USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -163:sc= -2.97! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00316 USER MOD Single : A 29 TYR OH : rot 175:sc= 0.618 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.119 (180deg=-0.535) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.733 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.01 K(o=-1,f=-0.25) USER MOD Single : A 70 ASN : amide:sc= -1.03 K(o=-1,f=-0.19) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= -1.06 (180deg=-1.16) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -10.650 -1.403 -19.963 1.00 0.00 N ATOM 44 CA VAL A 4 -10.802 -1.125 -18.506 1.00 0.00 C ATOM 45 C VAL A 4 -10.387 0.319 -18.217 1.00 0.00 C ATOM 46 O VAL A 4 -10.174 1.107 -19.118 1.00 0.00 O ATOM 47 CB VAL A 4 -9.913 -2.081 -17.709 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.644 -3.408 -17.506 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.614 -2.328 -18.480 1.00 0.00 C ATOM 0 HA VAL A 4 -11.842 -1.269 -18.215 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.684 -1.641 -16.739 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.010 -4.089 -16.938 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.570 -3.233 -16.959 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.873 -3.849 -18.476 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.979 -3.009 -17.914 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.845 -2.769 -19.450 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.092 -1.382 -18.626 1.00 0.00 H new ATOM 59 N THR A 5 -10.271 0.673 -16.966 1.00 0.00 N ATOM 60 CA THR A 5 -9.871 2.066 -16.620 1.00 0.00 C ATOM 61 C THR A 5 -8.426 2.070 -16.115 1.00 0.00 C ATOM 62 O THR A 5 -7.860 1.037 -15.817 1.00 0.00 O ATOM 63 CB THR A 5 -10.796 2.605 -15.526 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.146 2.347 -15.881 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.585 4.112 -15.374 1.00 0.00 C ATOM 0 H THR A 5 -10.436 0.058 -16.169 1.00 0.00 H new ATOM 0 HA THR A 5 -9.949 2.698 -17.505 1.00 0.00 H new ATOM 0 HB THR A 5 -10.568 2.112 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.740 2.690 -15.181 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.244 4.495 -14.595 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.548 4.309 -15.101 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.812 4.608 -16.318 1.00 0.00 H new ATOM 73 N LYS A 6 -7.826 3.225 -16.016 1.00 0.00 N ATOM 74 CA LYS A 6 -6.419 3.294 -15.531 1.00 0.00 C ATOM 75 C LYS A 6 -6.322 4.311 -14.392 1.00 0.00 C ATOM 76 O LYS A 6 -6.983 5.329 -14.399 1.00 0.00 O ATOM 77 CB LYS A 6 -5.504 3.725 -16.679 1.00 0.00 C ATOM 78 CG LYS A 6 -4.727 2.513 -17.196 1.00 0.00 C ATOM 79 CD LYS A 6 -3.856 2.932 -18.382 1.00 0.00 C ATOM 80 CE LYS A 6 -2.464 3.321 -17.881 1.00 0.00 C ATOM 81 NZ LYS A 6 -1.577 3.599 -19.045 1.00 0.00 N ATOM 0 H LYS A 6 -8.249 4.123 -16.250 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.111 2.313 -15.170 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.095 4.162 -17.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.812 4.495 -16.337 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.104 2.101 -16.402 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.418 1.727 -17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.781 2.114 -19.098 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.314 3.772 -18.904 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.529 4.201 -17.241 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.046 2.517 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.630 3.864 -18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.506 2.748 -19.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.974 4.380 -19.605 1.00 0.00 H new ATOM 95 N TYR A 7 -5.501 4.042 -13.413 1.00 0.00 N ATOM 96 CA TYR A 7 -5.362 4.994 -12.275 1.00 0.00 C ATOM 97 C TYR A 7 -3.895 5.404 -12.129 1.00 0.00 C ATOM 98 O TYR A 7 -3.048 4.602 -11.791 1.00 0.00 O ATOM 99 CB TYR A 7 -5.834 4.319 -10.985 1.00 0.00 C ATOM 100 CG TYR A 7 -7.162 4.903 -10.565 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.217 4.974 -11.482 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.337 5.374 -9.259 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.448 5.515 -11.093 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.569 5.916 -8.869 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.623 5.986 -9.786 1.00 0.00 C ATOM 106 OH TYR A 7 -10.837 6.520 -9.403 1.00 0.00 O ATOM 0 H TYR A 7 -4.921 3.205 -13.352 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.969 5.879 -12.465 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.930 3.244 -11.139 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.096 4.463 -10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.081 4.611 -12.490 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.523 5.320 -8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.262 5.569 -11.800 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.705 6.279 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.721 7.037 -8.579 1.00 0.00 H new ATOM 116 N PHE A 8 -3.588 6.647 -12.382 1.00 0.00 N ATOM 117 CA PHE A 8 -2.176 7.105 -12.259 1.00 0.00 C ATOM 118 C PHE A 8 -1.879 7.451 -10.798 1.00 0.00 C ATOM 119 O PHE A 8 -2.775 7.617 -9.994 1.00 0.00 O ATOM 120 CB PHE A 8 -1.964 8.345 -13.129 1.00 0.00 C ATOM 121 CG PHE A 8 -2.099 7.967 -14.585 1.00 0.00 C ATOM 122 CD1 PHE A 8 -3.369 7.773 -15.142 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.956 7.810 -15.376 1.00 0.00 C ATOM 124 CE1 PHE A 8 -3.495 7.423 -16.492 1.00 0.00 C ATOM 125 CE2 PHE A 8 -1.081 7.459 -16.726 1.00 0.00 C ATOM 126 CZ PHE A 8 -2.351 7.265 -17.283 1.00 0.00 C ATOM 0 H PHE A 8 -4.254 7.365 -12.668 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.506 6.311 -12.589 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.695 9.112 -12.872 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.977 8.769 -12.942 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.251 7.893 -14.531 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.023 7.960 -14.946 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.474 7.275 -16.923 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.199 7.338 -17.337 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.448 6.993 -18.324 1.00 0.00 H new ATOM 136 N TYR A 9 -0.626 7.561 -10.448 1.00 0.00 N ATOM 137 CA TYR A 9 -0.273 7.896 -9.040 1.00 0.00 C ATOM 138 C TYR A 9 1.096 8.580 -9.006 1.00 0.00 C ATOM 139 O TYR A 9 2.046 8.119 -9.605 1.00 0.00 O ATOM 140 CB TYR A 9 -0.222 6.613 -8.208 1.00 0.00 C ATOM 141 CG TYR A 9 0.106 6.954 -6.774 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.909 7.372 -5.905 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.424 6.853 -6.314 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.605 7.689 -4.575 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.728 7.170 -4.985 1.00 0.00 C ATOM 146 CZ TYR A 9 0.714 7.588 -4.116 1.00 0.00 C ATOM 147 OH TYR A 9 1.013 7.901 -2.805 1.00 0.00 O ATOM 0 H TYR A 9 0.167 7.433 -11.076 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.025 8.568 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.180 6.095 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.529 5.935 -8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.926 7.450 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.207 6.530 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.387 8.011 -3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.745 7.092 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 9 1.973 7.777 -2.650 1.00 0.00 H new ATOM 157 N LYS A 10 1.202 9.678 -8.309 1.00 0.00 N ATOM 158 CA LYS A 10 2.509 10.390 -8.237 1.00 0.00 C ATOM 159 C LYS A 10 3.081 10.268 -6.824 1.00 0.00 C ATOM 160 O LYS A 10 2.544 10.810 -5.878 1.00 0.00 O ATOM 161 CB LYS A 10 2.304 11.868 -8.579 1.00 0.00 C ATOM 162 CG LYS A 10 3.657 12.582 -8.593 1.00 0.00 C ATOM 163 CD LYS A 10 3.569 13.828 -9.475 1.00 0.00 C ATOM 164 CE LYS A 10 4.933 14.518 -9.524 1.00 0.00 C ATOM 165 NZ LYS A 10 4.741 15.993 -9.621 1.00 0.00 N ATOM 0 H LYS A 10 0.441 10.112 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 10 3.204 9.945 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.821 11.963 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.643 12.333 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.943 12.861 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.430 11.912 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.253 13.552 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.818 14.512 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.508 14.273 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.504 14.158 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.668 16.462 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.208 16.218 -10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.212 16.330 -8.791 1.00 0.00 H new ATOM 179 N GLY A 11 4.166 9.560 -6.671 1.00 0.00 N ATOM 180 CA GLY A 11 4.771 9.404 -5.318 1.00 0.00 C ATOM 181 C GLY A 11 5.564 10.663 -4.965 1.00 0.00 C ATOM 182 O GLY A 11 5.234 11.755 -5.386 1.00 0.00 O ATOM 0 H GLY A 11 4.660 9.082 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.990 9.233 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.425 8.532 -5.299 1.00 0.00 H new ATOM 186 N GLU A 12 6.606 10.522 -4.193 1.00 0.00 N ATOM 187 CA GLU A 12 7.418 11.712 -3.813 1.00 0.00 C ATOM 188 C GLU A 12 8.361 12.074 -4.963 1.00 0.00 C ATOM 189 O GLU A 12 8.466 13.220 -5.355 1.00 0.00 O ATOM 190 CB GLU A 12 8.239 