 1.00 0.10 C ATOM 77 C ILE A 5 7.014 -6.305 5.284 1.00 0.10 C ATOM 78 O ILE A 5 7.596 -5.398 4.724 1.00 0.11 O ATOM 79 CB ILE A 5 5.133 -6.494 3.660 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.641 -6.147 3.455 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.456 -7.868 3.068 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.720 -7.078 4.259 1.00 0.19 C ATOM 0 H ILE A 5 4.943 -4.412 5.274 1.00 0.10 H new ATOM 0 HA ILE A 5 5.157 -7.386 5.622 1.00 0.10 H new ATOM 0 HB ILE A 5 5.727 -5.742 3.140 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.464 -5.114 3.755 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.394 -6.218 2.396 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.193 -7.879 2.010 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.521 -8.071 3.180 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.884 -8.634 3.592 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.680 -6.799 4.086 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.877 -8.109 3.941 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.948 -6.987 5.321 1.00 0.19 H new ATOM 94 N GLU A 6 7.658 -7.165 6.025 1.00 0.11 N ATOM 95 CA GLU A 6 9.138 -7.045 6.200 1.00 0.14 C ATOM 96 C GLU A 6 9.849 -8.052 5.292 1.00 0.14 C ATOM 97 O GLU A 6 11.043 -7.971 5.081 1.00 0.17 O ATOM 98 CB GLU A 6 9.498 -7.337 7.658 1.00 0.18 C ATOM 99 CG GLU A 6 8.606 -6.519 8.594 1.00 0.31 C ATOM 100 CD GLU A 6 8.916 -5.031 8.422 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.471 -4.463 7.439 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.593 -4.485 9.278 1.00 1.96 O ATOM 0 H GLU A 6 7.225 -7.946 6.518 1.00 0.11 H new ATOM 0 HA GLU A 6 9.453 -6.036 5.936 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.377 -8.400 7.865 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.545 -7.095 7.838 1.00 0.18 H new ATOM 0 HG2 GLU A 6 7.556 -6.711 8.373 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.774 -6.819 9.628 1.00 0.31 H new ATOM 109 N SER A 7 9.130 -9.001 4.751 1.00 0.13 N ATOM 110 CA SER A 7 9.777 -10.009 3.857 1.00 0.15 C ATOM 111 C SER A 7 8.749 -10.566 2.871 1.00 0.14 C ATOM 112 O SER A 7 7.557 -10.504 3.094 1.00 0.12 O ATOM 113 CB SER A 7 10.345 -11.147 4.704 1.00 0.20 C ATOM 114 OG SER A 7 9.393 -11.517 5.694 1.00 0.23 O ATOM 0 H SER A 7 8.127 -9.122 4.888 1.00 0.13 H new ATOM 0 HA SER A 7 10.583 -9.532 3.299 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.581 -12.003 4.072 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.276 -10.834 5.177 1.00 0.20 H new ATOM 0 HG SER A 7 9.754 -12.248 6.238 1.00 0.23 H new ATOM 120 N LYS A 8 9.212 -11.111 1.779 1.00 0.15 N ATOM 121 CA LYS A 8 8.279 -11.678 0.766 1.00 0.14 C ATOM 122 C LYS A 8 7.310 -12.655 1.446 1.00 0.14 C ATOM 123 O LYS A 8 6.250 -12.951 0.936 1.00 0.13 O ATOM 124 CB LYS A 8 9.092 -12.418 -0.302 1.00 0.17 C ATOM 125 CG LYS A 8 8.261 -12.569 -1.579 1.00 0.21 C ATOM 126 CD LYS A 8 9.048 -13.385 -2.612 1.00 0.22 C ATOM 127 CE LYS A 8 8.456 -13.165 -4.006 1.00 1.06 C ATOM 128 NZ LYS A 8 8.886 -11.835 -4.522 1.00 1.90 N ATOM 0 H LYS A 8 10.202 -11.188 1.545 1.00 0.15 H new ATOM 0 HA LYS A 8 7.707 -10.874 0.302 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.009 -11.870 -0.518 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.387 -13.400 0.069 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.316 -13.063 -1.354 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.018 -11.587 -1.985 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.097 -13.088 -2.601 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.014 -14.444 -2.355 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.786 -13.954 -4.682 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.368 -13.216 -3.963 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.070 -11.346 -4.943 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.266 -11.265 -3.739 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.623 -11.965 -5.245 1.00 1.90 H new ATOM 142 N THR A 9 7.673 -13.163 2.589 1.00 0.16 N ATOM 143 CA THR A 9 6.779 -14.124 3.294 1.00 0.18 C ATOM 144 C THR A 9 5.451 -13.448 3.644 1.00 0.16 C ATOM 145 O THR A 9 4.391 -13.916 3.286 1.00 0.17 O ATOM 146 CB THR A 9 7.458 -14.598 4.573 1.00 0.21 C ATOM 147 OG1 THR A 9 8.780 -15.025 4.278 1.00 0.24 O ATOM 148 CG2 THR A 9 6.664 -15.758 5.178 1.00 0.25 C ATOM 0 H THR A 9 8.550 -12.955 3.067 1.00 0.16 H new ATOM 0 HA THR A 9 6.584 -14.975 2.641 1.00 0.18 H new ATOM 0 HB THR A 9 7.495 -13.777 5.289 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.217 -15.328 5.101 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.152 -16.095 6.093 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.652 -15.425 5.408 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.622 -16.581 4.465 1.00 0.25 H new ATOM 156 N ALA A 10 5.502 -12.357 4.352 1.00 0.16 N ATOM 157 CA ALA A 10 4.246 -11.653 4.743 1.00 0.17 C ATOM 158 C ALA A 10 3.570 -11.047 3.507 1.00 0.15 C ATOM 159 O ALA A 10 2.402 -10.716 3.532 1.00 0.17 O ATOM 160 CB ALA A 10 4.584 -10.546 5.748 1.00 0.20 C ATOM 0 H ALA A 10 6.363 -11.918 4.680 1.00 0.16 H new ATOM 0 HA ALA A 10 3.559 -12.366 5.199 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.671 -10.027 6.038 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.048 -10.985 6.631 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.274 -9.837 5.290 1.00 0.20 H new ATOM 166 N PHE A 11 4.288 -10.894 2.430 1.00 0.12 N ATOM 167 CA PHE A 11 3.675 -10.302 1.205 1.00 0.11 C ATOM 168 C PHE A 11 2.515 -11.167 0.715 1.00 0.13 C ATOM 169 O PHE A 11 1.392 -10.718 0.640 1.00 0.16 O ATOM 170 CB PHE A 11 4.728 -10.195 0.098 1.00 0.10 C ATOM 171 CG PHE A 11 4.088 -9.678 -1.172 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.651 -8.342 -1.246 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.936 -10.529 -2.285 1.00 0.14 C ATOM 174 CE1 PHE A 11 3.063 -7.857 -2.430 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.346 -10.045 -3.467 1.00 0.18 C ATOM 176 CZ PHE A 11 2.910 -8.709 -3.541 1.00 0.21 C ATOM 0 H PHE A 11 5.271 -11.152 2.343 1.00 0.12 H new ATOM 0 HA PHE A 11 3.298 -9.310 1.452 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.530 -9.526 0.410 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.179 -11.171 -0.083 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.767 -7.688 -0.394 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.273 -11.554 -2.231 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.729 -6.831 -2.486 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.228 -10.699 -4.318 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.458 -8.337 -4.449 1.00 0.21 H new ATOM 186 N GLN A 12 2.772 -12.397 0.370 1.00 0.15 N ATOM 187 CA GLN A 12 1.673 -13.269 -0.129 1.00 0.19 C ATOM 188 C GLN A 12 0.613 -13.422 0.949 1.00 0.17 C ATOM 189 O GLN A 12 -0.572 -13.347 0.690 1.00 0.16 O ATOM 190 CB GLN A 12 2.237 -14.643 -0.499 1.00 0.24 C ATOM 191 CG GLN A 12 3.161 -14.502 -1.710 1.00 1.21 C ATOM 192 CD GLN A 12 3.512 -15.889 -2.249 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.050 -16.016 -3.330 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.229 -16.944 -1.534 1.00 2.47 N ATOM 0 H GLN A 12 3.692 -12.835 0.412 1.00 0.15 H new ATOM 0 HA GLN A 12 1.223 -12.815 -1.012 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.786 -15.063 0.344 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.424 -15.333 -0.726 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.673 -13.912 -2.486 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.069 -13.970 -1.428 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.777 -16.838 -0.626 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.460 -17.874 -1.884 1.00 2.47 H new ATOM 203 N GLU A 13 1.028 -13.646 2.153 1.00 0.19 N ATOM 204 CA GLU A 13 0.057 -13.817 3.254 1.00 0.20 C ATOM 205 C GLU A 13 -0.791 -12.552 3.419 1.00 0.18 C ATOM 206 O GLU A 13 -1.947 -12.623 3.783 1.00 0.19 O ATOM 207 CB GLU A 13 0.832 -14.114 4.535 1.00 0.25 C ATOM 208 CG GLU A 13 1.267 -15.582 4.545 1.00 0.30 C ATOM 209 CD GLU A 13 2.251 -15.851 3.407 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.812 -15.910 2.271 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.426 -16.011 3.691 1.00 2.10 O ATOM 0 H GLU A 13 2.008 -13.719 2.425 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.619 -14.643 3.031 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.705 -13.465 4.602 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.210 -13.903 5.405 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.731 -15.824 5.501 1.00 0.30 H new ATOM 0 HG3 GLU A 13 0.395 -16.228 4.441 1.00 0.30 H new ATOM 218 N ALA A 14 -0.242 -11.398 3.156 1.00 0.18 N ATOM 219 CA ALA A 14 -1.052 -10.155 3.304 1.00 0.18 C ATOM 220 C ALA A 14 -2.237 -10.210 2.335 1.00 0.18 C ATOM 221 O ALA A 14 -3.367 -9.949 2.698 1.00 0.19 O ATOM 222 CB ALA A 14 -0.186 -8.937 2.985 1.00 0.20 C ATOM 0 H ALA A 14 0.721 -11.262 2.849 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.418 -10.076 4.328 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.780 -8.030 3.094 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.659 -8.902 3.672 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.181 -9.010 1.961 1.00 0.20 H new ATOM 228 N LEU A 15 -1.979 -10.556 1.103 1.00 0.17 N ATOM 229 CA LEU A 15 -3.074 -10.644 0.091 1.00 0.18 C ATOM 230 C LEU A 15 -4.053 -11.749 0.497 1.00 0.18 C ATOM 231 O LEU A 15 -5.255 -11.584 0.423 1.00 0.18 O ATOM 232 CB LEU A 15 -2.470 -10.966 -1.282 1.00 0.19 C ATOM 233 CG LEU A 15 -1.177 -10.168 -1.480 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.664 -10.375 -2.907 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.453 -8.680 -1.252 1.00 0.62 C ATOM 0 H LEU A 15 -1.049 -10.784 0.750 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.605 -9.693 0.039 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.264 -12.034 -1.358 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.183 -10.722 -2.070 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.427 -10.512 -0.768 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.256 -9.808 -3.049 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.466 -11.434 -3.073 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.416 -10.031 -3.617 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.533 -8.113 -1.393 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.204 -8.336 -1.964 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.820 -8.529 -0.237 1.00 0.62 H new ATOM 247 N ASP A 16 -3.548 -12.872 0.921 1.00 0.19 N ATOM 248 CA ASP A 16 -4.446 -13.988 1.330 1.00 0.21 C ATOM 249 C ASP A 16 -5.260 -13.575 2.558 1.00 0.20 C ATOM 250 O ASP A 16 -6.432 -13.880 2.669 1.00 0.20 O ATOM 251 CB ASP A 16 -3.603 -15.220 1.667 1.00 0.24 C ATOM 252 CG ASP A 16 -4.521 -16.373 2.077 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.333 -16.776 1.261 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.395 -16.834 3.200 1.00 1.09 O ATOM 0 H ASP A 16 -2.550 -13.067 1.003 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.126 -14.222 0.511 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.002 -15.509 0.805 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.910 -14.989 2.476 1.00 0.24 H new ATOM 259 N ALA A 17 -4.651 -12.888 3.486 1.00 0.22 N ATOM 260 CA ALA A 17 -5.391 -12.464 4.708 1.00 0.24 C ATOM 261 C ALA A 17 -6.237 -11.226 4.400 1.00 0.21 C ATOM 262 O ALA A 17 -7.145 -10.887 5.134 1.00 0.22 O ATOM 263 CB ALA A 17 -4.391 -12.135 5.818 1.00 0.30 C ATOM 0 H ALA A 17 -3.673 -12.602 3.450 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.045 -13.273 5.032 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.930 -11.825 6.713 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.793 -13.018 6.043 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.736 -11.327 5.490 1.00 0.30 H new ATOM 269 N ALA A 18 -5.949 -10.546 3.325 1.00 0.21 N ATOM 270 CA ALA A 18 -6.739 -9.330 2.976 1.00 0.22 C ATOM 271 C ALA A 18 -8.158 -9.735 2.577 1.00 0.21 C ATOM 272 O ALA A 18 -9.015 -8.898 2.365 1.00 0.24 O ATOM 273 CB ALA A 18 -6.067 -8.607 1.807 1.00 0.23 C ATOM 0 H ALA A 18 -5.201 -10.779 2.672 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.783 -8.667 3.840 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.643 -7.718 1.550 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.056 -8.315 2.092 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.023 -9.272 0.945 1.00 0.23 H new ATOM 279 N GLY A 19 -8.418 -11.008 2.470 1.00 0.22 N ATOM 280 CA GLY A 19 -9.784 -11.457 2.083 1.00 0.24 C ATOM 281 C GLY A 19 -10.045 -11.086 0.622 1.00 0.20 C ATOM 282 O GLY A 19 -9.284 -11.438 -0.260 1.00 0.28 O ATOM 0 H GLY A 19 -7.744 -11.756 2.634 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.877 -12.535 2.218 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.529 -10.990 2.727 1.00 0.24 H new ATOM 286 N ASP A 20 -11.117 -10.377 0.361 1.00 0.13 N ATOM 287 CA ASP A 20 -11.449 -9.971 -1.044 1.00 0.18 C ATOM 288 C ASP A 20 -11.598 -8.448 -1.118 1.00 0.15 C ATOM 289 O ASP A 20 -11.907 -7.900 -2.157 1.00 0.22 O ATOM 290 CB ASP A 20 -12.766 -10.629 -1.462 1.00 0.26 C ATOM 291 CG ASP