USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 886 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot -75:sc= 1.71 USER MOD Set 2.2: A 76 THR OG1 : rot -45:sc= 0.886 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 53:sc= -7.48! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 22 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.14) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000344) USER MOD Single : A 43 ASN : amide:sc= 0.467 K(o=0.47,f=-2.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 128:sc= 0.673 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.17) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 91 MET CE :methyl 179:sc= -4.91! (180deg=-4.96!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 127 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.39) USER MOD Single : A 129 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.174 -12.548 -1.070 1.00 0.00 N ATOM 67 CA GLY A 8 0.032 -13.063 -0.334 1.00 0.00 C ATOM 68 C GLY A 8 -1.166 -12.117 -0.449 1.00 0.00 C ATOM 69 O GLY A 8 -1.589 -11.777 -1.553 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.239 -14.047 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.299 -13.192 0.715 1.00 0.00 H new ATOM 73 N GLN A 9 -1.678 -11.720 0.706 1.00 0.00 N ATOM 74 CA GLN A 9 -2.819 -10.821 0.749 1.00 0.00 C ATOM 75 C GLN A 9 -2.527 -9.638 1.675 1.00 0.00 C ATOM 76 O GLN A 9 -1.950 -9.812 2.748 1.00 0.00 O ATOM 77 CB GLN A 9 -4.084 -11.561 1.186 1.00 0.00 C ATOM 78 CG GLN A 9 -4.550 -12.537 0.104 1.00 0.00 C ATOM 79 CD GLN A 9 -5.978 -13.016 0.375 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.225 -13.878 1.202 1.00 0.00 O ATOM 81 NE2 GLN A 9 -6.901 -12.409 -0.366 1.00 0.00 N ATOM 0 H GLN A 9 -1.324 -12.004 1.619 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.993 -10.436 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.891 -12.104 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.875 -10.842 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.504 -12.053 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.876 -13.393 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.625 -11.695 -1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.885 -12.657 -0.260 1.00 0.00 H new ATOM 90 N LEU A 10 -2.941 -8.461 1.228 1.00 0.00 N ATOM 91 CA LEU A 10 -2.731 -7.251 2.003 1.00 0.00 C ATOM 92 C LEU A 10 -4.087 -6.654 2.385 1.00 0.00 C ATOM 93 O LEU A 10 -5.010 -6.629 1.572 1.00 0.00 O ATOM 94 CB LEU A 10 -1.824 -6.279 1.246 1.00 0.00 C ATOM 95 CG LEU A 10 -0.835 -5.481 2.098 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.251 -4.309 1.307 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.484 -5.023 3.406 1.00 0.00 C ATOM 0 H LEU A 10 -3.421 -8.320 0.339 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.209 -7.480 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.260 -6.843 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.454 -5.575 0.701 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.005 -6.136 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.449 -3.758 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.271 -4.687 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.056 -3.645 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.760 -4.458 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.344 -4.391 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.811 -5.894 3.974 1.00 0.00 H new ATOM 109 N SER A 11 -4.166 -6.189 3.624 1.00 0.00 N ATOM 110 CA SER A 11 -5.394 -5.594 4.123 1.00 0.00 C ATOM 111 C SER A 11 -5.282 -4.068 4.104 1.00 0.00 C ATOM 112 O SER A 11 -4.490 -3.491 4.847 1.00 0.00 O ATOM 113 CB SER A 11 -5.707 -6.085 5.538 1.00 0.00 C ATOM 114 OG SER A 11 -6.166 -7.434 5.545 1.00 0.00 O ATOM 0 H SER A 11 -3.399 -6.213 4.296 1.00 0.00 H new ATOM 0 HA SER A 11 -6.212 -5.900 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.813 -6.003 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.465 -5.442 5.986 1.00 0.00 H new ATOM 0 HG SER A 11 -5.527 -8.000 5.063 1.00 0.00 H new ATOM 120 N ILE A 12 -6.086 -3.459 3.245 1.00 0.00 N ATOM 121 CA ILE A 12 -6.088 -2.011 3.119 1.00 0.00 C ATOM 122 C ILE A 12 -7.515 -1.490 3.297 1.00 0.00 C ATOM 123 O ILE A 12 -8.427 -1.914 2.590 1.00 0.00 O ATOM 124 CB ILE A 12 -5.438 -1.588 1.800 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.940 -1.900 1.801 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.716 -0.113 1.500 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.492 -2.442 0.442 1.00 0.00 C ATOM 0 H ILE A 12 -6.741 -3.942 2.629 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.483 -1.559 3.905 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.887 -2.171 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.377 -0.998 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.717 -2.630 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.243 0.162 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.792 0.047 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.312 0.504 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.423 -2.656 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.039 -3.357 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.694 -1.700 -0.330 1.00 0.00 H new ATOM 139 N LYS A 13 -7.663 -0.577 4.246 1.00 0.00 N ATOM 140 CA LYS A 13 -8.963 0.007 4.527 1.00 0.00 C ATOM 141 C LYS A 13 -9.017 1.423 3.950 1.00 0.00 C ATOM 142 O LYS A 13 -8.264 2.298 4.374 1.00 0.00 O ATOM 143 CB LYS A 13 -9.269 -0.059 6.024 1.00 0.00 C ATOM 144 CG LYS A 13 -10.658 -0.651 6.275 1.00 0.00 C ATOM 145 CD LYS A 13 -11.070 -0.481 7.739 1.00 0.00 C ATOM 146 CE LYS A 13 -9.981 -1.001 8.679 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.348 -0.743 10.090 1.00 0.00 N ATOM 0 H LYS A 13 -6.903 -0.227 4.830 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.751 -0.567 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.515 -0.665 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.213 0.941 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.388 -0.163 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.659 -1.709 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.262 0.572 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.001 -1.017 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.838 -2.070 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.032 -0.516 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.598 -1.102 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.461 0.280 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.243 -1.226 10.310 1.00 0.00 H new ATOM 161 N LEU A 14 -9.914 1.604 2.992 1.00 0.00 N ATOM 162 CA LEU A 14 -10.075 2.899 2.353 1.00 0.00 C ATOM 163 C LEU A 14 -11.410 3.512 2.781 1.00 0.00 C ATOM 164 O LEU A 14 -12.346 2.791 3.126 1.00 0.00 O ATOM 165 CB LEU A 14 -9.915 2.772 0.837 1.00 0.00 C ATOM 166 CG LEU A 14 -8.510 2.427 0.338 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.565 1.775 -1.046 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.603 3.659 0.355 1.00 0.00 C ATOM 0 H LEU A 14 -10.537 0.876 2.643 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.291 3.583 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.604 2.006 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.221 3.713 0.379 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.075 1.698 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.554 1.540 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.152 0.858 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.028 2.462 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.611 3.385 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.023 4.429 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.528 4.041 1.373 1.00 0.00 H new ATOM 180 N TRP A 15 -11.456 4.835 2.746 1.00 0.00 N ATOM 181 CA TRP A 15 -12.661 5.553 3.126 1.00 0.00 C ATOM 182 C TRP A 15 -12.604 6.943 2.489 1.00 0.00 C ATOM 183 O TRP A 15 -11.523 7.455 2.203 1.00 0.00 O ATOM 184 CB TRP A 15 -12.816 5.598 4.647 1.00 0.00 C ATOM 185 CG TRP A 15 -13.818 6.643 5.140 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.577 7.909 5.508 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.240 6.460 5.305 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.734 8.552 5.897 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.778 7.643 5.769 1.00 0.00 C ATOM 190 CE3 TRP A 15 -16.046 5.332 5.069 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.141 7.813 6.038 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.406 5.517 5.343 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.963 6.702 5.810 1.00 0.00 C ATOM 0 H TRP A 15 -10.678 5.429 2.460 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.549 5.038 2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.129 4.615 4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.844 5.802 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.600 8.368 5.501 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.810 9.517 6.219 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.647 4.397 4.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.537 8.750 6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.069 4.680 5.180 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.025 6.766 5.996 1.00 0.00 H new ATOM 204 N PHE A 16 -13.782 7.514 2.285 1.00 0.00 N ATOM 205 CA PHE A 16 -13.880 8.835 1.688 1.00 0.00 C ATOM 206 C PHE A 16 -14.575 9.815 2.635 1.00 0.00 C ATOM 207 O PHE A 16 -15.719 9.597 3.031 1.00 0.00 O ATOM 208 CB PHE A 16 -14.720 8.690 0.418 1.00 0.00 C ATOM 209 CG PHE A 16 -14.822 9.972 -0.411 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.693 10.578 -0.867 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.041 10.506 -0.692 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.787 11.768 -1.636 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.135 11.696 -1.461 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.006 12.302 -1.917 1.00 0.00 C ATOM 0 H PHE A 16 -14.677 7.086 2.523 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.883 9.222 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.291 7.902 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.724 8.367 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.725 10.154 -0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.938 10.025 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.890 12.249 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.103 12.120 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.077 13.207 -2.502 1.00 0.00 H new ATOM 224 N ASP A 17 -13.854 10.875 2.972 1.00 0.00 N ATOM 225 CA ASP A 17 -14.386 11.890 3.865 1.00 0.00 C ATOM 226 C ASP A 17 -14.851 13.093 3.044 1.00 0.00 C ATOM 227 O ASP A 17 -14.094 14.042 2.843 1.00 0.00 O ATOM 228 CB ASP A 17 -13.318 12.372 4.849 1.00 0.00 C ATOM 229 CG ASP A 17 -13.501 11.890 6.289 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.400 11.047 6.496 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.737 12.375 7.151 1.00 0.00 O ATOM 0 H ASP A 17 -12.905 11.053 2.642 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.215 11.450 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.342 12.042 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.307 13.462 4.845 1.00 0.00 H new ATOM 236 N LYS A 18 -16.094 13.016 2.590 1.00 0.00 N ATOM 237 CA LYS A 18 -16.668 14.087 1.795 1.00 0.00 C ATOM 238 C LYS A 18 -16.687 15.375 2.620 1.00 0.00 C ATOM 239 O LYS A 18 -16.801 16.469 2.068 1.00 0.00 O ATOM 240 CB LYS A 18 -18.043 13.680 1.260 1.00 0.00 C ATOM 241 CG LYS A 18 -19.041 13.489 2.403 1.00 0.00 C ATOM 242 CD LYS A 18 -19.479 12.026 2.511 1.00 0.00 C ATOM 243 CE LYS A 18 -20.404 11.818 3.711 1.00 0.00 C ATOM 244 NZ LYS A 18 -21.809 11.683 3.265 1.00 0.00 N ATOM 0 H LYS A 18 -16.719 12.228 2.758 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.053 14.280 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.411 14.444 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.956 12.755 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.589 13.807 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.913 14.122 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.991 11.728 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.602 11.386 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.103 10.925 4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.313 12.660 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.424 11.542 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.098 12.546 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.894 10.866 2.628 1.00 0.00 H new ATOM 258 N VAL A 19 -16.573 15.204 3.929 1.00 0.00 N ATOM 259 CA VAL A 19 -16.576 16.339 4.835 1.00 0.00 C ATOM 260 C VAL A 19 -15.482 17.323 4.416 1.00 0.00 C ATOM 261 O VAL A 19 -15.776 18.415 3.931 1.00 0.00 O ATOM 262 CB VAL A 19 -16.424 15.856 6.279 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.384 17.037 7.251 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.541 14.878 6.650 1.00 0.00 C ATOM 0 H VAL A 19 -16.478 14.296 4.384 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.527 16.868 4.781 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.475 15.326 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.276 16.666 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.539 17.680 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.309 17.607 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.410 14.550 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.507 15.373 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.503 14.014 5.987 1.00 0.00 H new ATOM 274 N GLY A 20 -14.242 16.902 4.619 1.00 0.00 N ATOM 275 CA GLY A 20 -13.103 17.733 4.268 1.00 0.00 C ATOM 276 C GLY