USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 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 101 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot -179:sc= 0.825 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -3.66! C(o=-2.8!,f=-4.9!) USER MOD Single : A 9 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.736) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -20:sc= -8.79! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.0655 USER MOD Single : A 25 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc=-0.000395 USER MOD Single : A 34 SER OG : rot 78:sc= -0.105 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 42:sc= -2.88! USER MOD Single : A 47 ASN : amide:sc= 0.778 K(o=0.78,f=-0.42) USER MOD Single : A 57 GLN : amide:sc= -0.306 K(o=-0.31,f=-3.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.08) USER MOD Single : A 65 GLN : amide:sc= -0.0886 K(o=-0.089,f=-0.78) USER MOD Single : A 66 ASN : amide:sc= -2.73! C(o=-2.7!,f=-3.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 71:sc= 1.03 USER MOD Single : A 76 THR OG1 : rot 116:sc= 1.17 USER MOD Single : A 77 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-9.1!) USER MOD Single : A 80 CYS SG : rot 78:sc= -0.0689 USER MOD Single : A 82 GLN : amide:sc= 0.00408 K(o=0.0041,f=-6!) USER MOD Single : A 86 THR OG1 : rot 158:sc= 0.118 USER MOD Single : A 89 MET CE :methyl 153:sc= -6.28! (180deg=-6.58!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -35:sc= -1.73 USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.548 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 84:sc= 0.437 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 114 LYS NZ :NH3+ -102:sc= -0.581 (180deg=-2.44!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.584 -8.946 1.400 1.00 0.00 N ATOM 67 CA ILE A 8 -11.839 -7.799 0.897 1.00 0.00 C ATOM 68 C ILE A 8 -10.336 -8.016 1.033 1.00 0.00 C ATOM 69 O ILE A 8 -9.541 -7.389 0.333 1.00 0.00 O ATOM 70 CB ILE A 8 -12.229 -6.506 1.637 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.748 -6.326 1.628 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.544 -5.305 1.001 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.317 -6.054 0.253 1.00 0.00 C ATOM 0 HA ILE A 8 -12.094 -7.695 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.897 -6.583 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.214 -7.224 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.012 -5.502 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.829 -4.399 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.463 -5.432 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.849 -5.223 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.398 -5.937 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.879 -5.140 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.084 -6.888 -0.409 1.00 0.00 H new ATOM 85 N LYS A 9 -9.953 -8.911 1.937 1.00 0.00 N ATOM 86 CA LYS A 9 -8.545 -9.215 2.165 1.00 0.00 C ATOM 87 C LYS A 9 -7.877 -9.691 0.879 1.00 0.00 C ATOM 88 O LYS A 9 -6.672 -9.520 0.695 1.00 0.00 O ATOM 89 CB LYS A 9 -8.402 -10.282 3.252 1.00 0.00 C ATOM 90 CG LYS A 9 -6.970 -10.489 3.716 1.00 0.00 C ATOM 91 CD LYS A 9 -6.842 -11.722 4.596 1.00 0.00 C ATOM 92 CE LYS A 9 -7.175 -11.408 6.046 1.00 0.00 C ATOM 93 NZ LYS A 9 -8.630 -11.557 6.326 1.00 0.00 N ATOM 0 H LYS A 9 -10.598 -9.439 2.524 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.050 -8.301 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.016 -10.001 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.793 -11.227 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.317 -10.590 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.635 -9.611 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.508 -12.503 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.827 -12.113 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.610 -12.071 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.863 -10.390 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.987 -10.692 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.141 -11.716 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.780 -12.367 6.960 1.00 0.00 H new ATOM 107 N GLN A 10 -8.667 -10.288 -0.007 1.00 0.00 N ATOM 108 CA GLN A 10 -8.150 -10.788 -1.276 1.00 0.00 C ATOM 109 C GLN A 10 -8.134 -9.685 -2.329 1.00 0.00 C ATOM 110 O GLN A 10 -7.070 -9.249 -2.768 1.00 0.00 O ATOM 111 CB GLN A 10 -8.995 -11.965 -1.766 1.00 0.00 C ATOM 112 CG GLN A 10 -8.360 -12.732 -2.915 1.00 0.00 C ATOM 113 CD GLN A 10 -7.311 -13.721 -2.448 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.608 -14.651 -1.697 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.074 -13.526 -2.890 1.00 0.00 N ATOM 0 H GLN A 10 -9.667 -10.437 0.130 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.126 -11.127 -1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.168 -12.649 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.970 -11.595 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.137 -13.264 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.905 -12.026 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.872 -12.743 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.326 -14.160 -2.608 1.00 0.00 H new ATOM 124 N MET A 11 -9.320 -9.239 -2.731 1.00 0.00 N ATOM 125 CA MET A 11 -9.441 -8.186 -3.732 1.00 0.00 C ATOM 126 C MET A 11 -8.311 -7.171 -3.593 1.00 0.00 C ATOM 127 O MET A 11 -7.792 -6.665 -4.589 1.00 0.00 O ATOM 128 CB MET A 11 -10.793 -7.483 -3.603 1.00 0.00 C ATOM 129 CG MET A 11 -10.812 -6.392 -2.544 1.00 0.00 C ATOM 130 SD MET A 11 -10.204 -4.812 -3.164 1.00 0.00 S ATOM 131 CE MET A 11 -11.735 -4.039 -3.680 1.00 0.00 C ATOM 0 H MET A 11 -10.210 -9.591 -2.379 1.00 0.00 H new ATOM 0 HA MET A 11 -9.372 -8.647 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.060 -7.048 -4.566 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.557 -8.223 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.830 -6.266 -2.176 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.203 -6.704 -1.696 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.524 -3.050 -4.088 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.213 -4.652 -4.444 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.401 -3.943 -2.823 1.00 0.00 H new ATOM 141 N LEU A 12 -7.935 -6.877 -2.353 1.00 0.00 N ATOM 142 CA LEU A 12 -6.866 -5.922 -2.084 1.00 0.00 C ATOM 143 C LEU A 12 -5.547 -6.398 -2.683 1.00 0.00 C ATOM 144 O LEU A 12 -4.851 -5.640 -3.360 1.00 0.00 O ATOM 145 CB LEU A 12 -6.710 -5.713 -0.577 1.00 0.00 C ATOM 146 CG LEU A 12 -7.798 -4.881 0.102 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.669 -4.966 1.615 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.728 -3.432 -0.360 1.00 0.00 C ATOM 0 H LEU A 12 -8.355 -7.286 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.133 -4.974 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.676 -6.691 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.748 -5.234 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.769 -5.286 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.452 -4.368 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.769 -6.004 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.693 -4.587 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.510 -2.855 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.753 -3.016 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.871 -3.387 -1.440 1.00 0.00 H new ATOM 160 N LEU A 13 -5.209 -7.657 -2.431 1.00 0.00 N ATOM 161 CA LEU A 13 -3.974 -8.236 -2.948 1.00 0.00 C ATOM 162 C LEU A 13 -4.005 -8.317 -4.470 1.00 0.00 C ATOM 163 O LEU A 13 -2.987 -8.116 -5.134 1.00 0.00 O ATOM 164 CB LEU A 13 -3.754 -9.630 -2.356 1.00 0.00 C ATOM 165 CG LEU A 13 -2.312 -10.140 -2.358 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.465 -9.348 -1.374 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.271 -11.624 -2.026 1.00 0.00 C ATOM 0 H LEU A 13 -5.773 -8.297 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.148 -7.588 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.116 -9.628 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.370 -10.339 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.898 -10.000 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.442 -9.725 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.468 -8.295 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.877 -9.456 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.237 -11.970 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.703 -11.788 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.843 -12.179 -2.769 1.00 0.00 H new ATOM 179 N ASP A 14 -5.179 -8.611 -5.018 1.00 0.00 N ATOM 180 CA ASP A 14 -5.344 -8.715 -6.463 1.00 0.00 C ATOM 181 C ASP A 14 -5.441 -7.332 -7.100 1.00 0.00 C ATOM 182 O ASP A 14 -5.122 -7.156 -8.276 1.00 0.00 O ATOM 183 CB ASP A 14 -6.593 -9.533 -6.798 1.00 0.00 C ATOM 184 CG ASP A 14 -6.765 -9.742 -8.289 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.024 -10.569 -8.862 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.640 -9.080 -8.884 1.00 0.00 O ATOM 0 H ASP A 14 -6.031 -8.782 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.468 -9.221 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.533 -10.502 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.473 -9.026 -6.401 1.00 0.00 H new ATOM 191 N TRP A 15 -5.884 -6.356 -6.317 1.00 0.00 N ATOM 192 CA TRP A 15 -6.024 -4.988 -6.805 1.00 0.00 C ATOM 193 C TRP A 15 -4.677 -4.274 -6.816 1.00 0.00 C ATOM 194 O TRP A 15 -4.269 -3.714 -7.835 1.00 0.00 O ATOM 195 CB TRP A 15 -7.018 -4.214 -5.938 1.00 0.00 C ATOM 196 CG TRP A 15 -6.963 -2.732 -6.150 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.727 -1.999 -7.012 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.097 -1.803 -5.489 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.388 -0.670 -6.927 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.391 -0.523 -6.000 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.102 -1.927 -4.515 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.725 0.621 -5.568 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.442 -0.791 -4.088 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.756 0.470 -4.614 1.00 0.00 C ATOM 0 H TRP A 15 -6.153 -6.485 -5.342 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.401 -5.030 -7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.027 -4.567 -6.151 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.820 -4.431 -4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.486 -2.404 -7.665 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.811 0.085 -7.467 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.854 -2.894 -4.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.965 1.593 -5.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.671 -0.876 -3.336 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.222 1.339 -4.259 1.00 0.00 H new ATOM 215 N CYS A 16 -3.990 -4.297 -5.679 1.00 0.00 N ATOM 216 CA CYS A 16 -2.688 -3.650 -5.559 1.00 0.00 C ATOM 217 C CYS A 16 -1.786 -4.023 -6.731 1.00 0.00 C ATOM 218 O CYS A 16 -1.180 -3.155 -7.361 1.00 0.00 O ATOM 219 CB CYS A 16 -2.020 -4.043 -4.241 1.00 0.00 C ATOM 220 SG CYS A 16 -1.826 -5.826 -4.014 1.00 0.00 S ATOM 0 H CYS A 16 -4.313 -4.756 -4.827 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.843 -2.571 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.038 -3.572 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.609 -3.644 -3.415 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.652 -6.455 -4.796 1.00 0.00 H new ATOM 226 N ARG A 17 -1.700 -5.318 -7.017 1.00 0.00 N ATOM 227 CA ARG A 17 -0.869 -5.805 -8.111 1.00 0.00 C ATOM 228 C ARG A 17 -1.108 -4.991 -9.380 1.00 0.00 C ATOM 229 O ARG A 17 -0.186 -4.382 -9.921 1.00 0.00 O ATOM 230 CB ARG A 17 -1.157 -7.284 -8.379 1.00 0.00 C ATOM 231 CG ARG A 17 -0.521 -8.221 -7.366 1.00 0.00 C ATOM 232 CD ARG A 17 -0.749 -9.678 -7.735 1.00 0.00 C ATOM 233 NE ARG A 17 0.271 -10.177 -8.653 1.00 0.00 N ATOM 234 CZ ARG A 17 0.355 -11.444 -9.041 1.00 0.00 C ATOM 235 NH1 ARG A 17 -0.517 -12.337 -8.593 1.00 0.00 N ATOM 236 NH2 ARG A 17 1.312 -11.821 -9.879 1.00 0.00 N ATOM 0 H ARG A 17 -2.196 -6.049 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 17 0.175 -5.692 -7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.236 -7.441 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.797 -7.541 -9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.549 -8.023 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.936 -8.026 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.750 -10.285 -6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.732 -9.786 -8.192 1.00 0.00 H new ATOM 0 HE ARG A 17 0.957 -9.515 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.254 -12.051 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.450 -13.310 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.985 -11.137 -10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.375 -12.795 -10.176 1.00 0.00 H new ATOM 250 N ALA A 18 -2.352 -4.987 -9.848 1.00 0.00 N ATOM 251 CA ALA A 18 -2.713 -4.248 -11.051 1.00 0.00 C ATOM 252 C ALA A 18 -2.175 -2.822 -11.001 1.00 0.00 C ATOM 253 O ALA A 18 -1.646 -2.311 -11.989 1.00 0.00 O ATOM 254 CB ALA A 18 -4.223 -4.239 -11.232 1.00 0.00 C ATOM 0 H ALA A 18 -3.127 -5.487 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.259 -4.750 -11.906 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.478 -3.683 -12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.585 -5.263 -11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.690 -3.764 -10.369 1.00 0.00 H new ATOM 260 N LYS A 19 -2.314 -2.182 -9.845 1.00 0.00 N ATOM 261 CA LYS A 19 -1.842 -0.815 -9.664 1.00 0.00 C ATOM 262 C LYS A 19 -0.322 -0.775 -9.543 