A 20 -12.747 -12.107 -1.071 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.679 -12.696 -1.111 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.800 -12.626 -0.739 1.00 2.21 O ATOM 0 H ASP A 20 -11.782 -10.059 1.066 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.649 -10.290 -1.712 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.605 -10.126 -0.981 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.909 -10.529 -2.538 1.00 0.26 H new ATOM 298 N LYS A 21 -11.374 -7.755 -0.031 1.00 0.12 N ATOM 299 CA LYS A 21 -11.498 -6.271 -0.066 1.00 0.19 C ATOM 300 C LYS A 21 -10.358 -5.704 -0.904 1.00 0.15 C ATOM 301 O LYS A 21 -9.411 -6.394 -1.225 1.00 0.15 O ATOM 302 CB LYS A 21 -11.418 -5.722 1.360 1.00 0.27 C ATOM 303 CG LYS A 21 -12.773 -5.899 2.047 1.00 0.29 C ATOM 304 CD LYS A 21 -12.610 -5.693 3.551 1.00 0.30 C ATOM 305 CE LYS A 21 -13.984 -5.474 4.180 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.856 -5.457 5.664 1.00 1.90 N ATOM 0 H LYS A 21 -11.113 -8.151 0.872 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.454 -5.984 -0.505 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.642 -6.245 1.920 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.142 -4.668 1.341 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.492 -5.184 1.647 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.168 -6.895 1.846 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.126 -6.561 3.999 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.967 -4.834 3.745 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.410 -4.533 3.831 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.667 -6.266 3.873 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.792 -5.308 6.092 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.468 -6.365 5.989 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.219 -4.686 5.949 1.00 1.90 H new ATOM 320 N LEU A 22 -10.434 -4.456 -1.268 1.00 0.13 N ATOM 321 CA LEU A 22 -9.347 -3.871 -2.088 1.00 0.11 C ATOM 322 C LEU A 22 -8.050 -3.910 -1.264 1.00 0.10 C ATOM 323 O LEU A 22 -8.078 -4.097 -0.064 1.00 0.11 O ATOM 324 CB LEU A 22 -9.724 -2.419 -2.464 1.00 0.12 C ATOM 325 CG LEU A 22 -9.432 -2.111 -3.952 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.778 -0.623 -4.246 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.949 -2.392 -4.281 1.00 0.11 C ATOM 0 H LEU A 22 -11.198 -3.822 -1.034 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.202 -4.436 -3.009 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.782 -2.255 -2.261 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.167 -1.725 -1.834 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.047 -2.756 -4.579 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.574 -0.402 -5.294 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.833 -0.447 -4.037 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.170 0.024 -3.613 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.761 -2.170 -5.331 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.313 -1.764 -3.658 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.725 -3.441 -4.086 1.00 0.11 H new ATOM 339 N VAL A 23 -6.917 -3.738 -1.891 1.00 0.08 N ATOM 340 CA VAL A 23 -5.628 -3.772 -1.138 1.00 0.09 C ATOM 341 C VAL A 23 -4.641 -2.793 -1.771 1.00 0.08 C ATOM 342 O VAL A 23 -4.103 -3.042 -2.831 1.00 0.09 O ATOM 343 CB VAL A 23 -5.041 -5.184 -1.195 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.920 -5.312 -0.164 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.137 -6.206 -0.887 1.00 0.10 C ATOM 0 H VAL A 23 -6.828 -3.575 -2.894 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.809 -3.491 -0.101 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.641 -5.371 -2.192 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.502 -6.318 -0.204 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.138 -4.585 -0.384 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.319 -5.125 0.833 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.719 -7.212 -0.928 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.538 -6.020 0.109 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.936 -6.115 -1.623 1.00 0.10 H new ATOM 355 N VAL A 24 -4.389 -1.683 -1.122 1.00 0.08 N ATOM 356 CA VAL A 24 -3.425 -0.683 -1.672 1.00 0.08 C ATOM 357 C VAL A 24 -2.102 -0.813 -0.917 1.00 0.08 C ATOM 358 O VAL A 24 -2.075 -0.915 0.293 1.00 0.08 O ATOM 359 CB VAL A 24 -3.989 0.725 -1.496 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.190 1.703 -2.359 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.458 0.747 -1.924 1.00 0.09 C ATOM 0 H VAL A 24 -4.812 -1.426 -0.230 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.263 -0.865 -2.734 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.914 1.018 -0.449 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.591 2.709 -2.235 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.144 1.689 -2.052 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.265 1.409 -3.406 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.859 1.753 -1.798 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.536 0.454 -2.971 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.027 0.050 -1.309 1.00 0.09 H new ATOM 371 N VAL A 25 -1.007 -0.830 -1.631 1.00 0.09 N ATOM 372 CA VAL A 25 0.336 -0.976 -0.983 1.00 0.09 C ATOM 373 C VAL A 25 1.119 0.328 -1.115 1.00 0.10 C ATOM 374 O VAL A 25 1.107 0.966 -2.146 1.00 0.17 O ATOM 375 CB VAL A 25 1.111 -2.092 -1.691 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.279 -2.549 -0.815 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.177 -3.276 -1.952 1.00 0.09 C ATOM 0 H VAL A 25 -0.983 -0.748 -2.647 1.00 0.09 H new ATOM 0 HA VAL A 25 0.204 -1.216 0.072 1.00 0.09 H new ATOM 0 HB VAL A 25 1.497 -1.715 -2.638 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.826 -3.343 -1.324 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.947 -1.708 -0.631 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.897 -2.923 0.135 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.728 -4.070 -2.456 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.212 -3.649 -1.004 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.652 -2.954 -2.582 1.00 0.09 H new ATOM 387 N ASP A 26 1.808 0.718 -0.076 1.00 0.08 N ATOM 388 CA ASP A 26 2.616 1.975 -0.119 1.00 0.08 C ATOM 389 C ASP A 26 4.105 1.618 -0.124 1.00 0.08 C ATOM 390 O ASP A 26 4.688 1.342 0.906 1.00 0.09 O ATOM 391 CB ASP A 26 2.301 2.817 1.121 1.00 0.09 C ATOM 392 CG ASP A 26 3.242 4.022 1.174 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.174 4.843 0.274 1.00 0.96 O ATOM 394 OD2 ASP A 26 4.017 4.103 2.113 1.00 0.93 O ATOM 0 H ASP A 26 1.847 0.215 0.811 1.00 0.08 H new ATOM 0 HA ASP A 26 2.372 2.540 -1.019 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.264 3.153 1.091 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.415 2.214 2.022 1.00 0.09 H new ATOM 399 N PHE A 27 4.728 1.633 -1.270 1.00 0.08 N ATOM 400 CA PHE A 27 6.179 1.307 -1.331 1.00 0.09 C ATOM 401 C PHE A 27 6.959 2.585 -1.042 1.00 0.11 C ATOM 402 O PHE A 27 7.425 3.255 -1.943 1.00 0.13 O ATOM 403 CB PHE A 27 6.536 0.833 -2.738 1.00 0.10 C ATOM 404 CG PHE A 27 6.102 -0.600 -2.945 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.774 -0.899 -3.308 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.038 -1.637 -2.790 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.386 -2.240 -3.512 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.652 -2.975 -2.995 1.00 0.21 C ATOM 409 CZ PHE A 27 5.325 -3.277 -3.356 1.00 0.23 C ATOM 0 H PHE A 27 4.295 1.857 -2.166 1.00 0.08 H new ATOM 0 HA PHE A 27 6.419 0.527 -0.609 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.055 1.474 -3.476 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.611 0.919 -2.894 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.054 -0.103 -3.430 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.056 -1.407 -2.513 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.368 -2.471 -3.788 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.373 -3.770 -2.875 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.028 -4.303 -3.513 1.00 0.23 H new ATOM 419 N SER A 28 7.094 2.935 0.208 1.00 0.11 N ATOM 420 CA SER A 28 7.830 4.180 0.572 1.00 0.12 C ATOM 421 C SER A 28 9.187 3.818 1.165 1.00 0.10 C ATOM 422 O SER A 28 9.664 2.709 1.032 1.00 0.11 O ATOM 423 CB SER A 28 7.018 4.952 1.611 1.00 0.17 C ATOM 424 OG SER A 28 5.811 5.408 1.016 1.00 1.03 O ATOM 0 H SER A 28 6.723 2.408 0.999 1.00 0.11 H new ATOM 0 HA SER A 28 7.975 4.792 -0.318 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.797 4.313 2.466 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.595 5.798 1.986 1.00 0.17 H new ATOM 0 HG SER A 28 5.085 5.360 1.672 1.00 1.03 H new ATOM 430 N ALA A 29 9.805 4.754 1.827 1.00 0.10 N ATOM 431 CA ALA A 29 11.138 4.494 2.453 1.00 0.15 C ATOM 432 C ALA A 29 11.179 5.186 3.818 1.00 0.18 C ATOM 433 O ALA A 29 10.940 6.371 3.936 1.00 0.26 O ATOM 434 CB ALA A 29 12.242 5.049 1.544 1.00 0.19 C ATOM 0 H ALA A 29 9.444 5.698 1.965 1.00 0.10 H new ATOM 0 HA ALA A 29 11.295 3.423 2.583 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.215 4.861 1.997 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.194 4.558 0.572 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.102 6.122 1.416 1.00 0.19 H new ATOM 440 N THR A 30 11.457 4.442 4.853 1.00 0.18 N ATOM 441 CA THR A 30 11.488 5.035 6.223 1.00 0.23 C ATOM 442 C THR A 30 12.610 6.072 6.341 1.00 0.26 C ATOM 443 O THR A 30 12.536 6.983 7.141 1.00 0.31 O ATOM 444 CB THR A 30 11.721 3.923 7.250 1.00 0.26 C ATOM 445 OG1 THR A 30 11.648 4.469 8.560 1.00 0.32 O ATOM 446 CG2 THR A 30 13.102 3.304 7.029 1.00 0.28 C ATOM 0 H THR A 30 11.665 3.444 4.810 1.00 0.18 H new ATOM 0 HA THR A 30 10.534 5.528 6.411 1.00 0.23 H new ATOM 0 HB THR A 30 10.958 3.153 7.134 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.795 3.759 9.219 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.267 2.513 7.760 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.157 2.886 6.024 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.867 4.071 7.145 1.00 0.28 H new ATOM 454 N TRP A 31 13.652 5.942 5.565 1.00 0.26 N ATOM 455 CA TRP A 31 14.775 6.926 5.656 1.00 0.32 C ATOM 456 C TRP A 31 14.511 8.108 4.725 1.00 0.32 C ATOM 457 O TRP A 31 15.132 9.146 4.835 1.00 0.36 O ATOM 458 CB TRP A 31 16.081 6.244 5.241 1.00 0.34 C ATOM 459 CG TRP A 31 16.042 5.914 3.785 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.568 4.762 3.261 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.478 6.729 2.661 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.704 4.806 1.883 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.254 6.001 1.462 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.047 8.020 2.566 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.585 6.536 0.209 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.379 8.563 1.308 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.148 7.822 0.131 1.00 0.40 C ATOM 0 H TRP A 31 13.776 5.202 4.874 1.00 0.26 H new ATOM 0 HA TRP A 31 14.852 7.285 6.682 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.926 6.899 5.452 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.228 5.335 5.825 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.151 3.941 3.825 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.431 4.049 1.256 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.228 8.594 3.463 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.409 5.964 -0.690 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.812 9.550 1.246 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.404 8.242 -0.831 1.00 0.40 H new ATOM 478 N CYS A 32 13.607 7.952 3.796 1.00 0.28 N ATOM 479 CA CYS A 32 13.317 9.058 2.839 1.00 0.30 C ATOM 480 C CYS A 32 12.106 9.861 3.325 1.00 0.31 C ATOM 481 O CYS A 32 11.018 9.344 3.484 1.00 0.29 O ATOM 482 CB CYS A 32 13.037 8.454 1.455 1.00 0.28 C ATOM 483 SG CYS A 32 13.568 9.614 0.168 1.00 0.32 S ATOM 0 H CYS A 32 13.056 7.105 3.658 1.00 0.28 H new ATOM 0 HA CYS A 32 14.173 9.730 2.775 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.566 7.507 1.346 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.974 8.239 1.349 1.00 0.28 H new ATOM 488 N GLY A 33 12.300 11.127 3.564 1.00 0.34 N ATOM 489 CA GLY A 33 11.190 11.992 4.041 1.00 0.36 C ATOM 490 C GLY A 33 10.081 12.127 2.979 1.00 0.35 C ATOM 491 O GLY A 33 8.932 11.905 3.288 1.00 0.33 O ATOM 0 H GLY A 33 13.194 11.604 3.447 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.770 11.575 4.956 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.578 12.979 4.290 1.00 0.36 H new ATOM 495 N PRO A 34 10.437 12.513 1.767 1.00 0.37 N ATOM 496 CA PRO A 34 9.440 12.711 0.690 1.00 0.38 C ATOM 497 C PRO A 34 8.495 11.509 0.575 1.00 0.35 C ATOM 498 O PRO A 34 7.318 11.662 0.320 1.00 0.36 O ATOM 499 CB PRO A 34 10.284 12.906 -0.591 1.00 0.42 C ATOM 500 CG PRO A 34 11.739 13.191 -0.127 1.00 0.44 C ATOM 501 CD PRO A 34 11.835 12.771 1.360 1.00 0.40 C ATOM 0 HA PRO A 34 8.790 13.565 0.880 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.245 12.016 -1.219 