A 20 -12.537 17.339 2.902 1.00 0.00 C ATOM 277 O GLY A 20 -11.513 17.869 2.474 1.00 0.00 O ATOM 0 H GLY A 20 -14.001 15.996 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.404 18.781 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.328 17.635 5.029 1.00 0.00 H new ATOM 281 N HIS A 21 -13.228 16.411 2.256 1.00 0.00 N ATOM 282 CA HIS A 21 -12.807 15.940 0.948 1.00 0.00 C ATOM 283 C HIS A 21 -11.402 15.341 1.045 1.00 0.00 C ATOM 284 O HIS A 21 -10.475 15.815 0.390 1.00 0.00 O ATOM 285 CB HIS A 21 -12.904 17.060 -0.090 1.00 0.00 C ATOM 286 CG HIS A 21 -14.317 17.495 -0.394 1.00 0.00 C ATOM 287 ND1 HIS A 21 -14.773 18.780 -0.157 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.370 16.804 -0.917 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.044 18.848 -0.524 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.412 17.622 -0.995 1.00 0.00 N ATOM 0 H HIS A 21 -14.077 15.973 2.614 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.478 15.151 0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.338 17.921 0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.431 16.727 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.358 15.767 -1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.677 19.721 -0.461 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.336 17.375 -1.349 1.00 0.00 H new ATOM 298 N GLN A 22 -11.289 14.310 1.869 1.00 0.00 N ATOM 299 CA GLN A 22 -10.012 13.642 2.061 1.00 0.00 C ATOM 300 C GLN A 22 -10.175 12.129 1.899 1.00 0.00 C ATOM 301 O GLN A 22 -11.259 11.591 2.118 1.00 0.00 O ATOM 302 CB GLN A 22 -9.414 13.986 3.426 1.00 0.00 C ATOM 303 CG GLN A 22 -9.963 15.316 3.947 1.00 0.00 C ATOM 304 CD GLN A 22 -9.516 15.566 5.389 1.00 0.00 C ATOM 305 OE1 GLN A 22 -8.815 16.517 5.692 1.00 0.00 O ATOM 306 NE2 GLN A 22 -9.960 14.663 6.257 1.00 0.00 N ATOM 0 H GLN A 22 -12.060 13.921 2.411 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.320 13.997 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.641 13.192 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.328 14.043 3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.619 16.130 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.052 15.309 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.544 13.891 5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.717 14.742 7.244 1.00 0.00 H new ATOM 315 N LEU A 23 -9.082 11.486 1.516 1.00 0.00 N ATOM 316 CA LEU A 23 -9.090 10.047 1.322 1.00 0.00 C ATOM 317 C LEU A 23 -8.440 9.370 2.530 1.00 0.00 C ATOM 318 O LEU A 23 -7.252 9.560 2.788 1.00 0.00 O ATOM 319 CB LEU A 23 -8.436 9.682 -0.013 1.00 0.00 C ATOM 320 CG LEU A 23 -8.902 8.373 -0.653 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.420 8.366 -0.845 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.157 8.107 -1.962 1.00 0.00 C ATOM 0 H LEU A 23 -8.185 11.936 1.335 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.113 9.677 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.619 10.493 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.358 9.626 0.137 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.660 7.556 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.725 7.424 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.910 8.475 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.709 9.194 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.507 7.171 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.345 8.923 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.087 8.038 -1.764 1.00 0.00 H new ATOM 334 N ILE A 24 -9.246 8.593 3.238 1.00 0.00 N ATOM 335 CA ILE A 24 -8.764 7.887 4.413 1.00 0.00 C ATOM 336 C ILE A 24 -8.231 6.515 3.995 1.00 0.00 C ATOM 337 O ILE A 24 -9.006 5.589 3.762 1.00 0.00 O ATOM 338 CB ILE A 24 -9.855 7.823 5.484 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.980 9.158 6.221 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.610 6.658 6.446 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.231 10.304 5.239 1.00 0.00 C ATOM 0 H ILE A 24 -10.230 8.437 3.021 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.934 8.427 4.868 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.809 7.638 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.797 9.105 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.069 9.352 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.399 6.635 7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.611 5.721 5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.645 6.788 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.316 11.242 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.401 10.369 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.156 10.119 4.692 1.00 0.00 H new ATOM 353 N VAL A 25 -6.911 6.429 3.913 1.00 0.00 N ATOM 354 CA VAL A 25 -6.265 5.186 3.527 1.00 0.00 C ATOM 355 C VAL A 25 -5.589 4.567 4.752 1.00 0.00 C ATOM 356 O VAL A 25 -4.551 5.049 5.203 1.00 0.00 O ATOM 357 CB VAL A 25 -5.295 5.437 2.371 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.695 4.124 1.864 1.00 0.00 C ATOM 359 CG2 VAL A 25 -5.980 6.202 1.237 1.00 0.00 C ATOM 0 H VAL A 25 -6.272 7.200 4.107 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.001 4.469 3.165 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.479 6.055 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.009 4.331 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.154 3.634 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.494 3.470 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.269 6.367 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.824 5.622 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.336 7.163 1.609 1.00 0.00 H new ATOM 369 N THR A 26 -6.204 3.507 5.255 1.00 0.00 N ATOM 370 CA THR A 26 -5.674 2.816 6.419 1.00 0.00 C ATOM 371 C THR A 26 -4.977 1.521 5.998 1.00 0.00 C ATOM 372 O THR A 26 -5.584 0.664 5.358 1.00 0.00 O ATOM 373 CB THR A 26 -6.825 2.595 7.402 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.745 3.710 8.286 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.597 1.384 8.308 1.00 0.00 C ATOM 0 H THR A 26 -7.064 3.109 4.878 1.00 0.00 H new ATOM 0 HA THR A 26 -4.910 3.411 6.919 1.00 0.00 H new ATOM 0 HB THR A 26 -7.755 2.464 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.993 3.586 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.443 1.272 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.500 0.486 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.685 1.529 8.887 1.00 0.00 H new ATOM 383 N ILE A 27 -3.711 1.418 6.376 1.00 0.00 N ATOM 384 CA ILE A 27 -2.925 0.242 6.047 1.00 0.00 C ATOM 385 C ILE A 27 -2.981 -0.747 7.213 1.00 0.00 C ATOM 386 O ILE A 27 -2.161 -0.682 8.127 1.00 0.00 O ATOM 387 CB ILE A 27 -1.503 0.642 5.648 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.514 1.553 4.419 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.624 -0.593 5.438 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.059 0.816 3.194 1.00 0.00 C ATOM 0 H ILE A 27 -3.210 2.130 6.907 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.345 -0.265 5.178 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.066 1.212 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.125 2.433 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.503 1.907 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.381 -0.280 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.578 -1.169 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.048 -1.211 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.056 1.487 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.432 -0.050 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.078 0.485 3.392 1.00 0.00 H new ATOM 402 N LEU A 28 -3.957 -1.641 7.142 1.00 0.00 N ATOM 403 CA LEU A 28 -4.131 -2.642 8.181 1.00 0.00 C ATOM 404 C LEU A 28 -2.825 -3.419 8.359 1.00 0.00 C ATOM 405 O LEU A 28 -1.900 -2.943 9.016 1.00 0.00 O ATOM 406 CB LEU A 28 -5.337 -3.531 7.871 1.00 0.00 C ATOM 407 CG LEU A 28 -6.701 -2.838 7.880 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.697 -3.575 6.982 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.226 -2.678 9.308 1.00 0.00 C ATOM 0 H LEU A 28 -4.635 -1.693 6.382 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.352 -2.165 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.188 -3.983 6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.360 -4.344 8.597 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.577 -1.836 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.658 -3.062 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.321 -3.592 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.822 -4.597 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.197 -2.183 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.330 -3.660 9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.525 -2.077 9.888 1.00 0.00 H new ATOM 421 N GLY A 29 -2.790 -4.601 7.762 1.00 0.00 N ATOM 422 CA GLY A 29 -1.612 -5.448 7.846 1.00 0.00 C ATOM 423 C GLY A 29 -1.598 -6.481 6.718 1.00 0.00 C ATOM 424 O GLY A 29 -2.610 -6.693 6.053 1.00 0.00 O ATOM 0 H GLY A 29 -3.559 -4.993 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.713 -4.834 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.593 -5.957 8.810 1.00 0.00 H new ATOM 428 N ALA A 30 -0.439 -7.097 6.537 1.00 0.00 N ATOM 429 CA ALA A 30 -0.279 -8.103 5.501 1.00 0.00 C ATOM 430 C ALA A 30 -0.265 -9.492 6.143 1.00 0.00 C ATOM 431 O ALA A 30 0.063 -9.632 7.320 1.00 0.00 O ATOM 432 CB ALA A 30 0.995 -7.816 4.703 1.00 0.00 C ATOM 0 H ALA A 30 0.399 -6.919 7.091 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.115 -8.071 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.115 -8.571 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.922 -6.830 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.856 -7.842 5.371 1.00 0.00 H new ATOM 438 N LYS A 31 -0.626 -10.483 5.340 1.00 0.00 N ATOM 439 CA LYS A 31 -0.659 -11.855 5.815 1.00 0.00 C ATOM 440 C LYS A 31 -0.244 -12.793 4.680 1.00 0.00 C ATOM 441 O LYS A 31 -0.207 -12.389 3.518 1.00 0.00 O ATOM 442 CB LYS A 31 -2.028 -12.182 6.414 1.00 0.00 C ATOM 443 CG LYS A 31 -3.130 -12.065 5.359 1.00 0.00 C ATOM 444 CD LYS A 31 -3.467 -13.433 4.762 1.00 0.00 C ATOM 445 CE LYS A 31 -4.498 -14.167 5.621 1.00 0.00 C ATOM 446 NZ LYS A 31 -4.023 -15.529 5.950 1.00 0.00 N ATOM 0 H LYS A 31 -0.898 -10.362 4.364 1.00 0.00 H new ATOM 0 HA LYS A 31 0.058 -11.996 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.018 -13.192 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.238 -11.504 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.023 -11.630 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.810 -11.388 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.854 -13.307 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.560 -14.033 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.680 -13.607 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.448 -14.225 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.727 -16.007 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.888 -16.071 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.120 -15.467 6.461 1.00 0.00 H new ATOM 460 N ASP A 32 0.057 -14.028 5.055 1.00 0.00 N ATOM 461 CA ASP A 32 0.467 -15.026 4.082 1.00 0.00 C ATOM 462 C ASP A 32 1.616 -14.469 3.239 1.00 0.00 C ATOM 463 O ASP A 32 1.540 -14.455 2.011 1.00 0.00 O ATOM 464 CB ASP A 32 -0.683 -15.381 3.138 1.00 0.00 C ATOM 465 CG ASP A 32 -1.623 -16.477 3.646 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.484 -16.837 4.835 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.458 -16.929 2.834 1.00 0.00 O ATOM 0 H ASP A 32 0.025 -14.360 6.019 1.00 0.00 H new ATOM 0 HA ASP A 32 0.776 -15.919 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.268 -14.481 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.264 -15.697 2.182 1.00 0.00 H new ATOM 472 N LEU A 33 2.654 -14.024 3.932 1.00 0.00 N ATOM 473 CA LEU A 33 3.817 -13.467 3.262 1.00 0.00 C ATOM 474 C LEU A 33 4.872 -14.562 3.087 1.00 0.00 C ATOM 475 O LEU A 33 4.893 -15.534 3.839 1.00 0.00 O ATOM 476 CB LEU A 33 4.328 -12.235 4.012 1.00 0.00 C ATOM 477 CG LEU A 33 3.906 -10.880 3.441 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.484 -10.940 2.880 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.064 -9.772 4.485 1.00 0.00 C ATOM 0 H LEU A 33 2.714 -14.038 4.950 1.00 0.00 H new ATOM 0 HA LEU A 33 3.551 -13.117 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.985 -12.295 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.417 -12.274 4.035 1.00 0.00 H new ATOM 0 HG LEU A 33 4.569 -10.638 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.209 -9.964 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.438 -11.684 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.791 -11.215 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.757 -8.819 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.440 -9.996 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.107 -9.711 4.796 1.00 0.00 H new ATOM 612 N ARG A 42 11.913 -11.415 7.563 1.00 0.00 N ATOM 613 CA ARG A 42 11.581 -10.492 6.491 1.00 0.00 C ATOM 614 C ARG A 42 11.213 -9.122 7.064 1.00 0.00 C ATOM 615 O ARG A 42 10.771 -9.022 8.207 1.00 0.00 O ATOM 616 CB ARG A 42 10.413 -11.018 5.654 1.00 0.00 C ATOM 617 CG ARG A 42 10.917 -11.787 4.431 1.00 0.00 C ATOM 618 CD ARG A 42 10.439 -11.130 3.134 1.00 0.00 C ATOM 619 NE ARG A 42 8.960 -11.120 3.087 1.00 0.00 N ATOM 620 CZ ARG A 42 8.207 -10.052 3.385 1.00 0.00 C ATOM 621 NH1 ARG A 42 8.789 -8.903 3.753 1.00 0.00 N ATOM 622 NH2 ARG A 42 6.871 -10.135 3.315 1.00 0.00 N ATOM 0 HA ARG A 42 12.458 -10.398 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.787 -11.669 