1.00 0.00 C ATOM 263 O LYS A 19 0.299 0.272 -9.724 1.00 0.00 O ATOM 264 CB LYS A 19 -2.480 -0.193 -8.420 1.00 0.00 C ATOM 265 CG LYS A 19 -3.998 -0.158 -8.468 1.00 0.00 C ATOM 266 CD LYS A 19 -4.501 0.906 -9.429 1.00 0.00 C ATOM 267 CE LYS A 19 -5.896 0.580 -9.941 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.499 1.726 -10.676 1.00 0.00 N ATOM 0 H LYS A 19 -2.751 -2.589 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.134 -0.238 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.165 -0.755 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.105 0.823 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.376 -1.134 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.390 0.037 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.513 1.874 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.814 0.992 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.848 -0.288 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.537 0.309 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.449 1.464 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.569 2.547 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.901 1.968 -11.492 1.00 0.00 H new ATOM 282 N THR A 20 0.273 -1.924 -9.235 1.00 0.00 N ATOM 283 CA THR A 20 1.719 -2.021 -9.090 1.00 0.00 C ATOM 284 C THR A 20 2.300 -3.058 -10.044 1.00 0.00 C ATOM 285 O THR A 20 3.325 -3.675 -9.755 1.00 0.00 O ATOM 286 CB THR A 20 2.116 -2.388 -7.647 1.00 0.00 C ATOM 287 OG1 THR A 20 1.434 -1.536 -6.720 1.00 0.00 O ATOM 288 CG2 THR A 20 3.619 -2.261 -7.450 1.00 0.00 C ATOM 0 H THR A 20 -0.226 -2.800 -9.081 1.00 0.00 H new ATOM 0 HA THR A 20 2.127 -1.040 -9.333 1.00 0.00 H new ATOM 0 HB THR A 20 1.829 -3.424 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.486 -1.783 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.875 -2.525 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.134 -2.933 -8.137 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.926 -1.234 -7.648 1.00 0.00 H new ATOM 296 N ARG A 21 1.639 -3.244 -11.182 1.00 0.00 N ATOM 297 CA ARG A 21 2.090 -4.208 -12.178 1.00 0.00 C ATOM 298 C ARG A 21 3.033 -3.551 -13.182 1.00 0.00 C ATOM 299 O ARG A 21 2.674 -2.576 -13.840 1.00 0.00 O ATOM 300 CB ARG A 21 0.891 -4.815 -12.911 1.00 0.00 C ATOM 301 CG ARG A 21 0.235 -3.863 -13.897 1.00 0.00 C ATOM 302 CD ARG A 21 -1.031 -4.462 -14.490 1.00 0.00 C ATOM 303 NE ARG A 21 -0.752 -5.271 -15.674 1.00 0.00 N ATOM 304 CZ ARG A 21 -1.579 -6.199 -16.142 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.733 -6.432 -15.531 1.00 0.00 N ATOM 306 NH2 ARG A 21 -1.254 -6.894 -17.224 1.00 0.00 N ATOM 0 H ARG A 21 0.790 -2.740 -11.437 1.00 0.00 H new ATOM 0 HA ARG A 21 2.631 -5.001 -11.661 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.216 -5.709 -13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.150 -5.132 -12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.005 -2.926 -13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.936 -3.626 -14.697 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.527 -5.077 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.722 -3.661 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 21 0.126 -5.115 -16.169 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.987 -5.898 -14.700 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.366 -7.145 -15.892 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.368 -6.716 -17.697 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.890 -7.606 -17.583 1.00 0.00 H new ATOM 320 N GLY A 22 4.242 -4.094 -13.292 1.00 0.00 N ATOM 321 CA GLY A 22 5.219 -3.547 -14.216 1.00 0.00 C ATOM 322 C GLY A 22 6.484 -3.089 -13.519 1.00 0.00 C ATOM 323 O GLY A 22 7.589 -3.314 -14.012 1.00 0.00 O ATOM 0 H GLY A 22 4.562 -4.902 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.471 -4.301 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.778 -2.706 -14.751 1.00 0.00 H new ATOM 327 N TYR A 23 6.323 -2.443 -12.369 1.00 0.00 N ATOM 328 CA TYR A 23 7.462 -1.949 -11.605 1.00 0.00 C ATOM 329 C TYR A 23 8.487 -3.056 -11.376 1.00 0.00 C ATOM 330 O TYR A 23 8.166 -4.109 -10.827 1.00 0.00 O ATOM 331 CB TYR A 23 6.996 -1.385 -10.262 1.00 0.00 C ATOM 332 CG TYR A 23 6.165 -0.128 -10.389 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.789 -0.197 -10.571 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.755 1.128 -10.328 1.00 0.00 C ATOM 335 CE1 TYR A 23 4.025 0.948 -10.688 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.999 2.279 -10.442 1.00 0.00 C ATOM 337 CZ TYR A 23 4.635 2.184 -10.623 1.00 0.00 C ATOM 338 OH TYR A 23 3.879 3.328 -10.739 1.00 0.00 O ATOM 0 H TYR A 23 5.415 -2.250 -11.946 1.00 0.00 H new ATOM 0 HA TYR A 23 7.936 -1.154 -12.181 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.413 -2.145 -9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.868 -1.173 -9.644 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.308 -1.163 -10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.823 1.206 -10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.957 0.876 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.474 3.248 -10.390 1.00 0.00 H new ATOM 0 HH TYR A 23 4.463 4.113 -10.687 1.00 0.00 H new ATOM 348 N GLU A 24 9.722 -2.807 -11.800 1.00 0.00 N ATOM 349 CA GLU A 24 10.794 -3.782 -11.642 1.00 0.00 C ATOM 350 C GLU A 24 11.220 -3.891 -10.181 1.00 0.00 C ATOM 351 O GLU A 24 11.152 -2.917 -9.429 1.00 0.00 O ATOM 352 CB GLU A 24 11.996 -3.397 -12.507 1.00 0.00 C ATOM 353 CG GLU A 24 13.020 -4.510 -12.657 1.00 0.00 C ATOM 354 CD GLU A 24 12.664 -5.486 -13.761 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.484 -5.887 -13.839 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.564 -5.850 -14.546 1.00 0.00 O ATOM 0 H GLU A 24 10.005 -1.939 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 24 10.418 -4.752 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.642 -3.104 -13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.482 -2.524 -12.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.997 -4.074 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.105 -5.050 -11.714 1.00 0.00 H new ATOM 363 N HIS A 25 11.658 -5.081 -9.785 1.00 0.00 N ATOM 364 CA HIS A 25 12.095 -5.318 -8.413 1.00 0.00 C ATOM 365 C HIS A 25 10.926 -5.190 -7.441 1.00 0.00 C ATOM 366 O HIS A 25 11.068 -4.633 -6.353 1.00 0.00 O ATOM 367 CB HIS A 25 13.201 -4.334 -8.031 1.00 0.00 C ATOM 368 CG HIS A 25 14.321 -4.277 -9.023 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.954 -5.402 -9.509 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.921 -3.222 -9.622 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.895 -5.041 -10.363 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.895 -3.723 -10.450 1.00 0.00 N ATOM 0 H HIS A 25 11.720 -5.897 -10.394 1.00 0.00 H new ATOM 0 HA HIS A 25 12.486 -6.334 -8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.770 -3.339 -7.925 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.603 -4.613 -7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.679 -2.180 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.552 -5.710 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.517 -3.168 -11.037 1.00 0.00 H new ATOM 381 N VAL A 26 9.770 -5.710 -7.842 1.00 0.00 N ATOM 382 CA VAL A 26 8.576 -5.654 -7.006 1.00 0.00 C ATOM 383 C VAL A 26 7.665 -6.848 -7.269 1.00 0.00 C ATOM 384 O VAL A 26 7.633 -7.386 -8.376 1.00 0.00 O ATOM 385 CB VAL A 26 7.784 -4.355 -7.245 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.525 -4.333 -6.391 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.654 -3.141 -6.958 1.00 0.00 C ATOM 0 H VAL A 26 9.635 -6.175 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 26 8.913 -5.679 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 26 7.485 -4.319 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.978 -3.408 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.895 -5.184 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.799 -4.391 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.079 -2.232 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.985 -3.168 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.523 -3.152 -7.616 1.00 0.00 H new ATOM 397 N ASP A 27 6.925 -7.257 -6.245 1.00 0.00 N ATOM 398 CA ASP A 27 6.011 -8.387 -6.365 1.00 0.00 C ATOM 399 C ASP A 27 5.140 -8.517 -5.119 1.00 0.00 C ATOM 400 O ASP A 27 5.637 -8.803 -4.030 1.00 0.00 O ATOM 401 CB ASP A 27 6.793 -9.682 -6.592 1.00 0.00 C ATOM 402 CG ASP A 27 8.091 -9.719 -5.809 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.102 -9.187 -6.312 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.095 -10.281 -4.694 1.00 0.00 O ATOM 0 H ASP A 27 6.940 -6.823 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 27 5.363 -8.208 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.174 -10.532 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.010 -9.791 -7.655 1.00 0.00 H new ATOM 409 N ILE A 28 3.839 -8.304 -5.288 1.00 0.00 N ATOM 410 CA ILE A 28 2.900 -8.397 -4.177 1.00 0.00 C ATOM 411 C ILE A 28 2.289 -9.791 -4.090 1.00 0.00 C ATOM 412 O ILE A 28 1.260 -10.068 -4.707 1.00 0.00 O ATOM 413 CB ILE A 28 1.769 -7.360 -4.308 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.351 -5.949 -4.412 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.818 -7.461 -3.125 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.365 -4.925 -4.930 1.00 0.00 C ATOM 0 H ILE A 28 3.412 -8.066 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 28 3.465 -8.193 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 28 1.208 -7.569 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.704 -5.637 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.220 -5.971 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.024 -6.722 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.382 -8.459 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.365 -7.274 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.846 -3.948 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.031 -5.214 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.507 -4.875 -4.260 1.00 0.00 H new ATOM 428 N GLN A 29 2.928 -10.664 -3.318 1.00 0.00 N ATOM 429 CA GLN A 29 2.446 -12.030 -3.149 1.00 0.00 C ATOM 430 C GLN A 29 1.583 -12.152 -1.897 1.00 0.00 C ATOM 431 O GLN A 29 0.567 -12.844 -1.897 1.00 0.00 O ATOM 432 CB GLN A 29 3.624 -13.003 -3.068 1.00 0.00 C ATOM 433 CG GLN A 29 4.151 -13.434 -4.427 1.00 0.00 C ATOM 434 CD GLN A 29 5.474 -14.169 -4.333 1.00 0.00 C ATOM 435 OE1 GLN A 29 6.524 -13.558 -4.135 1.00 0.00 O ATOM 436 NE2 GLN A 29 5.429 -15.489 -4.476 1.00 0.00 N ATOM 0 H GLN A 29 3.780 -10.450 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 29 1.835 -12.282 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.432 -12.536 -2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.317 -13.887 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.416 -14.077 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.272 -12.556 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.536 -15.954 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.287 -16.037 -4.423 1.00 0.00 H new ATOM 445 N ASN A 30 1.997 -11.474 -0.831 1.00 0.00 N ATOM 446 CA ASN A 30 1.263 -11.507 0.428 1.00 0.00 C ATOM 447 C ASN A 30 1.637 -10.318 1.308 1.00 0.00 C ATOM 448 O ASN A 30 2.553 -9.560 0.989 1.00 0.00 O ATOM 449 CB ASN A 30 1.544 -12.815 1.172 1.00 0.00 C ATOM 450 CG ASN A 30 2.963 -13.306 0.962 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.935 -12.459 1.279 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.182 -14.434 0.520 1.00 0.00 N flip ATOM 0 H ASN A 30 2.837 -10.895 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 30 0.199 -11.447 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.367 -12.669 2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.844 -13.579 0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.404 -15.052 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.142 -14.751 0.384 1.00 0.00 H new ATOM 459 N PHE A 31 0.922 -10.161 2.417 1.00 0.00 N ATOM 460 CA PHE A 31 1.178 -9.065 3.343 1.00 0.00 C ATOM 461 C PHE A 31 2.071 -9.521 4.493 1.00 0.00 C ATOM 462 O PHE A 31 1.825 -9.192 5.653 1.00 0.00 O ATOM 463 CB PHE A 31 -0.140 -8.515 3.893 1.00 0.00 C ATOM 464 CG PHE A 31 -1.139 -8.174 2.825 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.169 -6.908 2.264 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.051 -9.120 2.384 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.087 -6.591 1.281 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.971 -8.809 1.401 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.990 -7.543 0.849 1.00 0.00 C ATOM 0 H PHE A 31 0.160 -10.779 2.696 1.00 0.00 H new ATOM 0 HA PHE A 31 1.694 -8.275 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.578 -9.251 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.066 -7.623 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.466 -6.159 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.042 -10.111 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.098 -5.600 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.675 -9.556 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.709 -7.298 0.081 1.00 0.00 H new ATOM 479 N SER A 32 3.110 -10.281 4.161 1.00 0.00 N ATOM 480 CA SER A 32 4.039 -10.787 5.165 1.00 0.00 C ATOM 481 C SER A 32 5.429 -10.188 4.971 1.00 0.00 C ATOM 482 O SER A 32 5.909 -9.422 5.806 1.00 0.00 O ATOM 483 CB SER A 32 4.114 -12.313 5.098 1.00 0.00 C ATOM 484 OG SER A 32 2.932 -12.906 5.607 1.00 0.00 O ATOM 0 H SER A 32 3.330 -10.560 3.205 1.00 0.00 H new ATOM 0 HA SER A 32 3.670 -10.492 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.266 -12.627 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.974 -12.663 5.668 1.00 0.00 H new ATOM 0 HG SER A 32 3.005 -13.882 5.551 1.00 0.00 