11.391 -2.563 1.00 0.00 C ATOM 191 CG GLU A 12 7.375 11.593 -1.318 1.00 0.00 C ATOM 192 CD GLU A 12 7.672 10.486 -0.304 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.800 10.020 -0.281 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.769 10.125 0.431 1.00 0.00 O ATOM 0 H GLU A 12 6.930 9.634 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 12 6.756 12.553 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.599 10.363 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.117 12.035 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.578 12.569 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.319 11.579 -1.589 1.00 0.00 H new ATOM 201 N ASN A 13 9.046 11.108 -5.508 1.00 0.00 N ATOM 202 CA ASN A 13 9.980 11.398 -6.632 1.00 0.00 C ATOM 203 C ASN A 13 9.709 10.431 -7.787 1.00 0.00 C ATOM 204 O ASN A 13 9.966 10.733 -8.935 1.00 0.00 O ATOM 205 CB ASN A 13 11.423 11.227 -6.153 1.00 0.00 C ATOM 206 CG ASN A 13 12.254 12.435 -6.589 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.855 12.424 -7.645 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.312 13.485 -5.816 1.00 0.00 N ATOM 0 H ASN A 13 9.000 10.130 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 13 9.828 12.422 -6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.447 11.128 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.848 10.312 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.862 14.296 -6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.807 13.494 -4.930 1.00 0.00 H new ATOM 215 N THR A 14 9.192 9.269 -7.492 1.00 0.00 N ATOM 216 CA THR A 14 8.907 8.285 -8.574 1.00 0.00 C ATOM 217 C THR A 14 7.399 8.230 -8.829 1.00 0.00 C ATOM 218 O THR A 14 6.602 8.592 -7.985 1.00 0.00 O ATOM 219 CB THR A 14 9.402 6.901 -8.147 1.00 0.00 C ATOM 220 OG1 THR A 14 10.232 7.030 -7.001 1.00 0.00 O ATOM 221 CG2 THR A 14 10.202 6.270 -9.289 1.00 0.00 C ATOM 0 H THR A 14 8.955 8.959 -6.549 1.00 0.00 H new ATOM 0 HA THR A 14 9.419 8.589 -9.487 1.00 0.00 H new ATOM 0 HB THR A 14 8.549 6.266 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.549 6.145 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.555 5.284 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.566 6.172 -10.169 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.056 6.903 -9.528 1.00 0.00 H new ATOM 229 N ASP A 15 7.000 7.780 -9.987 1.00 0.00 N ATOM 230 CA ASP A 15 5.544 7.703 -10.296 1.00 0.00 C ATOM 231 C ASP A 15 5.133 6.237 -10.448 1.00 0.00 C ATOM 232 O ASP A 15 5.940 5.387 -10.770 1.00 0.00 O ATOM 233 CB ASP A 15 5.259 8.451 -11.600 1.00 0.00 C ATOM 234 CG ASP A 15 3.752 8.464 -11.862 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.149 7.406 -11.789 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.227 9.531 -12.132 1.00 0.00 O ATOM 0 H ASP A 15 7.619 7.462 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 15 4.975 8.158 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.637 9.472 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.779 7.970 -12.429 1.00 0.00 H new ATOM 241 N LEU A 16 3.885 5.933 -10.219 1.00 0.00 N ATOM 242 CA LEU A 16 3.426 4.522 -10.351 1.00 0.00 C ATOM 243 C LEU A 16 2.072 4.490 -11.065 1.00 0.00 C ATOM 244 O LEU A 16 1.344 5.462 -11.078 1.00 0.00 O ATOM 245 CB LEU A 16 3.283 3.900 -8.960 1.00 0.00 C ATOM 246 CG LEU A 16 4.668 3.556 -8.409 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.533 3.029 -6.980 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.313 2.483 -9.289 1.00 0.00 C ATOM 0 H LEU A 16 3.164 6.601 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 16 4.156 3.956 -10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.776 4.594 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.668 3.002 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 16 5.291 4.450 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.520 2.784 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.072 3.792 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.910 2.135 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.300 2.237 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.689 1.589 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.410 2.858 -10.308 1.00 0.00 H new ATOM 260 N ILE A 17 1.731 3.378 -11.656 1.00 0.00 N ATOM 261 CA ILE A 17 0.424 3.284 -12.368 1.00 0.00 C ATOM 262 C ILE A 17 -0.262 1.967 -11.997 1.00 0.00 C ATOM 263 O ILE A 17 0.383 0.985 -11.689 1.00 0.00 O ATOM 264 CB ILE A 17 0.662 3.328 -13.878 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.598 4.492 -14.211 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.673 3.524 -14.599 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.799 4.568 -15.727 1.00 0.00 C ATOM 0 H ILE A 17 2.299 2.531 -11.677 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.211 4.120 -12.077 1.00 0.00 H new ATOM 0 HB ILE A 17 1.116 2.392 -14.203 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.178 5.428 -13.842 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.558 4.355 -13.713 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.504 3.555 -15.675 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.340 2.696 -14.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.127 4.461 -14.276 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.466 5.397 -15.965 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.238 3.636 -16.083 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.837 4.725 -16.214 1.00 0.00 H new ATOM 279 N VAL A 18 -1.566 1.939 -12.026 1.00 0.00 N ATOM 280 CA VAL A 18 -2.292 0.684 -11.675 1.00 0.00 C ATOM 281 C VAL A 18 -3.515 0.531 -12.581 1.00 0.00 C ATOM 282 O VAL A 18 -3.832 1.404 -13.365 1.00 0.00 O ATOM 283 CB VAL A 18 -2.743 0.749 -10.215 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.674 0.120 -9.321 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.950 2.210 -9.811 1.00 0.00 C ATOM 0 H VAL A 18 -2.160 2.729 -12.277 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.630 -0.170 -11.813 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.679 0.203 -10.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.996 0.167 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.526 -0.921 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.737 0.665 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.271 2.258 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.014 2.756 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.713 2.659 -10.447 1.00 0.00 H new ATOM 295 N PHE A 19 -4.203 -0.573 -12.481 1.00 0.00 N ATOM 296 CA PHE A 19 -5.405 -0.782 -13.336 1.00 0.00 C ATOM 297 C PHE A 19 -6.653 -0.847 -12.454 1.00 0.00 C ATOM 298 O PHE A 19 -6.585 -1.186 -11.289 1.00 0.00 O ATOM 299 CB PHE A 19 -5.258 -2.094 -14.110 1.00 0.00 C ATOM 300 CG PHE A 19 -4.629 -1.818 -15.454 1.00 0.00 C ATOM 301 CD1 PHE A 19 -5.423 -1.379 -16.522 1.00 0.00 C ATOM 302 CD2 PHE A 19 -3.253 -2.003 -15.635 1.00 0.00 C ATOM 303 CE1 PHE A 19 -4.839 -1.125 -17.769 1.00 0.00 C ATOM 304 CE2 PHE A 19 -2.670 -1.747 -16.882 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.463 -1.308 -17.949 1.00 0.00 C ATOM 0 H PHE A 19 -3.985 -1.339 -11.844 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.500 0.046 -14.039 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.643 -2.795 -13.546 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.234 -2.562 -14.242 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.485 -1.237 -16.383 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.641 -2.343 -14.813 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.451 -0.788 -18.593 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.608 -1.888 -17.021 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.013 -1.111 -18.911 1.00 0.00 H new ATOM 315 N ALA A 20 -7.794 -0.526 -13.000 1.00 0.00 N ATOM 316 CA ALA A 20 -9.045 -0.569 -12.191 1.00 0.00 C ATOM 317 C ALA A 20 -10.163 -1.210 -13.015 1.00 0.00 C ATOM 318 O ALA A 20 -10.077 -1.313 -14.223 1.00 0.00 O ATOM 319 CB ALA A 20 -9.450 0.853 -11.800 1.00 0.00 C ATOM 0 H ALA A 20 -7.914 -0.236 -13.971 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.874 -1.158 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.365 0.821 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.654 1.310 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.621 1.443 -12.700 1.00 0.00 H new ATOM 325 N ALA A 21 -11.213 -1.643 -12.372 1.00 0.00 N ATOM 326 CA ALA A 21 -12.335 -2.277 -13.119 1.00 0.00 C ATOM 327 C ALA A 21 -13.261 -1.189 -13.669 1.00 0.00 C ATOM 328 O ALA A 21 -13.388 -1.015 -14.864 1.00 0.00 O ATOM 329 CB ALA A 21 -13.124 -3.190 -12.178 1.00 0.00 C ATOM 0 H ALA A 21 -11.342 -1.585 -11.362 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.935 -2.865 -13.945 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.945 -3.654 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.465 -3.965 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.524 -2.602 -11.352 1.00 0.00 H new ATOM 335 N SER A 22 -13.908 -0.456 -12.805 1.00 0.00 N ATOM 336 CA SER A 22 -14.825 0.619 -13.279 1.00 0.00 C ATOM 337 C SER A 22 -14.745 1.813 -12.327 1.00 0.00 C ATOM 338 O SER A 22 -14.870 1.672 -11.127 1.00 0.00 O ATOM 339 CB SER A 22 -16.258 0.088 -13.313 1.00 0.00 C ATOM 340 OG SER A 22 -16.239 -1.326 -13.170 1.00 0.00 O ATOM 0 H SER A 22 -13.841 -0.555 -11.792 1.00 0.00 H new ATOM 0 HA SER A 22 -14.531 0.933 -14.280 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.844 0.538 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.738 0.364 -14.252 1.00 0.00 H new ATOM 0 HG SER A 22 -17.157 -1.669 -13.190 1.00 0.00 H new ATOM 346 N