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.788 -10.185 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.006 -11.824 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.562 -12.817 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.820 -10.111 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.835 -11.672 2.275 1.00 0.00 H new ATOM 0 HE ARG A 42 8.484 -11.979 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.806 -8.841 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.215 -8.091 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.428 -11.010 3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.297 -9.323 3.542 1.00 0.00 H new ATOM 636 N ASN A 43 11.410 -8.101 6.243 1.00 0.00 N ATOM 637 CA ASN A 43 11.105 -6.741 6.654 1.00 0.00 C ATOM 638 C ASN A 43 10.057 -6.150 5.708 1.00 0.00 C ATOM 639 O ASN A 43 10.390 -5.378 4.811 1.00 0.00 O ATOM 640 CB ASN A 43 12.350 -5.854 6.592 1.00 0.00 C ATOM 641 CG ASN A 43 13.472 -6.424 7.462 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.244 -7.077 8.466 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.695 -6.140 7.021 1.00 0.00 N ATOM 0 H ASN A 43 11.777 -8.188 5.295 1.00 0.00 H new ATOM 0 HA ASN A 43 10.736 -6.774 7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.691 -5.771 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.101 -4.847 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.512 -6.475 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.816 -5.588 6.172 1.00 0.00 H new ATOM 650 N PRO A 44 8.778 -6.547 5.948 1.00 0.00 N ATOM 651 CA PRO A 44 7.679 -6.065 5.129 1.00 0.00 C ATOM 652 C PRO A 44 7.331 -4.616 5.475 1.00 0.00 C ATOM 653 O PRO A 44 7.559 -4.170 6.599 1.00 0.00 O ATOM 654 CB PRO A 44 6.536 -7.031 5.397 1.00 0.00 C ATOM 655 CG PRO A 44 6.883 -7.736 6.698 1.00 0.00 C ATOM 656 CD PRO A 44 8.346 -7.461 7.002 1.00 0.00 C ATOM 0 HA PRO A 44 7.924 -6.043 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.588 -6.500 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.430 -7.746 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.250 -7.374 7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.706 -8.808 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.468 -7.014 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.932 -8.380 6.994 1.00 0.00 H new ATOM 664 N TYR A 45 6.784 -3.921 4.489 1.00 0.00 N ATOM 665 CA TYR A 45 6.402 -2.531 4.675 1.00 0.00 C ATOM 666 C TYR A 45 5.699 -1.985 3.431 1.00 0.00 C ATOM 667 O TYR A 45 6.272 -1.979 2.342 1.00 0.00 O ATOM 668 CB TYR A 45 7.707 -1.761 4.888 1.00 0.00 C ATOM 669 CG TYR A 45 8.326 -1.216 3.600 1.00 0.00 C ATOM 670 CD1 TYR A 45 7.903 -0.005 3.090 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.306 -1.934 2.947 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.485 0.509 1.877 1.00 0.00 C ATOM 673 CE2 TYR A 45 9.889 -1.421 1.735 1.00 0.00 C ATOM 674 CZ TYR A 45 9.450 -0.225 1.259 1.00 0.00 C ATOM 675 OH TYR A 45 10.000 0.260 0.114 1.00 0.00 O ATOM 0 H TYR A 45 6.596 -4.294 3.558 1.00 0.00 H new ATOM 0 HA TYR A 45 5.715 -2.430 5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.520 -0.930 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.428 -2.417 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.135 0.557 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.636 -2.882 3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.163 1.455 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.658 -1.973 1.215 1.00 0.00 H new ATOM 0 HH TYR A 45 10.676 -0.368 -0.216 1.00 0.00 H new ATOM 685 N VAL A 46 4.468 -1.539 3.634 1.00 0.00 N ATOM 686 CA VAL A 46 3.681 -0.992 2.542 1.00 0.00 C ATOM 687 C VAL A 46 4.118 0.450 2.276 1.00 0.00 C ATOM 688 O VAL A 46 4.688 1.101 3.151 1.00 0.00 O ATOM 689 CB VAL A 46 2.189 -1.115 2.860 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.345 -0.972 1.592 1.00 0.00 C ATOM 691 CG2 VAL A 46 1.888 -2.434 3.574 1.00 0.00 C ATOM 0 H VAL A 46 3.996 -1.545 4.538 1.00 0.00 H new ATOM 0 HA VAL A 46 3.853 -1.558 1.626 1.00 0.00 H new ATOM 0 HB VAL A 46 1.921 -0.301 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.289 -1.063 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.527 0.004 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.617 -1.755 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.821 -2.496 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.179 -3.268 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.449 -2.479 4.507 1.00 0.00 H new ATOM 701 N LYS A 47 3.836 0.907 1.065 1.00 0.00 N ATOM 702 CA LYS A 47 4.193 2.259 0.673 1.00 0.00 C ATOM 703 C LYS A 47 3.131 2.806 -0.284 1.00 0.00 C ATOM 704 O LYS A 47 3.008 2.335 -1.413 1.00 0.00 O ATOM 705 CB LYS A 47 5.612 2.295 0.102 1.00 0.00 C ATOM 706 CG LYS A 47 6.181 3.715 0.135 1.00 0.00 C ATOM 707 CD LYS A 47 6.928 4.036 -1.162 1.00 0.00 C ATOM 708 CE LYS A 47 8.103 3.079 -1.369 1.00 0.00 C ATOM 709 NZ LYS A 47 9.359 3.686 -0.877 1.00 0.00 N ATOM 0 H LYS A 47 3.364 0.364 0.342 1.00 0.00 H new ATOM 0 HA LYS A 47 4.208 2.916 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.256 1.628 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.604 1.926 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.372 4.431 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.857 3.820 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.243 3.965 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.292 5.063 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.914 2.143 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.200 2.836 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.146 3.023 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.546 4.567 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.269 3.895 0.138 1.00 0.00 H new ATOM 723 N ILE A 48 2.393 3.792 0.204 1.00 0.00 N ATOM 724 CA ILE A 48 1.346 4.407 -0.594 1.00 0.00 C ATOM 725 C ILE A 48 1.929 5.593 -1.366 1.00 0.00 C ATOM 726 O ILE A 48 2.659 6.406 -0.802 1.00 0.00 O ATOM 727 CB ILE A 48 0.148 4.774 0.285 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.386 3.547 1.025 1.00 0.00 C ATOM 729 CG2 ILE A 48 -0.941 5.469 -0.535 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.459 3.803 2.531 1.00 0.00 C ATOM 0 H ILE A 48 2.499 4.180 1.141 1.00 0.00 H new ATOM 0 HA ILE A 48 0.966 3.701 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 48 0.484 5.484 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.376 3.293 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.259 2.691 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.781 5.719 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.538 6.381 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.281 4.803 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.842 2.914 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.537 4.033 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.124 4.644 2.725 1.00 0.00 H new ATOM 742 N TYR A 49 1.584 5.653 -2.644 1.00 0.00 N ATOM 743 CA TYR A 49 2.064 6.725 -3.499 1.00 0.00 C ATOM 744 C TYR A 49 0.949 7.240 -4.411 1.00 0.00 C ATOM 745 O TYR A 49 0.671 6.647 -5.453 1.00 0.00 O ATOM 746 CB TYR A 49 3.171 6.114 -4.361 1.00 0.00 C ATOM 747 CG TYR A 49 4.575 6.612 -4.014 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.856 7.963 -4.045 1.00 0.00 C ATOM 749 CD2 TYR A 49 5.562 5.710 -3.672 1.00 0.00 C ATOM 750 CE1 TYR A 49 6.178 8.431 -3.719 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.884 6.178 -3.346 1.00 0.00 C ATOM 752 CZ TYR A 49 7.127 7.516 -3.385 1.00 0.00 C ATOM 753 OH TYR A 49 8.376 7.958 -3.078 1.00 0.00 O ATOM 0 H TYR A 49 0.978 4.976 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 49 2.416 7.565 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.144 5.030 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.966 6.336 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.084 8.669 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.343 4.653 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.411 9.485 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.665 5.483 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 49 8.949 7.194 -2.858 1.00 0.00 H new ATOM 763 N PHE A 50 0.340 8.338 -3.987 1.00 0.00 N ATOM 764 CA PHE A 50 -0.738 8.939 -4.753 1.00 0.00 C ATOM 765 C PHE A 50 -0.199 9.646 -5.998 1.00 0.00 C ATOM 766 O PHE A 50 0.680 10.500 -5.899 1.00 0.00 O ATOM 767 CB PHE A 50 -1.410 9.972 -3.846 1.00 0.00 C ATOM 768 CG PHE A 50 -2.925 10.073 -4.033 1.00 0.00 C ATOM 769 CD1 PHE A 50 -3.504 9.589 -5.164 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.692 10.648 -3.068 1.00 0.00 C ATOM 771 CE1 PHE A 50 -4.910 9.683 -5.338 1.00 0.00 C ATOM 772 CE2 PHE A 50 -5.098 10.742 -3.242 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.678 10.258 -4.374 1.00 0.00 C ATOM 0 H PHE A 50 0.573 8.827 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.436 8.168 -5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.199 9.720 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.965 10.949 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.894 9.133 -5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.232 11.033 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.370 9.298 -6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.707 11.198 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.747 10.330 -4.507 1.00 0.00 H new ATOM 783 N LEU A 51 -0.748 9.263 -7.142 1.00 0.00 N ATOM 784 CA LEU A 51 -0.333 9.849 -8.405 1.00 0.00 C ATOM 785 C LEU A 51 -1.394 10.847 -8.872 1.00 0.00 C ATOM 786 O LEU A 51 -2.559 10.744 -8.490 1.00 0.00 O ATOM 787 CB LEU A 51 -0.024 8.754 -9.428 1.00 0.00 C ATOM 788 CG LEU A 51 0.366 7.391 -8.854 1.00 0.00 C ATOM 789 CD1 LEU A 51 -0.115 6.256 -9.762 1.00 0.00 C ATOM 790 CD2 LEU A 51 1.871 7.316 -8.592 1.00 0.00 C ATOM 0 H LEU A 51 -1.477 8.554 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 51 0.595 10.406 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.899 8.621 -10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.786 9.101 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.134 7.270 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.175 5.298 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.200 6.299 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.337 6.362 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.121 6.337 -8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.411 7.469 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.155 8.089 -7.878 1.00 0.00 H new ATOM 933 N ARG A 60 3.139 8.599 1.497 1.00 0.00 N ATOM 934 CA ARG A 60 2.989 8.191 2.883 1.00 0.00 C ATOM 935 C ARG A 60 3.008 6.665 2.993 1.00 0.00 C ATOM 936 O ARG A 60 2.176 5.986 2.394 1.00 0.00 O ATOM 937 CB ARG A 60 1.682 8.722 3.475 1.00 0.00 C ATOM 938 CG ARG A 60 1.881 10.110 4.088 1.00 0.00 C ATOM 939 CD ARG A 60 1.985 10.026 5.612 1.00 0.00 C ATOM 940 NE ARG A 60 0.791 10.639 6.236 1.00 0.00 N ATOM 941 CZ ARG A 60 0.739 11.059 7.507 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.813 10.934 8.298 1.00 0.00 N ATOM 943 NH2 ARG A 60 -0.388 11.603 7.987 1.00 0.00 N ATOM 0 HA ARG A 60 3.825 8.609 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.920 8.770 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.317 8.033 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.785 10.564 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.048 10.756 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.073 8.985 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.886 10.537 5.952 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.045 10.749 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.670 10.519 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.774 11.254 9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.206 11.697 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.428 11.923 8.955 1.00 0.00 H new ATOM 957 N ARG A 61 3.967 6.171 3.762 1.00 0.00 N ATOM 958 CA ARG A 61 4.105 4.738 3.958 1.00 0.00 C ATOM 959 C ARG A 61 4.042 4.397 5.448 1.00 0.00 C ATOM 960 O ARG A 61 4.218 5.270 6.297 1.00 0.00 O ATOM 961 CB ARG A 61 5.427 4.228 3.381 1.00 0.00 C ATOM 962 CG ARG A 61 6.615 4.731 4.204 1.00 0.00 C ATOM 963 CD ARG A 61 7.127 6.069 3.667 1.00 0.00 C ATOM 964 NE ARG A 61 7.778 6.834 4.754 1.00 0.00 N ATOM 965 CZ ARG A 61 8.972 6.527 5.278 1.00 0.00 C ATOM 966 NH1 ARG A 61 9.652 5.468 4.819 1.00 0.00 N ATOM 967 NH2 ARG A 61 9.485 7.278 6.262 1.00 0.00 N ATOM 0 H ARG A 61 4.656 6.738 4.257 1.00 0.00 H new ATOM 0 HA ARG A 61 3.281 4.251 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.425 3.138 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.529 4.560 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.318 4.843 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.418 3.994 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.835 5.898 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.300 6.644 3.251 1.00 0.00 H new ATOM 0 HE ARG A 61 7.287 7.646 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.261 4.896 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.561 5.234 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.966 8.083 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.394 7.044 6.661 1.00 0.00 H new ATOM 981 N THR A 62 3.790 3.125 5.722 1.00 0.00 N ATOM 982 CA THR A 62 3.702 2.658 7.095 1.00 0.00 C ATOM 983 C THR A 62 5.098 2.374 7.652 1.00 0.00 C ATOM 984 O THR A 62 6.062 2.266 6.896 1.00 0.00 O ATOM 985 CB THR A 62 2.777 1.440 7.121 1.00 0.00 C ATOM 986 OG1 THR A 62 3.352 0.547 6.172 1.00 0.00 O ATOM 987 CG2 THR A 62 1.389 1.745 6.553 1.00 0.00 C ATOM 0 H THR A 62 3.644 2.403 5.016 1.00 0.00 H new ATOM 0 HA THR A 62 3.276 3.421 7.746 1.00 0.00 H new ATOM 0 HB THR A 62 2.678 1.082 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.483 -0.331 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.773 0.847 6.595 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.921 2.534 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.483 2.072 5.517 1.00 0.00 H new ATOM 995 N LYS A 63 5.162 2.260 8.971 1.00 0.00 N ATOM 996 CA LYS A 63 6.423 1.990 9.639 1.00 0.00 C ATOM 997 C LYS A 63 6.995 0.667 9.124 1.00 0.00 C ATOM 998 O LYS A 63 6.246 -0.253 8.800 1.00 0.00 O ATOM 999 CB LYS A 63 6.246 2.033 11.158 1.00 0.00 C ATOM 1000 CG LYS A 63 4.994 1.265 11.585 1.00 0.00 C ATOM 1001 CD LYS A 63 5.137 0.734 13.013 1.00 0.00 C ATOM 1002 CE LYS A 63 4.194 -0.445 13.257 1.00 0.00 C ATOM 1003 NZ LYS A 63 2.896 0.030 13.786 1.00 0.00 N ATOM 0 H LYS A 63 4.360 2.350 9.595 1.00 0.00 H new ATOM 0 HA LYS A 63 7.151 2.766 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.123 1.604 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.173 3.069 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.123 1.918 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.821 0.435 10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.167 0.423 13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.920 1.531 13.724 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.036 -0.991 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.648 -1.141 13.