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.898 13.734 -1.186 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.452 12.631 -0.732 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.981 14.247 -0.245 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.454 11.882 1.481 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.285 13.558 1.966 1.00 0.40 H new ATOM 509 N ALA A 35 8.987 10.323 0.764 1.00 0.33 N ATOM 510 CA ALA A 35 8.093 9.141 0.662 1.00 0.32 C ATOM 511 C ALA A 35 7.235 9.055 1.926 1.00 0.39 C ATOM 512 O ALA A 35 6.028 9.188 1.884 1.00 0.81 O ATOM 513 CB ALA A 35 8.940 7.873 0.523 1.00 0.36 C ATOM 0 H ALA A 35 9.962 10.119 0.983 1.00 0.33 H new ATOM 0 HA ALA A 35 7.448 9.237 -0.211 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.285 7.005 0.448 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.555 7.943 -0.374 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.584 7.768 1.396 1.00 0.36 H new ATOM 519 N LYS A 36 7.856 8.836 3.047 1.00 0.30 N ATOM 520 CA LYS A 36 7.101 8.740 4.326 1.00 0.28 C ATOM 521 C LYS A 36 6.347 10.047 4.599 1.00 0.24 C ATOM 522 O LYS A 36 5.472 10.103 5.440 1.00 0.25 O ATOM 523 CB LYS A 36 8.092 8.480 5.462 1.00 0.35 C ATOM 524 CG LYS A 36 7.346 8.472 6.807 1.00 0.38 C ATOM 525 CD LYS A 36 8.175 7.751 7.883 1.00 0.49 C ATOM 526 CE LYS A 36 9.310 8.660 8.362 1.00 1.22 C ATOM 527 NZ LYS A 36 8.736 9.838 9.072 1.00 1.92 N ATOM 0 H LYS A 36 8.865 8.718 3.134 1.00 0.30 H new ATOM 0 HA LYS A 36 6.379 7.927 4.259 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.595 7.525 5.308 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.864 9.249 5.468 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.143 9.495 7.122 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.382 7.977 6.691 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.537 7.478 8.723 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.585 6.825 7.479 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.975 8.109 9.027 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.909 8.990 7.513 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.176 9.926 10.010 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.921 10.700 8.520 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.710 9.711 9.181 1.00 1.92 H new ATOM 541 N MET A 37 6.685 11.100 3.908 1.00 0.23 N ATOM 542 CA MET A 37 5.991 12.401 4.144 1.00 0.24 C ATOM 543 C MET A 37 4.491 12.248 3.868 1.00 0.20 C ATOM 544 O MET A 37 3.688 13.034 4.329 1.00 0.20 O ATOM 545 CB MET A 37 6.588 13.480 3.222 1.00 0.29 C ATOM 546 CG MET A 37 5.705 14.737 3.217 1.00 1.31 C ATOM 547 SD MET A 37 5.334 15.230 4.919 1.00 2.12 S ATOM 548 CE MET A 37 5.105 16.996 4.597 1.00 3.13 C ATOM 0 H MET A 37 7.410 11.118 3.191 1.00 0.23 H new ATOM 0 HA MET A 37 6.131 12.701 5.183 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.593 13.737 3.557 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.680 13.090 2.208 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.214 15.548 2.696 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.780 14.541 2.675 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.863 17.507 5.529 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.023 17.412 4.182 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.291 17.134 3.886 1.00 3.13 H new ATOM 558 N ILE A 38 4.107 11.258 3.101 1.00 0.18 N ATOM 559 CA ILE A 38 2.656 11.073 2.777 1.00 0.15 C ATOM 560 C ILE A 38 2.029 10.041 3.710 1.00 0.16 C ATOM 561 O ILE A 38 0.945 9.554 3.471 1.00 0.16 O ATOM 562 CB ILE A 38 2.512 10.606 1.324 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.296 11.569 0.418 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.021 10.587 0.915 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.308 11.054 -1.038 1.00 0.28 C ATOM 0 H ILE A 38 4.734 10.570 2.685 1.00 0.18 H new ATOM 0 HA ILE A 38 2.141 12.025 2.910 1.00 0.15 H new ATOM 0 HB ILE A 38 2.908 9.596 1.221 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.845 12.561 0.455 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.318 11.670 0.783 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.932 10.254 -0.119 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.474 9.904 1.565 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.605 11.590 1.010 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.867 11.748 -1.665 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.780 10.072 -1.073 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.285 10.977 -1.405 1.00 0.28 H new ATOM 577 N LYS A 39 2.684 9.710 4.787 1.00 0.19 N ATOM 578 CA LYS A 39 2.080 8.720 5.712 1.00 0.22 C ATOM 579 C LYS A 39 0.827 9.279 6.428 1.00 0.20 C ATOM 580 O LYS A 39 -0.052 8.510 6.744 1.00 0.21 O ATOM 581 CB LYS A 39 3.123 8.167 6.722 1.00 0.31 C ATOM 582 CG LYS A 39 3.407 9.129 7.901 1.00 0.34 C ATOM 583 CD LYS A 39 3.995 8.347 9.093 1.00 0.45 C ATOM 584 CE LYS A 39 2.974 7.338 9.657 1.00 1.16 C ATOM 585 NZ LYS A 39 3.274 5.984 9.109 1.00 1.62 N ATOM 0 H LYS A 39 3.596 10.076 5.062 1.00 0.19 H new ATOM 0 HA LYS A 39 1.745 7.881 5.102 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.766 7.216 7.117 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.056 7.964 6.195 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.104 9.906 7.587 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.487 9.629 8.202 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.895 7.819 8.777 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.293 9.043 9.877 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.023 7.322 10.746 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.961 7.637 9.387 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.415 5.586 8.678 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 4.021 6.059 8.389 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.595 5.362 9.878 1.00 1.62 H new ATOM 599 N PRO A 40 0.746 10.574 6.699 1.00 0.20 N ATOM 600 CA PRO A 40 -0.431 11.095 7.409 1.00 0.21 C ATOM 601 C PRO A 40 -1.681 10.913 6.544 1.00 0.17 C ATOM 602 O PRO A 40 -2.786 11.171 6.975 1.00 0.20 O ATOM 603 CB PRO A 40 -0.116 12.580 7.684 1.00 0.24 C ATOM 604 CG PRO A 40 1.319 12.855 7.149 1.00 0.25 C ATOM 605 CD PRO A 40 1.747 11.612 6.343 1.00 0.21 C ATOM 0 HA PRO A 40 -0.633 10.570 8.343 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.841 13.225 7.188 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.176 12.794 8.751 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.332 13.745 6.520 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.009 13.037 7.973 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.745 11.814 5.272 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.757 11.297 6.606 1.00 0.21 H new ATOM 613 N PHE A 41 -1.510 10.457 5.330 1.00 0.14 N ATOM 614 CA PHE A 41 -2.678 10.234 4.425 1.00 0.14 C ATOM 615 C PHE A 41 -2.877 8.731 4.238 1.00 0.11 C ATOM 616 O PHE A 41 -3.741 8.132 4.841 1.00 0.13 O ATOM 617 CB PHE A 41 -2.401 10.887 3.067 1.00 0.15 C ATOM 618 CG PHE A 41 -2.654 12.372 3.170 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.695 13.208 3.771 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.852 12.915 2.671 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.934 14.592 3.873 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.093 14.299 2.773 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.134 15.138 3.375 1.00 0.27 C ATOM 0 H PHE A 41 -0.603 10.228 4.923 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.575 10.674 4.860 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.370 10.702 2.764 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.042 10.449 2.302 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.776 12.789 4.154 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.586 12.271 2.210 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.198 15.235 4.333 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.012 14.717 2.390 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.319 16.199 3.455 1.00 0.27 H new ATOM 633 N PHE A 42 -2.079 8.127 3.405 1.00 0.10 N ATOM 634 CA PHE A 42 -2.204 6.661 3.151 1.00 0.11 C ATOM 635 C PHE A 42 -2.488 5.898 4.451 1.00 0.11 C ATOM 636 O PHE A 42 -3.483 5.210 4.570 1.00 0.12 O ATOM 637 CB PHE A 42 -0.894 6.157 2.551 1.00 0.13 C ATOM 638 CG PHE A 42 -0.978 4.669 2.343 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.681 4.164 1.239 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.348 3.788 3.245 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.756 2.779 1.029 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.425 2.398 3.036 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.129 1.893 1.926 1.00 0.10 C ATOM 0 H PHE A 42 -1.336 8.590 2.882 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.034 6.492 2.466 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.700 6.657 1.602 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.062 6.396 3.214 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.164 4.841 0.551 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.193 4.178 4.095 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.296 2.391 0.178 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.055 1.720 3.726 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.188 0.827 1.763 1.00 0.10 H new ATOM 653 N HIS A 43 -1.625 6.004 5.420 1.00 0.14 N ATOM 654 CA HIS A 43 -1.850 5.274 6.700 1.00 0.16 C ATOM 655 C HIS A 43 -3.085 5.844 7.419 1.00 0.16 C ATOM 656 O HIS A 43 -3.782 5.133 8.116 1.00 0.18 O ATOM 657 CB HIS A 43 -0.570 5.376 7.567 1.00 0.21 C ATOM 658 CG HIS A 43 -0.889 5.298 9.039 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.814 4.116 9.757 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.315 6.254 9.927 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.190 4.387 11.021 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.506 5.676 11.179 1.00 0.39 N ATOM 0 H HIS A 43 -0.773 6.564 5.383 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.049 4.219 6.508 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.116 4.572 7.300 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.059 6.315 7.354 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.477 7.295 9.691 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.231 3.652 11.811 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.820 6.137 12.033 1.00 0.39 H new ATOM 670 N SER A 44 -3.367 7.106 7.257 1.00 0.20 N ATOM 671 CA SER A 44 -4.563 7.686 7.936 1.00 0.25 C ATOM 672 C SER A 44 -5.850 7.060 7.375 1.00 0.20 C ATOM 673 O SER A 44 -6.776 6.773 8.108 1.00 0.21 O ATOM 674 CB SER A 44 -4.592 9.199 7.725 1.00 0.34 C ATOM 675 OG SER A 44 -5.889 9.694 8.037 1.00 0.97 O ATOM 0 H SER A 44 -2.827 7.758 6.689 1.00 0.20 H new ATOM 0 HA SER A 44 -4.502 7.470 9.003 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.845 9.680 8.357 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.338 9.438 6.692 1.00 0.34 H new ATOM 0 HG SER A 44 -5.909 10.665 7.904 1.00 0.97 H new ATOM 681 N LEU A 45 -5.922 6.851 6.084 1.00 0.18 N ATOM 682 CA LEU A 45 -7.158 6.249 5.495 1.00 0.18 C ATOM 683 C LEU A 45 -7.537 4.985 6.271 1.00 0.16 C ATOM 684 O LEU A 45 -8.640 4.490 6.161 1.00 0.23 O ATOM 685 CB LEU A 45 -6.911 5.874 4.026 1.00 0.19 C ATOM 686 CG LEU A 45 -6.483 7.104 3.211 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.327 6.699 1.742 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.541 8.215 3.329 1.00 0.50 C ATOM 0 H LEU A 45 -5.183 7.070 5.416 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.966 6.978 5.556 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.139 5.107 3.967 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.818 5.447 3.598 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.535 7.480 3.597 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.023 7.566 1.156 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.569 5.920 1.658 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.278 6.322 1.366 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.226 9.081 2.747 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.495 7.850 2.949 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.652 8.502 4.375 1.00 0.50 H new ATOM 700 N SER A 46 -6.636 4.454 7.049 1.00 0.20 N ATOM 701 CA SER A 46 -6.959 3.220 7.821 1.00 0.25 C ATOM 702 C SER A 46 -8.183 3.465 8.708 1.00 0.17 C ATOM 703 O SER A 46 -8.932 2.557 9.009 1.00 0.15 O ATOM 704 CB SER A 46 -5.766 2.837 8.699 1.00 0.36 C ATOM 705 OG SER A 46 -4.580 2.862 7.916 1.00 0.51 O ATOM 0 H SER A 46 -5.693 4.819 7.184 1.00 0.20 H new ATOM 0 HA SER A 46 -7.175 2.411 7.124 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.678 3.530 9.536 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.915 1.844 9.122 1.00 0.36 H new ATOM 0 HG SER A 46 -3.970 3.544 8.267 1.00 0.51 H new ATOM 711 N GLU A 47 -8.388 4.684 9.139 1.00 0.21 N ATOM 712 CA GLU A 47 -9.559 4.986 10.020 1.00 0.21 C ATOM 713 C GLU A 47 -10.723 5.528 9.186 1.00 0.18 C ATOM 714 O GLU A 47 -11.863 5.494 9.604 1.00 0.18 O ATOM 715 CB GLU A 47 -9.151 6.039 11.055 1.00 0.32 C ATOM 716 CG GLU A 47 -7.775 5.689 11.624 1.00 0.39 C ATOM 717 CD GLU A 47 -7.419 6.677 12.736 