H new ATOM 490 N SER A 33 6.070 -10.544 3.862 1.00 0.00 N ATOM 491 CA SER A 33 7.406 -10.047 3.558 1.00 0.00 C ATOM 492 C SER A 33 7.480 -9.531 2.124 1.00 0.00 C ATOM 493 O SER A 33 8.487 -9.712 1.439 1.00 0.00 O ATOM 494 CB SER A 33 8.445 -11.150 3.770 1.00 0.00 C ATOM 495 OG SER A 33 8.346 -12.143 2.764 1.00 0.00 O ATOM 0 H SER A 33 5.685 -11.175 3.159 1.00 0.00 H new ATOM 0 HA SER A 33 7.622 -9.220 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.446 -10.718 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.302 -11.605 4.750 1.00 0.00 H new ATOM 0 HG SER A 33 9.021 -12.836 2.920 1.00 0.00 H new ATOM 501 N SER A 34 6.407 -8.887 1.677 1.00 0.00 N ATOM 502 CA SER A 34 6.348 -8.348 0.323 1.00 0.00 C ATOM 503 C SER A 34 6.682 -6.860 0.317 1.00 0.00 C ATOM 504 O SER A 34 7.279 -6.351 -0.632 1.00 0.00 O ATOM 505 CB SER A 34 4.959 -8.574 -0.278 1.00 0.00 C ATOM 506 OG SER A 34 4.818 -7.886 -1.509 1.00 0.00 O ATOM 0 H SER A 34 5.567 -8.726 2.232 1.00 0.00 H new ATOM 0 HA SER A 34 7.087 -8.871 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.795 -9.640 -0.433 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.196 -8.233 0.422 1.00 0.00 H new ATOM 0 HG SER A 34 5.274 -8.387 -2.218 1.00 0.00 H new ATOM 512 N TRP A 35 6.291 -6.168 1.381 1.00 0.00 N ATOM 513 CA TRP A 35 6.549 -4.737 1.498 1.00 0.00 C ATOM 514 C TRP A 35 7.810 -4.476 2.314 1.00 0.00 C ATOM 515 O TRP A 35 8.445 -3.431 2.175 1.00 0.00 O ATOM 516 CB TRP A 35 5.354 -4.034 2.145 1.00 0.00 C ATOM 517 CG TRP A 35 4.032 -4.504 1.618 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.471 -5.737 1.793 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.107 -3.749 0.828 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.253 -5.794 1.160 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.006 -4.587 0.561 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.100 -2.447 0.322 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.913 -4.163 -0.190 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.014 -2.027 -0.423 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.933 -2.882 -0.673 1.00 0.00 C ATOM 0 H TRP A 35 5.795 -6.574 2.174 1.00 0.00 H new ATOM 0 HA TRP A 35 6.698 -4.337 0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.386 -4.196 3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.441 -2.960 1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.919 -6.548 2.348 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.633 -6.604 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.929 -1.780 0.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.079 -4.821 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.999 -1.022 -0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.099 -2.524 -1.258 1.00 0.00 H new ATOM 536 N SER A 36 8.167 -5.432 3.165 1.00 0.00 N ATOM 537 CA SER A 36 9.352 -5.303 4.006 1.00 0.00 C ATOM 538 C SER A 36 10.484 -4.616 3.249 1.00 0.00 C ATOM 539 O SER A 36 11.240 -3.830 3.819 1.00 0.00 O ATOM 540 CB SER A 36 9.810 -6.679 4.493 1.00 0.00 C ATOM 541 OG SER A 36 10.224 -7.492 3.408 1.00 0.00 O ATOM 0 H SER A 36 7.653 -6.304 3.291 1.00 0.00 H new ATOM 0 HA SER A 36 9.090 -4.689 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.632 -6.563 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.996 -7.168 5.028 1.00 0.00 H new ATOM 0 HG SER A 36 10.514 -8.365 3.745 1.00 0.00 H new ATOM 547 N ASP A 37 10.594 -4.919 1.960 1.00 0.00 N ATOM 548 CA ASP A 37 11.632 -4.331 1.122 1.00 0.00 C ATOM 549 C ASP A 37 11.565 -2.807 1.163 1.00 0.00 C ATOM 550 O ASP A 37 12.501 -2.146 1.611 1.00 0.00 O ATOM 551 CB ASP A 37 11.492 -4.821 -0.320 1.00 0.00 C ATOM 552 CG ASP A 37 12.714 -4.504 -1.160 1.00 0.00 C ATOM 553 OD1 ASP A 37 13.735 -5.208 -1.012 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.648 -3.553 -1.967 1.00 0.00 O ATOM 0 H ASP A 37 9.977 -5.569 1.473 1.00 0.00 H new ATOM 0 HA ASP A 37 12.600 -4.645 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.324 -5.898 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.614 -4.361 -0.773 1.00 0.00 H new ATOM 559 N GLY A 38 10.451 -2.256 0.691 1.00 0.00 N ATOM 560 CA GLY A 38 10.284 -0.814 0.681 1.00 0.00 C ATOM 561 C GLY A 38 9.691 -0.308 -0.619 1.00 0.00 C ATOM 562 O GLY A 38 8.608 0.276 -0.629 1.00 0.00 O ATOM 0 H GLY A 38 9.662 -2.782 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.639 -0.520 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.251 -0.338 0.845 1.00 0.00 H new ATOM 566 N MET A 39 10.403 -0.530 -1.718 1.00 0.00 N ATOM 567 CA MET A 39 9.941 -0.091 -3.030 1.00 0.00 C ATOM 568 C MET A 39 8.454 -0.380 -3.206 1.00 0.00 C ATOM 569 O MET A 39 7.708 0.450 -3.725 1.00 0.00 O ATOM 570 CB MET A 39 10.741 -0.783 -4.135 1.00 0.00 C ATOM 571 CG MET A 39 12.181 -0.304 -4.234 1.00 0.00 C ATOM 572 SD MET A 39 12.311 1.368 -4.897 1.00 0.00 S ATOM 573 CE MET A 39 13.386 1.091 -6.303 1.00 0.00 C ATOM 0 H MET A 39 11.302 -1.011 -1.727 1.00 0.00 H new ATOM 0 HA MET A 39 10.096 0.986 -3.100 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.736 -1.858 -3.957 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.245 -0.616 -5.091 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.639 -0.336 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.745 -0.988 -4.869 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.561 2.035 -6.818 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.337 0.683 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.915 0.386 -6.988 1.00 0.00 H new ATOM 583 N ALA A 40 8.029 -1.562 -2.772 1.00 0.00 N ATOM 584 CA ALA A 40 6.631 -1.959 -2.880 1.00 0.00 C ATOM 585 C ALA A 40 5.704 -0.763 -2.690 1.00 0.00 C ATOM 586 O ALA A 40 5.028 -0.334 -3.625 1.00 0.00 O ATOM 587 CB ALA A 40 6.310 -3.045 -1.864 1.00 0.00 C ATOM 0 H ALA A 40 8.634 -2.262 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 40 6.469 -2.356 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.262 -3.332 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.942 -3.914 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.496 -2.669 -0.858 1.00 0.00 H new ATOM 593 N PHE A 41 5.678 -0.229 -1.474 1.00 0.00 N ATOM 594 CA PHE A 41 4.833 0.918 -1.161 1.00 0.00 C ATOM 595 C PHE A 41 5.034 2.036 -2.179 1.00 0.00 C ATOM 596 O PHE A 41 4.075 2.522 -2.781 1.00 0.00 O ATOM 597 CB PHE A 41 5.137 1.433 0.247 1.00 0.00 C ATOM 598 CG PHE A 41 4.538 0.591 1.337 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.175 0.620 1.584 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.338 -0.231 2.115 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.620 -0.154 2.585 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.789 -1.008 3.117 1.00 0.00 C ATOM 603 CZ PHE A 41 3.429 -0.968 3.354 1.00 0.00 C ATOM 0 H PHE A 41 6.232 -0.572 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 41 3.793 0.594 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.218 1.475 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.764 2.453 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.538 1.256 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.403 -0.265 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.556 -0.123 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.423 -1.646 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.999 -1.572 4.139 1.00 0.00 H new ATOM 613 N CYS A 42 6.285 2.440 -2.365 1.00 0.00 N ATOM 614 CA CYS A 42 6.614 3.503 -3.309 1.00 0.00 C ATOM 615 C CYS A 42 5.891 3.293 -4.636 1.00 0.00 C ATOM 616 O CYS A 42 5.150 4.162 -5.094 1.00 0.00 O ATOM 617 CB CYS A 42 8.124 3.560 -3.540 1.00 0.00 C ATOM 618 SG CYS A 42 9.060 4.227 -2.144 1.00 0.00 S ATOM 0 H CYS A 42 7.089 2.048 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 42 6.284 4.450 -2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.485 2.555 -3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.323 4.169 -4.421 1.00 0.00 H new ATOM 0 HG CYS A 42 8.582 3.749 -1.033 1.00 0.00 H new ATOM 624 N ALA A 43 6.115 2.135 -5.249 1.00 0.00 N ATOM 625 CA ALA A 43 5.485 1.812 -6.523 1.00 0.00 C ATOM 626 C ALA A 43 3.971 1.968 -6.442 1.00 0.00 C ATOM 627 O ALA A 43 3.349 2.560 -7.326 1.00 0.00 O ATOM 628 CB ALA A 43 5.851 0.397 -6.947 1.00 0.00 C ATOM 0 H ALA A 43 6.728 1.406 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 43 5.855 2.512 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.374 0.168 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.933 0.318 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.509 -0.309 -6.191 1.00 0.00 H new ATOM 634 N LEU A 44 3.382 1.433 -5.379 1.00 0.00 N ATOM 635 CA LEU A 44 1.938 1.512 -5.183 1.00 0.00 C ATOM 636 C LEU A 44 1.456 2.957 -5.262 1.00 0.00 C ATOM 637 O LEU A 44 0.467 3.257 -5.930 1.00 0.00 O ATOM 638 CB LEU A 44 1.553 0.907 -3.832 1.00 0.00 C ATOM 639 CG LEU A 44 0.055 0.807 -3.543 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.616 -0.139 -4.528 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.184 0.348 -2.112 1.00 0.00 C ATOM 0 H LEU A 44 3.881 0.940 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 44 1.457 0.944 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.982 -0.093 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.015 1.503 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.385 1.797 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.682 -0.198 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.476 0.233 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.172 -1.131 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.256 0.283 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.271 -0.631 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.262 1.063 -1.421 1.00 0.00 H new ATOM 653 N VAL A 45 2.164 3.849 -4.576 1.00 0.00 N ATOM 654 CA VAL A 45 1.810 5.264 -4.570 1.00 0.00 C ATOM 655 C VAL A 45 2.092 5.905 -5.925 1.00 0.00 C ATOM 656 O VAL A 45 1.187 6.429 -6.576 1.00 0.00 O ATOM 657 CB VAL A 45 2.583 6.031 -3.481 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.166 7.494 -3.460 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.364 5.387 -2.120 1.00 0.00 C ATOM 0 H VAL A 45 2.985 3.617 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 45 0.743 5.323 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 45 3.647 5.984 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.723 8.020 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.378 7.947 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.098 7.565 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.917 5.941 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.301 5.402 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.716 4.356 -2.145 1.00 0.00 H new ATOM 669 N HIS A 46 3.352 5.861 -6.344 1.00 0.00 N ATOM 670 CA HIS A 46 3.753 6.437 -7.622 1.00 0.00 C ATOM 671 C HIS A 46 2.675 6.218 -8.679 1.00 0.00 C ATOM 672 O HIS A 46 2.366 7.117 -9.460 1.00 0.00 O ATOM 673 CB HIS A 46 5.074 5.825 -8.090 1.00 0.00 C ATOM 674 CG HIS A 46 5.614 6.448 -9.341 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.668 5.785 -10.549 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.123 7.681 -9.566 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.189 6.583 -11.463 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.474 7.740 -10.893 1.00 0.00 N ATOM 0 H HIS A 46 4.113 5.432 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 46 3.888 7.510 -7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.813 5.926 -7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.931 4.758 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.233 8.471 -8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.354 6.332 -12.500 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.887 8.546 -11.362 1.00 0.00 H new ATOM 687 N ASN A 47 2.107 5.017 -8.698 1.00 0.00 N ATOM 688 CA ASN A 47 1.064 4.679 -9.660 1.00 0.00 C ATOM 689 C ASN A 47 -0.066 5.703 -9.619 1.00 0.00 C ATOM 690 O ASN A 47 -0.545 6.157 -10.658 1.00 0.00 O ATOM 691 CB ASN A 47 0.512 3.281 -9.376 1.00 0.00 C ATOM 692 CG ASN A 47 -0.697 2.952 -10.230 1.00 0.00 C ATOM 693 OD1 ASN A 47 -0.565 2.569 -11.392 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.885 3.102 -9.655 1.00 0.00 N ATOM 0 H ASN A 47 2.351 4.261 -8.058 1.00 0.00 H new ATOM 0 HA ASN A 47 1.506 4.692 -10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.293 2.542 -9.556 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.240 3.208 -8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.735 2.897 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.947 3.422 -8.689 1.00 0.00 H new ATOM 701 N PHE A 48 -0.488 6.062 -8.411 1.00 0.00 N ATOM 702 CA PHE A 48 -1.562 7.032 -8.233 1.00 0.00 C ATOM 703 C PHE A 48 -1.078 8.444 -8.549 1.00 0.00 C ATOM 704 O PHE A 48 -1.698 9.164 -9.332 1.00 0.00 O ATOM 705 CB PHE A 48 -2.099 6.973 -6.801 1.00 0.00 C ATOM 706 CG PHE A 48 -2.094 5.590 -6.215 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.645 4.527 -6.912 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.538 5.354 -4.968 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.642 3.253 -6.374 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.532 4.082 -4.426 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.084 3.031 -5.131 1.00 0.00 C ATOM 0 H PHE A 48 -0.102 5.696 -7.541 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.365 6.779 -8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.499 7.629 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.117 7.361 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.081 4.695 -7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.104 6.173 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.076 2.432 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.096 3.911 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.079 2.036 -4.710 1.00 0.00 H new ATOM 721 N PHE A 49 0.034 8.833 -7.934 1.00 0.00 N ATOM 