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.268 -0.783 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.050 0.531 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.457 0.677 13.100 1.00 0.00 H new ATOM 1017 N THR A 64 8.318 0.615 9.063 1.00 0.00 N ATOM 1018 CA THR A 64 8.998 -0.580 8.593 1.00 0.00 C ATOM 1019 C THR A 64 9.092 -1.617 9.714 1.00 0.00 C ATOM 1020 O THR A 64 9.756 -1.387 10.723 1.00 0.00 O ATOM 1021 CB THR A 64 10.361 -0.160 8.038 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.043 0.607 6.880 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.161 -1.345 7.492 1.00 0.00 C ATOM 0 H THR A 64 8.936 1.381 9.331 1.00 0.00 H new ATOM 0 HA THR A 64 8.439 -1.064 7.792 1.00 0.00 H new ATOM 0 HB THR A 64 10.935 0.335 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.870 0.921 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.119 -0.992 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.332 -2.067 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.602 -1.820 6.686 1.00 0.00 H new ATOM 1031 N VAL A 65 8.416 -2.736 9.499 1.00 0.00 N ATOM 1032 CA VAL A 65 8.415 -3.809 10.479 1.00 0.00 C ATOM 1033 C VAL A 65 9.553 -4.782 10.165 1.00 0.00 C ATOM 1034 O VAL A 65 9.759 -5.150 9.010 1.00 0.00 O ATOM 1035 CB VAL A 65 7.043 -4.485 10.513 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.635 -4.828 11.947 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.984 -3.612 9.836 1.00 0.00 C ATOM 0 H VAL A 65 7.865 -2.923 8.661 1.00 0.00 H new ATOM 0 HA VAL A 65 8.593 -3.413 11.479 1.00 0.00 H new ATOM 0 HB VAL A 65 7.116 -5.418 9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.656 -5.307 11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.369 -5.506 12.382 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.589 -3.915 12.540 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.018 -4.116 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.915 -2.656 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.263 -3.441 8.796 1.00 0.00 H new ATOM 1047 N LYS A 66 10.262 -5.171 11.215 1.00 0.00 N ATOM 1048 CA LYS A 66 11.374 -6.094 11.065 1.00 0.00 C ATOM 1049 C LYS A 66 11.034 -7.413 11.762 1.00 0.00 C ATOM 1050 O LYS A 66 10.512 -7.414 12.876 1.00 0.00 O ATOM 1051 CB LYS A 66 12.672 -5.454 11.561 1.00 0.00 C ATOM 1052 CG LYS A 66 13.007 -4.198 10.755 1.00 0.00 C ATOM 1053 CD LYS A 66 14.395 -4.307 10.120 1.00 0.00 C ATOM 1054 CE LYS A 66 15.241 -3.072 10.435 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.682 -3.406 10.393 1.00 0.00 N ATOM 0 H LYS A 66 10.088 -4.864 12.172 1.00 0.00 H new ATOM 0 HA LYS A 66 11.540 -6.322 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.575 -5.198 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.489 -6.171 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.258 -4.050 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.968 -3.324 11.405 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.898 -5.201 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.297 -4.419 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.024 -2.282 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.980 -2.687 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.242 -2.557 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.888 -4.144 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.931 -3.752 9.444 1.00 0.00 H new ATOM 1069 N LYS A 67 11.343 -8.505 11.078 1.00 0.00 N ATOM 1070 CA LYS A 67 11.076 -9.827 11.617 1.00 0.00 C ATOM 1071 C LYS A 67 9.575 -9.975 11.873 1.00 0.00 C ATOM 1072 O LYS A 67 9.134 -9.966 13.021 1.00 0.00 O ATOM 1073 CB LYS A 67 11.939 -10.085 12.854 1.00 0.00 C ATOM 1074 CG LYS A 67 13.391 -9.671 12.605 1.00 0.00 C ATOM 1075 CD LYS A 67 14.112 -9.383 13.923 1.00 0.00 C ATOM 1076 CE LYS A 67 15.280 -10.349 14.132 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.946 -10.084 15.427 1.00 0.00 N ATOM 0 H LYS A 67 11.776 -8.501 10.155 1.00 0.00 H new ATOM 0 HA LYS A 67 11.354 -10.596 10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.539 -9.530 13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.898 -11.142 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.912 -10.463 12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.417 -8.785 11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.480 -8.357 13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.410 -9.471 14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.919 -11.377 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.998 -10.243 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.736 -10.748 15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.308 -9.109 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.262 -10.208 16.201 1.00 0.00 H new ATOM 1091 N THR A 68 8.832 -10.110 10.784 1.00 0.00 N ATOM 1092 CA THR A 68 7.390 -10.260 10.877 1.00 0.00 C ATOM 1093 C THR A 68 6.786 -10.476 9.488 1.00 0.00 C ATOM 1094 O THR A 68 6.841 -9.588 8.638 1.00 0.00 O ATOM 1095 CB THR A 68 6.832 -9.031 11.597 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.671 -9.518 12.266 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.290 -7.979 10.628 1.00 0.00 C ATOM 0 H THR A 68 9.202 -10.119 9.833 1.00 0.00 H new ATOM 0 HA THR A 68 7.121 -11.144 11.456 1.00 0.00 H new ATOM 0 HB THR A 68 7.613 -8.587 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.247 -8.786 12.760 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.906 -7.128 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.091 -7.646 9.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.486 -8.412 10.033 1.00 0.00 H new ATOM 1105 N LEU A 69 6.224 -11.660 9.299 1.00 0.00 N ATOM 1106 CA LEU A 69 5.610 -12.004 8.028 1.00 0.00 C ATOM 1107 C LEU A 69 4.201 -11.411 7.969 1.00 0.00 C ATOM 1108 O LEU A 69 3.626 -11.274 6.891 1.00 0.00 O ATOM 1109 CB LEU A 69 5.651 -13.518 7.805 1.00 0.00 C ATOM 1110 CG LEU A 69 7.032 -14.170 7.884 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.916 -15.695 7.929 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.928 -13.697 6.738 1.00 0.00 C ATOM 0 H LEU A 69 6.181 -12.394 10.006 1.00 0.00 H new ATOM 0 HA LEU A 69 6.173 -11.568 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.005 -13.992 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.225 -13.733 6.825 1.00 0.00 H new ATOM 0 HG LEU A 69 7.506 -13.855 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.912 -16.134 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.339 -15.990 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.414 -16.048 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.904 -14.176 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.470 -13.963 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.049 -12.615 6.793 1.00 0.00 H new ATOM 1124 N GLU A 70 3.686 -11.076 9.143 1.00 0.00 N ATOM 1125 CA GLU A 70 2.355 -10.501 9.239 1.00 0.00 C ATOM 1126 C GLU A 70 2.397 -9.195 10.034 1.00 0.00 C ATOM 1127 O GLU A 70 2.145 -9.189 11.238 1.00 0.00 O ATOM 1128 CB GLU A 70 1.373 -11.493 9.866 1.00 0.00 C ATOM 1129 CG GLU A 70 0.890 -12.514 8.833 1.00 0.00 C ATOM 1130 CD GLU A 70 0.991 -13.939 9.381 1.00 0.00 C ATOM 1131 OE1 GLU A 70 2.095 -14.514 9.267 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.038 -14.420 9.903 1.00 0.00 O ATOM 0 H GLU A 70 4.166 -11.192 10.035 1.00 0.00 H new ATOM 0 HA GLU A 70 2.003 -10.279 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.854 -12.010 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.519 -10.954 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.143 -12.298 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.486 -12.427 7.924 1.00 0.00 H new ATOM 1139 N PRO A 71 2.725 -8.092 9.310 1.00 0.00 N ATOM 1140 CA PRO A 71 2.803 -6.782 9.935 1.00 0.00 C ATOM 1141 C PRO A 71 1.406 -6.225 10.217 1.00 0.00 C ATOM 1142 O PRO A 71 0.425 -6.669 9.623 1.00 0.00 O ATOM 1143 CB PRO A 71 3.598 -5.928 8.961 1.00 0.00 C ATOM 1144 CG PRO A 71 3.536 -6.652 7.626 1.00 0.00 C ATOM 1145 CD PRO A 71 3.029 -8.061 7.883 1.00 0.00 C ATOM 0 HA PRO A 71 3.291 -6.809 10.909 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.174 -4.927 8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.629 -5.812 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.873 -6.127 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.521 -6.680 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.144 -8.278 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.781 -8.806 7.622 1.00 0.00 H new ATOM 1153 N LYS A 72 1.361 -5.259 11.123 1.00 0.00 N ATOM 1154 CA LYS A 72 0.101 -4.636 11.490 1.00 0.00 C ATOM 1155 C LYS A 72 0.323 -3.138 11.711 1.00 0.00 C ATOM 1156 O LYS A 72 0.637 -2.711 12.821 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.519 -5.350 12.693 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.987 -6.757 12.314 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.207 -7.170 13.139 1.00 0.00 C ATOM 1160 CE LYS A 72 -2.217 -8.680 13.385 1.00 0.00 C ATOM 1161 NZ LYS A 72 -3.588 -9.219 13.238 1.00 0.00 N ATOM 0 H LYS A 72 2.177 -4.893 11.614 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.623 -4.735 10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.211 -5.411 13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.363 -4.771 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.234 -6.788 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.177 -7.469 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.201 -6.643 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.119 -6.877 12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.548 -9.174 12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.841 -8.894 14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.578 -10.245 13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.217 -8.760 13.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.933 -9.031 12.275 1.00 0.00 H new ATOM 1175 N TRP A 73 0.150 -2.382 10.637 1.00 0.00 N ATOM 1176 CA TRP A 73 0.328 -0.941 10.700 1.00 0.00 C ATOM 1177 C TRP A 73 -0.984 -0.325 11.191 1.00 0.00 C ATOM 1178 O TRP A 73 -0.973 0.607 11.994 1.00 0.00 O ATOM 1179 CB TRP A 73 0.780 -0.385 9.348 1.00 0.00 C ATOM 1180 CG TRP A 73 1.855 -1.227 8.658 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.183 -1.165 8.822 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.637 -2.266 7.680 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.835 -2.085 8.025 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.864 -2.775 7.309 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.442 -2.760 7.128 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.016 -3.804 6.371 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.610 -3.787 6.193 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.839 -4.311 5.808 1.00 0.00 C ATOM 0 H TRP A 73 -0.111 -2.740 9.718 1.00 0.00 H new ATOM 0 HA TRP A 73 1.120 -0.680 11.402 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -0.086 -0.309 8.690 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.161 0.626 9.491 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.681 -0.481 9.493 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.843 -2.231 7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.529 -2.377 7.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.989 -4.186 6.