GLU A 23 -14.538 2.990 -12.852 1.00 0.00 N ATOM 347 CA GLU A 23 -14.450 4.191 -11.975 1.00 0.00 C ATOM 348 C GLU A 23 -15.602 4.172 -10.968 1.00 0.00 C ATOM 349 O GLU A 23 -15.437 4.525 -9.816 1.00 0.00 O ATOM 350 CB GLU A 23 -14.545 5.456 -12.832 1.00 0.00 C ATOM 351 CG GLU A 23 -13.530 6.487 -12.334 1.00 0.00 C ATOM 352 CD GLU A 23 -13.839 7.850 -12.954 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.939 7.917 -14.169 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.972 8.804 -12.205 1.00 0.00 O ATOM 0 H GLU A 23 -14.426 3.171 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.499 4.183 -11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.352 5.215 -13.877 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.553 5.868 -12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.567 6.554 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.520 6.176 -12.600 1.00 0.00 H new ATOM 361 N GLU A 24 -16.765 3.762 -11.391 1.00 0.00 N ATOM 362 CA GLU A 24 -17.926 3.720 -10.456 1.00 0.00 C ATOM 363 C GLU A 24 -17.515 3.009 -9.165 1.00 0.00 C ATOM 364 O GLU A 24 -17.544 3.581 -8.094 1.00 0.00 O ATOM 365 CB GLU A 24 -19.081 2.960 -11.111 1.00 0.00 C ATOM 366 CG GLU A 24 -19.337 3.527 -12.510 1.00 0.00 C ATOM 367 CD GLU A 24 -20.841 3.545 -12.787 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.563 4.126 -11.992 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.247 2.977 -13.788 1.00 0.00 O ATOM 0 H GLU A 24 -16.963 3.454 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.244 4.737 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.842 1.899 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.980 3.048 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.931 4.536 -12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.826 2.921 -13.258 1.00 0.00 H new ATOM 376 N LEU A 25 -17.132 1.764 -9.258 1.00 0.00 N ATOM 377 CA LEU A 25 -16.720 1.019 -8.036 1.00 0.00 C ATOM 378 C LEU A 25 -15.754 1.876 -7.216 1.00 0.00 C ATOM 379 O LEU A 25 -16.011 2.198 -6.074 1.00 0.00 O ATOM 380 CB LEU A 25 -16.027 -0.284 -8.442 1.00 0.00 C ATOM 381 CG LEU A 25 -16.968 -1.111 -9.319 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.174 -2.212 -10.023 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.052 -1.746 -8.445 1.00 0.00 C ATOM 0 H LEU A 25 -17.087 1.232 -10.127 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.601 0.791 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.107 -0.065 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.748 -0.851 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.432 -0.464 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.845 -2.801 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.400 -1.762 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.710 -2.859 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.723 -2.336 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.587 -2.392 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.619 -0.963 -7.942 1.00 0.00 H new ATOM 395 N VAL A 26 -14.643 2.249 -7.791 1.00 0.00 N ATOM 396 CA VAL A 26 -13.661 3.085 -7.045 1.00 0.00 C ATOM 397 C VAL A 26 -14.409 4.103 -6.183 1.00 0.00 C ATOM 398 O VAL A 26 -14.113 4.282 -5.019 1.00 0.00 O ATOM 399 CB VAL A 26 -12.760 3.820 -8.038 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.807 4.743 -7.277 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.949 2.801 -8.841 1.00 0.00 C ATOM 0 H VAL A 26 -14.373 2.011 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.051 2.447 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.375 4.412 -8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.165 5.267 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.384 5.469 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.192 4.152 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.306 3.324 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.335 2.209 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.627 2.143 -9.384 1.00 0.00 H new ATOM 411 N ASP A 27 -15.378 4.773 -6.745 1.00 0.00 N ATOM 412 CA ASP A 27 -16.144 5.779 -5.956 1.00 0.00 C ATOM 413 C ASP A 27 -16.763 5.103 -4.731 1.00 0.00 C ATOM 414 O ASP A 27 -16.690 5.610 -3.629 1.00 0.00 O ATOM 415 CB ASP A 27 -17.255 6.371 -6.827 1.00 0.00 C ATOM 416 CG ASP A 27 -17.500 7.826 -6.422 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.665 8.657 -6.739 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.518 8.085 -5.803 1.00 0.00 O ATOM 0 H ASP A 27 -15.672 4.667 -7.716 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.473 6.574 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.975 6.317 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.171 5.791 -6.711 1.00 0.00 H new ATOM 423 N GLU A 28 -17.370 3.963 -4.914 1.00 0.00 N ATOM 424 CA GLU A 28 -17.992 3.257 -3.759 1.00 0.00 C ATOM 425 C GLU A 28 -16.911 2.897 -2.738 1.00 0.00 C ATOM 426 O GLU A 28 -17.065 3.114 -1.553 1.00 0.00 O ATOM 427 CB GLU A 28 -18.676 1.979 -4.250 1.00 0.00 C ATOM 428 CG GLU A 28 -20.186 2.206 -4.331 1.00 0.00 C ATOM 429 CD GLU A 28 -20.783 1.291 -5.401 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.425 1.451 -6.557 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.590 0.446 -5.049 1.00 0.00 O ATOM 0 H GLU A 28 -17.462 3.490 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.731 3.908 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.287 1.699 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.458 1.154 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.647 2.002 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.395 3.248 -4.571 1.00 0.00 H new ATOM 438 N TYR A 29 -15.816 2.348 -3.189 1.00 0.00 N ATOM 439 CA TYR A 29 -14.726 1.975 -2.244 1.00 0.00 C ATOM 440 C TYR A 29 -14.456 3.141 -1.290 1.00 0.00 C ATOM 441 O TYR A 29 -14.456 2.982 -0.085 1.00 0.00 O ATOM 442 CB TYR A 29 -13.454 1.657 -3.032 1.00 0.00 C ATOM 443 CG TYR A 29 -12.472 0.941 -2.136 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.531 -0.452 -2.004 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.503 1.669 -1.437 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.621 -1.116 -1.173 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.593 1.006 -0.606 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.652 -0.387 -0.474 1.00 0.00 C ATOM 449 OH TYR A 29 -9.755 -1.041 0.345 1.00 0.00 O ATOM 0 H TYR A 29 -15.629 2.142 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.027 1.098 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.694 1.036 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.011 2.577 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.279 -1.014 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.457 2.743 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.667 -2.190 -1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.845 1.568 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.097 -0.400 0.687 1.00 0.00 H new ATOM 459 N LEU A 30 -14.227 4.312 -1.818 1.00 0.00 N ATOM 460 CA LEU A 30 -13.957 5.485 -0.942 1.00 0.00 C ATOM 461 C LEU A 30 -15.133 5.687 0.017 1.00 0.00 C ATOM 462 O LEU A 30 -14.984 6.234 1.091 1.00 0.00 O ATOM 463 CB LEU A 30 -13.781 6.737 -1.803 1.00 0.00 C ATOM 464 CG LEU A 30 -12.667 6.502 -2.824 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.902 7.388 -4.049 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.317 6.852 -2.194 1.00 0.00 C ATOM 0 H LEU A 30 -14.215 4.506 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.047 5.308 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.714 6.973 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.537 7.593 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.667 5.455 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.108 7.221 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.864 7.140 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.902 8.435 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.522 6.685 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.317 7.899 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.149 6.222 -1.321 1.00 0.00 H new ATOM 478 N LYS A 31 -16.302 5.248 -0.363 1.00 0.00 N ATOM 479 CA LYS A 31 -17.486 5.416 0.526 1.00 0.00 C ATOM 480 C LYS A 31 -17.361 4.471 1.723 1.00 0.00 C ATOM 481 O LYS A 31 -17.818 4.767 2.810 1.00 0.00 O ATOM 482 CB LYS A 31 -18.760 5.088 -0.253 1.00 0.00 C ATOM 483 CG LYS A 31 -19.973 5.645 0.494 1.00 0.00 C ATOM 484 CD LYS A 31 -21.236 5.420 -0.340 1.00 0.00 C ATOM 485 CE LYS A 31 -22.186 6.605 -0.159 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.835 7.675 -1.135 1.00 0.00 N ATOM 0 H LYS A 31 -16.488 4.781 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.533 6.446 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.708 5.517 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.858 4.009 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.073 5.156 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.837 6.709 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.974 5.308 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.727 4.497 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.217 6.285 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.116 6.989 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.480 8.481 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.856 7.987 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.923 7.305 -2.103 1.00 0.00 H new ATOM 500 N ASN A 32 -16.748 3.335 1.532 1.00 0.00 N ATOM 501 CA ASN A 32 -16.595 2.372 2.660 1.00 0.00 C ATOM 502 C ASN A 32 -15.441 1.414 2.360 1.00 0.00 C ATOM 503 O ASN A 32 -15.646 0.298 1.927 1.00 0.00 O ATOM 504 CB ASN A 32 -17.890 1.573 2.828 1.00 0.00 C ATOM 505 CG ASN A 32 -17.811 0.737 4.107 1.00 0.00 C ATOM 506 OD1 ASN A 32 -17.709 1.272 5.192 1.00 0.00 O ATOM 507 ND2 ASN A 32 -17.854 -0.565 4.023 1.00 0.00 N ATOM 0 H ASN A 32 -16.347 3.032 0.645 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.384 2.919 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.744 2.249 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.044 0.924 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.802 -1.133 4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.940 -1.015 3.112 1.00 0.00 H new ATOM 514 N PRO A 33 -14.235 1.856 2.590 1.00 0.00 N ATOM 515 CA PRO A 33 -13.014 1.036 2.346 1.00 0.00 C ATOM 516 C PRO A 33 -13.131 -0.371 2.941 1.00 0.00 C ATOM 517 O PRO A 33 -12.811 -0.598 4.090 1.00 0.00 O ATOM 518 CB PRO A 33 -11.902 1.819 3.045 1.00 0.00 C ATOM 519 CG PRO A 33 -12.376 3.236 3.082 1.00 0.00 C ATOM 520 CD PRO A 33 -13.905 3.191 3.112 1.00 0.00 C ATOM 0 HA PRO A 33 -12.837 0.884 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.726 1.438 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.961 1.734 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.987 3.751 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.023 3.785 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.288 3.330 4.