722 CA PHE A 49 0.601 10.160 -8.148 1.00 0.00 C ATOM 723 C PHE A 49 2.057 10.063 -8.594 1.00 0.00 C ATOM 724 O PHE A 49 2.985 10.107 -7.785 1.00 0.00 O ATOM 725 CB PHE A 49 0.502 10.993 -6.869 1.00 0.00 C ATOM 726 CG PHE A 49 -0.843 10.915 -6.206 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.164 9.849 -5.380 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.789 11.908 -6.409 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.401 9.775 -4.768 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.027 11.839 -5.799 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.334 10.771 -4.979 1.00 0.00 C ATOM 0 H PHE A 49 0.560 8.249 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 49 0.029 10.649 -8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.265 10.657 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.722 12.034 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.439 9.067 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.556 12.745 -7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.638 8.940 -4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.754 12.620 -5.963 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.302 10.715 -4.504 1.00 0.00 H new ATOM 741 N PRO A 50 2.264 9.926 -9.912 1.00 0.00 N ATOM 742 CA PRO A 50 3.605 9.820 -10.496 1.00 0.00 C ATOM 743 C PRO A 50 4.380 11.130 -10.411 1.00 0.00 C ATOM 744 O PRO A 50 5.566 11.139 -10.084 1.00 0.00 O ATOM 745 CB PRO A 50 3.327 9.457 -11.957 1.00 0.00 C ATOM 746 CG PRO A 50 1.963 9.990 -12.227 1.00 0.00 C ATOM 747 CD PRO A 50 1.206 9.866 -10.934 1.00 0.00 C ATOM 0 HA PRO A 50 4.222 9.091 -9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.065 9.903 -12.623 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.368 8.379 -12.112 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.008 11.029 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.474 9.426 -13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.484 10.673 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.650 8.930 -10.882 1.00 0.00 H new ATOM 755 N GLU A 51 3.701 12.234 -10.706 1.00 0.00 N ATOM 756 CA GLU A 51 4.328 13.550 -10.662 1.00 0.00 C ATOM 757 C GLU A 51 4.684 13.936 -9.229 1.00 0.00 C ATOM 758 O GLU A 51 5.675 14.625 -8.989 1.00 0.00 O ATOM 759 CB GLU A 51 3.398 14.603 -11.269 1.00 0.00 C ATOM 760 CG GLU A 51 2.059 14.714 -10.560 1.00 0.00 C ATOM 761 CD GLU A 51 1.312 15.983 -10.920 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.927 17.069 -10.872 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.111 15.890 -11.251 1.00 0.00 O ATOM 0 H GLU A 51 2.718 12.243 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 51 5.247 13.506 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.895 15.573 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.225 14.362 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.445 13.850 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.219 14.684 -9.482 1.00 0.00 H new ATOM 770 N ALA A 52 3.867 13.487 -8.282 1.00 0.00 N ATOM 771 CA ALA A 52 4.096 13.784 -6.873 1.00 0.00 C ATOM 772 C ALA A 52 5.556 13.557 -6.494 1.00 0.00 C ATOM 773 O ALA A 52 6.136 14.329 -5.730 1.00 0.00 O ATOM 774 CB ALA A 52 3.185 12.933 -6.000 1.00 0.00 C ATOM 0 H ALA A 52 3.041 12.917 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 52 3.864 14.836 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.366 13.165 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.144 13.146 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.391 11.878 -6.179 1.00 0.00 H new ATOM 780 N PHE A 53 6.144 12.494 -7.032 1.00 0.00 N ATOM 781 CA PHE A 53 7.536 12.166 -6.749 1.00 0.00 C ATOM 782 C PHE A 53 8.074 11.158 -7.761 1.00 0.00 C ATOM 783 O PHE A 53 7.359 10.252 -8.190 1.00 0.00 O ATOM 784 CB PHE A 53 7.672 11.605 -5.332 1.00 0.00 C ATOM 785 CG PHE A 53 7.052 10.248 -5.162 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.718 10.038 -5.470 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.804 9.181 -4.696 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.145 8.790 -5.314 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.236 7.931 -4.538 1.00 0.00 C ATOM 790 CZ PHE A 53 5.905 7.735 -4.849 1.00 0.00 C ATOM 0 H PHE A 53 5.678 11.845 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 53 8.122 13.082 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.729 11.548 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.209 12.298 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.119 10.859 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.846 9.328 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.103 8.640 -5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.832 7.108 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.459 6.759 -4.729 1.00 0.00 H new ATOM 800 N ASP A 54 9.337 11.322 -8.137 1.00 0.00 N ATOM 801 CA ASP A 54 9.972 10.427 -9.097 1.00 0.00 C ATOM 802 C ASP A 54 10.271 9.073 -8.462 1.00 0.00 C ATOM 803 O ASP A 54 10.955 8.992 -7.442 1.00 0.00 O ATOM 804 CB ASP A 54 11.263 11.050 -9.632 1.00 0.00 C ATOM 805 CG ASP A 54 11.037 12.424 -10.232 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.548 12.497 -11.380 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.348 13.426 -9.555 1.00 0.00 O ATOM 0 H ASP A 54 9.942 12.067 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 54 9.281 10.275 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.989 11.125 -8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.694 10.393 -10.387 1.00 0.00 H new ATOM 812 N TYR A 55 9.754 8.012 -9.072 1.00 0.00 N ATOM 813 CA TYR A 55 9.962 6.661 -8.565 1.00 0.00 C ATOM 814 C TYR A 55 11.381 6.183 -8.857 1.00 0.00 C ATOM 815 O TYR A 55 12.136 5.848 -7.946 1.00 0.00 O ATOM 816 CB TYR A 55 8.949 5.699 -9.186 1.00 0.00 C ATOM 817 CG TYR A 55 9.192 4.250 -8.828 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.742 3.727 -7.622 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.873 3.404 -9.695 1.00 0.00 C ATOM 820 CE1 TYR A 55 8.962 2.404 -7.290 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.097 2.080 -9.372 1.00 0.00 C ATOM 822 CZ TYR A 55 9.640 1.584 -8.169 1.00 0.00 C ATOM 823 OH TYR A 55 9.862 0.266 -7.843 1.00 0.00 O ATOM 0 H TYR A 55 9.188 8.062 -9.919 1.00 0.00 H new ATOM 0 HA TYR A 55 9.819 6.679 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.947 5.981 -8.863 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.976 5.806 -10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.211 4.366 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.233 3.789 -10.638 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.605 2.014 -6.348 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.627 1.436 -10.058 1.00 0.00 H new ATOM 0 HH TYR A 55 10.352 -0.173 -8.570 1.00 0.00 H new ATOM 833 N GLY A 56 11.736 6.153 -10.138 1.00 0.00 N ATOM 834 CA GLY A 56 13.063 5.715 -10.530 1.00 0.00 C ATOM 835 C GLY A 56 14.155 6.357 -9.697 1.00 0.00 C ATOM 836 O GLY A 56 15.224 5.775 -9.510 1.00 0.00 O ATOM 0 H GLY A 56 11.128 6.424 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.127 4.631 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.225 5.953 -11.581 1.00 0.00 H new ATOM 840 N GLN A 57 13.887 7.559 -9.198 1.00 0.00 N ATOM 841 CA GLN A 57 14.857 8.280 -8.382 1.00 0.00 C ATOM 842 C GLN A 57 15.189 7.500 -7.114 1.00 0.00 C ATOM 843 O GLN A 57 16.331 7.504 -6.652 1.00 0.00 O ATOM 844 CB GLN A 57 14.320 9.665 -8.018 1.00 0.00 C ATOM 845 CG GLN A 57 14.580 10.718 -9.082 1.00 0.00 C ATOM 846 CD GLN A 57 16.014 11.209 -9.079 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.932 10.478 -8.705 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.215 12.453 -9.497 1.00 0.00 N ATOM 0 H GLN A 57 13.007 8.054 -9.344 1.00 0.00 H new ATOM 0 HA GLN A 57 15.771 8.395 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.246 9.595 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.775 9.987 -7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.344 10.304 -10.062 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.910 11.563 -8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.425 13.024 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.159 12.838 -9.517 1.00 0.00 H new ATOM 857 N LEU A 58 14.185 6.834 -6.556 1.00 0.00 N ATOM 858 CA LEU A 58 14.370 6.049 -5.340 1.00 0.00 C ATOM 859 C LEU A 58 15.287 4.857 -5.595 1.00 0.00 C ATOM 860 O LEU A 58 15.476 4.440 -6.738 1.00 0.00 O ATOM 861 CB LEU A 58 13.019 5.564 -4.812 1.00 0.00 C ATOM 862 CG LEU A 58 11.953 6.640 -4.608 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.576 6.009 -4.471 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.277 7.487 -3.386 1.00 0.00 C ATOM 0 H LEU A 58 13.234 6.821 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 58 14.837 6.689 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.627 4.819 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.184 5.059 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 58 11.947 7.289 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.830 6.791 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.342 5.447 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.568 5.337 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.507 8.248 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.311 6.851 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.245 7.970 -3.524 1.00 0.00 H new ATOM 876 N SER A 59 15.853 4.312 -4.523 1.00 0.00 N ATOM 877 CA SER A 59 16.752 3.169 -4.631 1.00 0.00 C ATOM 878 C SER A 59 16.340 2.062 -3.665 1.00 0.00 C ATOM 879 O SER A 59 15.724 2.305 -2.628 1.00 0.00 O ATOM 880 CB SER A 59 18.193 3.597 -4.350 1.00 0.00 C ATOM 881 OG SER A 59 18.732 4.323 -5.441 1.00 0.00 O ATOM 0 H SER A 59 15.705 4.644 -3.570 1.00 0.00 H new ATOM 0 HA SER A 59 16.688 2.783 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.224 4.211 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.806 2.717 -4.157 1.00 0.00 H new ATOM 0 HG SER A 59 19.653 4.586 -5.235 1.00 0.00 H new ATOM 887 N PRO A 60 16.690 0.814 -4.012 1.00 0.00 N ATOM 888 CA PRO A 60 16.369 -0.356 -3.190 1.00 0.00 C ATOM 889 C PRO A 60 17.167 -0.389 -1.892 1.00 0.00 C ATOM 890 O PRO A 60 16.619 -0.655 -0.823 1.00 0.00 O ATOM 891 CB PRO A 60 16.755 -1.536 -4.086 1.00 0.00 C ATOM 892 CG PRO A 60 17.793 -0.990 -5.004 1.00 0.00 C ATOM 893 CD PRO A 60 17.427 0.450 -5.235 1.00 0.00 C ATOM 0 HA PRO A 60 15.324 -0.362 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.144 -2.368 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.894 -1.911 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.786 -1.074 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.813 -1.543 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.311 1.073 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.811 0.570 -6.126 1.00 0.00 H new ATOM 901 N GLN A 61 18.464 -0.117 -1.993 1.00 0.00 N ATOM 902 CA GLN A 61 19.338 -0.116 -0.825 1.00 0.00 C ATOM 903 C GLN A 61 18.729 0.702 0.309 1.00 0.00 C ATOM 904 O GLN A 61 19.093 0.535 1.472 1.00 0.00 O ATOM 905 CB GLN A 61 20.714 0.443 -1.191 1.00 0.00 C ATOM 906 CG GLN A 61 21.691 -0.616 -1.677 1.00 0.00 C ATOM 907 CD GLN A 61 22.351 -1.367 -0.538 1.00 0.00 C ATOM 908 OE1 GLN A 61 21.791 -2.323 -0.002 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.550 -0.938 -0.162 1.00 0.00 N ATOM 0 H GLN A 61 18.933 0.105 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 61 19.451 -1.146 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.595 1.199 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 21.137 0.944 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.165 -1.324 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 61 22.459 -0.143 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.978 -0.141 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.043 -1.405 0.599 1.00 0.00 H new ATOM 918 N ASN A 62 17.800 1.586 -0.038 1.00 0.00 N ATOM 919 CA ASN A 62 17.141 2.431 0.951 1.00 0.00 C ATOM 920 C ASN A 62 15.961 1.704 1.588 1.00 0.00 C ATOM 921 O ASN A 62 14.973 1.399 0.920 1.00 0.00 O ATOM 922 CB ASN A 62 16.664 3.733 0.304 1.00 0.00 C ATOM 923 CG ASN A 62 17.712 4.827 0.364 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.195 5.181 1.439 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.069 5.368 -0.795 1.00 0.00 N ATOM 0 H ASN A 62 17.486 1.736 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 62 17.865 2.665 1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.400 3.543 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.758 4.074 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.770 6.108 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.642 5.043 -1.662 1.00 0.00 H new ATOM 932 N ARG A 63 16.071 1.430 2.884 1.00 0.00 N ATOM 933 CA ARG A 63 15.014 0.738 3.611 1.00 0.00 C ATOM 934 C ARG A 63 14.008 1.733 4.185 1.00 0.00 C ATOM 935 O ARG A 63 12.797 1.543 4.069 1.00 0.00 O ATOM 936 CB ARG A 63 15.610 -0.108 4.738 1.00 0.00 C ATOM 937 CG ARG A 63 16.347 -1.343 4.247 1.00 0.00 C ATOM 938 CD ARG A 63 17.793 -1.027 3.899 1.00 0.00 C ATOM 939 NE ARG A 63 18.364 -2.011 2.983 1.00 0.00 N ATOM 940 CZ ARG A 63 18.905 -3.157 3.380 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.948 -3.462 4.669 1.00 0.00 N ATOM 942 NH2 ARG A 63 19.403 -4.001 2.486 1.00 0.00 N ATOM 0 H ARG A 63 16.882 1.677 3.452 1.00 0.00 H new ATOM 0 HA ARG A 63 14.494 0.084 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.297 0.508 5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.810 -0.416 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.317 -2.115 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.840 -1.746 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.849 -0.036 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.387 -0.995 4.812 1.00 0.00 H new ATOM 0 HE ARG A 63 18.346 -1.807 