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.277 -4.202 5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.885 -5.106 5.078 1.00 0.00 H new ATOM 1199 N ASN A 74 -2.082 -0.869 10.689 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.398 -0.384 11.066 1.00 0.00 C ATOM 1201 C ASN A 74 -3.349 1.136 11.230 1.00 0.00 C ATOM 1202 O ASN A 74 -4.032 1.694 12.087 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.847 -0.989 12.398 1.00 0.00 C ATOM 1204 CG ASN A 74 -5.080 -1.876 12.210 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -6.199 -1.499 12.515 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -4.812 -3.071 11.693 1.00 0.00 N ATOM 0 H ASN A 74 -2.087 -1.642 10.024 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.100 -0.672 10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.035 -1.576 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.073 -0.192 13.106 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.567 -3.737 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.851 -3.322 11.460 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.534 1.763 10.394 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.387 3.208 10.436 1.00 0.00 C ATOM 1215 C GLN A 75 -3.457 3.876 9.569 1.00 0.00 C ATOM 1216 O GLN A 75 -4.288 3.196 8.969 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.984 3.629 9.995 1.00 0.00 C ATOM 1218 CG GLN A 75 0.037 3.385 11.109 1.00 0.00 C ATOM 1219 CD GLN A 75 0.603 4.706 11.633 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.033 5.359 12.492 1.00 0.00 O ATOM 1221 NE2 GLN A 75 1.754 5.062 11.070 1.00 0.00 N ATOM 0 H GLN A 75 -1.969 1.297 9.684 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.523 3.538 11.466 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.696 3.071 9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.986 4.685 9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.434 2.838 11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.848 2.761 10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.178 4.469 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.213 5.928 11.352 1.00 0.00 H new ATOM 1230 N THR A 76 -3.402 5.199 9.533 1.00 0.00 N ATOM 1231 CA THR A 76 -4.357 5.966 8.750 1.00 0.00 C ATOM 1232 C THR A 76 -3.633 7.026 7.917 1.00 0.00 C ATOM 1233 O THR A 76 -2.600 7.548 8.332 1.00 0.00 O ATOM 1234 CB THR A 76 -5.394 6.552 9.710 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.397 5.543 9.795 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.127 7.757 9.117 1.00 0.00 C ATOM 0 H THR A 76 -2.712 5.760 10.033 1.00 0.00 H new ATOM 0 HA THR A 76 -4.879 5.333 8.032 1.00 0.00 H new ATOM 0 HB THR A 76 -4.904 6.847 10.638 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.596 5.203 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.851 8.134 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.407 8.541 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.646 7.456 8.207 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.205 7.312 6.756 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.627 8.301 5.861 1.00 0.00 C ATOM 1246 C PHE A 77 -4.718 9.151 5.207 1.00 0.00 C ATOM 1247 O PHE A 77 -5.506 8.649 4.408 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.874 7.533 4.773 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.624 6.808 5.275 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.640 7.506 5.904 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.495 5.467 5.092 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.521 6.834 6.369 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.334 4.795 5.557 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.649 5.492 6.186 1.00 0.00 C ATOM 0 H PHE A 77 -5.062 6.877 6.415 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.969 8.968 6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.549 6.804 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.586 8.229 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.742 8.571 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.276 4.913 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.302 7.388 6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.232 3.730 5.411 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.532 4.980 6.540 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.728 10.425 5.570 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.708 11.350 5.028 1.00 0.00 C ATOM 1266 C ILE A 78 -5.102 12.087 3.832 1.00 0.00 C ATOM 1267 O ILE A 78 -4.185 12.891 3.994 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.229 12.282 6.125 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.135 11.528 7.101 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.927 13.503 5.521 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.288 12.299 8.413 1.00 0.00 C ATOM 0 H ILE A 78 -4.073 10.838 6.233 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.580 10.809 4.660 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.376 12.648 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.115 11.374 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.718 10.541 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.288 14.149 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.222 14.055 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.769 13.176 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.936 11.742 9.089 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.309 12.430 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.728 13.276 8.212 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.639 11.786 2.659 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.162 12.409 1.436 1.00 0.00 C ATOM 1285 C TYR A 79 -6.178 13.422 0.904 1.00 0.00 C ATOM 1286 O TYR A 79 -7.270 13.046 0.479 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.007 11.278 0.418 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.571 10.774 0.262 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.522 11.670 0.252 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.324 9.422 0.131 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.170 11.196 0.105 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -1.973 8.948 -0.016 1.00 0.00 C ATOM 1293 CZ TYR A 79 -0.963 9.858 -0.022 1.00 0.00 C ATOM 1294 OH TYR A 79 0.314 9.410 -0.161 1.00 0.00 O ATOM 0 H TYR A 79 -6.400 11.119 2.529 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.227 12.940 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.643 10.445 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.367 11.623 -0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.715 12.728 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.145 8.720 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.340 11.887 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.766 7.893 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 79 0.311 8.433 -0.240 1.00 0.00 H new ATOM 1304 N SER A 80 -5.784 14.686 0.946 1.00 0.00 N ATOM 1305 CA SER A 80 -6.647 15.755 0.474 1.00 0.00 C ATOM 1306 C SER A 80 -5.807 16.862 -0.167 1.00 0.00 C ATOM 1307 O SER A 80 -4.597 16.930 0.047 1.00 0.00 O ATOM 1308 CB SER A 80 -7.493 16.324 1.614 1.00 0.00 C ATOM 1309 OG SER A 80 -7.127 17.664 1.933 1.00 0.00 O ATOM 0 H SER A 80 -4.878 14.994 1.300 1.00 0.00 H new ATOM 0 HA SER A 80 -7.324 15.342 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.546 16.293 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.379 15.697 2.498 1.00 0.00 H new ATOM 0 HG SER A 80 -7.691 17.992 2.664 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.499 17.723 -0.960 1.00 0.00 N ATOM 1316 CA PRO A 81 -7.930 17.570 -1.160 1.00 0.00 C ATOM 1317 C PRO A 81 -8.230 16.405 -2.104 1.00 0.00 C ATOM 1318 O PRO A 81 -7.507 16.184 -3.074 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.396 18.911 -1.704 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.148 19.606 -2.226 1.00 0.00 C ATOM 1321 CD PRO A 81 -5.939 18.860 -1.685 1.00 0.00 C ATOM 0 HA PRO A 81 -8.460 17.322 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.129 18.776 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.876 19.503 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.139 19.608 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.129 20.648 -1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.283 18.531 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.344 19.494 -1.028 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.300 15.689 -1.787 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.705 14.552 -2.595 1.00 0.00 C ATOM 1331 C VAL A 82 -11.223 14.582 -2.786 1.00 0.00 C ATOM 1332 O VAL A 82 -11.975 14.269 -1.864 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.209 13.253 -1.956 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -9.942 12.042 -2.537 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.695 13.106 -2.117 1.00 0.00 C ATOM 0 H VAL A 82 -9.898 15.875 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.252 14.606 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.430 13.299 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.571 11.132 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.011 12.139 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.767 11.992 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.369 12.175 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.441 13.093 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.195 13.946 -1.635 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.628 14.963 -3.989 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.043 15.039 -4.313 1.00 0.00 C ATOM 1347 C HIS A 83 -13.508 13.702 -4.895 1.00 0.00 C ATOM 1348 O HIS A 83 -12.689 12.869 -5.278 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.325 16.221 -5.242 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.519 17.534 -4.523 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -14.557 18.402 -4.815 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -12.798 18.118 -3.524 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -14.455 19.458 -4.020 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -13.364 19.280 -3.221 1.00 0.00 N ATOM 0 H HIS A 83 -11.001 15.222 -4.751 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.619 15.221 -3.406 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.499 16.322 -5.945 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.218 16.004 -5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.916 17.705 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.119 20.310 -4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.037 19.932 -2.508 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.822 13.540 -4.943 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.407 12.319 -5.471 1.00 0.00 C ATOM 1364 C ARG A 84 -15.388 12.341 -7.001 1.00 0.00 C ATOM 1365 O ARG A 84 -15.440 11.292 -7.641 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.848 12.144 -4.988 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.317 10.700 -5.173 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.678 9.779 -4.132 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.259 8.421 -4.233 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.515 8.114 -3.883 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.330 9.066 -3.409 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.957 6.855 -4.009 1.00 0.00 N ATOM 0 H ARG A 84 -15.498 14.234 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.811 11.482 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -16.919 12.421 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.504 12.817 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.403 10.653 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.060 10.356 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.600 9.735 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.840 10.180 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.666 7.673 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -18.994 10.024 -3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.286 8.832 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.337 6.131 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -19.913 6.621 -3.742 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.314 13.548 -7.543 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.288 13.721 -8.986 1.00 0.00 C ATOM 1388 C ARG A 85 -13.860 13.564 -9.513 1.00 0.00 C ATOM 1389 O ARG A 85 -13.627 13.650 -10.718 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.825 15.097 -9.386 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.823 16.199 -9.036 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.407 16.979 -10.285 1.00 0.00 C ATOM 1393 NE ARG A 85 -13.114 17.659 -10.050 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.669 18.697 -10.772 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -13.411 19.180 -11.778 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.483 19.251 -10.487 1.00 0.00 N ATOM 0 H ARG A 85 -15.271 14.416 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.927 12.954 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -16.031 15.114 -10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.770 15.285 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.265 16.880 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.943 15.759 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.322 16.302 -11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.173 17.713 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.525 17.317 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.314 18.758 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.073 19.970 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.919 18.883 -9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.144 20.041 -11.036 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.942 13.338 -8.585 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.544 13.169 -8.941 1.00 0.00 C ATOM 1412 C GLU A 86 -11.166 11.686 -8.920 1.00 0.00 C ATOM 1413 O GLU A 86 -10.095 11.308 -9.393 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.639 13.978 -8.011 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.745 15.475 -8.309 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.378 16.060 -8.672 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.737 15.484 -9.578 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.006 17.070 -8.037 1.00 0.00 O ATOM 0 H GLU A 86 -13.139 13.268 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.400 13.547 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.916 13.790 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.606 13.652 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.444 15.637 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.148 