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.394 7.866 12.461 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.175 6.229 13.845 1.00 1.98 O ATOM 0 H GLU A 47 -7.795 5.484 8.919 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.874 4.070 10.520 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.125 7.026 10.594 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.888 6.081 11.857 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.779 4.671 12.014 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.023 5.725 10.836 1.00 0.39 H new ATOM 726 N LYS A 48 -10.451 6.039 8.016 1.00 0.18 N ATOM 727 CA LYS A 48 -11.549 6.595 7.168 1.00 0.17 C ATOM 728 C LYS A 48 -12.098 5.500 6.249 1.00 0.15 C ATOM 729 O LYS A 48 -13.213 5.583 5.773 1.00 0.18 O ATOM 730 CB LYS A 48 -10.996 7.745 6.318 1.00 0.21 C ATOM 731 CG LYS A 48 -12.154 8.586 5.745 1.00 0.26 C ATOM 732 CD LYS A 48 -12.587 9.654 6.757 1.00 1.09 C ATOM 733 CE LYS A 48 -13.640 10.561 6.118 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.983 11.471 5.137 1.00 2.16 N ATOM 0 H LYS A 48 -9.517 6.096 7.609 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.352 6.962 7.808 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.344 8.375 6.924 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.389 7.347 5.505 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -11.842 9.062 4.815 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.998 7.939 5.505 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.993 9.181 7.651 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.726 10.243 7.072 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -14.400 9.959 5.619 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -14.148 11.143 6.886 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.620 12.264 4.919 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.099 11.839 5.543 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.772 10.946 4.264 1.00 2.16 H new ATOM 748 N TYR A 49 -11.320 4.477 5.996 1.00 0.13 N ATOM 749 CA TYR A 49 -11.784 3.365 5.106 1.00 0.13 C ATOM 750 C TYR A 49 -11.461 2.024 5.764 1.00 0.11 C ATOM 751 O TYR A 49 -10.609 1.286 5.312 1.00 0.11 O ATOM 752 CB TYR A 49 -11.072 3.470 3.750 1.00 0.15 C ATOM 753 CG TYR A 49 -11.760 4.520 2.906 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.016 4.240 2.337 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.158 5.778 2.704 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.670 5.213 1.563 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.813 6.754 1.934 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.070 6.473 1.360 1.00 0.21 C ATOM 759 OH TYR A 49 -13.713 7.431 0.603 1.00 0.24 O ATOM 0 H TYR A 49 -10.378 4.363 6.369 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.861 3.438 4.951 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.024 3.733 3.896 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.091 2.507 3.240 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.478 3.277 2.495 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.194 5.992 3.141 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.632 4.996 1.123 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.354 7.720 1.782 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.163 8.241 0.564 1.00 0.24 H new ATOM 769 N SER A 50 -12.144 1.704 6.827 1.00 0.12 N ATOM 770 CA SER A 50 -11.892 0.411 7.519 1.00 0.13 C ATOM 771 C SER A 50 -12.343 -0.739 6.618 1.00 0.13 C ATOM 772 O SER A 50 -12.145 -1.898 6.923 1.00 0.14 O ATOM 773 CB SER A 50 -12.683 0.375 8.826 1.00 0.16 C ATOM 774 OG SER A 50 -14.073 0.322 8.532 1.00 0.17 O ATOM 0 H SER A 50 -12.869 2.285 7.248 1.00 0.12 H new ATOM 0 HA SER A 50 -10.828 0.310 7.735 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.391 -0.493 9.417 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.459 1.258 9.424 1.00 0.16 H new ATOM 0 HG SER A 50 -14.584 0.297 9.368 1.00 0.17 H new ATOM 780 N ASN A 51 -12.956 -0.424 5.507 1.00 0.13 N ATOM 781 CA ASN A 51 -13.433 -1.487 4.576 1.00 0.15 C ATOM 782 C ASN A 51 -12.374 -1.736 3.502 1.00 0.13 C ATOM 783 O ASN A 51 -12.568 -2.520 2.594 1.00 0.14 O ATOM 784 CB ASN A 51 -14.732 -1.022 3.919 1.00 0.17 C ATOM 785 CG ASN A 51 -15.369 -2.185 3.156 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.952 -2.511 2.063 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.372 -2.827 3.691 1.00 0.32 N ATOM 0 H ASN A 51 -13.147 0.531 5.203 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.609 -2.411 5.126 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.422 -0.651 4.677 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.531 -0.195 3.238 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.806 -3.603 3.191 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.722 -2.553 4.609 1.00 0.32 H new ATOM 794 N VAL A 52 -11.250 -1.074 3.610 1.00 0.11 N ATOM 795 CA VAL A 52 -10.146 -1.253 2.613 1.00 0.10 C ATOM 796 C VAL A 52 -8.895 -1.731 3.348 1.00 0.10 C ATOM 797 O VAL A 52 -8.648 -1.360 4.479 1.00 0.11 O ATOM 798 CB VAL A 52 -9.851 0.086 1.943 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.692 -0.078 0.959 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.098 0.570 1.194 1.00 0.12 C ATOM 0 H VAL A 52 -11.046 -0.408 4.355 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.440 -1.983 1.858 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.578 0.819 2.702 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.482 0.879 0.481 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.806 -0.418 1.494 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.961 -0.812 0.199 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.887 1.526 0.716 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.374 -0.162 0.435 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.921 0.690 1.898 1.00 0.12 H new ATOM 810 N ILE A 53 -8.109 -2.563 2.722 1.00 0.09 N ATOM 811 CA ILE A 53 -6.874 -3.084 3.383 1.00 0.09 C ATOM 812 C ILE A 53 -5.662 -2.264 2.919 1.00 0.09 C ATOM 813 O ILE A 53 -5.444 -2.080 1.738 1.00 0.14 O ATOM 814 CB ILE A 53 -6.679 -4.547 2.974 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.025 -5.304 3.035 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.633 -5.218 3.876 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.798 -5.010 4.335 1.00 0.17 C ATOM 0 H ILE A 53 -8.268 -2.908 1.775 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.971 -3.006 4.466 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.315 -4.580 1.947 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.637 -5.023 2.178 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.841 -6.376 2.958 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.505 -6.257 3.574 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.682 -4.693 3.783 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.968 -5.180 4.912 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.737 -5.564 4.333 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.198 -5.316 5.192 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -9.007 -3.942 4.401 1.00 0.17 H new ATOM 829 N PHE A 54 -4.870 -1.774 3.843 1.00 0.08 N ATOM 830 CA PHE A 54 -3.661 -0.964 3.476 1.00 0.08 C ATOM 831 C PHE A 54 -2.399 -1.715 3.898 1.00 0.08 C ATOM 832 O PHE A 54 -2.286 -2.180 5.014 1.00 0.11 O ATOM 833 CB PHE A 54 -3.709 0.377 4.210 1.00 0.08 C ATOM 834 CG PHE A 54 -4.893 1.174 3.715 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.889 1.692 2.408 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.001 1.394 4.557 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.991 2.433 1.939 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.104 2.135 4.089 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.098 2.655 2.780 1.00 0.09 C ATOM 0 H PHE A 54 -5.010 -1.901 4.845 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.649 -0.798 2.399 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.789 0.214 5.285 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.786 0.931 4.040 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.040 1.521 1.763 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.005 0.995 5.561 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.987 2.831 0.935 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.954 2.304 4.734 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.943 3.224 2.421 1.00 0.09 H new ATOM 849 N LEU A 55 -1.447 -1.837 3.006 1.00 0.08 N ATOM 850 CA LEU A 55 -0.173 -2.558 3.326 1.00 0.09 C ATOM 851 C LEU A 55 0.980 -1.549 3.340 1.00 0.09 C ATOM 852 O LEU A 55 0.821 -0.400 2.978 1.00 0.10 O ATOM 853 CB LEU A 55 0.104 -3.617 2.243 1.00 0.10 C ATOM 854 CG LEU A 55 -0.696 -4.901 2.509 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.173 -4.577 2.769 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.582 -5.816 1.285 1.00 0.12 C ATOM 0 H LEU A 55 -1.498 -1.464 2.058 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.261 -3.042 4.299 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.159 -3.217 1.263 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.169 -3.847 2.218 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.292 -5.396 3.392 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.721 -5.501 2.955 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.255 -3.925 3.639 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.594 -4.075 1.898 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.146 -6.732 1.462 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.984 -5.305 0.410 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.465 -6.063 1.112 1.00 0.12 H new ATOM 868 N GLU A 56 2.146 -1.981 3.744 1.00 0.09 N ATOM 869 CA GLU A 56 3.329 -1.070 3.775 1.00 0.09 C ATOM 870 C GLU A 56 4.564 -1.886 3.389 1.00 0.09 C ATOM 871 O GLU A 56 4.680 -3.042 3.744 1.00 0.10 O ATOM 872 CB GLU A 56 3.496 -0.490 5.188 1.00 0.09 C ATOM 873 CG GLU A 56 4.381 0.763 5.138 1.00 0.11 C ATOM 874 CD GLU A 56 4.355 1.461 6.499 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.641 0.805 7.486 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.051 2.643 6.530 1.00 1.24 O ATOM 0 H GLU A 56 2.331 -2.934 4.056 1.00 0.09 H new ATOM 0 HA GLU A 56 3.195 -0.243 3.077 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.521 -0.240 5.605 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.943 -1.235 5.846 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.403 0.489 4.878 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.025 1.442 4.363 1.00 0.11 H new ATOM 883 N VAL A 57 5.477 -1.311 2.647 1.00 0.08 N ATOM 884 CA VAL A 57 6.689 -2.081 2.222 1.00 0.08 C ATOM 885 C VAL A 57 7.932 -1.188 2.236 1.00 0.09 C ATOM 886 O VAL A 57 7.912 -0.063 1.776 1.00 0.14 O ATOM 887 CB VAL A 57 6.469 -2.604 0.799 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.660 -3.469 0.384 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.190 -3.442 0.754 1.00 0.09 C ATOM 0 H VAL A 57 5.437 -0.346 2.318 1.00 0.08 H new ATOM 0 HA VAL A 57 6.843 -2.907 2.917 1.00 0.08 H new ATOM 0 HB VAL A 57 6.375 -1.762 0.114 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.504 -3.841 -0.628 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.571 -2.872 0.415 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.755 -4.311 1.070 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.034 -3.814 -0.259 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.283 -4.284 1.440 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.341 -2.826 1.049 1.00 0.09 H new ATOM 899 N ASP A 58 9.027 -1.703 2.744 1.00 0.09 N ATOM 900 CA ASP A 58 10.297 -0.918 2.772 1.00 0.09 C ATOM 901 C ASP A 58 11.135 -1.332 1.562 1.00 0.10 C ATOM 902 O ASP A 58 11.609 -2.446 1.475 1.00 0.11 O ATOM 903 CB ASP A 58 11.067 -1.225 4.063 1.00 0.11 C ATOM 904 CG ASP A 58 12.126 -0.145 4.297 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.753 1.014 4.383 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.292 -0.494 4.385 1.00 1.08 O ATOM 0 H ASP A 58 9.093 -2.640 3.142 1.00 0.09 H new ATOM 0 HA ASP A 58 10.083 0.150 2.738 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.380 -1.264 4.908 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.541 -2.204 3.992 1.00 0.11 H new ATOM 911 N VAL A 59 11.302 -0.453 0.619 1.00 0.12 N ATOM 912 CA VAL A 59 12.087 -0.805 -0.599 1.00 0.15 C ATOM 913 C VAL A 59 13.553 -1.065 -0.243 1.00 0.18 C ATOM 914 O VAL A 59 14.309 -1.571 -1.047 1.00 0.27 O ATOM 915 CB VAL A 59 12.007 0.350 -1.597 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.585 0.450 -2.149 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.369 1.660 -0.895 1.00 0.22 C ATOM 0 H VAL A 59 10.930 0.496 0.636 1.00 0.12 H new ATOM 0 HA VAL A 59 11.669 -1.712 -1.036 1.00 0.15 H new ATOM 0 HB VAL A 59 12.705 0.169 -2.414 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.528 1.274 -2.861 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.323 -0.482 -2.651 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.889 0.629 -1.330 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.312 2.483 -1.608 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.671 1.839 -0.077 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.382 1.593 -0.499 1.00 0.22 H new ATOM 927 N ASP A 60 13.970 -0.713 0.944 1.00 0.16 N ATOM 928 CA ASP A 60 15.402 -0.920 1.329 1.00 0.18 C ATOM 929 C ASP A 60 15.572 -2.207 2.140 1.00 0.17 C ATOM 930 O ASP A 60 16.494 -2.966 1.920 1.00 0.18 O ATOM 931 CB ASP A 60 15.854 0.255 2.187 1.00 0.21 C ATOM 932 CG ASP A 60 15.747 1.553 1.384 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.713 1.901 0.727 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.701 2.178 1.441 1.00 1.11 O ATOM 0 H ASP A 60 13.384 -0.291 1.665 1.00 0.16 H new ATOM 0 HA ASP A 60 15.999 -0.995 0.420 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.239 0.320 3.085 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.882 0.103 2.515 1.00 0.21 H new ATOM 939 N ASP A 61 14.709 -2.454 3.087 1.00 0.17 N ATOM 940 CA ASP A 61 14.845 -3.687 3.921 1.00 0.17 C ATOM 941 C ASP A 61 14.028 -4.823 3.291 1.00 0.16 C ATOM 942 O ASP A 61 14.211 -5.979 3.618 1.00 0.18 O ATOM 943 CB ASP A 61 14.354 -3.376 5.345 1.00 0.19 C ATOM 944 CG ASP A 61 13.996 -4.667 6.092 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.779 -5.601 6.028 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.948 -4.697 6.715 1.00 1.07 O ATOM 0 H ASP A 61 13.915 -1.857 3.321 1.00 0.17 H new ATOM 0 HA ASP A 61 15.887 -4.004 3.968 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.128 -2.837 5.892 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.482 -2.723 5.299 1.00 0.19 H new ATOM 951 N ALA A 62 13.141 -4.502 2.382 1.00 0.16 N ATOM 952 CA ALA A 62 12.314 -5.556 1.706 1.00 0.16 C ATOM 953 C ALA A 62 12.638 -5.547 0.210 1.00 0.16 C ATOM 954 O ALA A 62 11.763 -5.627 -0.629 1.00 0.15 O ATOM 955 CB ALA A 62 10.825 -5.254 1.919 1.00 0.17 C ATOM 0 H ALA A 62 12.951 -3.548 2.075 1.00 0.16 H new ATOM 0 HA ALA A 62 12.539 -6.536 2.126 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.225 -6.020 1.428 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.604 -5.249 2.986 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.587 -4.279 1.494 1.00 0.17 H new ATOM 961 N GLN A 63 13.896 -5.443 -0.126 1.00 0.20 N ATOM 962 CA GLN A 63 14.290 -5.421 -1.564 1.00 0.22 C ATOM 963 C GLN A 63 13.736 -6.659 -2.271 1.00 0.20 C ATOM 964 O GLN A 63 13.690 -6.721 -3.483 1.00 0.20 O ATOM 965 CB GLN A 63 15.816 -5.407 -1.675 1.00 0.29 C ATOM 966 CG GLN A 63 16.407 -6.500 -0.783 1.00 0.90 C ATOM 967 CD GLN A 63 17.910 -6.612 -1.044 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.400 -6.136 -2.049 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.668 -7.226 -0.177 1.00 2.22 N ATOM 0 H GLN A 63 14.669 -5.372 0.535 1.00 0.20 H new ATOM 0 HA GLN A 63 13.883 -4.527 -2.035 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.117 -5.567 -2.710 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.203 -4.432 -1.378 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.225 -6.266 0.266 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.919 -7.454 -0.986 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.257 -7.626 0.667 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.671 -7.306 -0.343 1.00 2.22 H new ATOM 978 N ASP A 64 13.315 -7.643 -1.527 1.00 0.19 N ATOM 979 CA ASP A 64 12.763 -8.867 -2.165 1.00 0.20 C ATOM 980 C ASP A 64 11.411 -8.533 -2.796 1.00 0.17 C ATOM 981 O ASP A 64 11.095 -8.974 -3.884 1.00 0.19 O ATOM 982 CB ASP A 64 12.591 -9.959 -1.102 1.00 0.22 C ATOM 983 CG ASP A 64 12.069 -9.333 0.191 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.855 -8.705 0.882 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.892 -9.492 0.472 1.00 1.09 O ATOM 0 H ASP A 64 13.330 -7.652 -0.507 1.00 0.19 H new ATOM 0 HA ASP A 64 13.443 -9.226 -2.937 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.896 -10.720 -1.456 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.543 -10.457 -0.919 1.00 0.22 H new ATOM 990 N VAL A 65 10.618 -7.745 -2.127 1.00 0.15 N ATOM 991 CA VAL A 65 9.296 -7.369 -2.693 1.00 0.16 C ATOM 992 C VAL A 65 9.513 -6.335 -3.800 1.00 0.16 C ATOM 993 O VAL A 65 8.957 -6.435 -4.876 1.00 0.19 O ATOM 994 CB VAL A 65 8.420 -6.777 -1.586 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.962 -6.756 -2.044 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.548 -7.638 -0.324 1.00 0.18 C ATOM 0 H VAL A 65 10.829 -7.345 -1.213 1.00 0.15 H new ATOM 0 HA VAL A 65 8.798 -8.247 -3.106 1.00 0.16 H new ATOM 0 HB VAL A 65 8.745 -5.759 -1.369 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.339 -6.334 -1.255 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.872 -6.146 -2.943 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.634 -7.773 -2.261 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.925 -7.219 0.467 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.222 -8.655 -0.543 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.588 -7.653 0.002 1.00 0.18 H new ATOM 1006 N ALA A 66 10.333 -5.347 -3.547 1.00 0.16 N ATOM 1007 CA ALA A 66 10.602 -4.314 -4.588 1.00 0.18 C ATOM 1008 C ALA A 66 11.275 -4.981 -5.787 1.00 0.19 C ATOM 1009 O ALA A 66 11.087 -4.584 -6.920 1.00 0.20 O ATOM 1010 CB ALA A 66 11.530 -3.237 -4.019 1.00 0.22 C ATOM 0 H ALA A 66 10.827 -5.212 -2.665 1.00 0.16 H new ATOM 0 HA ALA A 66 9.664 -3.853 -4.897 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.724 -2.484 -4.783 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.056 -2.767 -3.158 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.471 -3.693 -3.711 1.00 0.22 H new ATOM 1016 N SER A 67 12.060 -5.997 -5.544 1.00 0.21 N ATOM 1017 CA SER A 67 12.746 -6.693 -6.667 1.00 0.26 C ATOM 1018 C SER A 67 11.700 -7.339 -7.574 1.00 0.26 C ATOM 1019 O SER A 67 11.726 -7.187 -8.779 1.00 0.29 O ATOM 1020 CB SER A 67 13.675 -7.773 -6.107 1.00 0.31 C ATOM 1021 OG SER A 67 14.828 -7.156 -5.548 1.00 1.29 O ATOM 0 H SER A 67 12.255 -6.373 -4.616 1.00 0.21 H new ATOM 0 HA SER A 67 13.332 -5.974 -7.240 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.156 -8.357 -5.347 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.966 -8.465 -6.898 1.00 0.31 H new ATOM 0 HG SER A 67 14.724 -7.089 -4.576 1.00 1.29 H new ATOM 1027 N GLU A 68 10.775 -8.059 -7.001 1.00 0.26 N ATOM 1028 CA GLU A 68 9.723 -8.715 -7.825 1.00 0.30 C ATOM 1029 C GLU A 68 8.872 -7.646 -8.514 1.00 0.31 C ATOM 1030 O GLU A 68 8.470 -7.798 -9.650 1.00 0.36 O ATOM 1031 CB GLU A 68 8.836 -9.578 -6.920 1.00 0.31 C ATOM 1032 CG GLU A 68 7.821 -10.355 -7.770 1.00 0.39 C ATOM 1033 CD GLU A 68 6.657 -9.439 -8.155 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.973 -8.976 -7.257 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.473 -9.213 -9.339 1.00 2.19 O ATOM 0 H GLU A 68 10.703 -8.221 -5.997 1.00 0.26 H new ATOM 0 HA GLU A 68 10.190 -9.344 -8.582 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.452 -10.272 -6.348 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.314 -8.948 -6.200 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.304 -10.741 -8.668 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.450 -11.215 -7.213 1.00 0.39 H new ATOM 1042 N ALA A 69 8.588 -6.565 -7.833 1.00 0.29 N ATOM 1043 CA ALA A 69 7.757 -5.485 -8.451 1.00 0.31 C ATOM 1044 C ALA A 69 8.662 -4.500 -9.196 1.00 0.29 C ATOM 1045 O ALA A 69 8.197 -3.598 -9.863 1.00 0.33 O ATOM 1046 CB ALA A 69 6.994 -4.741 -7.354 1.00 0.31 C ATOM 0 H ALA A 69 8.895 -6.383 -6.877 1.00 0.29 H new ATOM 0 HA ALA A 69 7.051 -5.930 -9.153 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.388 -3.954 -7.802 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.347 -5.439 -6.823 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.703 -4.299 -6.654 1.00 0.31 H new ATOM 1052 N GLU A 70 9.950 -4.670 -9.091 1.00 0.27 N ATOM 1053 CA GLU A 70 10.887 -3.748 -9.797 1.00 0.29 C ATOM 1054 C GLU A 70 10.467 -2.290 -9.574 1.00 0.25 C ATOM 1055 O GLU A 70 10.229 -1.553 -10.510 1.00 0.26 O ATOM 1056 CB GLU A 70 10.874 -4.060 -11.294 1.00 0.38 C ATOM 1057 CG GLU A 70 11.206 -5.538 -11.512 1.00 1.18 C ATOM 1058 CD GLU A 70 11.480 -5.788 -12.996 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.531 -6.043 -13.719 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.634 -5.721 -13.384 1.00 2.34 O ATOM 0 H GLU A 70 10.396 -5.408 -8.547 1.00 0.27 H new ATOM 0 HA GLU A 70 11.892 -3.890 -9.399 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.895 -3.831 -11.715 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.599 -3.433 -11.813 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.077 -5.817 -10.919 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.378 -6.161 -11.175 1.00 1.18 H new ATOM 1067 N VAL A 71 10.388 -1.864 -8.342 1.00 0.22 N ATOM 1068 CA VAL A 71 10.001 -0.451 -8.057 1.00 0.19 C ATOM 1069 C VAL A 71 11.213 0.455 -8.301 1.00 0.23 C ATOM 1070 O VAL A 71 12.306 0.166 -7.856 1.00 0.28 O ATOM 1071 CB VAL A 71 9.557 -0.337 -6.601 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.985 1.058 -6.358 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.476 -1.384 -6.317 1.00 0.19 C ATOM 0 H VAL A 71 10.575 -2.435 -7.518 1.00 0.22 H new ATOM 0 HA VAL A 71 9.182 -0.148 -8.709 1.00 0.19 H new ATOM 0 HB VAL A 71 10.410 -0.505 -5.943 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.666 1.145 -5.319 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.750 1.806 -6.567 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.130 1.220 -7.015 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.157 -1.305 -5.278 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.622 -1.213 -6.973 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.878 -2.381 -6.498 1.00 0.19 H new ATOM 1083 N LYS A 72 11.031 1.541 -9.018 1.00 0.24 N ATOM 1084 CA LYS A 72 12.176 2.469 -9.312 1.00 0.29 C ATOM 1085 C LYS A 72 11.839 3.890 -8.849 1.00 0.26 C ATOM 1086 O LYS A 72 12.617 4.806 -9.024 1.00 0.27 O ATOM 1087 CB LYS A 72 12.436 2.487 -10.823 1.00 0.35 C ATOM 1088 CG LYS A 72 12.837 1.085 -11.306 1.00 0.43 C ATOM 1089 CD LYS A 72 14.311 0.804 -10.982 1.00 1.16 C ATOM 1090 CE LYS A 72 14.772 -0.434 -11.752 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.942 -1.605 -11.352 1.00 2.40 N ATOM 0 H LYS A 72 10.136 1.827 -9.414 1.00 0.24 H new ATOM 0 HA LYS A 72 13.061 2.118 -8.781 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.542 2.820 -11.350 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.227 3.200 -11.055 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.205 0.336 -10.830 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.673 1.004 -12.381 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.925 1.663 -11.252 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.436 0.647 -9.911 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.684 -0.262 -12.825 1.00 1.66 H new ATOM 0 HE3 LYS A 72 15.824 -0.633 -11.546 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.411 -2.483 -11.654 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.827 -1.612 -10.318 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.008 -1.539 -11.804 1.00 2.40 H new ATOM 1105 N ALA A 73 10.691 4.087 -8.259 1.00 0.22 N ATOM 1106 CA ALA A 73 10.320 5.460 -7.785 1.00 0.20 C ATOM 1107 C ALA A 73 9.374 5.337 -6.589 1.00 0.18 C ATOM 1108 O ALA A 73 8.415 4.605 -6.635 1.00 0.16 O ATOM 1109 CB ALA A 73 9.622 6.225 -8.925 1.00 0.21 C ATOM 0 H ALA A 73 9.994 3.363 -8.083 1.00 0.22 H new ATOM 0 HA ALA A 73 11.216 6.003 -7.486 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.352 7.223 -8.581 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.298 6.305 -9.777 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.722 5.689 -9.225 1.00 0.21 H new ATOM 1115 N THR A 74 9.642 6.051 -5.518 1.00 0.18 N ATOM 1116 CA THR A 74 8.757 5.977 -4.308 1.00 0.17 C ATOM 1117 C THR A 74 8.117 7.359 -4.065 1.00 0.17 C ATOM 1118 O THR A 74 8.735 8.361 -4.368 1.00 0.19 O ATOM 1119 CB THR A 74 9.609 5.605 -3.079 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.671 6.538 -2.947 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.206 4.190 -3.220 1.00 0.19 C ATOM 0 H THR A 74 10.438 6.683 -5.430 1.00 0.18 H new ATOM 0 HA THR A 74 7.982 5.227 -4.467 1.00 0.17 H new ATOM 0 HB THR A 74 8.966 5.626 -2.199 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.215 6.306 -2.165 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.802 3.957 -2.337 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.400 3.463 -3.316 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.839 4.149 -4.106 1.00 0.19 H new ATOM 1129 N PRO A 75 6.918 7.404 -3.503 1.00 0.17 N ATOM 1130 CA PRO A 75 6.116 6.215 -3.112 1.00 0.16 C ATOM 1131 C PRO A 75 5.455 5.589 -4.358 1.00 0.14 C ATOM 1132 O PRO A 75 5.059 6.290 -5.268 1.00 0.14 O ATOM 1133 CB PRO A 75 5.036 6.783 -2.159 1.00 0.17 C ATOM 1134 CG PRO A 75 5.088 8.336 -2.270 1.00 0.20 C ATOM 1135 CD PRO A 75 6.283 8.695 -3.181 1.00 0.19 C ATOM 0 HA PRO A 75 6.717 5.435 -2.645 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.049 6.411 -2.433 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.223 6.465 -1.133 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.158 8.722 -2.687 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.207 8.787 -1.285 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.951 9.208 -4.084 