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.565 -2.816 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.364 -4.343 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.371 -3.770 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.818 -4.881 2.792 1.00 0.00 H new ATOM 956 N ARG A 64 14.519 2.792 4.804 1.00 0.00 N ATOM 957 CA ARG A 64 13.666 3.815 5.397 1.00 0.00 C ATOM 958 C ARG A 64 13.031 4.686 4.317 1.00 0.00 C ATOM 959 O ARG A 64 11.810 4.706 4.161 1.00 0.00 O ATOM 960 CB ARG A 64 14.473 4.686 6.361 1.00 0.00 C ATOM 961 CG ARG A 64 15.009 3.927 7.564 1.00 0.00 C ATOM 962 CD ARG A 64 15.577 4.873 8.611 1.00 0.00 C ATOM 963 NE ARG A 64 16.567 5.785 8.046 1.00 0.00 N ATOM 964 CZ ARG A 64 17.430 6.479 8.779 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.426 6.365 10.100 1.00 0.00 N ATOM 966 NH2 ARG A 64 18.302 7.289 8.191 1.00 0.00 N ATOM 0 H ARG A 64 15.519 2.964 4.908 1.00 0.00 H new ATOM 0 HA ARG A 64 12.871 3.314 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.309 5.132 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.845 5.506 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.210 3.331 8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.784 3.232 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.766 5.449 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.034 4.293 9.413 1.00 0.00 H new ATOM 0 HE ARG A 64 16.598 5.895 7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.759 5.743 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.090 6.899 10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.310 7.379 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.964 7.821 8.755 1.00 0.00 H new ATOM 980 N GLN A 65 13.868 5.405 3.576 1.00 0.00 N ATOM 981 CA GLN A 65 13.388 6.279 2.512 1.00 0.00 C ATOM 982 C GLN A 65 12.212 5.645 1.776 1.00 0.00 C ATOM 983 O GLN A 65 11.150 6.252 1.645 1.00 0.00 O ATOM 984 CB GLN A 65 14.517 6.585 1.526 1.00 0.00 C ATOM 985 CG GLN A 65 14.348 7.910 0.800 1.00 0.00 C ATOM 986 CD GLN A 65 15.670 8.505 0.357 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.659 8.464 1.090 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.694 9.064 -0.847 1.00 0.00 N ATOM 0 H GLN A 65 14.881 5.400 3.693 1.00 0.00 H new ATOM 0 HA GLN A 65 13.050 7.210 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.465 6.593 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.574 5.782 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.710 7.764 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.837 8.616 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.851 9.076 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.556 9.482 -1.198 1.00 0.00 H new ATOM 997 N ASN A 66 12.410 4.422 1.297 1.00 0.00 N ATOM 998 CA ASN A 66 11.366 3.706 0.573 1.00 0.00 C ATOM 999 C ASN A 66 10.032 3.799 1.309 1.00 0.00 C ATOM 1000 O ASN A 66 9.007 4.135 0.717 1.00 0.00 O ATOM 1001 CB ASN A 66 11.758 2.239 0.388 1.00 0.00 C ATOM 1002 CG ASN A 66 12.705 2.036 -0.778 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.864 2.917 -1.623 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.339 0.870 -0.830 1.00 0.00 N ATOM 0 H ASN A 66 13.284 3.906 1.397 1.00 0.00 H new ATOM 0 HA ASN A 66 11.254 4.171 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.227 1.873 1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.859 1.643 0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.988 0.676 -1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.177 0.169 -0.108 1.00 0.00 H new ATOM 1011 N PHE A 67 10.055 3.498 2.603 1.00 0.00 N ATOM 1012 CA PHE A 67 8.848 3.547 3.420 1.00 0.00 C ATOM 1013 C PHE A 67 8.407 4.989 3.653 1.00 0.00 C ATOM 1014 O PHE A 67 7.297 5.375 3.288 1.00 0.00 O ATOM 1015 CB PHE A 67 9.087 2.853 4.763 1.00 0.00 C ATOM 1016 CG PHE A 67 9.036 1.354 4.680 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.954 0.657 3.911 1.00 0.00 C ATOM 1018 CD2 PHE A 67 8.070 0.641 5.371 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.909 -0.722 3.832 1.00 0.00 C ATOM 1020 CE2 PHE A 67 8.019 -0.738 5.297 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.941 -1.420 4.527 1.00 0.00 C ATOM 0 H PHE A 67 10.896 3.218 3.108 1.00 0.00 H new ATOM 0 HA PHE A 67 8.056 3.025 2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.060 3.155 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.339 3.195 5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.714 1.198 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.348 1.170 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.630 -1.253 3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.260 -1.281 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.905 -2.498 4.469 1.00 0.00 H new ATOM 1031 N GLU A 68 9.284 5.779 4.263 1.00 0.00 N ATOM 1032 CA GLU A 68 8.984 7.178 4.545 1.00 0.00 C ATOM 1033 C GLU A 68 8.435 7.878 3.305 1.00 0.00 C ATOM 1034 O GLU A 68 7.263 8.251 3.257 1.00 0.00 O ATOM 1035 CB GLU A 68 10.238 7.902 5.039 1.00 0.00 C ATOM 1036 CG GLU A 68 10.817 7.315 6.316 1.00 0.00 C ATOM 1037 CD GLU A 68 10.225 7.938 7.565 1.00 0.00 C ATOM 1038 OE1 GLU A 68 9.093 7.560 7.936 1.00 0.00 O ATOM 1039 OE2 GLU A 68 10.891 8.801 8.172 1.00 0.00 O ATOM 0 H GLU A 68 10.207 5.475 4.571 1.00 0.00 H new ATOM 0 HA GLU A 68 8.224 7.209 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.997 7.870 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.998 8.952 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.638 6.240 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.898 7.458 6.320 1.00 0.00 H new ATOM 1046 N VAL A 69 9.292 8.053 2.304 1.00 0.00 N ATOM 1047 CA VAL A 69 8.894 8.707 1.063 1.00 0.00 C ATOM 1048 C VAL A 69 7.491 8.282 0.643 1.00 0.00 C ATOM 1049 O VAL A 69 6.644 9.119 0.333 1.00 0.00 O ATOM 1050 CB VAL A 69 9.878 8.391 -0.079 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.414 9.034 -1.377 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.281 8.854 0.284 1.00 0.00 C ATOM 0 H VAL A 69 10.266 7.751 2.328 1.00 0.00 H new ATOM 0 HA VAL A 69 8.903 9.780 1.254 1.00 0.00 H new ATOM 0 HB VAL A 69 9.903 7.311 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.122 8.800 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.429 8.649 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.358 10.115 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.963 8.623 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.275 9.930 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.611 8.341 1.188 1.00 0.00 H new ATOM 1062 N ALA A 70 7.253 6.974 0.635 1.00 0.00 N ATOM 1063 CA ALA A 70 5.952 6.437 0.256 1.00 0.00 C ATOM 1064 C ALA A 70 4.840 7.035 1.111 1.00 0.00 C ATOM 1065 O ALA A 70 3.811 7.471 0.594 1.00 0.00 O ATOM 1066 CB ALA A 70 5.953 4.920 0.373 1.00 0.00 C ATOM 0 H ALA A 70 7.944 6.267 0.887 1.00 0.00 H new ATOM 0 HA ALA A 70 5.762 6.710 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.975 4.532 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.715 4.505 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.169 4.635 1.402 1.00 0.00 H new ATOM 1072 N PHE A 71 5.054 7.052 2.423 1.00 0.00 N ATOM 1073 CA PHE A 71 4.068 7.595 3.351 1.00 0.00 C ATOM 1074 C PHE A 71 3.914 9.101 3.160 1.00 0.00 C ATOM 1075 O PHE A 71 2.853 9.582 2.760 1.00 0.00 O ATOM 1076 CB PHE A 71 4.474 7.292 4.794 1.00 0.00 C ATOM 1077 CG PHE A 71 4.507 5.824 5.112 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.423 5.014 4.816 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.621 5.256 5.708 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.450 3.663 5.106 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.653 3.905 6.001 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.566 3.108 5.701 1.00 0.00 C ATOM 0 H PHE A 71 5.901 6.696 2.867 1.00 0.00 H new ATOM 0 HA PHE A 71 3.109 7.120 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.459 7.719 4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.777 7.787 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.547 5.443 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.473 5.875 5.946 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.599 3.042 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.528 3.473 6.464 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.588 2.053 5.931 1.00 0.00 H new ATOM 1092 N SER A 72 4.980 9.841 3.448 1.00 0.00 N ATOM 1093 CA SER A 72 4.962 11.293 3.313 1.00 0.00 C ATOM 1094 C SER A 72 4.422 11.705 1.947 1.00 0.00 C ATOM 1095 O SER A 72 3.462 12.470 1.852 1.00 0.00 O ATOM 1096 CB SER A 72 6.369 11.861 3.510 1.00 0.00 C ATOM 1097 OG SER A 72 6.668 12.018 4.886 1.00 0.00 O ATOM 0 H SER A 72 5.867 9.459 3.776 1.00 0.00 H new ATOM 0 HA SER A 72 4.303 11.697 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.100 11.197 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.450 12.824 3.005 1.00 0.00 H new ATOM 0 HG SER A 72 7.573 12.381 4.985 1.00 0.00 H new ATOM 1103 N SER A 73 5.045 11.191 0.892 1.00 0.00 N ATOM 1104 CA SER A 73 4.630 11.507 -0.470 1.00 0.00 C ATOM 1105 C SER A 73 3.109 11.529 -0.583 1.00 0.00 C ATOM 1106 O SER A 73 2.530 12.464 -1.134 1.00 0.00 O ATOM 1107 CB SER A 73 5.212 10.489 -1.453 1.00 0.00 C ATOM 1108 OG SER A 73 6.614 10.648 -1.581 1.00 0.00 O ATOM 0 H SER A 73 5.839 10.554 0.954 1.00 0.00 H new ATOM 0 HA SER A 73 5.010 12.498 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.987 9.479 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.739 10.608 -2.428 1.00 0.00 H new ATOM 0 HG SER A 73 7.053 10.354 -0.756 1.00 0.00 H new ATOM 1114 N ALA A 74 2.468 10.490 -0.058 1.00 0.00 N ATOM 1115 CA ALA A 74 1.015 10.389 -0.097 1.00 0.00 C ATOM 1116 C ALA A 74 0.363 11.545 0.655 1.00 0.00 C ATOM 1117 O ALA A 74 -0.487 12.249 0.113 1.00 0.00 O ATOM 1118 CB ALA A 74 0.562 9.057 0.483 1.00 0.00 C ATOM 0 H ALA A 74 2.933 9.706 0.400 1.00 0.00 H new ATOM 0 HA ALA A 74 0.700 10.445 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.526 8.996 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.991 8.242 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.896 8.978 1.518 1.00 0.00 H new ATOM 1124 N GLU A 75 0.768 11.732 1.908 1.00 0.00 N ATOM 1125 CA GLU A 75 0.222 12.802 2.734 1.00 0.00 C ATOM 1126 C GLU A 75 0.091 14.095 1.934 1.00 0.00 C ATOM 1127 O GLU A 75 -0.815 14.895 2.168 1.00 0.00 O ATOM 1128 CB GLU A 75 1.109 13.034 3.959 1.00 0.00 C ATOM 1129 CG GLU A 75 0.786 14.315 4.711 1.00 0.00 C ATOM 1130 CD GLU A 75 1.527 15.518 4.160 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.738 15.391 3.881 1.00 0.00 O ATOM 1132 OE2 GLU A 75 0.897 16.585 4.008 1.00 0.00 O ATOM 0 H GLU A 75 1.471 11.157 2.372 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.771 12.499 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.005 12.188 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.152 13.062 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.287 14.500 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.039 14.188 5.763 1.00 0.00 H new ATOM 1139 N THR A 76 1.005 14.294 0.989 1.00 0.00 N ATOM 1140 CA THR A 76 0.994 15.489 0.155 1.00 0.00 C ATOM 1141 C THR A 76 -0.431 15.934 -0.151 1.00 0.00 C ATOM 1142 O THR A 76 -0.899 16.951 0.362 1.00 0.00 O ATOM 1143 CB THR A 76 1.743 15.256 -1.170 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.094 14.860 -0.907 1.00 0.00 O ATOM 1145 CG2 THR A 76 1.736 16.515 -2.024 1.00 0.00 C ATOM 0 H THR A 76 1.762 13.643 0.782 1.00 0.00 H new ATOM 0 HA THR A 76 1.502 16.272 0.718 1.00 0.00 H new ATOM 0 HB THR A 76 1.232 14.463 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.239 13.950 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.271 16.326 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.707 16.797 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.225 17.325 -1.482 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.119 15.164 -0.989 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.494 15.479 -1.362 1.00 0.00 C ATOM 1155 C HIS A 77 -3.462 14.454 -0.780 1.00 0.00 C ATOM 1156 O HIS A 77 -4.672 14.678 -0.747 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.633 15.524 -2.884 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.687 14.609 -3.600 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -1.039 14.960 -4.765 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.281 13.352 -3.308 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.275 13.957 -5.160 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.404 12.969 -4.293 1.00 0.00 N ATOM 0 H HIS A 77 -0.747 14.319 -1.422 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.741 16.459 -0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.655 15.260 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.466 16.545 -3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.589 12.760 -2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.349 13.947 -6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.071 12.068 -4.346 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.922 13.329 -0.323 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.739 12.270 0.258 1.00 0.00 C ATOM 1173 C ALA A 78 -3.934 12.487 1.754 1.00 0.00 C ATOM 1174 O ALA A 78 -4.973 12.132 2.312 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.105 10.911 -0.003 1.00 0.00 C ATOM 0 H ALA A 78 -1.922 13.127 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.719 12.298 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.725 10.130 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.023 10.748 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.112 10.881 0.445 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.929 13.070 2.399 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.991 13.334 3.832 1.00 0.00 C ATOM 1183 C ASP A 79 -3.426 12.087 4.596 1.00 0.00 C ATOM 1184 O ASP A 79 -4.374 12.127 5.381 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.956 