15.995 -7.440 1.00 0.00 H new ATOM 1425 N PHE A 87 -12.066 10.887 -8.367 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.841 9.454 -8.278 1.00 0.00 C ATOM 1427 C PHE A 87 -11.674 8.838 -9.668 1.00 0.00 C ATOM 1428 O PHE A 87 -10.840 7.955 -9.864 1.00 0.00 O ATOM 1429 CB PHE A 87 -13.076 8.848 -7.609 1.00 0.00 C ATOM 1430 CG PHE A 87 -13.018 8.845 -6.080 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.098 9.611 -5.434 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.886 8.078 -5.368 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.045 9.609 -4.015 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.832 8.076 -3.949 1.00 0.00 C ATOM 1435 CZ PHE A 87 -12.912 8.841 -3.302 1.00 0.00 C ATOM 0 H PHE A 87 -12.953 11.205 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.932 9.255 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.958 9.403 -7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.200 7.823 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.409 10.220 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.616 7.470 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.316 10.218 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.522 7.467 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.870 8.839 -2.223 1.00 0.00 H new ATOM 1445 N ARG A 88 -12.480 9.328 -10.598 1.00 0.00 N ATOM 1446 CA ARG A 88 -12.432 8.836 -11.965 1.00 0.00 C ATOM 1447 C ARG A 88 -11.339 9.562 -12.752 1.00 0.00 C ATOM 1448 O ARG A 88 -11.191 9.350 -13.955 1.00 0.00 O ATOM 1449 CB ARG A 88 -13.776 9.035 -12.669 1.00 0.00 C ATOM 1450 CG ARG A 88 -14.341 10.429 -12.390 1.00 0.00 C ATOM 1451 CD ARG A 88 -15.370 10.827 -13.449 1.00 0.00 C ATOM 1452 NE ARG A 88 -14.698 11.505 -14.580 1.00 0.00 N ATOM 1453 CZ ARG A 88 -15.273 11.734 -15.768 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -16.535 11.341 -15.988 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -14.586 12.356 -16.736 1.00 0.00 N ATOM 0 H ARG A 88 -13.170 10.061 -10.432 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.209 7.770 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.652 8.898 -13.743 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.483 8.278 -12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.804 10.446 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.530 11.157 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.897 9.942 -13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.118 11.488 -13.011 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.736 11.818 -14.446 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.058 10.868 -15.251 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.973 11.515 -16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.625 12.655 -16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.024 12.530 -17.641 1.00 0.00 H new ATOM 1469 N GLU A 89 -10.602 10.403 -12.041 1.00 0.00 N ATOM 1470 CA GLU A 89 -9.527 11.161 -12.659 1.00 0.00 C ATOM 1471 C GLU A 89 -8.209 10.908 -11.923 1.00 0.00 C ATOM 1472 O GLU A 89 -7.191 11.523 -12.238 1.00 0.00 O ATOM 1473 CB GLU A 89 -9.859 12.654 -12.693 1.00 0.00 C ATOM 1474 CG GLU A 89 -11.319 12.883 -13.088 1.00 0.00 C ATOM 1475 CD GLU A 89 -11.648 14.376 -13.131 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -10.785 15.161 -12.682 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -12.755 14.700 -13.613 1.00 0.00 O ATOM 0 H GLU A 89 -10.728 10.576 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.416 10.824 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.670 13.094 -11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.203 13.160 -13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.510 12.437 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.975 12.383 -12.375 1.00 0.00 H new ATOM 1484 N ARG A 90 -8.272 10.003 -10.958 1.00 0.00 N ATOM 1485 CA ARG A 90 -7.096 9.662 -10.175 1.00 0.00 C ATOM 1486 C ARG A 90 -7.193 8.220 -9.672 1.00 0.00 C ATOM 1487 O ARG A 90 -8.290 7.684 -9.522 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.939 10.602 -8.978 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.462 10.871 -8.682 1.00 0.00 C ATOM 1490 CD ARG A 90 -4.981 12.136 -9.397 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.178 11.998 -10.857 1.00 0.00 N ATOM 1492 CZ ARG A 90 -4.472 11.167 -11.635 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -3.518 10.393 -11.098 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.719 11.108 -12.951 1.00 0.00 N ATOM 0 H ARG A 90 -9.118 9.495 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.225 9.768 -10.822 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.450 11.543 -9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.415 10.163 -8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.317 10.979 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.862 10.018 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.529 13.003 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.927 12.309 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.896 12.572 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.330 10.437 -10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.981 9.760 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.445 11.696 -13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.181 10.475 -13.543 1.00 0.00 H new ATOM 1508 N MET A 91 -6.031 7.634 -9.426 1.00 0.00 N ATOM 1509 CA MET A 91 -5.971 6.264 -8.943 1.00 0.00 C ATOM 1510 C MET A 91 -4.829 6.086 -7.940 1.00 0.00 C ATOM 1511 O MET A 91 -3.804 6.759 -8.035 1.00 0.00 O ATOM 1512 CB MET A 91 -5.766 5.315 -10.125 1.00 0.00 C ATOM 1513 CG MET A 91 -5.129 4.001 -9.669 1.00 0.00 C ATOM 1514 SD MET A 91 -4.953 2.893 -11.057 1.00 0.00 S ATOM 1515 CE MET A 91 -5.355 1.342 -10.269 1.00 0.00 C ATOM 0 H MET A 91 -5.123 8.082 -9.552 1.00 0.00 H new ATOM 0 HA MET A 91 -6.910 6.034 -8.440 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.724 5.112 -10.603 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.131 5.791 -10.872 1.00 0.00 H new ATOM 0 HG2 MET A 91 -4.154 4.196 -9.223 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.745 3.537 -8.899 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.310 0.538 -11.004 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.640 1.144 -9.470 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.360 1.396 -9.851 1.00 0.00 H new ATOM 1525 N LEU A 92 -5.045 5.175 -7.003 1.00 0.00 N ATOM 1526 CA LEU A 92 -4.047 4.899 -5.983 1.00 0.00 C ATOM 1527 C LEU A 92 -3.160 3.741 -6.445 1.00 0.00 C ATOM 1528 O LEU A 92 -3.616 2.852 -7.162 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.717 4.659 -4.629 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.875 5.888 -3.732 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.951 5.657 -2.669 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.535 6.291 -3.112 1.00 0.00 C ATOM 0 H LEU A 92 -5.896 4.618 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.397 5.762 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.705 4.233 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.139 3.910 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.207 6.721 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.043 6.546 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.905 5.455 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.672 4.805 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.676 7.167 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.150 5.467 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.824 6.526 -3.904 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.907 3.790 -6.014 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.952 2.756 -6.374 1.00 0.00 C ATOM 1546 C GLU A 93 -0.172 2.301 -5.139 1.00 0.00 C ATOM 1547 O GLU A 93 0.790 2.952 -4.733 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.005 3.243 -7.472 1.00 0.00 C ATOM 1549 CG GLU A 93 1.133 2.245 -7.697 1.00 0.00 C ATOM 1550 CD GLU A 93 1.681 2.350 -9.122 1.00 0.00 C ATOM 1551 OE1 GLU A 93 0.847 2.501 -10.041 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.921 2.277 -9.260 1.00 0.00 O ATOM 0 H GLU A 93 -1.532 4.529 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.502 1.901 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.560 3.383 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.407 4.214 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.933 2.433 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.774 1.232 -7.515 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.615 1.187 -4.575 1.00 0.00 N ATOM 1560 CA ILE A 94 0.029 0.637 -3.395 1.00 0.00 C ATOM 1561 C ILE A 94 0.920 -0.537 -3.805 1.00 0.00 C ATOM 1562 O ILE A 94 0.596 -1.270 -4.738 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.013 0.277 -2.334 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.046 1.395 -2.178 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.343 -0.074 -1.004 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.077 1.350 -3.307 1.00 0.00 C ATOM 0 H ILE A 94 -1.413 0.650 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 94 0.676 1.382 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.548 -0.611 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.550 1.298 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.543 2.362 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.106 -0.326 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.321 -0.927 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.234 0.780 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.799 2.155 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.572 1.472 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.595 0.391 -3.289 1.00 0.00 H new ATOM 1578 N THR A 95 2.026 -0.678 -3.088 1.00 0.00 N ATOM 1579 CA THR A 95 2.966 -1.751 -3.366 1.00 0.00 C ATOM 1580 C THR A 95 3.588 -2.265 -2.067 1.00 0.00 C ATOM 1581 O THR A 95 3.694 -1.525 -1.090 1.00 0.00 O ATOM 1582 CB THR A 95 3.997 -1.227 -4.368 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.109 0.159 -4.059 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.478 -1.247 -5.807 1.00 0.00 C ATOM 0 H THR A 95 2.292 -0.067 -2.316 1.00 0.00 H new ATOM 0 HA THR A 95 2.465 -2.611 -3.812 1.00 0.00 H new ATOM 0 HB THR A 95 4.905 -1.827 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.760 0.577 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.248 -0.865 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.226 -2.269 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.589 -0.621 -5.882 1.00 0.00 H new ATOM 1592 N LEU A 96 3.983 -3.529 -2.097 1.00 0.00 N ATOM 1593 CA LEU A 96 4.591 -4.151 -0.933 1.00 0.00 C ATOM 1594 C LEU A 96 6.034 -4.539 -1.263 1.00 0.00 C ATOM 1595 O LEU A 96 6.293 -5.164 -2.291 1.00 0.00 O ATOM 1596 CB LEU A 96 3.737 -5.322 -0.443 1.00 0.00 C ATOM 1597 CG LEU A 96 4.152 -5.942 0.893 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.133 -4.899 2.011 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.283 -7.157 1.227 1.00 0.00 C ATOM 0 H LEU A 96 3.894 -4.140 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 96 4.631 -3.446 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.705 -4.983 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.755 -6.102 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 96 5.179 -6.296 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.432 -5.366 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.827 -4.094 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.127 -4.493 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.599 -7.579 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.239 -6.851 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.392 -7.908 0.445 1.00 0.00 H new ATOM 1611 N TRP A 97 6.936 -4.152 -0.373 1.00 0.00 N ATOM 1612 CA TRP A 97 8.346 -4.451 -0.557 1.00 0.00 C ATOM 1613 C TRP A 97 8.894 -4.981 0.769 1.00 0.00 C ATOM 1614 O TRP A 97 8.222 -4.906 1.797 1.00 0.00 O ATOM 1615 CB TRP A 97 9.104 -3.225 -1.071 1.00 0.00 C ATOM 1616 CG TRP A 97 8.265 -2.299 -1.954 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.148 -1.636 -1.626 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.523 -1.959 -3.332 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.669 -0.896 -2.688 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.532 -1.099 -3.759 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.560 -2.365 -4.190 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.480 -0.571 -5.054 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.494 -1.829 -5.482 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.503 -0.962 -5.927 1.00 0.00 C ATOM 0 H TRP A 97 6.718 -3.634 0.478 1.00 0.00 H new ATOM 0 HA TRP A 97 8.481 -5.217 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.477 -2.657 -0.218 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.974 -3.559 -1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.681 -1.676 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.835 -0.308 -2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.345 -3.037 -3.