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.980 9.362 -2.674 1.00 0.19 H new ATOM 1143 N THR A 76 5.310 4.280 -4.389 1.00 0.13 N ATOM 1144 CA THR A 76 4.644 3.610 -5.560 1.00 0.12 C ATOM 1145 C THR A 76 3.368 2.952 -5.053 1.00 0.12 C ATOM 1146 O THR A 76 3.417 2.015 -4.282 1.00 0.18 O ATOM 1147 CB THR A 76 5.558 2.520 -6.163 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.901 2.960 -6.121 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.164 2.255 -7.622 1.00 0.13 C ATOM 0 H THR A 76 5.624 3.647 -3.654 1.00 0.13 H new ATOM 0 HA THR A 76 4.434 4.351 -6.332 1.00 0.12 H new ATOM 0 HB THR A 76 5.448 1.602 -5.586 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.937 3.920 -6.314 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.813 1.485 -8.040 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.128 1.918 -7.664 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.271 3.173 -8.200 1.00 0.13 H new ATOM 1157 N PHE A 77 2.222 3.418 -5.469 1.00 0.09 N ATOM 1158 CA PHE A 77 0.966 2.780 -4.984 1.00 0.09 C ATOM 1159 C PHE A 77 0.617 1.622 -5.899 1.00 0.09 C ATOM 1160 O PHE A 77 0.534 1.763 -7.102 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.180 3.787 -4.963 1.00 0.10 C ATOM 1162 CG PHE A 77 0.096 4.800 -3.889 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.152 4.468 -2.548 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.609 6.068 -4.223 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.112 5.405 -1.533 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.873 7.007 -3.209 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.624 6.677 -1.862 1.00 0.12 C ATOM 0 H PHE A 77 2.101 4.200 -6.113 1.00 0.09 H new ATOM 0 HA PHE A 77 1.120 2.419 -3.967 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.271 4.278 -5.932 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.126 3.280 -4.772 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.545 3.494 -2.296 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.800 6.319 -5.256 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.078 5.150 -0.501 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.266 7.980 -3.463 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.825 7.397 -1.083 1.00 0.12 H new ATOM 1177 N GLN A 78 0.418 0.474 -5.324 1.00 0.07 N ATOM 1178 CA GLN A 78 0.076 -0.737 -6.113 1.00 0.07 C ATOM 1179 C GLN A 78 -1.229 -1.298 -5.559 1.00 0.06 C ATOM 1180 O GLN A 78 -1.409 -1.398 -4.361 1.00 0.07 O ATOM 1181 CB GLN A 78 1.204 -1.757 -5.952 1.00 0.08 C ATOM 1182 CG GLN A 78 2.545 -1.082 -6.241 1.00 0.12 C ATOM 1183 CD GLN A 78 3.618 -2.154 -6.445 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.446 -3.285 -6.037 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.725 -1.845 -7.063 1.00 1.03 N ATOM 0 H GLN A 78 0.479 0.320 -4.317 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.042 -0.505 -7.171 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.200 -2.164 -4.941 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.052 -2.594 -6.633 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.466 -0.457 -7.130 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.821 -0.427 -5.414 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.870 -0.895 -7.406 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.446 -2.553 -7.203 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.152 -1.640 -6.419 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.470 -2.169 -5.949 1.00 0.07 C ATOM 1196 C PHE A 79 -3.557 -3.658 -6.244 1.00 0.07 C ATOM 1197 O PHE A 79 -3.343 -4.099 -7.357 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.597 -1.433 -6.681 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.582 0.018 -6.261 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.541 0.850 -6.688 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.592 0.531 -5.432 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.500 2.201 -6.294 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.559 1.878 -5.028 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.513 2.715 -5.459 1.00 0.11 C ATOM 0 H PHE A 79 -2.051 -1.576 -7.432 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.566 -2.011 -4.875 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.464 -1.515 -7.760 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.560 -1.885 -6.443 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.764 0.453 -7.324 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.397 -0.110 -5.103 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.697 2.840 -6.630 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.336 2.269 -4.388 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.486 3.750 -5.151 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.874 -4.435 -5.243 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.990 -5.909 -5.421 1.00 0.08 C ATOM 1216 C PHE A 80 -5.362 -6.354 -4.931 1.00 0.11 C ATOM 1217 O PHE A 80 -5.992 -5.697 -4.124 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.907 -6.613 -4.598 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.567 -6.452 -5.277 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.187 -7.334 -6.308 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.697 -5.422 -4.877 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.065 -7.183 -6.936 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.553 -5.270 -5.505 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.935 -6.151 -6.534 1.00 0.14 C ATOM 0 H PHE A 80 -4.060 -4.104 -4.296 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.866 -6.165 -6.473 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.869 -6.192 -3.593 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.147 -7.671 -4.492 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.855 -8.125 -6.616 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.989 -4.747 -4.086 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.358 -7.859 -7.726 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.219 -4.477 -5.197 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.895 -6.036 -7.015 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.827 -7.466 -5.411 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.156 -7.972 -4.985 1.00 0.14 C ATOM 1236 C LYS A 81 -7.147 -9.488 -5.154 1.00 0.14 C ATOM 1237 O LYS A 81 -6.848 -9.994 -6.215 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.246 -7.337 -5.864 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.609 -7.411 -5.163 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.625 -6.565 -5.937 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.933 -6.491 -5.147 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.437 -7.870 -4.888 1.00 1.48 N ATOM 0 H LYS A 81 -5.339 -8.053 -6.087 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.362 -7.715 -3.946 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.994 -6.297 -6.073 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.295 -7.853 -6.823 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.947 -8.446 -5.109 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.524 -7.050 -4.138 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.230 -5.563 -6.101 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.805 -7.002 -6.919 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.772 -5.968 -4.204 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.675 -5.920 -5.705 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.468 -7.893 -5.019 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.989 -8.534 -5.552 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.206 -8.147 -3.913 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.446 -10.213 -4.112 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.432 -11.700 -4.204 1.00 0.20 C ATOM 1258 C LYS A 82 -6.052 -12.181 -4.672 1.00 0.20 C ATOM 1259 O LYS A 82 -5.904 -13.289 -5.150 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.507 -12.174 -5.197 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.879 -12.183 -4.520 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.942 -12.597 -5.540 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.335 -12.343 -4.963 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.368 -12.809 -5.932 1.00 1.67 N ATOM 0 H LYS A 82 -7.700 -9.839 -3.198 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.644 -12.117 -3.219 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.526 -11.517 -6.066 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.264 -13.173 -5.558 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.877 -12.875 -3.678 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.107 -11.195 -4.120 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.812 -12.034 -6.464 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.828 -13.652 -5.791 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.448 -12.868 -4.014 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.467 -11.281 -4.758 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.315 -12.636 -5.539 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.264 -12.289 -6.827 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.246 -13.827 -6.107 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.038 -11.368 -4.529 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.668 -11.792 -4.955 1.00 0.21 C ATOM 1280 C GLY A 83 -3.411 -11.379 -6.407 1.00 0.19 C ATOM 1281 O GLY A 83 -2.370 -11.672 -6.963 1.00 0.22 O ATOM 0 H GLY A 83 -5.098 -10.429 -4.136 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.921 -11.339 -4.303 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.566 -12.873 -4.854 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.347 -10.704 -7.028 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.158 -10.269 -8.455 1.00 0.17 C ATOM 1287 C GLN A 84 -3.993 -8.747 -8.523 1.00 0.16 C ATOM 1288 O GLN A 84 -4.555 -8.018 -7.731 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.389 -10.669 -9.269 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.660 -12.162 -9.081 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.927 -12.554 -9.843 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.904 -13.452 -10.661 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.040 -11.913 -9.608 1.00 2.08 N ATOM 0 H GLN A 84 -5.237 -10.433 -6.611 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.266 -10.748 -8.858 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.254 -10.088 -8.949 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.228 -10.447 -10.324 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.812 -12.744 -9.442 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.776 -12.390 -8.021 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.059 -11.159 -8.921 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.890 -12.166 -10.111 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.227 -8.264 -9.470 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.023 -6.789 -9.597 1.00 0.17 C ATOM 1304 C LYS A 85 -4.166 -6.190 -10.419 1.00 0.16 C ATOM 1305 O LYS A 85 -4.616 -6.775 -11.384 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.694 -6.510 -10.305 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.488 -4.994 -10.410 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.039 -4.679 -10.806 1.00 0.30 C ATOM 1309 CE LYS A 85 0.183 -5.024 -12.282 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.509 -4.502 -12.720 1.00 1.70 N ATOM 0 H LYS A 85 -2.734 -8.829 -10.161 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.006 -6.340 -8.604 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.871 -6.964 -9.752 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.696 -6.959 -11.298 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.173 -4.578 -11.149 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.722 -4.521 -9.456 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.173 -3.624 -10.634 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.650 -5.249 -10.182 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.140 -6.104 -12.425 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.610 -4.590 -12.891 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.660 -4.736 -13.722 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.533 -3.469 -12.598 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.260 -4.936 -12.146 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.646 -5.029 -10.036 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.773 -4.381 -10.784 1.00 0.16 C ATOM 1326 C VAL A 86 -5.403 -2.939 -11.153 1.00 0.18 C ATOM 1327 O VAL A 86 -6.157 -2.253 -11.815 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.020 -4.380 -9.898 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.512 -5.816 -9.721 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.674 -3.791 -8.528 1.00 0.17 C ATOM 0 H VAL A 86 -4.304 -4.500 -9.234 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.967 -4.938 -11.701 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.799 -3.778 -10.366 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.401 -5.821 -9.090 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.756 -6.240 -10.695 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.730 -6.413 -9.251 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.563 -3.791 -7.897 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.896 -4.394 -8.059 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.316 -2.769 -8.651 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.255 -2.471 -10.740 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.862 -1.069 -11.089 1.00 0.18 C ATOM 1342 C GLY A 87 -2.691 -0.602 -10.214 1.00 0.10 C ATOM 1343 O GLY A 87 -2.309 -1.257 -9.266 1.00 0.08 O ATOM 0 H GLY A 87 -3.577 -2.990 -10.182 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.581 -1.016 -12.141 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.713 -0.402 -10.952 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.119 0.537 -10.534 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.974 1.061 -9.733 1.00 0.10 C ATOM 1349 C GLU A 88 -0.605 2.469 -10.201 1.00 0.10 C ATOM 1350 O GLU A 88 -0.856 2.847 -11.329 1.00 0.11 O ATOM 1351 CB GLU A 88 0.243 0.138 -9.883 1.00 0.17 C ATOM 1352 CG GLU A 88 0.699 0.063 -11.348 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.401 -0.559 -12.210 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.515 -1.774 -12.203 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -1.110 0.190 -12.860 1.00 1.94 O ATOM 0 H GLU A 88 -2.400 1.125 -11.319 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.272 1.096 -8.685 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.061 0.504 -9.262 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.007 -0.861 -9.524 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.938 1.062 -11.714 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.610 -0.530 -11.423 1.00 0.25 H new ATOM 1362 N PHE A 89 0.002 3.248 -9.343 1.00 0.09 N ATOM 1363 CA PHE A 89 0.399 4.623 -9.749 1.00 0.09 C ATOM 1364 C PHE A 89 1.331 5.242 -8.702 1.00 0.09 C ATOM 1365 O PHE A 89 1.065 5.214 -7.521 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.850 5.503 -9.961 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.434 5.985 -8.641 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.786 6.996 -7.896 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.644 5.435 -8.165 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.343 7.445 -6.686 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.198 5.888 -6.954 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.549 6.893 -6.214 1.00 0.11 C ATOM 0 H PHE A 89 0.238 2.991 -8.385 1.00 0.09 H new ATOM 0 HA PHE A 89 0.939 4.565 -10.694 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.588 6.363 -10.578 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.605 4.937 -10.507 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.138 7.424 -8.257 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.145 4.665 -8.732 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.844 8.216 -6.117 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.123 5.464 -6.592 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.975 7.241 -5.285 1.00 0.11 H new ATOM 1382 N SER A 90 2.428 5.808 -9.135 1.00 0.13 N ATOM 1383 CA SER A 90 3.389 6.445 -8.179 1.00 0.14 C ATOM 1384 C SER A 90 3.191 7.961 -8.215 1.00 0.14 C ATOM 1385 O SER A 90 2.202 8.456 -8.718 1.00 0.17 O ATOM 1386 CB SER A 90 4.817 6.110 -8.604 1.00 0.15 C ATOM 1387 OG SER A 90 5.215 6.990 -9.648 1.00 0.16 O ATOM 0 H SER A 90 2.703 5.858 -10.116 1.00 0.13 H new ATOM 0 HA SER A 90 3.213 6.073 -7.170 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.493 6.205 -7.755 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.875 5.076 -8.943 1.00 0.15 H new ATOM 0 HG SER A 90 5.957 7.550 -9.339 1.00 0.16 H new ATOM 1393 N GLY A 91 4.122 8.704 -7.684 1.00 0.12 N ATOM 1394 CA GLY A 91 3.984 10.191 -7.686 1.00 0.13 C ATOM 1395 C GLY A 91 3.176 10.621 -6.462 1.00 0.13 C ATOM 1396 O GLY A 91 2.134 10.068 -6.170 1.00 0.13 O ATOM 0 H GLY A 91 4.973 8.348 -7.248 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.968 10.660 -7.670 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.488 10.521 -8.599 1.00 0.13 H new ATOM 1400 N ALA A 92 3.653 11.591 -5.734 1.00 0.15 N ATOM 1401 CA ALA A 92 2.912 12.036 -4.518 1.00 0.17 C ATOM 1402 C ALA A 92 1.516 12.556 -4.889 1.00 0.15 C ATOM 1403 O ALA A 92 1.346 13.706 -5.245 1.00 0.16 O ATOM 1404 CB ALA A 92 3.703 13.150 -3.813 1.00 0.20 C ATOM 0 H ALA A 92 4.519 12.094 -5.926 1.00 0.15 H new ATOM 0 HA ALA A 92 2.798 11.182 -3.850 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.161 13.475 -2.925 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.683 12.772 -3.522 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.826 13.994 -4.492 1.00 0.20 H new ATOM 1410 N ASN A 93 0.513 11.727 -4.776 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.882 12.173 -5.082 1.00 0.13 C ATOM 1412 C ASN A 93 -1.833 11.497 -4.091 1.00 0.12 C ATOM 1413 O ASN A 93 -2.494 10.526 -4.406 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.253 11.791 -6.519 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.416 12.666 -6.994 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.401 12.816 -6.298 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.343 13.254 -8.155 1.00 1.15 N ATOM 0 H ASN A 93 0.598 10.754 -4.483 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.958 13.256 -4.988 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.393 11.923 -7.175 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.532 10.738 -6.567 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.112 13.840 -8.479 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.516 13.128 -8.739 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.886 11.993 -2.885 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.770 11.379 -1.852 1.00 0.20 C ATOM 1426 C LYS A 94 -4.242 11.499 -2.260 1.00 0.18 C ATOM 1427 O LYS A 94 -5.045 10.637 -1.965 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.547 12.084 -0.503 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.383 13.613 -0.711 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.890 13.995 -0.739 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.360 14.154 0.692 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.713 15.510 1.203 1.00 1.19 N ATOM 0 H LYS A 94 -1.352 12.802 -2.568 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.521 10.322 -1.761 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.390 11.889 0.160 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.659 11.680 -0.017 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.859 13.912 -1.645 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.888 14.152 0.091 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.320 13.228 -1.263 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.755 14.925 -1.291 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.788 13.387 1.338 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.721 14.017 0.708 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.142 15.977 1.569 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.114 16.079 0.430 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.413 15.422 1.967 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.610 12.556 -2.928 1.00 0.19 N ATOM 1447 CA GLU A 95 -6.033 12.710 -3.335 1.00 0.20 C ATOM 1448 C GLU A 95 -6.390 11.613 -4.338 1.00 0.17 C ATOM 1449 O GLU A 95 -7.532 11.216 -4.463 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.227 14.080 -3.989 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.149 15.180 -2.927 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.620 16.504 -3.530 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.685 16.514 -4.124 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.907 17.484 -3.388 1.00 1.86 O ATOM 0 H GLU A 95 -3.990 13.316 -3.208 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.677 12.630 -2.459 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.463 14.241 -4.749 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.192 14.118 -4.494 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.769 14.917 -2.070 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.126 15.277 -2.563 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.417 11.117 -5.049 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.681 10.042 -6.045 1.00 0.14 C ATOM 1463 C LYS A 96 -6.069 8.761 -5.312 1.00 0.12 C ATOM 1464 O LYS A 96 -6.905 8.010 -5.762 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.421 9.802 -6.878 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.728 8.831 -8.025 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.595 8.865 -9.078 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.878 9.929 -10.153 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.753 11.292 -9.564 1.00 2.05 N ATOM 0 H LYS A 96 -4.443 11.412 -4.982 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.496 10.341 -6.704 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.054 10.747 -7.279 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.630 9.395 -6.248 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.839 7.820 -7.634 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.676 9.098 -8.492 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.645 9.080 -8.589 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.498 7.885 -9.546 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.179 9.816 -10.982 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.880 9.790 -10.560 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.675 11.994 -10.327 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.593 11.499 -8.988 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.904 11.335 -8.966 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.470 8.504 -4.181 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.820 7.268 -3.427 1.00 0.11 C ATOM 1485 C LEU A 97 -7.336 7.218 -3.241 1.00 0.11 C ATOM 1486 O LEU A 97 -7.947 6.168 -3.286 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.145 7.298 -2.046 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.675 6.876 -2.154 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.979 7.194 -0.826 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.567 5.363 -2.455 1.00 0.13 C ATOM 0 H LEU A 97 -4.758 9.093 -3.749 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.479 6.392 -3.978 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.211 8.301 -1.625 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.671 6.631 -1.364 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.198 7.420 -2.969 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.931 6.900 -0.885 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.045 8.264 -0.628 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.465 6.645 -0.020 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.517 5.081 -2.528 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.039 4.798 -1.652 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.069 5.143 -3.397 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.943 8.349 -3.024 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.421 8.378 -2.823 1.00 0.14 C ATOM 1504 C GLU A 98 -10.128 7.958 -4.116 1.00 0.13 C ATOM 1505 O GLU A 98 -10.888 7.010 -4.144 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.852 9.798 -2.448 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.369 9.839 -2.255 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.771 11.192 -1.664 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.382 12.202 -2.229 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.460 11.196 -0.656 1.00 2.05 O ATOM 0 H GLU A 98 -7.481 9.257 -2.977 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.691 7.687 -2.024 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.350 10.112 -1.533 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.556 10.497 -3.230 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.872 9.683 -3.209 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.684 9.033 -1.593 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.893 8.672 -5.182 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.553 8.342 -6.478 1.00 0.14 C ATOM 1519 C ALA A 99 -10.188 6.924 -6.931 1.00 0.12 C ATOM 1520 O ALA A 99 -11.015 6.201 -7.445 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.097 9.343 -7.541 1.00 0.15 C ATOM 0 H ALA A 99 -9.267 9.477 -5.212 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.633 8.397 -6.344 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.576 9.108 -8.492 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.375 10.351 -7.234 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.015 9.284 -7.656 1.00 0.15 H new ATOM 1527 N THR A 100 -8.954 6.527 -6.766 1.00 0.11 N ATOM 1528 CA THR A 100 -8.537 5.162 -7.213 1.00 0.11 C ATOM 1529 C THR A 100 -9.231 4.089 -6.373 1.00 0.10 C ATOM 1530 O THR A 100 -9.759 3.127 -6.894 1.00 0.11 O ATOM 1531 CB THR A 100 -7.020 5.023 -7.063 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.385 6.119 -7.703 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.559 3.717 -7.713 1.00 0.12 C ATOM 0 H THR A 100 -8.215 7.088 -6.341 1.00 