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.339 3.978 2.496 1.00 0.00 H new ATOM 528 N SER A 34 -13.590 -1.317 2.166 1.00 0.00 N ATOM 529 CA SER A 34 -13.728 -2.705 2.687 1.00 0.00 C ATOM 530 C SER A 34 -12.837 -3.646 1.874 1.00 0.00 C ATOM 531 O SER A 34 -12.987 -3.776 0.675 1.00 0.00 O ATOM 532 CB SER A 34 -15.185 -3.152 2.566 1.00 0.00 C ATOM 533 OG SER A 34 -15.460 -4.130 3.561 1.00 0.00 O ATOM 0 H SER A 34 -13.875 -1.187 1.195 1.00 0.00 H new ATOM 0 HA SER A 34 -13.425 -2.732 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.851 -2.297 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.370 -3.564 1.574 1.00 0.00 H new ATOM 0 HG SER A 34 -16.394 -4.418 3.488 1.00 0.00 H new ATOM 539 N ILE A 35 -11.910 -4.303 2.514 1.00 0.00 N ATOM 540 CA ILE A 35 -11.011 -5.234 1.776 1.00 0.00 C ATOM 541 C ILE A 35 -11.834 -6.392 1.205 1.00 0.00 C ATOM 542 O ILE A 35 -11.311 -7.280 0.564 1.00 0.00 O ATOM 543 CB ILE A 35 -9.950 -5.784 2.733 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.709 -6.191 1.935 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.505 -7.005 3.467 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.647 -5.096 2.049 1.00 0.00 C ATOM 0 H ILE A 35 -11.736 -4.235 3.517 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.523 -4.699 0.961 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.683 -5.016 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.315 -7.135 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.972 -6.350 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.748 -7.395 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.390 -6.717 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.773 -7.774 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.763 -5.386 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.044 -4.162 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.376 -4.959 3.096 1.00 0.00 H new ATOM 558 N GLY A 36 -13.119 -6.387 1.431 1.00 0.00 N ATOM 559 CA GLY A 36 -13.974 -7.486 0.901 1.00 0.00 C ATOM 560 C GLY A 36 -14.385 -7.164 -0.537 1.00 0.00 C ATOM 561 O GLY A 36 -14.829 -8.024 -1.272 1.00 0.00 O ATOM 0 H GLY A 36 -13.614 -5.669 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.431 -8.431 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.859 -7.606 1.525 1.00 0.00 H new ATOM 565 N LYS A 37 -14.239 -5.934 -0.945 1.00 0.00 N ATOM 566 CA LYS A 37 -14.622 -5.559 -2.335 1.00 0.00 C ATOM 567 C LYS A 37 -13.375 -5.119 -3.105 1.00 0.00 C ATOM 568 O LYS A 37 -13.404 -4.953 -4.308 1.00 0.00 O ATOM 569 CB LYS A 37 -15.629 -4.406 -2.293 1.00 0.00 C ATOM 570 CG LYS A 37 -14.879 -3.076 -2.183 1.00 0.00 C ATOM 571 CD LYS A 37 -15.770 -2.044 -1.488 1.00 0.00 C ATOM 572 CE LYS A 37 -16.969 -1.721 -2.382 1.00 0.00 C ATOM 573 NZ LYS A 37 -16.503 -0.984 -3.591 1.00 0.00 N ATOM 0 H LYS A 37 -13.871 -5.172 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.073 -6.417 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.245 -4.415 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.302 -4.528 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.955 -3.213 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.599 -2.721 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.112 -2.431 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.202 -1.137 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.475 -2.640 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.694 -1.120 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.320 -0.560 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.841 -0.234 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.023 -1.643 -4.236 1.00 0.00 H new ATOM 587 N LEU A 38 -12.280 -4.929 -2.422 1.00 0.00 N ATOM 588 CA LEU A 38 -11.033 -4.502 -3.116 1.00 0.00 C ATOM 589 C LEU A 38 -10.929 -5.217 -4.464 1.00 0.00 C ATOM 590 O LEU A 38 -10.773 -4.595 -5.497 1.00 0.00 O ATOM 591 CB LEU A 38 -9.820 -4.860 -2.253 1.00 0.00 C ATOM 592 CG LEU A 38 -8.618 -4.022 -2.689 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.557 -2.741 -1.855 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.333 -4.827 -2.480 1.00 0.00 C ATOM 0 H LEU A 38 -12.195 -5.051 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.058 -3.424 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.042 -4.677 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.591 -5.921 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.720 -3.764 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.700 -2.144 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.472 -2.167 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.456 -2.998 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.475 -4.230 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.233 -5.085 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.375 -5.740 -3.075 1.00 0.00 H new ATOM 606 N SER A 39 -11.014 -6.519 -4.464 1.00 0.00 N ATOM 607 CA SER A 39 -10.920 -7.271 -5.747 1.00 0.00 C ATOM 608 C SER A 39 -11.929 -6.703 -6.746 1.00 0.00 C ATOM 609 O SER A 39 -11.568 -6.211 -7.797 1.00 0.00 O ATOM 610 CB SER A 39 -11.228 -8.747 -5.495 1.00 0.00 C ATOM 611 OG SER A 39 -12.335 -8.852 -4.610 1.00 0.00 O ATOM 0 H SER A 39 -11.144 -7.094 -3.632 1.00 0.00 H new ATOM 0 HA SER A 39 -9.913 -7.174 -6.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.451 -9.249 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.357 -9.244 -5.067 1.00 0.00 H new ATOM 0 HG SER A 39 -12.536 -9.797 -4.448 1.00 0.00 H new ATOM 617 N GLU A 40 -13.193 -6.766 -6.428 1.00 0.00 N ATOM 618 CA GLU A 40 -14.224 -6.228 -7.360 1.00 0.00 C ATOM 619 C GLU A 40 -13.699 -4.953 -8.021 1.00 0.00 C ATOM 620 O GLU A 40 -14.149 -4.559 -9.079 1.00 0.00 O ATOM 621 CB GLU A 40 -15.501 -5.912 -6.580 1.00 0.00 C ATOM 622 CG GLU A 40 -16.344 -7.181 -6.441 1.00 0.00 C ATOM 623 CD GLU A 40 -17.178 -7.382 -7.707 1.00 0.00 C ATOM 624 OE1 GLU A 40 -16.649 -7.154 -8.783 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.330 -7.760 -7.580 1.00 0.00 O ATOM 0 H GLU A 40 -13.556 -7.167 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.443 -6.970 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.250 -5.520 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.072 -5.139 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.698 -8.043 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.997 -7.103 -5.572 1.00 0.00 H new ATOM 632 N VAL A 41 -12.750 -4.302 -7.404 1.00 0.00 N ATOM 633 CA VAL A 41 -12.199 -3.051 -7.997 1.00 0.00 C ATOM 634 C VAL A 41 -10.923 -3.376 -8.777 1.00 0.00 C ATOM 635 O VAL A 41 -10.801 -3.063 -9.944 1.00 0.00 O ATOM 636 CB VAL A 41 -11.874 -2.058 -6.880 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.322 -0.767 -7.488 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.148 -1.745 -6.092 1.00 0.00 C ATOM 0 H VAL A 41 -12.333 -4.582 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.935 -2.613 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.129 -2.492 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.091 -0.060 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.416 -0.989 -8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.066 -0.332 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.918 -1.037 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.892 -1.311 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.543 -2.664 -5.658 1.00 0.00 H new ATOM 648 N VAL A 42 -9.972 -4.003 -8.141 1.00 0.00 N ATOM 649 CA VAL A 42 -8.705 -4.348 -8.847 1.00 0.00 C ATOM 650 C VAL A 42 -8.958 -5.506 -9.814 1.00 0.00 C ATOM 651 O VAL A 42 -9.802 -6.349 -9.580 1.00 0.00 O ATOM 652 CB VAL A 42 -7.646 -4.761 -7.823 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.337 -5.086 -8.544 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.415 -3.611 -6.840 1.00 0.00 C ATOM 0 H VAL A 42 -10.017 -4.291 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.353 -3.480 -9.404 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.989 -5.642 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.583 -5.380 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.501 -5.904 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.992 -4.206 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.661 -3.903 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.072 -2.731 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.348 -3.379 -6.326 1.00 0.00 H new ATOM 664 N GLU A 43 -8.234 -5.555 -10.899 1.00 0.00 N ATOM 665 CA GLU A 43 -8.434 -6.659 -11.879 1.00 0.00 C ATOM 666 C GLU A 43 -7.104 -7.375 -12.118 1.00 0.00 C ATOM 667 O GLU A 43 -7.064 -8.475 -12.634 1.00 0.00 O ATOM 668 CB GLU A 43 -8.947 -6.081 -13.200 1.00 0.00 C ATOM 669 CG GLU A 43 -9.557 -7.201 -14.048 1.00 0.00 C ATOM 670 CD GLU A 43 -8.834 -7.279 -15.395 1.00 0.00 C ATOM 671 OE1 GLU A 43 -8.440 -6.238 -15.893 1.00 0.00 O ATOM 672 OE2 GLU A 43 -8.686 -8.378 -15.903 1.00 0.00 O ATOM 0 H GLU A 43 -7.513 -4.878 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.163 -7.368 -11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.693 -5.310 -13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.130 -5.605 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.474 -8.153 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.619 -7.014 -14.205 1.00 0.00 H new ATOM 679 N LEU A 44 -6.014 -6.762 -11.745 1.00 0.00 N ATOM 680 CA LEU A 44 -4.687 -7.408 -11.951 1.00 0.00 C ATOM 681 C LEU A 44 -3.716 -6.933 -10.869 1.00 0.00 C ATOM 682 O LEU A 44 -3.136 -5.869 -10.965 1.00 0.00 O ATOM 683 CB LEU A 44 -4.143 -7.027 -13.330 1.00 0.00 C ATOM 684 CG LEU A 44 -3.283 -8.169 -13.872 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.117 -9.030 -14.823 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.086 -7.589 -14.629 1.00 0.00 C ATOM 0 H LEU A 44 -5.985 -5.842 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.796 -8.491 -11.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.967 -6.822 -14.014 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.552 -6.114 -13.260 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.929 -8.782 -13.043 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.504 -9.844 -15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.971 -9.442 -14.286 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.471 -8.418 -15.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.472 -8.402 -15.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.442 -6.977 -15.458 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.491 -6.975 -13.953 1.00 0.00 H new ATOM 698 N PHE A 45 -3.533 -7.713 -9.839 1.00 0.00 N ATOM 699 CA PHE A 45 -2.599 -7.305 -8.752 1.00 0.00 C ATOM 700 C PHE A 45 -1.179 -7.199 -9.312 1.00 0.00 C ATOM 701 O PHE A 45 -0.427 -8.153 -9.307 1.00 0.00 O ATOM 702 CB PHE A 45 -2.630 -8.349 -7.634 1.00 0.00 C ATOM 703 CG PHE A 45 -4.042 -8.496 -7.122 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.683 -7.409 -6.515 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.711 -9.720 -7.253 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.993 -7.546 -6.039 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.021 -9.856 -6.778 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.662 -8.769 -6.171 1.00 0.00 C ATOM 0 H PHE A 45 -3.990 -8.615 -9.703 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.905 -6.338 -8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.265 -9.306 -8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.967 -8.048 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.167 -6.465 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.216 -10.559 -7.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.487 -6.708 -5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.537 -10.799 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.673 -8.874 -5.805 1.00 0.00 H new ATOM 718 N GLU A 46 -0.806 -6.045 -9.796 1.00 0.00 N ATOM 719 CA GLU A 46 0.564 -5.880 -10.357 1.00 0.00 C ATOM 720 C GLU A 46 0.838 -4.394 -10.599 1.00 0.00 C ATOM 721 O GLU A 46 0.161 -3.746 -11.372 1.00 0.00 O ATOM 722 CB GLU A 46 0.670 -6.641 -11.680 1.00 0.00 C ATOM 723 CG GLU A 46 2.127 -7.040 -11.924 1.00 0.00 C ATOM 724 CD GLU A 46 2.434 -8.338 -11.175 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.132 -9.392 -11.709 1.00 0.00 O ATOM 726 OE2 GLU A 46 2.966 -8.254 -10.079 1.00 0.00 O ATOM 0 H GLU A 46 -1.391 -5.210 -9.827 1.00 0.00 H new ATOM 0 HA GLU A 46 1.296 -6.276 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.038 -7.529 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.310 -6.019 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.305 -7.173 -12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.794 -6.247 -11.586 1.00 0.00 H new ATOM 733 N VAL A 47 1.827 -3.850 -9.945 1.00 0.00 N ATOM 734 CA VAL A 47 2.143 -2.406 -10.140 1.00 0.00 C ATOM 735 C VAL A 47 2.940 -2.227 -11.432 1.00 0.00 C ATOM 736 O VAL A 47 3.745 -3.061 -11.798 1.00 0.00 O ATOM 737 CB VAL A 47 2.971 -1.902 -8.956 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.267 -0.413 -9.137 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.185 -2.111 -7.659 1.00 0.00 C ATOM 0 H VAL A 47 2.429 -4.342 -9.285 1.00 0.00 H new ATOM 0 HA VAL A 47 1.216 -1.837 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 47 3.909 -2.455 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.857 -0.054 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.826 -0.263 -10.061 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.330 0.141 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.774 -1.752 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.247 -1.557 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.973 -3.172 -7.529 1.00 0.00 H new ATOM 749 N PHE A 48 2.723 -1.144 -12.129 1.00 0.00 N ATOM 750 CA PHE A 48 3.469 -0.911 -13.397 1.00 0.00 C ATOM 751 C PHE A 48 4.054 0.502 -13.392 1.00 0.00 C ATOM 752 O PHE A 48 3.651 1.348 -12.618 1.00 0.00 O ATOM 753 CB PHE A 48 2.517 -1.066 -14.585 1.00 0.00 C ATOM 754 CG PHE A 48 2.290 -2.533 -14.862 1.00 0.00 C ATOM 755 CD1 PHE A 48 3.350 -3.333 -15.304 1.00 0.00 C ATOM 756 CD2 PHE A 48 1.021 -3.093 -14.675 1.00 0.00 C ATOM 757 CE1 PHE A 48 3.140 -4.694 -15.561 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.811 -4.453 -14.932 1.00 0.00 C ATOM 759 CZ PHE A 48 1.871 -5.253 -15.374 1.00 0.00 C ATOM 0 H PHE A 48 2.061 -0.411 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 48 4.277 -1.638 -13.482 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.568 -0.575 -14.370 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.936 -0.579 -15.466 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.330 -2.901 -15.447 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.204 -2.476 -14.332 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.957 -5.312 -15.903 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.169 -4.885 -14.789 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.709 -6.303 -15.571 1.00 0.00 H new ATOM 769 N THR A 49 5.000 0.767 -14.251 1.00 0.00 N ATOM 770 CA THR A 49 5.608 2.127 -14.293 1.00 0.00 C ATOM 771 C THR A 49 5.893 2.514 -15.746 1.00 0.00 C ATOM 772 O THR A 49 5.905 1.680 -16.628 1.00 0.00 O ATOM 773 CB THR A 49 6.917 2.124 -13.500 1.00 0.00 C ATOM 774 OG1 THR A 49 8.010 2.298 -14.393 1.00 0.00 O ATOM 775 CG2 THR A 49 7.066 0.795 -12.760 1.00 0.00 C ATOM 0 H THR A 49 5.378 0.101 -14.925 1.00 0.00 H new ATOM 0 HA THR A 49 4.918 2.848 -13.854 1.00 0.00 H new ATOM 0 HB THR A 49 6.905 2.939 -12.776 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.849 2.298 -13.887 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.999 0.795 -12.196 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.228 0.664 -12.075 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.078 -0.023 -13.480 1.00 0.00 H new ATOM 783 N PRO A 50 6.117 3.777 -15.984 1.00 0.00 N ATOM 784 CA PRO A 50 6.407 4.303 -17.348 1.00 0.00 C ATOM 785 C PRO A 50 7.823 3.950 -17.817 1.00 0.00 C ATOM 786 O PRO A 50 8.797 4.226 -17.143 1.00 0.00 O ATOM 787 CB PRO A 50 6.258 5.817 -17.195 1.00 0.00 C ATOM 788 CG PRO A 50 6.526 6.098 -15.752 1.00 0.00 C ATOM 789 CD PRO A 50 6.119 4.846 -14.973 1.00 0.00 C ATOM 0 HA PRO A 50 5.741 3.874 -18.096 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.962 6.348 -17.836 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.258 6.144 -17.480 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.580 6.327 -15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.957 6.965 -15.415 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.822 4.632 -14.168 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.137 4.963 -14.515 1.00 0.00 H new ATOM 911 N LEU A 60 5.086 -2.233 -20.729 1.00 0.00 N ATOM 912 CA LEU A 60 5.415 -1.274 -19.636 1.00 0.00 C ATOM 913 C LEU A 60 6.572 -1.827 -18.803 1.00 0.00 C ATOM 914 O LEU A 60 6.804 -3.020 -18.761 1.00 0.00 O ATOM 915 CB LEU A 60 4.188 -1.081 -18.742 1.00 0.00 C ATOM 916 CG LEU A 60 3.101 -0.336 -19.518 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.725 -0.749 -18.995 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.286 1.172 -19.330 1.00 0.00 C ATOM 0 HA LEU A 60 5.705 -0.316 -20.067 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.813 -2.048 -18.408 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.461 -0.520 -17.849 1.00 0.00 H new ATOM 0 HG LEU A 60 3.175 -0.584 -20.577 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.951 -0.218 -19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.593 -1.823 -19.127 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.649 -0.501 -17.936 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.512 1.705 -19.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.211 1.419 -18.