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.694 0.102 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 10.267 -2.109 -6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.522 -0.592 -6.941 1.00 0.00 H new ATOM 1635 N ASP A 98 10.109 -5.504 0.704 1.00 0.00 N ATOM 1636 CA ASP A 98 10.755 -6.047 1.887 1.00 0.00 C ATOM 1637 C ASP A 98 12.103 -5.353 2.090 1.00 0.00 C ATOM 1638 O ASP A 98 13.077 -5.669 1.407 1.00 0.00 O ATOM 1639 CB ASP A 98 11.013 -7.547 1.735 1.00 0.00 C ATOM 1640 CG ASP A 98 12.141 -8.100 2.608 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.270 -7.608 3.749 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.850 -9.004 2.113 1.00 0.00 O ATOM 0 H ASP A 98 10.664 -5.563 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 98 10.095 -5.880 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.094 -8.084 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.246 -7.757 0.691 1.00 0.00 H new ATOM 1647 N GLN A 99 12.118 -4.420 3.031 1.00 0.00 N ATOM 1648 CA GLN A 99 13.331 -3.679 3.331 1.00 0.00 C ATOM 1649 C GLN A 99 14.503 -4.641 3.537 1.00 0.00 C ATOM 1650 O GLN A 99 14.588 -5.310 4.566 1.00 0.00 O ATOM 1651 CB GLN A 99 13.136 -2.782 4.555 1.00 0.00 C ATOM 1652 CG GLN A 99 13.812 -1.425 4.354 1.00 0.00 C ATOM 1653 CD GLN A 99 15.132 -1.350 5.124 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.121 -1.973 4.774 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.092 -0.556 6.190 1.00 0.00 N ATOM 0 H GLN A 99 11.309 -4.160 3.596 1.00 0.00 H new ATOM 0 HA GLN A 99 13.560 -3.035 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.071 -2.638 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.549 -3.271 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.996 -1.260 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.146 -0.630 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.231 -0.063 6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.922 -0.440 6.771 1.00 0.00 H new ATOM 1809 N PHE A 109 11.105 -5.748 -4.292 1.00 0.00 N ATOM 1810 CA PHE A 109 9.682 -5.679 -4.577 1.00 0.00 C ATOM 1811 C PHE A 109 9.023 -7.050 -4.411 1.00 0.00 C ATOM 1812 O PHE A 109 9.454 -8.028 -5.020 1.00 0.00 O ATOM 1813 CB PHE A 109 9.539 -5.230 -6.033 1.00 0.00 C ATOM 1814 CG PHE A 109 8.118 -5.357 -6.586 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.663 -6.561 -7.024 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.310 -4.264 -6.640 1.00 0.00 C ATOM 1817 CE1 PHE A 109 6.345 -6.679 -7.538 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.991 -4.382 -7.154 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.536 -5.586 -7.592 1.00 0.00 C ATOM 0 HA PHE A 109 9.197 -4.987 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.859 -4.191 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 109 10.213 -5.821 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.305 -7.428 -6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.671 -3.307 -6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.984 -7.636 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.349 -3.515 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.533 -5.675 -7.983 1.00 0.00 H new ATOM 1829 N LEU A 110 7.988 -7.077 -3.585 1.00 0.00 N ATOM 1830 CA LEU A 110 7.264 -8.311 -3.331 1.00 0.00 C ATOM 1831 C LEU A 110 6.065 -8.398 -4.277 1.00 0.00 C ATOM 1832 O LEU A 110 5.938 -9.357 -5.037 1.00 0.00 O ATOM 1833 CB LEU A 110 6.890 -8.419 -1.852 1.00 0.00 C ATOM 1834 CG LEU A 110 8.055 -8.593 -0.875 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.561 -8.596 0.573 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.865 -9.848 -1.207 1.00 0.00 C ATOM 0 H LEU A 110 7.633 -6.263 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 110 7.897 -9.173 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.338 -7.522 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.211 -9.263 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 110 8.724 -7.739 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.409 -8.721 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.062 -7.651 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.859 -9.418 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.687 -9.949 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.221 -10.725 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.265 -9.766 -2.217 1.00 0.00 H new ATOM 1848 N GLY A 111 5.216 -7.384 -4.200 1.00 0.00 N ATOM 1849 CA GLY A 111 4.032 -7.334 -5.040 1.00 0.00 C ATOM 1850 C GLY A 111 3.502 -5.903 -5.155 1.00 0.00 C ATOM 1851 O GLY A 111 4.032 -4.988 -4.528 1.00 0.00 O ATOM 0 H GLY A 111 5.325 -6.590 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.269 -7.719 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.259 -7.980 -4.624 1.00 0.00 H new ATOM 1855 N GLU A 112 2.462 -5.755 -5.963 1.00 0.00 N ATOM 1856 CA GLU A 112 1.854 -4.451 -6.168 1.00 0.00 C ATOM 1857 C GLU A 112 0.329 -4.563 -6.118 1.00 0.00 C ATOM 1858 O GLU A 112 -0.239 -5.560 -6.560 1.00 0.00 O ATOM 1859 CB GLU A 112 2.315 -3.834 -7.490 1.00 0.00 C ATOM 1860 CG GLU A 112 1.760 -4.614 -8.683 1.00 0.00 C ATOM 1861 CD GLU A 112 2.864 -4.928 -9.695 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.670 -4.009 -9.959 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.877 -6.079 -10.181 1.00 0.00 O ATOM 0 H GLU A 112 2.025 -6.516 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 112 2.177 -3.790 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.986 -2.796 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.404 -3.826 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.306 -5.542 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.973 -4.035 -9.166 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.291 -3.525 -5.576 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.739 -3.493 -5.462 1.00 0.00 C ATOM 1872 C ILE A 113 -2.262 -2.172 -6.028 1.00 0.00 C ATOM 1873 O ILE A 113 -2.025 -1.110 -5.455 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.169 -3.757 -4.018 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.583 -5.073 -3.503 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.693 -3.716 -3.883 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.185 -5.448 -2.147 1.00 0.00 C ATOM 0 H ILE A 113 0.184 -2.699 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.185 -4.292 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.769 -2.960 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.777 -5.868 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.501 -4.982 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -3.972 -3.907 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.058 -2.734 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.136 -4.478 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.751 -6.387 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.969 -4.662 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.264 -5.562 -2.247 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.965 -2.280 -7.147 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.524 -1.107 -7.796 1.00 0.00 C ATOM 1891 C LEU A 114 -5.023 -1.032 -7.501 1.00 0.00 C ATOM 1892 O LEU A 114 -5.739 -2.021 -7.649 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.190 -1.112 -9.290 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.845 -0.494 -9.678 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.037 0.888 -10.306 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.894 -0.453 -8.480 1.00 0.00 C ATOM 0 H LEU A 114 -3.160 -3.162 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.074 -0.199 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.209 -2.143 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.979 -0.579 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.383 -1.129 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.066 1.305 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.651 0.798 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.531 1.547 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.054 -0.009 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.337 0.146 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.721 -1.466 -8.118 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.454 0.152 -7.090 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.855 0.369 -6.773 1.00 0.00 C ATOM 1910 C ILE A 115 -7.305 1.708 -7.361 1.00 0.00 C ATOM 1911 O ILE A 115 -6.701 2.744 -7.089 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.088 0.251 -5.265 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.894 -1.191 -4.792 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.462 0.801 -4.878 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -5.984 -1.247 -3.563 1.00 0.00 C ATOM 0 H ILE A 115 -4.857 0.971 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.473 -0.404 -7.229 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.342 0.861 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.862 -1.632 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.462 -1.786 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.602 0.705 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.526 1.852 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.238 0.238 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.863 -2.283 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.010 -0.827 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.431 -0.671 -2.753 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.362 1.643 -8.157 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.900 2.837 -8.787 1.00 0.00 C ATOM 1929 C GLU A 116 -9.927 3.503 -7.870 1.00 0.00 C ATOM 1930 O GLU A 116 -10.906 2.875 -7.468 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.512 2.510 -10.150 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.429 2.126 -11.160 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.886 2.417 -12.591 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.758 1.662 -13.073 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.352 3.388 -13.171 1.00 0.00 O ATOM 0 H GLU A 116 -8.861 0.782 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.081 3.537 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.224 1.691 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.069 3.371 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.515 2.680 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.191 1.067 -11.059 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.669 4.767 -7.565 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.560 5.525 -6.703 1.00 0.00 C ATOM 1944 C LEU A 117 -11.986 5.440 -7.249 1.00 0.00 C ATOM 1945 O LEU A 117 -12.950 5.475 -6.485 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.050 6.958 -6.535 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.588 7.105 -6.108 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.290 8.535 -5.654 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.224 6.076 -5.036 1.00 0.00 C ATOM 0 H LEU A 117 -8.856 5.285 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.577 5.097 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.186 7.484 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.675 7.461 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.958 6.905 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.244 8.612 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.485 9.225 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.928 8.788 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.180 6.202 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.859 6.221 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.373 5.071 -5.431 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.076 5.329 -8.566 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.369 5.239 -9.223 1.00 0.00 C ATOM 1963 C GLU A 118 -14.119 3.992 -8.749 1.00 0.00 C ATOM 1964 O GLU A 118 -15.278 4.075 -8.348 1.00 0.00 O ATOM 1965 CB GLU A 118 -13.212 5.239 -10.745 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.508 5.678 -11.429 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.381 5.590 -12.952 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -13.291 5.941 -13.451 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -15.377 5.173 -13.581 1.00 0.00 O ATOM 0 H GLU A 118 -11.274 5.299 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.955 6.117 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.401 5.909 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.936 4.241 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.332 5.049 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.748 6.701 -11.139 1.00 0.00 H new ATOM 1976 N THR A 119 -13.426 2.864 -8.812 1.00 0.00 N ATOM 1977 CA THR A 119 -14.012 1.602 -8.395 1.00 0.00 C ATOM 1978 C THR A 119 -13.493 1.204 -7.012 1.00 0.00 C ATOM 1979 O THR A 119 -13.523 0.030 -6.647 1.00 0.00 O ATOM 1980 CB THR A 119 -13.714 0.562 -9.477 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.291 0.478 -9.496 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.076 1.055 -10.879 1.00 0.00 C ATOM 0 H THR A 119 -12.464 2.798 -9.146 1.00 0.00 H new ATOM 0 HA THR A 119 -15.094 1.684 -8.291 1.00 0.00 H new ATOM 0 HB THR A 119 -14.264 -0.354 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.011 -0.176 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.845 0.279 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.140 1.286 -10.920 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.501 1.952 -11.109 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.029 2.206 -6.279 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.504 1.976 -4.944 1.00 0.00 C ATOM 1992 C ALA A 120 -13.665 1.707 -3.984 1.00 0.00 C ATOM 1993 O ALA A 120 -14.355 2.635 -3.563 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.658 3.176 -4.514 1.00 0.00 C ATOM 0 H ALA A 120 -13.006 3.179 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.856 1.100 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.264 3.003 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.831 3.307 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.276 4.074 -4.511 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.844 0.434 -3.665 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.910 0.032 -2.762 1.00 0.00 C ATOM 2002 C LEU A 121 -14.646 0.621 -1.375 1.00 0.00 C ATOM 2003 O LEU A 121 -14.025 -0.023 -0.531 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.067 -1.490 -2.765 1.00 0.00 C ATOM 2005 CG LEU A 121 -13.775 -2.298 -2.902 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -12.687 -1.754 -1.974 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.033 -3.788 -2.670 1.00 0.00 C ATOM 0 H LEU A 121 -13.269 -0.333 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.867 0.429 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.561 -1.786 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -15.732 -1.765 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.411 -2.189 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.779 -2.346 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.478 -0.715 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.028 -1.813 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.098 -4.339 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -14.433 -3.936 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.752 -4.151 -3.404 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.132 1.838 -1.182 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.957 2.521 0.088 1.00 0.00 C ATOM 2021 C LEU A 122 -16.146 2.207 0.999 1.00 0.00 C ATOM 2022 O LEU A 122 -17.291 2.496 0.654 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.732 4.018 -0.135 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.637 4.390 -1.136 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -14.116 5.486 -2.091 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.345 4.781 -0.416 1.00 0.00 C ATOM 0 H LEU A 122 -15.647 2.369 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.062 2.160 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.670 4.460 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.490 4.476 0.824 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.415 3.511 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.318 5.732 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.988 5.133 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.384 6.375 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.583 5.041 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.534 5.639 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.996 3.943 0.187 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.833 1.618 2.144 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.861 1.262 3.107 1.00 0.00 C ATOM 2040 C ASP A 123 -16.230 1.126 4.494 1.00 0.00 C ATOM 2041 O ASP A 123 -16.735 0.392 5.341 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.510 -0.077 2.750 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.020 -0.147 2.983 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.715 0.762 2.480 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.446 -1.108 3.660 1.00 0.00 O ATOM 0 H ASP A 123 -14.883 1.379 2.426 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.619 2.045 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.309 -0.292 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.031 -0.863 3.334 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.133 1.846 4.683 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.428 1.815 5.953 1.00 0.00 C ATOM 2052 C ASP A 124 -14.382 0.376 6.471 1.00 0.00 C ATOM 2053 O ASP A 124 -14.536 0.139 7.668 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.140 2.672 7.000 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.360 2.890 8.298 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.179 2.481 8.325 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.961 3.461 9.233 1.00 0.00 O ATOM 0 H ASP A 124 -14.716 2.454 3.978 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.424 2.206 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.363 3.644 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -16.095 2.205 7.242 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.169 -0.546 5.544 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.101 -1.955 5.893 1.00 0.00 C ATOM 2064 C GLU A 125 -12.792 -2.565 5.385 1.00 0.00 C ATOM 2065 O GLU A 125 -12.256 -2.133 4.366 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.309 -2.715 5.343 1.00 0.00 C ATOM 2067 CG GLU A 125 -14.999 -3.319 3.971 1.00 0.00 C ATOM 2068 CD GLU A 125 -16.244 -3.326 3.081 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.148 -4.136 3.376 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -16.262 -2.520 2.126 1.00 0.00 O ATOM 0 H GLU A 125 -14.041 -0.345 4.552 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.123 -2.042 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.592 -3.506 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.162 -2.041 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -14.206 -2.747 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -14.629 -4.337 4.093 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.303 -3.586 6.139 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.068 -4.259 5.777 1.00 0.00 C ATOM 2079 C PRO A 126 -11.283 -5.196 4.586 1.00 0.00 C ATOM 2080 O PRO A 126 -12.143 -6.075 4.631 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.634 -4.990 7.037 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.872 -5.080 7.914 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.911 -4.124 7.353 1.00 0.00 C ATOM 0 HA PRO A 126 -10.293 -3.567 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.250 -5.982 6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.834 -4.452 7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.258 -6.099 7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.630 -4.819 8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.846 -4.640 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.144 -3.331 8.064 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.488 -4.976 3.550 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.580 -5.790 2.349 1.00 0.00 C ATOM 2093 C HIS A 127 -9.204 -6.368 2.014 1.00 0.00 C ATOM 2094 O HIS A 127 -8.211 -5.642 1.987 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.184 -4.988 1.195 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.651 -5.258 0.960 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.611 -4.262 0.994 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.311 -6.420 0.688 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.792 -4.811 0.752 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.604 -6.149 0.564 1.00 0.00 N ATOM 0 H HIS A 127 -9.777 -4.246 3.517 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.254 -6.628 2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.048 -3.925 1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.633 -5.214 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -12.858 -7.396 0.590 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.738 -4.291 0.711 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.337 -6.829 0.361 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.189 -7.670 1.766 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.951 -8.354 1.433 1.00 0.00 C ATOM 2110 C TRP A 128 -7.756 -8.267 -0.082 1.00 0.00 C ATOM 2111 O TRP A 128 -8.567 -8.786 -0.847 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.963 -9.793 1.953 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.855 -9.905 3.475 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.824 -10.207 4.351 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.668 -9.705 4.270 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.349 -10.215 5.647 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.996 -9.900 5.596 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.359 -9.369 3.881 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.072 -9.783 6.640 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.446 -9.255 4.937 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.761 -9.449 6.277 1.00 0.00 C ATOM 0 H TRP A 128 -10.014 -8.269 1.789 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.102 -7.875 1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.883 -10.279 1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.136 -10.340 1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.847 -10.417 4.077 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.891 -10.415 6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.080 -9.211 2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.354 -9.942 7.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.426 -8.998 4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.999 -9.343 7.035 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.675 -7.607 -0.470 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.362 -7.445 -1.880 1.00 0.00 C ATOM 2134 C TYR A 129 -5.175 -8.322 -2.282 1.00 0.00 C ATOM 2135 O TYR A 129 -4.059 -8.119 -1.807 1.00 0.00 O ATOM 2136 CB TYR A 129 -5.979 -5.975 -2.061 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.098 -4.993 -1.707 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.248 -4.954 -2.468 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -6.956 -4.146 -0.627 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.301 -4.029 -2.135 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.008 -3.221 -0.293 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.129 -3.209 -1.064 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.123 -2.335 -0.749 1.00 0.00 O ATOM 0 H TYR A 129 -6.004 -7.178 0.168 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.212 -7.734 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.109 -5.758 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.681 -5.813 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.359 -5.617 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.055 -4.177 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.206 -3.988 -2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.909 -2.553 0.550 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.863 -1.814 0.039 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.456 -9.279 -3.154 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.425 -10.188 -3.626 1.00 0.00 C ATOM 2155 C LYS A 130 -3.298 -9.382 -4.275 1.00 0.00 C ATOM 2156 O LYS A 130 -3.553 -8.386 -4.950 1.00 0.00 O ATOM 2157 CB LYS A 130 -5.028 -11.252 -4.545 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.172 -12.589 -3.816 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.841 -13.634 -4.712 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.934 -14.388 -3.953 1.00 0.00 C ATOM 2161 NZ LYS A 130 -8.002 -14.824 -4.880 1.00 0.00 N ATOM 0 H LYS A 130 -6.383 -9.445 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.987 -10.733 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.004 -10.920 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.396 -11.379 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.190 -12.946 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.761 -12.451 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.271 -13.146 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.093 -14.339 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.504 -15.255 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.356 -13.747 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.736 -15.334 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.423 -13.992 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.598 -15.453 -5.604 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.077 -9.843 -4.048 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.911 -9.177 -4.602 1.00 0.00 C ATOM 2177 C LEU A 131 -0.546 -9.825 -5.939 1.00 0.00 C ATOM 2178 O LEU A 131 -0.732 -11.027 -6.121 1.00 0.00 O ATOM 2179 CB LEU A 131 0.235 -9.171 -3.588 1.00 0.00 C ATOM 2180 CG LEU A 131 0.064 -8.237 -2.389 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.169 -9.010 -1.073 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.059 -7.076 -2.452 1.00 0.00 C ATOM 0 H LEU A 131 -1.870 -10.670 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.132 -8.129 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.370 -10.187 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.153 -8.898 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.937 -7.807 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.044 -8.323 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.609 -9.772 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.147 -9.486 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.916 -6.427 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.076 -7.468 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.894 -6.505 -3.366 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.032 -9.000 -6.840 1.00 0.00 N ATOM 2195 CA GLN A 132 0.360 -9.479 -8.155 1.00 0.00 C ATOM 2196 C GLN A 132 1.850 -9.219 -8.391 1.00 0.00 C ATOM 2197 O GLN A 132 2.300 -8.076 -8.340 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.489 -8.831 -9.250 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.186 -7.336 -9.367 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.199 -6.641 -10.280 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -1.418 -7.030 -11.415 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.801 -5.595 -9.722 1.00 0.00 N ATOM 0 H GLN A 132 0.122 -8.004 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 132 0.187 -10.554 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.294 -9.321 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.546 -8.975 -9.028 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.208 -6.878 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.821 -7.195 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -1.570 -5.324 -8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.494 -5.064 -10.250 1.00 0.00 H new