0.11 H new ATOM 0 HA THR A 100 -8.822 5.029 -8.257 1.00 0.11 H new ATOM 0 HB THR A 100 -6.757 5.013 -6.005 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.496 6.926 -7.158 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.479 3.619 -7.606 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.050 2.875 -7.226 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.819 3.726 -8.771 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.236 4.241 -5.080 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.898 3.223 -4.214 1.00 0.11 C ATOM 1543 C ILE A 101 -11.380 3.140 -4.592 1.00 0.13 C ATOM 1544 O ILE A 101 -11.901 2.075 -4.851 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.742 3.641 -2.739 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.274 3.432 -2.308 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.663 2.792 -1.849 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.959 4.238 -1.038 1.00 0.18 C ATOM 0 H ILE A 101 -8.811 5.024 -4.584 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.439 2.245 -4.355 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.016 4.691 -2.631 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.091 2.373 -2.127 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.606 3.738 -3.114 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.545 3.096 -0.809 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.699 2.938 -2.154 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.399 1.739 -1.952 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.920 4.076 -0.753 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.121 5.299 -1.231 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.613 3.912 -0.229 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.060 4.251 -4.627 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.506 4.231 -4.986 1.00 0.17 C ATOM 1562 C ASN A 102 -13.678 3.679 -6.405 1.00 0.18 C ATOM 1563 O ASN A 102 -14.761 3.301 -6.806 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.059 5.658 -4.925 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.587 5.616 -4.915 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.179 4.558 -4.998 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.258 6.730 -4.816 1.00 1.03 N ATOM 0 H ASN A 102 -11.677 5.174 -4.422 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.046 3.595 -4.285 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.693 6.163 -4.031 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.707 6.232 -5.782 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.278 6.712 -4.808 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.763 7.619 -4.746 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.621 3.638 -7.169 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.725 3.121 -8.565 1.00 0.18 C ATOM 1576 C GLU A 103 -12.783 1.590 -8.563 1.00 0.19 C ATOM 1577 O GLU A 103 -13.688 0.991 -9.110 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.495 3.578 -9.363 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.798 3.511 -10.863 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.594 4.029 -11.652 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.850 4.826 -11.104 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.438 3.621 -12.791 1.00 2.01 O ATOM 0 H GLU A 103 -11.688 3.940 -6.887 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.636 3.509 -9.021 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.225 4.596 -9.082 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.640 2.945 -9.126 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.022 2.485 -11.154 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.681 4.108 -11.093 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.805 0.954 -7.976 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.768 -0.540 -7.956 1.00 0.19 C ATOM 1591 C LEU A 104 -12.431 -1.076 -6.686 1.00 0.19 C ATOM 1592 O LEU A 104 -12.301 -2.239 -6.358 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.308 -1.000 -7.995 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.541 -0.210 -9.062 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.077 -0.651 -9.072 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.163 -0.468 -10.438 1.00 0.35 C ATOM 0 H LEU A 104 -11.023 1.408 -7.505 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.310 -0.921 -8.822 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.845 -0.854 -7.019 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.259 -2.067 -8.214 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.597 0.854 -8.833 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.533 -0.089 -9.831 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.634 -0.463 -8.094 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.019 -1.716 -9.298 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.617 0.094 -11.195 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.110 -1.532 -10.668 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.205 -0.150 -10.431 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.141 -0.252 -5.967 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.801 -0.747 -4.727 1.00 0.22 C ATOM 1610 C VAL A 105 -14.843 -1.806 -5.094 1.00 0.26 C ATOM 1611 O VAL A 105 -15.391 -1.717 -6.180 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.491 0.411 -4.003 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.580 0.999 -4.901 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.122 -0.105 -2.707 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.074 -2.687 -4.282 1.00 1.18 O ATOM 0 H VAL A 105 -13.292 0.734 -6.181 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.047 -1.182 -4.071 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.758 1.183 -3.770 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.071 1.824 -4.385 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.132 1.365 -5.825 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.315 0.228 -5.134 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.614 0.718 -2.189 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.855 -0.877 -2.941 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.346 -0.524 -2.066 1.00 0.27 H new ATOM 1692 N ARG B 4 18.158 3.429 -1.601 1.00 0.00 N ATOM 1693 CA ARG B 4 17.691 2.672 -2.802 1.00 0.00 C ATOM 1694 C ARG B 4 17.702 3.609 -4.025 1.00 0.00 C ATOM 1695 O ARG B 4 18.730 3.812 -4.638 1.00 0.00 O ATOM 1696 CB ARG B 4 16.266 2.137 -2.534 1.00 0.00 C ATOM 1697 CG ARG B 4 16.317 0.673 -2.067 1.00 0.00 C ATOM 1698 CD ARG B 4 16.847 -0.243 -3.194 1.00 0.00 C ATOM 1699 NE ARG B 4 15.996 -1.464 -3.279 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.086 -2.251 -4.317 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.939 -1.982 -5.268 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.327 -3.309 -4.403 1.00 0.00 N ATOM 0 HA ARG B 4 18.352 1.829 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.778 2.750 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.666 2.215 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG B 4 16.959 0.588 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.321 0.348 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.836 0.289 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.882 -0.521 -2.996 1.00 0.00 H new ATOM 0 HE ARG B 4 15.344 -1.685 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.535 -1.157 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.009 -2.597 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.663 -3.522 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.398 -3.923 -5.214 1.00 0.00 H new ATOM 1716 N TYR B 5 16.568 4.177 -4.383 1.00 0.00 N ATOM 1717 CA TYR B 5 16.514 5.102 -5.568 1.00 0.00 C ATOM 1718 C TYR B 5 15.850 6.434 -5.183 1.00 0.00 C ATOM 1719 O TYR B 5 15.710 6.760 -4.021 1.00 0.00 O ATOM 1720 CB TYR B 5 15.767 4.426 -6.735 1.00 0.00 C ATOM 1721 CG TYR B 5 14.605 3.607 -6.232 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.798 2.269 -5.827 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.322 4.174 -6.189 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.704 1.507 -5.371 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.233 3.412 -5.736 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.422 2.081 -5.326 1.00 0.00 C ATOM 1727 OH TYR B 5 11.348 1.341 -4.880 1.00 0.00 O ATOM 0 H TYR B 5 15.677 4.039 -3.905 1.00 0.00 H new ATOM 0 HA TYR B 5 17.532 5.318 -5.893 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.408 5.185 -7.430 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.454 3.787 -7.289 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.784 1.829 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.172 5.196 -6.504 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.850 0.484 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.247 3.850 -5.703 1.00 0.00 H new ATOM 0 HH TYR B 5 11.660 0.463 -4.575 1.00 0.00 H new ATOM 1737 N VAL B 6 15.495 7.228 -6.161 1.00 0.00 N ATOM 1738 CA VAL B 6 14.902 8.574 -5.884 1.00 0.00 C ATOM 1739 C VAL B 6 13.483 8.487 -5.315 1.00 0.00 C ATOM 1740 O VAL B 6 12.680 7.672 -5.723 1.00 0.00 O ATOM 1741 CB VAL B 6 14.848 9.372 -7.192 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.744 10.865 -6.883 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.111 9.110 -8.003 1.00 0.00 C ATOM 0 H VAL B 6 15.591 7.000 -7.150 1.00 0.00 H new ATOM 0 HA VAL B 6 15.533 9.060 -5.140 1.00 0.00 H new ATOM 0 HB VAL B 6 13.975 9.060 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.706 11.428 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.838 11.055 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.614 11.178 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.071 9.678 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.984 9.418 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.183 8.046 -8.231 1.00 0.00 H new ATOM 1753 N CYS B 7 13.164 9.374 -4.402 1.00 0.00 N ATOM 1754 CA CYS B 7 11.788 9.420 -3.822 1.00 0.00 C ATOM 1755 C CYS B 7 11.028 10.567 -4.483 1.00 0.00 C ATOM 1756 O CYS B 7 11.129 11.706 -4.071 1.00 0.00 O ATOM 1757 CB CYS B 7 11.853 9.663 -2.308 1.00 0.00 C ATOM 1758 SG CYS B 7 13.167 8.664 -1.570 1.00 0.00 S ATOM 0 H CYS B 7 13.807 10.074 -4.032 1.00 0.00 H new ATOM 0 HA CYS B 7 11.285 8.470 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.034 10.719 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.896 9.413 -1.851 1.00 0.00 H new ATOM 1763 N GLU B 8 10.276 10.291 -5.515 1.00 0.00 N ATOM 1764 CA GLU B 8 9.533 11.392 -6.192 1.00 0.00 C ATOM 1765 C GLU B 8 8.224 11.677 -5.452 1.00 0.00 C ATOM 1766 O GLU B 8 7.171 11.838 -6.050 1.00 0.00 O ATOM 1767 CB GLU B 8 9.237 11.013 -7.645 1.00 0.00 C ATOM 1768 CG GLU B 8 8.799 9.552 -7.719 1.00 0.00 C ATOM 1769 CD GLU B 8 8.149 9.290 -9.079 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.783 9.576 -10.080 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.029 8.805 -9.096 1.00 0.00 O ATOM 0 H GLU B 8 10.145 9.362 -5.915 1.00 0.00 H new ATOM 0 HA GLU B 8 10.151 12.290 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.455 11.657 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.124 11.168 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.658 8.895 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.095 9.330 -6.917 1.00 0.00 H new ATOM 1778 N GLY B 9 8.289 11.779 -4.156 1.00 0.00 N ATOM 1779 CA GLY B 9 7.065 12.101 -3.381 1.00 0.00 C ATOM 1780 C GLY B 9 6.743 13.582 -3.657 1.00 0.00 C ATOM 1781 O GLY B 9 6.800 13.987 -4.802 1.00 0.00 O ATOM 0 H GLY B 9 9.136 11.653 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.236 11.462 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.225 11.932 -2.316 1.00 0.00 H new ATOM 1785 N PRO B 10 6.440 14.378 -2.646 1.00 0.00 N ATOM 1786 CA PRO B 10 6.163 15.806 -2.880 1.00 0.00 C ATOM 1787 C PRO B 10 7.466 16.508 -3.300 1.00 0.00 C ATOM 1788 O PRO B 10 7.652 17.688 -3.073 1.00 0.00 O ATOM 1789 CB PRO B 10 5.642 16.342 -1.524 1.00 0.00 C ATOM 1790 CG PRO B 10 5.770 15.186 -0.488 1.00 0.00 C ATOM 1791 CD PRO B 10 6.331 13.953 -1.234 1.00 0.00 C ATOM 0 HA PRO B 10 5.436 15.980 -3.673 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.221 17.209 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.605 16.666 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.432 15.474 0.328 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.800 14.958 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.301 13.658 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.669 13.094 -1.130 1.00 0.00 H new ATOM 1799 N SER B 11 8.369 15.780 -3.907 1.00 0.00 N ATOM 1800 CA SER B 11 9.664 16.374 -4.341 1.00 0.00 C ATOM 1801 C SER B 11 9.525 16.930 -5.761 1.00 0.00 C ATOM 1802 O SER B 11 10.333 17.718 -6.211 1.00 0.00 O ATOM 1803 CB SER B 11 10.742 15.283 -4.324 1.00 0.00 C ATOM 1804 OG SER B 11 12.025 15.890 -4.399 1.00 0.00 O ATOM 0 H SER B 11 8.260 14.789 -4.121 1.00 0.00 H new ATOM 0 HA SER B 11 9.943 17.182 -3.665 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.661 14.689 -3.414 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.600 14.602 -5.163 1.00 0.00 H new ATOM 0 HG SER B 11 12.717 15.196 -4.387 1.00 0.00 H new