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.267 1.468 -19.703 1.00 0.00 H new ATOM 930 N GLY A 61 7.301 -0.972 -18.141 1.00 0.00 N ATOM 931 CA GLY A 61 8.443 -1.451 -17.311 1.00 0.00 C ATOM 932 C GLY A 61 7.931 -1.891 -15.939 1.00 0.00 C ATOM 933 O GLY A 61 7.104 -1.236 -15.335 1.00 0.00 O ATOM 0 H GLY A 61 7.156 0.038 -18.138 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.943 -2.283 -17.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.181 -0.657 -17.197 1.00 0.00 H new ATOM 937 N ALA A 62 8.414 -2.997 -15.441 1.00 0.00 N ATOM 938 CA ALA A 62 7.954 -3.477 -14.108 1.00 0.00 C ATOM 939 C ALA A 62 8.789 -2.813 -13.011 1.00 0.00 C ATOM 940 O ALA A 62 9.927 -2.445 -13.221 1.00 0.00 O ATOM 941 CB ALA A 62 8.122 -4.996 -14.027 1.00 0.00 C ATOM 0 H ALA A 62 9.107 -3.588 -15.900 1.00 0.00 H new ATOM 0 HA ALA A 62 6.904 -3.220 -13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.786 -5.348 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.528 -5.470 -14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.172 -5.254 -14.163 1.00 0.00 H new ATOM 947 N ALA A 63 8.231 -2.657 -11.842 1.00 0.00 N ATOM 948 CA ALA A 63 8.993 -2.015 -10.733 1.00 0.00 C ATOM 949 C ALA A 63 9.611 -3.098 -9.846 1.00 0.00 C ATOM 950 O ALA A 63 9.624 -4.263 -10.190 1.00 0.00 O ATOM 951 CB ALA A 63 8.048 -1.149 -9.899 1.00 0.00 C ATOM 0 H ALA A 63 7.281 -2.946 -11.607 1.00 0.00 H new ATOM 0 HA ALA A 63 9.784 -1.391 -11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.605 -0.680 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.608 -0.378 -10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.256 -1.772 -9.482 1.00 0.00 H new ATOM 957 N SER A 64 10.123 -2.722 -8.705 1.00 0.00 N ATOM 958 CA SER A 64 10.738 -3.730 -7.797 1.00 0.00 C ATOM 959 C SER A 64 10.138 -3.589 -6.397 1.00 0.00 C ATOM 960 O SER A 64 9.484 -2.613 -6.087 1.00 0.00 O ATOM 961 CB SER A 64 12.249 -3.500 -7.731 1.00 0.00 C ATOM 962 OG SER A 64 12.668 -3.528 -6.373 1.00 0.00 O ATOM 0 H SER A 64 10.142 -1.761 -8.363 1.00 0.00 H new ATOM 0 HA SER A 64 10.539 -4.732 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.771 -4.269 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.503 -2.541 -8.183 1.00 0.00 H new ATOM 0 HG SER A 64 13.636 -3.383 -6.326 1.00 0.00 H new ATOM 968 N LYS A 65 10.356 -4.556 -5.548 1.00 0.00 N ATOM 969 CA LYS A 65 9.798 -4.475 -4.168 1.00 0.00 C ATOM 970 C LYS A 65 10.450 -3.309 -3.422 1.00 0.00 C ATOM 971 O LYS A 65 9.923 -2.810 -2.448 1.00 0.00 O ATOM 972 CB LYS A 65 10.086 -5.781 -3.424 1.00 0.00 C ATOM 973 CG LYS A 65 9.036 -6.826 -3.803 1.00 0.00 C ATOM 974 CD LYS A 65 9.685 -8.211 -3.842 1.00 0.00 C ATOM 975 CE LYS A 65 10.331 -8.436 -5.210 1.00 0.00 C ATOM 976 NZ LYS A 65 9.456 -9.318 -6.033 1.00 0.00 N ATOM 0 H LYS A 65 10.896 -5.398 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 65 8.721 -4.316 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.083 -6.143 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.072 -5.610 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.220 -6.815 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.604 -6.587 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.436 -8.294 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.937 -8.980 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.481 -7.482 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.314 -8.891 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.895 -9.471 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.334 -10.232 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.527 -8.867 -6.158 1.00 0.00 H new ATOM 990 N ALA A 66 11.594 -2.870 -3.871 1.00 0.00 N ATOM 991 CA ALA A 66 12.278 -1.737 -3.187 1.00 0.00 C ATOM 992 C ALA A 66 11.713 -0.413 -3.705 1.00 0.00 C ATOM 993 O ALA A 66 11.427 0.490 -2.944 1.00 0.00 O ATOM 994 CB ALA A 66 13.779 -1.799 -3.476 1.00 0.00 C ATOM 0 H ALA A 66 12.084 -3.247 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 66 12.112 -1.807 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.280 -0.970 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.182 -2.742 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.946 -1.728 -4.551 1.00 0.00 H new ATOM 1000 N GLN A 67 11.550 -0.289 -4.993 1.00 0.00 N ATOM 1001 CA GLN A 67 11.005 0.977 -5.559 1.00 0.00 C ATOM 1002 C GLN A 67 9.616 1.240 -4.972 1.00 0.00 C ATOM 1003 O GLN A 67 9.276 2.356 -4.634 1.00 0.00 O ATOM 1004 CB GLN A 67 10.901 0.854 -7.080 1.00 0.00 C ATOM 1005 CG GLN A 67 10.699 2.241 -7.692 1.00 0.00 C ATOM 1006 CD GLN A 67 9.988 2.107 -9.040 1.00 0.00 C ATOM 1007 OE1 GLN A 67 10.616 1.852 -10.048 1.00 0.00 O ATOM 1008 NE2 GLN A 67 8.695 2.269 -9.100 1.00 0.00 N ATOM 0 H GLN A 67 11.771 -1.011 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 67 11.670 1.803 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.805 0.396 -7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.069 0.203 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.110 2.865 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.661 2.735 -7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.168 2.483 -8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.211 2.182 -9.994 1.00 0.00 H new ATOM 1017 N VAL A 68 8.810 0.221 -4.849 1.00 0.00 N ATOM 1018 CA VAL A 68 7.444 0.413 -4.285 1.00 0.00 C ATOM 1019 C VAL A 68 7.550 0.749 -2.796 1.00 0.00 C ATOM 1020 O VAL A 68 7.062 1.765 -2.344 1.00 0.00 O ATOM 1021 CB VAL A 68 6.633 -0.871 -4.463 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.269 -0.711 -3.791 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.436 -1.147 -5.955 1.00 0.00 C ATOM 0 H VAL A 68 9.039 -0.737 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 68 6.947 1.231 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 68 7.168 -1.704 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.691 -1.626 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.408 -0.514 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.734 0.122 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.858 -2.062 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.902 -0.314 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.408 -1.262 -6.435 1.00 0.00 H new ATOM 1033 N GLU A 69 8.182 -0.098 -2.032 1.00 0.00 N ATOM 1034 CA GLU A 69 8.318 0.172 -0.572 1.00 0.00 C ATOM 1035 C GLU A 69 9.019 1.515 -0.364 1.00 0.00 C ATOM 1036 O GLU A 69 8.725 2.243 0.564 1.00 0.00 O ATOM 1037 CB GLU A 69 9.143 -0.940 0.078 1.00 0.00 C ATOM 1038 CG GLU A 69 8.477 -2.291 -0.186 1.00 0.00 C ATOM 1039 CD GLU A 69 7.635 -2.692 1.027 1.00 0.00 C ATOM 1040 OE1 GLU A 69 6.552 -2.153 1.175 1.00 0.00 O ATOM 1041 OE2 GLU A 69 8.090 -3.531 1.787 1.00 0.00 O ATOM 0 H GLU A 69 8.610 -0.966 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 69 7.329 0.205 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.156 -0.938 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.225 -0.767 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.848 -2.231 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.235 -3.049 -0.383 1.00 0.00 H new ATOM 1048 N ASN A 70 9.946 1.851 -1.219 1.00 0.00 N ATOM 1049 CA ASN A 70 10.665 3.147 -1.068 1.00 0.00 C ATOM 1050 C ASN A 70 9.651 4.293 -1.025 1.00 0.00 C ATOM 1051 O ASN A 70 9.894 5.325 -0.433 1.00 0.00 O ATOM 1052 CB ASN A 70 11.611 3.347 -2.255 1.00 0.00 C ATOM 1053 CG ASN A 70 12.994 2.800 -1.904 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.993 3.273 -2.408 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.097 1.816 -1.052 1.00 0.00 N ATOM 0 H ASN A 70 10.236 1.284 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 70 11.240 3.137 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.220 2.837 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.680 4.406 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.016 1.445 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.259 1.418 -0.628 1.00 0.00 H new ATOM 1062 N GLU A 71 8.518 4.118 -1.646 1.00 0.00 N ATOM 1063 CA GLU A 71 7.491 5.198 -1.639 1.00 0.00 C ATOM 1064 C GLU A 71 6.639 5.083 -0.373 1.00 0.00 C ATOM 1065 O GLU A 71 6.678 5.937 0.491 1.00 0.00 O ATOM 1066 CB GLU A 71 6.594 5.057 -2.871 1.00 0.00 C ATOM 1067 CG GLU A 71 7.463 4.855 -4.114 1.00 0.00 C ATOM 1068 CD GLU A 71 6.742 5.420 -5.339 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.084 6.437 -5.197 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.861 4.827 -6.399 1.00 0.00 O ATOM 0 H GLU A 71 8.258 3.275 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 71 7.985 6.169 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.917 4.212 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.975 5.947 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.424 5.352 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.670 3.794 -4.258 1.00 0.00 H new ATOM 1077 N PHE A 72 5.871 4.036 -0.256 1.00 0.00 N ATOM 1078 CA PHE A 72 5.018 3.869 0.955 1.00 0.00 C ATOM 1079 C PHE A 72 5.901 3.535 2.158 1.00 0.00 C ATOM 1080 O PHE A 72 6.038 4.319 3.077 1.00 0.00 O ATOM 1081 CB PHE A 72 4.021 2.732 0.723 1.00 0.00 C ATOM 1082 CG PHE A 72 3.342 2.920 -0.613 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.935 2.414 -1.776 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.121 3.601 -0.688 1.00 0.00 C ATOM 1085 CE1 PHE A 72 3.307 2.589 -3.014 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.493 3.775 -1.927 1.00 0.00 C ATOM 1087 CZ PHE A 72 2.086 3.270 -3.090 1.00 0.00 C ATOM 0 H PHE A 72 5.797 3.289 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 72 4.476 4.794 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.536 1.772 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.279 2.717 