14.485 4.119 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.564 15.276 5.351 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.726 14.748 6.471 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -3.095 16.423 5.196 1.00 0.00 O ATOM 0 H ASP A 79 -2.062 13.369 1.952 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.993 13.615 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.988 15.152 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.962 14.087 4.251 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.727 10.982 4.361 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.042 9.722 5.025 1.00 0.00 C ATOM 1195 C CYS A 80 -2.322 9.620 6.366 1.00 0.00 C ATOM 1196 O CYS A 80 -1.141 9.943 6.490 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.656 8.541 4.134 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.866 6.925 4.918 1.00 0.00 S ATOM 0 H CYS A 80 -1.939 10.933 3.716 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.116 9.694 5.207 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.258 8.573 3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.615 8.653 3.831 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.124 6.597 4.905 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.050 9.163 7.396 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.502 9.009 8.746 1.00 0.00 C ATOM 1206 C PRO A 81 -1.486 7.875 8.834 1.00 0.00 C ATOM 1207 O PRO A 81 -1.854 6.701 8.858 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.735 8.688 9.595 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.705 8.082 8.641 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.465 8.760 7.320 1.00 0.00 C ATOM 0 HA PRO A 81 -1.963 9.899 9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.491 7.998 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.143 9.587 10.056 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.553 7.006 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.730 8.235 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.646 8.085 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.121 9.620 7.184 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.207 8.235 8.882 1.00 0.00 N ATOM 1219 CA GLN A 82 0.861 7.247 8.966 1.00 0.00 C ATOM 1220 C GLN A 82 0.661 6.330 10.168 1.00 0.00 C ATOM 1221 O GLN A 82 0.918 6.718 11.309 1.00 0.00 O ATOM 1222 CB GLN A 82 2.221 7.942 9.061 1.00 0.00 C ATOM 1223 CG GLN A 82 2.646 8.626 7.772 1.00 0.00 C ATOM 1224 CD GLN A 82 1.942 9.952 7.556 1.00 0.00 C ATOM 1225 OE1 GLN A 82 1.238 10.445 8.437 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.131 10.537 6.379 1.00 0.00 N ATOM 0 H GLN A 82 0.114 9.203 8.864 1.00 0.00 H new ATOM 0 HA GLN A 82 0.833 6.641 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.187 8.682 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.977 7.207 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.724 8.790 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.438 7.967 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.723 10.092 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.684 11.431 6.176 1.00 0.00 H new ATOM 1235 N LEU A 83 0.199 5.112 9.906 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.037 4.139 10.967 1.00 0.00 C ATOM 1237 C LEU A 83 1.217 3.314 11.238 1.00 0.00 C ATOM 1238 O LEU A 83 1.769 3.349 12.339 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.196 3.215 10.589 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.519 3.902 10.249 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.586 2.871 9.914 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -2.972 4.787 11.402 1.00 0.00 C ATOM 0 H LEU A 83 -0.019 4.775 8.968 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.295 4.684 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.891 2.614 9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.369 2.526 11.416 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.365 4.532 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.520 3.379 9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.264 2.280 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.739 2.214 10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.915 5.268 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.109 4.178 12.296 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.217 5.549 11.594 1.00 0.00 H new ATOM 1254 N LEU A 84 1.664 2.576 10.228 1.00 0.00 N ATOM 1255 CA LEU A 84 2.856 1.745 10.357 1.00 0.00 C ATOM 1256 C LEU A 84 4.027 2.552 10.906 1.00 0.00 C ATOM 1257 O LEU A 84 4.173 3.737 10.603 1.00 0.00 O ATOM 1258 CB LEU A 84 3.228 1.141 9.002 1.00 0.00 C ATOM 1259 CG LEU A 84 2.114 0.389 8.272 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.321 0.459 6.767 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.053 -1.058 8.738 1.00 0.00 C ATOM 0 H LEU A 84 1.219 2.536 9.311 1.00 0.00 H new ATOM 0 HA LEU A 84 2.634 0.941 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.582 1.943 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.064 0.457 9.149 1.00 0.00 H new ATOM 0 HG LEU A 84 1.163 0.866 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.519 -0.081 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.313 1.501 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.279 0.008 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.255 -1.578 8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.005 -1.547 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.856 -1.087 9.810 1.00 0.00 H new ATOM 1273 N ASP A 85 4.859 1.904 11.713 1.00 0.00 N ATOM 1274 CA ASP A 85 6.020 2.561 12.302 1.00 0.00 C ATOM 1275 C ASP A 85 7.294 2.196 11.545 1.00 0.00 C ATOM 1276 O ASP A 85 8.006 1.263 11.918 1.00 0.00 O ATOM 1277 CB ASP A 85 6.160 2.174 13.775 1.00 0.00 C ATOM 1278 CG ASP A 85 5.290 3.023 14.681 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.623 4.210 14.882 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.276 2.500 15.189 1.00 0.00 O ATOM 0 H ASP A 85 4.751 0.924 11.975 1.00 0.00 H new ATOM 0 HA ASP A 85 5.871 3.638 12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.893 1.124 13.899 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.202 2.276 14.077 1.00 0.00 H new ATOM 1285 N THR A 86 7.575 2.937 10.478 1.00 0.00 N ATOM 1286 CA THR A 86 8.760 2.691 9.666 1.00 0.00 C ATOM 1287 C THR A 86 9.939 2.262 10.532 1.00 0.00 C ATOM 1288 O THR A 86 10.622 1.285 10.225 1.00 0.00 O ATOM 1289 CB THR A 86 9.159 3.941 8.859 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.988 4.586 8.346 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.085 3.571 7.711 1.00 0.00 C ATOM 0 H THR A 86 6.997 3.713 10.156 1.00 0.00 H new ATOM 0 HA THR A 86 8.508 1.887 8.974 1.00 0.00 H new ATOM 0 HB THR A 86 9.687 4.624 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.189 5.526 8.156 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.353 4.470 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.988 3.106 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.579 2.871 7.046 1.00 0.00 H new ATOM 1299 N GLU A 87 10.171 2.997 11.615 1.00 0.00 N ATOM 1300 CA GLU A 87 11.269 2.691 12.524 1.00 0.00 C ATOM 1301 C GLU A 87 11.219 1.231 12.966 1.00 0.00 C ATOM 1302 O GLU A 87 12.237 0.539 12.975 1.00 0.00 O ATOM 1303 CB GLU A 87 11.217 3.608 13.749 1.00 0.00 C ATOM 1304 CG GLU A 87 11.158 5.086 13.400 1.00 0.00 C ATOM 1305 CD GLU A 87 11.062 5.971 14.628 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.072 5.840 15.377 1.00 0.00 O ATOM 1307 OE2 GLU A 87 11.977 6.794 14.839 1.00 0.00 O ATOM 0 H GLU A 87 9.614 3.808 11.884 1.00 0.00 H new ATOM 0 HA GLU A 87 12.205 2.860 11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.344 3.350 14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.095 3.424 14.368 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.047 5.357 12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.298 5.270 12.756 1.00 0.00 H new ATOM 1314 N ASP A 88 10.028 0.771 13.332 1.00 0.00 N ATOM 1315 CA ASP A 88 9.844 -0.606 13.774 1.00 0.00 C ATOM 1316 C ASP A 88 9.842 -1.563 12.586 1.00 0.00 C ATOM 1317 O ASP A 88 10.302 -2.700 12.692 1.00 0.00 O ATOM 1318 CB ASP A 88 8.536 -0.743 14.556 1.00 0.00 C ATOM 1319 CG ASP A 88 8.598 -1.839 15.602 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.718 -2.184 16.033 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.527 -2.352 15.988 1.00 0.00 O ATOM 0 H ASP A 88 9.176 1.331 13.331 1.00 0.00 H new ATOM 0 HA ASP A 88 10.678 -0.866 14.426 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.305 0.205 15.041 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.722 -0.953 13.862 1.00 0.00 H new ATOM 1326 N MET A 89 9.321 -1.095 11.457 1.00 0.00 N ATOM 1327 CA MET A 89 9.260 -1.910 10.249 1.00 0.00 C ATOM 1328 C MET A 89 10.657 -2.341 9.813 1.00 0.00 C ATOM 1329 O MET A 89 10.871 -3.490 9.426 1.00 0.00 O ATOM 1330 CB MET A 89 8.577 -1.136 9.120 1.00 0.00 C ATOM 1331 CG MET A 89 7.109 -0.844 9.385 1.00 0.00 C ATOM 1332 SD MET A 89 6.275 -0.125 7.957 1.00 0.00 S ATOM 1333 CE MET A 89 5.220 -1.485 7.461 1.00 0.00 C ATOM 0 H MET A 89 8.935 -0.157 11.353 1.00 0.00 H new ATOM 0 HA MET A 89 8.676 -2.803 10.472 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.104 -0.195 8.965 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.664 -1.706 8.195 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.604 -1.768 9.669 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.025 -0.162 10.231 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.340 -1.095 6.949 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.769 -2.145 6.789 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.908 -2.044 8.343 1.00 0.00 H new ATOM 1343 N VAL A 90 11.606 -1.412 9.878 1.00 0.00 N ATOM 1344 CA VAL A 90 12.982 -1.697 9.491 1.00 0.00 C ATOM 1345 C VAL A 90 13.562 -2.836 10.321 1.00 0.00 C ATOM 1346 O VAL A 90 13.827 -3.922 9.804 1.00 0.00 O ATOM 1347 CB VAL A 90 13.878 -0.453 9.649 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.347 -0.849 9.638 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.581 0.559 8.553 1.00 0.00 C ATOM 0 H VAL A 90 11.447 -0.456 10.195 1.00 0.00 H new ATOM 0 HA VAL A 90 12.961 -1.991 8.441 1.00 0.00 H new ATOM 0 HB VAL A 90 13.659 0.012 10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.965 0.042 9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.545 -1.535 10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.585 -1.338 8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.222 1.431 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.771 0.107 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.537 0.865 8.614 1.00 0.00 H new ATOM 1359 N ARG A 91 13.758 -2.581 11.611 1.00 0.00 N ATOM 1360 CA ARG A 91 14.307 -3.586 12.513 1.00 0.00 C ATOM 1361 C ARG A 91 13.526 -4.893 12.413 1.00 0.00 C ATOM 1362 O ARG A 91 14.110 -5.976 12.365 1.00 0.00 O ATOM 1363 CB ARG A 91 14.284 -3.075 13.955 1.00 0.00 C ATOM 1364 CG ARG A 91 12.964 -2.434 14.353 1.00 0.00 C ATOM 1365 CD ARG A 91 12.947 -2.064 15.828 1.00 0.00 C ATOM 1366 NE ARG A 91 13.375 -3.174 16.675 1.00 0.00 N ATOM 1367 CZ ARG A 91 14.646 -3.430 16.965 1.00 0.00 C ATOM 1368 NH1 ARG A 91 15.609 -2.660 16.477 1.00 0.00 N ATOM 1369 NH2 ARG A 91 14.956 -4.459 17.744 1.00 0.00 N ATOM 0 H ARG A 91 13.545 -1.687 12.054 1.00 0.00 H new ATOM 0 HA ARG A 91 15.339 -3.777 12.218 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.493 -3.906 14.629 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.086 -2.348 14.087 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.796 -1.541 13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.145 -3.121 14.140 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.601 -1.208 15.995 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.941 -1.757 16.113 1.00 0.00 H new ATOM 0 HE ARG A 91 12.659 -3.786 17.065 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.375 -1.869 15.877 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.584 -2.859 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.218 -5.054 18.121 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.932 -4.655 17.966 1.00 0.00 H new ATOM 1383 N LEU A 92 12.202 -4.783 12.383 1.00 0.00 N ATOM 1384 CA LEU A 92 11.339 -5.956 12.289 1.00 0.00 C ATOM 1385 C LEU A 92 11.613 -6.732 11.004 1.00 0.00 C ATOM 1386 O LEU A 92 11.425 -6.214 9.903 1.00 0.00 O ATOM 1387 CB LEU A 92 9.869 -5.537 12.342 1.00 0.00 C ATOM 1388 CG LEU A 92 9.358 -5.050 13.699 1.00 0.00 C ATOM 1389 CD1 LEU A 92 8.041 -4.308 13.538 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.200 -6.219 14.660 1.00 0.00 C ATOM 0 H LEU A 92 11.703 -3.894 12.422 1.00 0.00 H new ATOM 0 HA LEU A 92 11.556 -6.606 13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.711 -4.744 11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.259 -6.384 12.029 1.00 0.00 H new ATOM 0 HG LEU A 92 10.091 -4.360 14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.693 -3.969 14.514 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.186 -3.447 12.885 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.299 -4.975 13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.836 -5.854 15.620 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.487 -6.934 14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.164 -6.708 14.800 1.00 0.00 H new ATOM 1402 N ARG A 93 12.055 -7.976 11.154 1.00 0.00 N ATOM 1403 CA ARG A 93 12.353 -8.824 10.006 1.00 0.00 C ATOM 1404 C ARG A 93 11.254 -8.718 8.952 1.00 0.00 C ATOM 1405 O ARG A 93 11.534 -8.652 7.755 1.00 0.00 O ATOM 1406 CB ARG A 93 12.512 -10.280 10.447 1.00 0.00 C ATOM 1407 CG ARG A 93 13.221 -11.152 9.425 1.00 0.00 C ATOM 1408 CD ARG A 93 13.872 -12.361 10.080 1.00 0.00 C ATOM 1409 NE ARG A 93 14.866 -11.974 11.077 1.00 0.00 N ATOM 1410 CZ ARG A 93 15.787 -12.802 11.557 1.00 0.00 C ATOM 