1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.877 1.889 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.664 3.992 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.764 2.199 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.551 4.299 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.602 3.406 -4.046 1.00 0.00 H new ATOM 1097 N GLY A 73 6.502 2.376 2.163 1.00 0.00 N ATOM 1098 CA GLY A 73 7.376 1.993 3.308 1.00 0.00 C ATOM 1099 C GLY A 73 7.337 0.476 3.496 1.00 0.00 C ATOM 1100 O GLY A 73 6.600 -0.223 2.829 1.00 0.00 O ATOM 0 H GLY A 73 6.425 1.678 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.399 2.321 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.041 2.491 4.218 1.00 0.00 H new ATOM 1104 N LYS A 74 8.124 -0.039 4.400 1.00 0.00 N ATOM 1105 CA LYS A 74 8.132 -1.511 4.630 1.00 0.00 C ATOM 1106 C LYS A 74 7.093 -1.866 5.696 1.00 0.00 C ATOM 1107 O LYS A 74 6.502 -1.002 6.313 1.00 0.00 O ATOM 1108 CB LYS A 74 9.520 -1.947 5.105 1.00 0.00 C ATOM 1109 CG LYS A 74 10.508 -1.873 3.936 1.00 0.00 C ATOM 1110 CD LYS A 74 11.653 -0.921 4.292 1.00 0.00 C ATOM 1111 CE LYS A 74 12.577 -1.592 5.310 1.00 0.00 C ATOM 1112 NZ LYS A 74 13.897 -0.902 5.311 1.00 0.00 N ATOM 0 H LYS A 74 8.762 0.496 4.989 1.00 0.00 H new ATOM 0 HA LYS A 74 7.889 -2.025 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.855 -1.305 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.479 -2.963 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.902 -2.865 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.999 -1.525 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.213 -0.658 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.254 0.007 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.132 -1.550 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.705 -2.646 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.526 -1.357 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.322 -0.964 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.766 0.097 5.567 1.00 0.00 H new ATOM 1126 N GLY A 75 6.867 -3.132 5.919 1.00 0.00 N ATOM 1127 CA GLY A 75 5.867 -3.541 6.946 1.00 0.00 C ATOM 1128 C GLY A 75 4.475 -3.587 6.315 1.00 0.00 C ATOM 1129 O GLY A 75 3.477 -3.719 6.996 1.00 0.00 O ATOM 0 H GLY A 75 7.331 -3.900 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.126 -4.519 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.877 -2.838 7.779 1.00 0.00 H new ATOM 1133 N LYS A 76 4.397 -3.477 5.017 1.00 0.00 N ATOM 1134 CA LYS A 76 3.068 -3.513 4.344 1.00 0.00 C ATOM 1135 C LYS A 76 3.121 -4.487 3.166 1.00 0.00 C ATOM 1136 O LYS A 76 4.171 -4.972 2.794 1.00 0.00 O ATOM 1137 CB LYS A 76 2.715 -2.114 3.834 1.00 0.00 C ATOM 1138 CG LYS A 76 1.888 -1.379 4.890 1.00 0.00 C ATOM 1139 CD LYS A 76 1.803 0.106 4.531 1.00 0.00 C ATOM 1140 CE LYS A 76 0.970 0.840 5.584 1.00 0.00 C ATOM 1141 NZ LYS A 76 0.787 -0.039 6.773 1.00 0.00 N ATOM 0 H LYS A 76 5.196 -3.364 4.394 1.00 0.00 H new ATOM 0 HA LYS A 76 2.310 -3.842 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.625 -1.555 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.154 -2.186 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.888 -1.808 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.343 -1.501 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.803 0.536 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.352 0.228 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.466 1.766 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.000 1.115 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.294 0.488 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.222 -0.871 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.716 -0.349 7.122 1.00 0.00 H new ATOM 1155 N LYS A 77 1.994 -4.778 2.574 1.00 0.00 N ATOM 1156 CA LYS A 77 1.982 -5.721 1.420 1.00 0.00 C ATOM 1157 C LYS A 77 1.446 -5.003 0.179 1.00 0.00 C ATOM 1158 O LYS A 77 1.392 -3.790 0.128 1.00 0.00 O ATOM 1159 CB LYS A 77 1.080 -6.915 1.747 1.00 0.00 C ATOM 1160 CG LYS A 77 1.526 -7.545 3.067 1.00 0.00 C ATOM 1161 CD LYS A 77 1.236 -9.047 3.039 1.00 0.00 C ATOM 1162 CE LYS A 77 1.641 -9.671 4.375 1.00 0.00 C ATOM 1163 NZ LYS A 77 1.112 -11.062 4.456 1.00 0.00 N ATOM 0 H LYS A 77 1.083 -4.404 2.839 1.00 0.00 H new ATOM 0 HA LYS A 77 2.996 -6.072 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.042 -6.591 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.129 -7.652 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.591 -7.372 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.002 -7.078 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.176 -9.220 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.785 -9.519 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.727 -9.678 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.252 -9.074 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.388 -11.486 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.075 -11.044 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.504 -11.628 3.677 1.00 0.00 H new ATOM 1177 N ILE A 78 1.051 -5.742 -0.822 1.00 0.00 N ATOM 1178 CA ILE A 78 0.520 -5.101 -2.057 1.00 0.00 C ATOM 1179 C ILE A 78 -0.955 -4.750 -1.857 1.00 0.00 C ATOM 1180 O ILE A 78 -1.436 -3.748 -2.348 1.00 0.00 O ATOM 1181 CB ILE A 78 0.659 -6.070 -3.233 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.124 -5.407 -4.504 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.143 -7.339 -2.945 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.293 -5.025 -5.412 1.00 0.00 C ATOM 0 H ILE A 78 1.073 -6.762 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 78 1.084 -4.192 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 78 1.709 -6.327 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.548 -6.088 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.456 -4.520 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.044 -8.030 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.236 -7.811 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.193 -7.082 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.911 -4.553 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.948 -4.329 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.854 -5.921 -5.679 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.677 -5.565 -1.139 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.120 -5.277 -0.908 1.00 0.00 C ATOM 1198 C GLU A 79 -3.260 -3.987 -0.098 1.00 0.00 C ATOM 1199 O GLU A 79 -4.213 -3.249 -0.247 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.755 -6.435 -0.135 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.636 -7.722 -0.954 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.420 -8.840 -0.265 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.377 -8.528 0.424 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.051 -9.990 -0.439 1.00 0.00 O ATOM 0 H GLU A 79 -1.330 -6.419 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.624 -5.161 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.260 -6.558 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.803 -6.218 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.020 -7.561 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.589 -8.006 -1.054 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.315 -3.708 0.758 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.394 -2.465 1.576 1.00 0.00 C ATOM 1213 C GLU A 80 -1.836 -1.289 0.772 1.00 0.00 C ATOM 1214 O GLU A 80 -2.414 -0.222 0.733 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.573 -2.644 2.856 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.395 -3.420 3.885 1.00 0.00 C ATOM 1217 CD GLU A 80 -3.242 -4.477 3.173 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.717 -5.543 2.900 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.401 -4.200 2.912 1.00 0.00 O ATOM 0 H GLU A 80 -1.492 -4.287 0.926 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.434 -2.266 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.649 -3.178 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.291 -1.671 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.734 -3.896 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.038 -2.738 4.441 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.715 -1.476 0.130 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.121 -0.368 -0.671 1.00 0.00 C ATOM 1228 C VAL A 81 -1.121 0.081 -1.740 1.00 0.00 C ATOM 1229 O VAL A 81 -1.202 1.246 -2.075 1.00 0.00 O ATOM 1230 CB VAL A 81 1.161 -0.858 -1.346 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.544 0.102 -2.474 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.291 -0.908 -0.315 1.00 0.00 C ATOM 0 H VAL A 81 -0.185 -2.348 0.126 1.00 0.00 H new ATOM 0 HA VAL A 81 0.111 0.471 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 81 0.997 -1.854 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.458 -0.248 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.739 0.140 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.708 1.098 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.206 -1.257 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.454 0.089 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.019 -1.591 0.490 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.881 -0.833 -2.276 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.874 -0.457 -3.322 1.00 0.00 C ATOM 1244 C ILE A 82 -4.004 0.353 -2.685 1.00 0.00 C ATOM 1245 O ILE A 82 -4.407 1.381 -3.192 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.449 -1.723 -3.958 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.494 -2.227 -5.043 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.809 -1.409 -4.584 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.736 -3.719 -5.283 1.00 0.00 C ATOM 0 H ILE A 82 -1.858 -1.824 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.384 0.144 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.570 -2.490 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.649 -1.669 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.461 -2.060 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.218 -2.312 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.490 -1.049 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.689 -0.642 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.056 -4.078 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.559 -4.270 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.766 -3.873 -5.606 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.520 -0.101 -1.576 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.624 0.643 -0.908 1.00 0.00 C ATOM 1263 C ASP A 83 -5.265 2.129 -0.830 1.00 0.00 C ATOM 1264 O ASP A 83 -6.072 2.989 -1.121 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.829 0.093 0.505 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.654 1.086 1.326 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.870 0.993 1.283 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -6.057 1.924 1.982 1.00 0.00 O ATOM 0 H ASP A 83 -4.224 -0.955 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.543 0.521 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.338 -0.870 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.865 -0.078 0.983 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.058 2.437 -0.440 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.649 3.865 -0.343 1.00 0.00 C ATOM 1275 C LEU A 84 -3.742 4.517 -1.724 1.00 0.00 C ATOM 1276 O LEU A 84 -4.424 5.506 -1.910 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.207 3.950 0.163 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.144 3.457 1.610 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.704 3.541 2.116 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.042 4.335 2.485 1.00 0.00 C ATOM 0 H LEU A 84 -3.338 1.761 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.310 4.385 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.553 3.347 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.849 4.978 0.102 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.486 2.423 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.660 3.190 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.062 2.918 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.362 4.575 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.999 3.986 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.698 5.368 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.069 4.277 2.125 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.063 3.972 -2.696 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.113 4.562 -4.063 1.00 0.00 C ATOM 1294 C ILE A 85 -4.567 4.848 -4.441 1.00 0.00 C ATOM 1295 O ILE A 85 -4.906 5.937 -4.862 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.510 3.577 -5.066 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.996 3.497 -4.853 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.799 4.054 -6.490 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.491 2.122 -5.295 1.00 0.00 C ATOM 0 H ILE A 85 -2.476 3.143 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.543 5.491 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.952 2.592 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.496 4.280 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.756 3.664 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.369 3.351 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.877 4.112 -6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.358 5.039 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.587 2.064 -5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.982 1.347 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.718 1.973 -6.351 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.431 3.880 -4.297 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.861 4.099 -4.648 1.00 0.00 C ATOM 1313 C LEU A 86 -7.422 5.251 -3.811 1.00 0.00 C ATOM 1314 O LEU A 86 -8.297 5.975 -4.243 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.658 2.824 -4.361 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.402 1.802 -5.469 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.994 0.450 -5.064 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.063 2.279 -6.765 1.00 0.00 C ATOM 0 H LEU A 86 -5.207 2.947 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.941 4.347 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.367 2.410 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.722 3.053 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.328 1.697 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.811 -0.278 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.525 0.109 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.068 0.555 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.881 1.551 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.137 2.384 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.643 3.242 -7.055 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.926 5.426 -2.618 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.430 6.531 -1.756 1.00 0.00 C ATOM 1332 C ARG A 87 -7.290 7.860 -2.499 1.00 0.00 C ATOM 1333 O ARG A 87 -7.788 8.881 -2.065 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.617 6.581 -0.461 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.427 7.293 0.624 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.768 7.066 1.986 1.00 0.00 C ATOM 1337 NE ARG A 87 -6.822 8.326 2.779 1.00 0.00 N ATOM 1338 CZ ARG A 87 -6.597 8.298 4.065 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -6.324 7.167 4.655 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -6.645 9.402 4.760 1.00 0.00 N ATOM 0 H ARG A 87 -6.193 4.851 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.479 6.356 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.366 5.571 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.676 7.105 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.483 8.360 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.450 6.916 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.279 6.265 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.733 6.751 1.853 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.035 9.210 2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.286 6.305 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.148 7.145 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.858 10.286 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.469 9.380 5.765 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.615 7.859 -3.616 1.00 0.00 N ATOM 1355 CA ASN A 88 -6.443 9.121 -4.386 1.00 0.00 C ATOM 1356 C ASN A 88 -6.718 8.856 -5.868 1.00 0.00 C ATOM 1357 O ASN A 88 -7.841 8.941 -6.326 1.00 0.00 O ATOM 1358 CB ASN A 88 -5.011 9.631 -4.217 1.00 0.00 C ATOM 1359 CG ASN A 88 -4.953 10.616 -3.048 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -4.885 10.215 -1.903 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -4.979 11.899 -3.288 1.00 0.00 N ATOM 0 H ASN A 88 -6.175 7.036 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.142 9.871 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.335 8.795 -4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.677 10.118 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.942 12.563 -2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.036 12.237 -4.249 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.702 8.533 -6.620 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.906 8.261 -8.071 1.00 0.00 C ATOM 1370 C GLY A 89 -6.355 9.542 -8.777 1.00 0.00 C ATOM 1371 O GLY A 89 -7.319 10.171 -8.386 1.00 0.00 O ATOM 0 H GLY A 89 -4.740 8.446 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.981 7.894 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.655 7.480 -8.203 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.664 9.933 -9.812 1.00 0.00 N ATOM 1376 CA LYS A 90 -6.051 11.173 -10.542 1.00 0.00 C ATOM 1377 C LYS A 90 -6.576 12.210 -9.547 1.00 0.00 C ATOM 1378 O LYS A 90 -7.721 12.613 -9.604 1.00 0.00 O ATOM 1379 CB LYS A 90 -7.145 10.844 -11.561 1.00 0.00 C ATOM 1380 CG LYS A 90 -6.726 9.625 -12.384 1.00 0.00 C ATOM 1381 CD LYS A 90 -7.741 9.392 -13.505 1.00 0.00 C ATOM 1382 CE LYS A 90 -8.645 8.213 -13.138 1.00 0.00 C ATOM 1383 NZ LYS A 90 -9.582 7.937 -14.263 1.00 0.00 N ATOM 0 H LYS A 90 -4.848 9.447 -10.184 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.180 11.576 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.086 10.644 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.315 11.698 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.733 9.781 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.666 8.744 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.340 10.289 -13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.223 9.189 -14.442 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.042 7.330 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.205 8.439 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.197 7.136 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.166 8.779 -14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.038 7.704 -15.118 1.00 0.00 H new