1411 NH1 ARG A 93 15.839 -14.058 11.134 1.00 0.00 N ATOM 1412 NH2 ARG A 93 16.657 -12.376 12.463 1.00 0.00 N ATOM 0 H ARG A 93 12.215 -8.419 12.059 1.00 0.00 H new ATOM 0 HA ARG A 93 13.289 -8.481 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.068 -10.308 11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.526 -10.699 10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.507 -11.485 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.980 -10.565 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.105 -12.974 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.346 -12.976 9.315 1.00 0.00 H new ATOM 0 HE ARG A 93 14.852 -11.015 11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.171 -14.390 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.547 -14.692 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.619 -11.411 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 93 17.364 -13.013 12.831 1.00 0.00 H new ATOM 1426 N GLU A 94 10.005 -8.703 9.406 1.00 0.00 N ATOM 1427 CA GLU A 94 8.865 -8.607 8.502 1.00 0.00 C ATOM 1428 C GLU A 94 7.690 -7.908 9.180 1.00 0.00 C ATOM 1429 O GLU A 94 7.448 -8.066 10.376 1.00 0.00 O ATOM 1430 CB GLU A 94 8.441 -9.999 8.030 1.00 0.00 C ATOM 1431 CG GLU A 94 9.563 -10.787 7.374 1.00 0.00 C ATOM 1432 CD GLU A 94 9.224 -12.256 7.208 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.113 -12.558 6.726 1.00 0.00 O ATOM 1434 OE2 GLU A 94 10.072 -13.103 7.559 1.00 0.00 O ATOM 0 H GLU A 94 9.757 -8.756 10.394 1.00 0.00 H new ATOM 0 HA GLU A 94 9.168 -8.015 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.063 -10.563 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.617 -9.899 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.782 -10.356 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.468 -10.692 7.974 1.00 0.00 H new ATOM 1441 N PRO A 95 6.943 -7.115 8.398 1.00 0.00 N ATOM 1442 CA PRO A 95 5.781 -6.376 8.900 1.00 0.00 C ATOM 1443 C PRO A 95 4.616 -7.295 9.250 1.00 0.00 C ATOM 1444 O PRO A 95 4.535 -8.424 8.763 1.00 0.00 O ATOM 1445 CB PRO A 95 5.409 -5.462 7.730 1.00 0.00 C ATOM 1446 CG PRO A 95 5.927 -6.163 6.522 1.00 0.00 C ATOM 1447 CD PRO A 95 7.174 -6.880 6.963 1.00 0.00 C ATOM 0 HA PRO A 95 6.006 -5.840 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.331 -5.315 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.860 -4.476 7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.190 -6.865 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.146 -5.454 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.313 -7.815 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.066 -6.277 6.793 1.00 0.00 H new ATOM 1455 N ASP A 96 3.715 -6.806 10.094 1.00 0.00 N ATOM 1456 CA ASP A 96 2.552 -7.584 10.507 1.00 0.00 C ATOM 1457 C ASP A 96 1.348 -7.271 9.625 1.00 0.00 C ATOM 1458 O ASP A 96 0.825 -6.156 9.644 1.00 0.00 O ATOM 1459 CB ASP A 96 2.215 -7.298 11.972 1.00 0.00 C ATOM 1460 CG ASP A 96 2.930 -8.237 12.924 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.334 -9.335 12.484 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.086 -7.875 14.108 1.00 0.00 O ATOM 0 H ASP A 96 3.767 -5.874 10.506 1.00 0.00 H new ATOM 0 HA ASP A 96 2.795 -8.641 10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.485 -6.269 12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.139 -7.387 12.118 1.00 0.00 H new ATOM 1467 N TRP A 97 0.914 -8.260 8.853 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.229 -8.090 7.963 1.00 0.00 C ATOM 1469 C TRP A 97 -1.345 -7.312 8.651 1.00 0.00 C ATOM 1470 O TRP A 97 -2.020 -6.492 8.028 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.750 -9.452 7.502 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.307 -10.284 8.617 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.683 -11.313 9.262 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.601 -10.157 9.217 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.511 -11.834 10.227 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.693 -11.142 10.220 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.689 -9.306 9.007 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.831 -11.298 11.007 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.817 -9.462 9.789 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.881 -10.451 10.780 1.00 0.00 C ATOM 0 H TRP A 97 1.336 -9.188 8.825 1.00 0.00 H new ATOM 0 HA TRP A 97 0.102 -7.522 7.094 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.524 -9.301 6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.061 -9.999 7.020 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.315 -11.666 9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.282 -12.610 10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.649 -8.540 8.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.883 -12.061 11.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.664 -8.811 9.634 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.777 -10.546 11.376 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.533 -7.572 9.941 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.566 -6.895 10.715 1.00 0.00 C ATOM 1493 C LYS A 98 -2.537 -5.391 10.464 1.00 0.00 C ATOM 1494 O LYS A 98 -3.525 -4.807 10.017 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.381 -7.177 12.208 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.444 -8.653 12.561 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.850 -8.863 14.010 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.309 -10.292 14.258 1.00 0.00 C ATOM 1499 NZ LYS A 98 -3.277 -10.641 15.706 1.00 0.00 N ATOM 0 H LYS A 98 -0.983 -8.247 10.472 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.534 -7.280 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.419 -6.776 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.150 -6.645 12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.157 -9.155 11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.471 -9.112 12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.008 -8.632 14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.652 -8.172 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.322 -10.420 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.670 -10.980 13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.597 -11.622 15.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.306 -10.544 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.906 -10.001 16.231 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.399 -4.770 10.753 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.241 -3.333 10.557 1.00 0.00 C ATOM 1515 C CYS A 99 -1.118 -2.996 9.074 1.00 0.00 C ATOM 1516 O CYS A 99 -1.723 -2.039 8.592 1.00 0.00 O ATOM 1517 CB CYS A 99 -0.010 -2.827 11.311 1.00 0.00 C ATOM 1518 SG CYS A 99 1.556 -3.493 10.699 1.00 0.00 S ATOM 0 H CYS A 99 -0.572 -5.239 11.124 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.129 -2.838 10.951 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.020 -1.739 11.247 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.113 -3.081 12.366 1.00 0.00 H new ATOM 0 HG CYS A 99 1.381 -4.719 10.302 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.330 -3.789 8.356 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.127 -3.576 6.928 1.00 0.00 C ATOM 1526 C VAL A 100 -1.456 -3.380 6.207 1.00 0.00 C ATOM 1527 O VAL A 100 -1.704 -2.329 5.615 1.00 0.00 O ATOM 1528 CB VAL A 100 0.625 -4.756 6.285 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.802 -4.527 4.792 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.970 -4.965 6.964 1.00 0.00 C ATOM 0 H VAL A 100 0.179 -4.585 8.740 1.00 0.00 H new ATOM 0 HA VAL A 100 0.475 -2.673 6.826 1.00 0.00 H new ATOM 0 HB VAL A 100 0.031 -5.660 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.335 -5.371 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.176 -4.432 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.374 -3.613 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.487 -5.803 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.573 -4.063 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.814 -5.179 8.021 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.307 -4.398 6.262 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.612 -4.339 5.613 1.00 0.00 C ATOM 1542 C TYR A 101 -4.334 -3.040 5.957 1.00 0.00 C ATOM 1543 O TYR A 101 -4.895 -2.376 5.085 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.467 -5.537 6.030 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.951 -5.314 5.848 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.668 -4.519 6.733 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.636 -5.898 4.789 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.024 -4.313 6.571 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.992 -5.697 4.619 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.682 -4.904 5.512 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.033 -4.701 5.346 1.00 0.00 O ATOM 0 H TYR A 101 -2.117 -5.274 6.749 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.455 -4.371 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.165 -6.408 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.268 -5.768 7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.156 -4.054 7.562 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.099 -6.519 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.566 -3.693 7.269 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.509 -6.159 3.791 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.342 -5.186 4.552 1.00 0.00 H new ATOM 1561 N THR A 102 -4.315 -2.682 7.238 1.00 0.00 N ATOM 1562 CA THR A 102 -4.968 -1.463 7.700 1.00 0.00 C ATOM 1563 C THR A 102 -4.624 -0.281 6.801 1.00 0.00 C ATOM 1564 O THR A 102 -5.507 0.325 6.192 1.00 0.00 O ATOM 1565 CB THR A 102 -4.566 -1.126 9.148 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.784 -2.261 9.994 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.363 0.061 9.668 1.00 0.00 C ATOM 0 H THR A 102 -3.855 -3.219 7.973 1.00 0.00 H new ATOM 0 HA THR A 102 -6.042 -1.645 7.661 1.00 0.00 H new ATOM 0 HB THR A 102 -3.508 -0.865 9.157 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.078 -2.923 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.062 0.281 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.172 0.931 9.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.426 -0.177 9.645 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.338 0.042 6.722 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.879 1.154 5.898 1.00 0.00 C ATOM 1577 C TYR A 103 -3.488 1.085 4.501 1.00 0.00 C ATOM 1578 O TYR A 103 -4.033 2.069 4.000 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.353 1.148 5.801 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.796 2.263 4.945 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.597 2.085 3.582 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.467 3.494 5.500 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.088 3.101 2.795 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.042 4.515 4.721 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.229 4.314 3.370 1.00 0.00 C ATOM 1586 OH TYR A 103 0.737 5.328 2.591 1.00 0.00 O ATOM 0 H TYR A 103 -2.595 -0.450 7.218 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.203 2.081 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.933 1.227 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.027 0.191 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.844 1.136 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.612 3.655 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.061 2.946 1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.292 5.466 5.168 1.00 0.00 H new ATOM 0 HH TYR A 103 0.906 6.116 3.149 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.392 -0.085 3.878 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.935 -0.284 2.540 1.00 0.00 C ATOM 1598 C ILE A 104 -5.406 0.111 2.479 1.00 0.00 C ATOM 1599 O ILE A 104 -5.848 0.746 1.522 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.789 -1.749 2.086 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.324 -2.183 2.151 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.337 -1.923 0.677 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.456 -1.545 1.088 1.00 0.00 C ATOM 0 H ILE A 104 -2.943 -0.909 4.278 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.362 0.355 1.868 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.365 -2.382 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.923 -1.934 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.270 -3.267 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.227 -2.963 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.392 -1.649 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.785 -1.281 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.431 -1.899 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.832 -1.815 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.480 -0.461 1.201 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.158 -0.267 3.507 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.580 0.050 3.570 1.00 0.00 C ATOM 1617 C GLN A 105 -7.796 1.546 3.774 1.00 0.00 C ATOM 1618 O GLN A 105 -8.635 2.156 3.112 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.249 -0.732 4.702 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.729 -0.426 4.862 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.439 -1.426 5.752 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -9.998 -1.705 6.868 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.546 -1.973 5.263 1.00 0.00 N ATOM 0 H GLN A 105 -5.807 -0.793 4.307 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.033 -0.238 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.125 -1.799 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.737 -0.509 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.846 0.574 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.203 -0.419 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.876 -1.713 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.067 -2.653 5.817 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.033 2.129 4.693 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.143 3.554 4.983 1.00 0.00 C ATOM 1634 C GLU A 106 -6.944 4.384 3.718 1.00 0.00 C ATOM 1635 O GLU A 106 -7.798 5.191 3.351 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.115 3.962 6.041 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.312 5.374 6.568 1.00 0.00 C ATOM 1638 CD GLU A 106 -6.465 6.395 5.458 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -5.598 6.430 4.560 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.453 7.159 5.487 1.00 0.00 O ATOM 0 H GLU A 106 -6.333 1.638 5.249 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.145 3.744 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.166 3.262 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.115 3.878 5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.196 5.400 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.461 5.647 7.193 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.810 4.180 3.056 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.496 4.910 1.833 1.00 0.00 C ATOM 1649 C PHE A 107 -6.624 4.774 0.815 1.00 0.00 C ATOM 1650 O PHE A 107 -7.229 5.765 0.405 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.185 4.400 1.231 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.489 5.411 0.366 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.271 6.701 0.824 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.054 5.073 -0.905 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.630 7.634 0.031 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.412 6.001 -1.702 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.201 7.284 -1.235 1.00 0.00 C ATOM 0 H PHE A 107 -5.093 3.515 3.346 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.384 5.964 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.516 4.102 2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.389 3.507 0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.606 6.980 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.219 4.073 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.465 8.635 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.075 5.724 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.702 8.012 -1.858 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.901 3.539 0.409 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.953 3.272 -0.564 1.00 0.00 C ATOM 1669 C TYR A 108 -9.181 4.137 -0.290 1.00 0.00 C ATOM 1670 O TYR A 108 -9.715 4.780 -1.193 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.341 1.793 -0.534 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.535 1.463 -1.400 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.830 1.604 -0.916 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -9.369 1.010 -2.703 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.924 1.302 -1.704 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -10.458 0.707 -3.499 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.733 0.855 -2.994 1.00 0.00 C ATOM 1678 OH TYR A 108 -12.820 0.555 -3.782 1.00 0.00 O ATOM 0 H TYR A 108 -6.411 2.707 0.739 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.569 3.520 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.490 1.196 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.557 1.504 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.984 1.956 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.372 0.893 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.924 1.416 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.311 0.357 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.513 0.255 -4.663 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.621 4.146 0.964 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.786 4.930 1.359 1.00 0.00 C ATOM 1690 C ARG A 109 -10.643 6.380 0.905 1.00 0.00 C ATOM 1691 O ARG A 109 -11.608 6.996 0.449 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.974 4.875 2.876 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.127 5.728 3.378 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.451 5.427 4.833 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.428 4.350 4.965 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.598 3.643 6.077 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.859 3.899 7.147 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.508 2.679 6.119 1.00 0.00 N ATOM 0 H ARG A 109 -9.189 3.620 1.724 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.664 4.500 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.141 3.840 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.054 5.202 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.874 6.783 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.009 5.548 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.536 5.153 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.837 6.327 5.312 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.012 4.128 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.158 4.640 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.991 3.355 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.078 2.480 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.638 2.137 6.973 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.436 6.919 1.035 1.00 0.00 N ATOM 1713 CA CYS A 110 -9.168 8.298 0.640 1.00 0.00 C ATOM 1714 C CYS A 110 -9.180 8.440 -0.879 1.00 0.00 C ATOM 1715 O CYS A 110 -9.879 9.293 -1.427 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.820 8.756 1.197 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.806 9.001 2.988 1.00 0.00 S ATOM 0 H CYS A 110 -8.628 6.423 1.411 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.956 8.929 1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.062 8.018 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.537 9.690 0.711 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.596 7.863 3.580 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.401 7.601 -1.552 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.320 7.634 -3.009 1.00 0.00 C ATOM 1725 C LEU A 111 -9.711 7.713 -3.630 1.00 0.00 C ATOM 1726 O LEU A 111 -10.007 8.627 -4.400 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.588 6.395 -3.527 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.216 6.119 -2.909 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.774 4.695 -3.207 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.189 7.117 -3.423 1.00 0.00 C ATOM 0 H LEU A 111 -7.816 6.890 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.762 8.525 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.222 5.525 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.465 6.494 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.295 6.234 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.796 4.516 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.497 3.995 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.711 4.552 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.219 6.905 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.112 7.034 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.499 8.128 -3.158 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.562 6.751 -3.287 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.923 6.714 -3.809 1.00 0.00 C ATOM 1744 C VAL A 112 -12.567 8.095 -3.764 1.00 0.00 C ATOM 1745 O VAL A 112 -13.176 8.538 -4.737 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.800 5.725 -3.017 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.243 5.793 -3.493 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.254 4.311 -3.144 1.00 0.00 C ATOM 0 H VAL A 112 -10.333 5.988 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.856 6.381 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.776 6.006 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.848 5.088 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.627 6.802 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.289 5.537 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.885 3.625 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.247 4.017 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.238 4.277 -2.751 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.427 8.770 -2.628 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.996 10.102 -2.457 1.00 0.00 C ATOM 1760 C GLN A 113 -12.266 11.121 -3.325 1.00 0.00 C ATOM 1761 O GLN A 113 -12.887 11.999 -3.925 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.928 10.524 -0.988 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.627 9.558 -0.044 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.479 9.955 1.411 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.625 9.429 2.126 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.312 10.887 1.859 1.00 0.00 N ATOM 0 H GLN A 113 -11.925 8.417 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.040 10.067 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.883 10.615 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -13.376 11.512 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.686 9.510 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.219 8.557 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.004 11.296 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.259 11.194 2.830 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.945 11.000 -3.387 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.129 11.909 -4.183 1.00 0.00 C ATOM 1777 C LYS A 114 -10.552 11.880 -5.648 1.00 0.00 C ATOM 1778 O LYS A 114 -10.536 12.904 -6.330 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.649 11.539 -4.061 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.970 12.140 -2.842 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.777 13.640 -2.993 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.562 13.961 -3.849 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.896 13.985 -5.300 1.00 0.00 N ATOM 0 H LYS A 114 -10.416 10.280 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.277 12.919 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.557 10.454 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.125 11.870 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.569 11.937 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.003 11.661 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.667 14.079 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.661 14.094 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.155 14.928 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.784 13.219 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.577 13.101 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.925 14.080 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.420 14.791 -5.753 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.931 10.698 -6.126 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.355 10.558 -7.507 1.00 0.00 C ATOM 1799 C GLY A 115 -10.351 9.793 -8.346 1.00 0.00 C ATOM 1800 O GLY A 115 -10.198 10.057 -9.540 1.00 0.00 O ATOM 0 H GLY A 115 -10.952 9.836 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.316 10.045 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.507 11.547 -7.939 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.663 8.843 -7.723 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.666 8.037 -8.419 1.00 0.00 C ATOM 1806 C LEU A 116 -9.190 6.629 -8.681 1.00 0.00 C ATOM 1807 O LEU A 116 -9.031 6.089 -9.776 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.374 7.970 -7.603 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.493 9.219 -7.636 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.511 9.210 -6.475 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.753 9.314 -8.962 1.00 0.00 C ATOM 0 H LEU A 116 -9.777 8.612 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.457 8.511 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.634 7.761 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.785 7.125 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.134 10.095 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.892 10.107 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.060 9.190 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.875 8.327 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.131 10.209 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.124 8.433 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.474 9.368 -9.778 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.818 6.039 -7.669 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.369 4.695 -7.790 1.00 0.00 C ATOM 1825 C VAL A 117 -11.875 4.695 -7.554 1.00 0.00 C ATOM 1826 O VAL A 117 -12.339 4.889 -6.430 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.705 3.724 -6.795 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.338 2.345 -6.891 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.206 3.650 -7.044 1.00 0.00 C ATOM 0 H VAL A 117 -9.958 6.471 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.163 4.359 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.865 4.101 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.856 1.673 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.401 2.416 -6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.212 1.956 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.753 2.960 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.023 3.297 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.767 4.640 -6.919 1.00 0.00 H new