USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.13) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 160:sc= -6.35! (180deg=-4.06!) USER MOD Set 2.2: A 94 ASN : amide:sc= -1.92 K(o=-8.3,f=-6.1!) USER MOD Set 3.1: A 47 SER OG : rot -118:sc= -3.8! USER MOD Set 3.2: A 56 HIS : no HD1:sc= -0.931! C(o=-4.7!,f=-21!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -7.17! C(o=-14!,f=-21!) USER MOD Set 4.2: A 86 GLN : amide:sc= -6.85! C(o=-14!,f=-5.7!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.19) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 30:sc= -3.74! USER MOD Single : A 12 ASN : amide:sc= -4.03! C(o=-4!,f=-14!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 80:sc= -1.4 USER MOD Single : A 17 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.76) USER MOD Single : A 19 ASN : amide:sc= -0.881 K(o=-0.88,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -3.41 (180deg=-4.9!) USER MOD Single : A 23 ASN : amide:sc= -0.741 K(o=-0.74,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.132 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 34:sc= -0.404 USER MOD Single : A 57 CYS SG : rot 160:sc= -0.235 USER MOD Single : A 60 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.024) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=-0.25) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 96 SER OG : rot -45:sc= 1.19 USER MOD Single : A 100 THR OG1 : rot 130:sc= 0.684 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.931 -0.269 -15.062 1.00 0.00 N ATOM 31 CA LEU A 3 92.033 -0.168 -13.576 1.00 0.00 C ATOM 32 C LEU A 3 90.909 -0.994 -12.925 1.00 0.00 C ATOM 33 O LEU A 3 89.748 -0.800 -13.227 1.00 0.00 O ATOM 34 CB LEU A 3 91.876 1.299 -13.155 1.00 0.00 C ATOM 35 CG LEU A 3 93.055 2.121 -13.681 1.00 0.00 C ATOM 36 CD1 LEU A 3 92.653 2.815 -14.985 1.00 0.00 C ATOM 37 CD2 LEU A 3 93.449 3.174 -12.639 1.00 0.00 C ATOM 0 HA LEU A 3 93.003 -0.547 -13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 3 90.940 1.700 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.827 1.371 -12.069 1.00 0.00 H new ATOM 0 HG LEU A 3 93.903 1.462 -13.869 1.00 0.00 H new ATOM 0 HD11 LEU A 3 93.493 3.400 -15.359 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.375 2.065 -15.725 1.00 0.00 H new ATOM 0 HD13 LEU A 3 91.805 3.474 -14.800 1.00 0.00 H new ATOM 0 HD21 LEU A 3 94.289 3.760 -13.013 1.00 0.00 H new ATOM 0 HD22 LEU A 3 92.602 3.834 -12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 3 93.737 2.678 -11.712 1.00 0.00 H new ATOM 49 N PRO A 4 91.240 -1.896 -12.023 1.00 0.00 N ATOM 50 CA PRO A 4 90.218 -2.730 -11.320 1.00 0.00 C ATOM 51 C PRO A 4 89.159 -1.867 -10.641 1.00 0.00 C ATOM 52 O PRO A 4 88.138 -2.348 -10.189 1.00 0.00 O ATOM 53 CB PRO A 4 91.010 -3.485 -10.251 1.00 0.00 C ATOM 54 CG PRO A 4 92.438 -3.444 -10.680 1.00 0.00 C ATOM 55 CD PRO A 4 92.607 -2.220 -11.579 1.00 0.00 C ATOM 0 HA PRO A 4 89.693 -3.382 -12.017 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.884 -3.020 -9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.660 -4.514 -10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.098 -3.379 -9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.704 -4.355 -11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.056 -1.388 -11.036 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.258 -2.436 -12.426 1.00 0.00 H new ATOM 63 N HIS A 5 89.405 -0.593 -10.550 1.00 0.00 N ATOM 64 CA HIS A 5 88.424 0.300 -9.883 1.00 0.00 C ATOM 65 C HIS A 5 87.132 0.328 -10.695 1.00 0.00 C ATOM 66 O HIS A 5 86.054 0.461 -10.154 1.00 0.00 O ATOM 67 CB HIS A 5 89.003 1.708 -9.780 1.00 0.00 C ATOM 68 CG HIS A 5 90.197 1.683 -8.875 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.125 1.205 -7.577 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.501 2.063 -9.064 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.353 1.308 -7.040 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.228 1.824 -7.903 1.00 0.00 N ATOM 0 H HIS A 5 90.242 -0.132 -10.908 1.00 0.00 H new ATOM 0 HA HIS A 5 88.212 -0.073 -8.881 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.288 2.071 -10.768 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.252 2.396 -9.392 1.00 0.00 H new ATOM 0 HD1 HIS A 5 89.292 0.841 -7.113 1.00 0.00 H new ATOM 0 HD2 HIS A 5 91.902 2.483 -9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.600 1.009 -6.032 1.00 0.00 H new ATOM 80 N HIS A 6 87.231 0.191 -11.992 1.00 0.00 N ATOM 81 CA HIS A 6 86.001 0.198 -12.838 1.00 0.00 C ATOM 82 C HIS A 6 85.109 -0.979 -12.440 1.00 0.00 C ATOM 83 O HIS A 6 83.920 -0.977 -12.683 1.00 0.00 O ATOM 84 CB HIS A 6 86.377 0.080 -14.320 1.00 0.00 C ATOM 85 CG HIS A 6 87.031 1.354 -14.779 1.00 0.00 C ATOM 86 ND1 HIS A 6 86.427 2.593 -14.627 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.234 1.597 -15.391 1.00 0.00 C ATOM 88 CE1 HIS A 6 87.263 3.516 -15.135 1.00 0.00 C ATOM 89 NE2 HIS A 6 88.380 2.963 -15.614 1.00 0.00 N ATOM 0 H HIS A 6 88.108 0.075 -12.500 1.00 0.00 H new ATOM 0 HA HIS A 6 85.466 1.135 -12.684 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.054 -0.761 -14.468 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.487 -0.119 -14.917 1.00 0.00 H new ATOM 0 HD2 HIS A 6 88.959 0.842 -15.659 1.00 0.00 H new ATOM 0 HE1 HIS A 6 87.056 4.576 -15.153 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.170 3.439 -16.049 1.00 0.00 H new ATOM 97 N ASP A 7 85.676 -1.987 -11.834 1.00 0.00 N ATOM 98 CA ASP A 7 84.862 -3.163 -11.423 1.00 0.00 C ATOM 99 C ASP A 7 84.345 -2.952 -9.993 1.00 0.00 C ATOM 100 O ASP A 7 85.106 -2.902 -9.054 1.00 0.00 O ATOM 101 CB ASP A 7 85.736 -4.421 -11.475 1.00 0.00 C ATOM 102 CG ASP A 7 86.095 -4.744 -12.930 1.00 0.00 C ATOM 103 OD1 ASP A 7 85.208 -4.698 -13.763 1.00 0.00 O ATOM 104 OD2 ASP A 7 87.255 -5.030 -13.183 1.00 0.00 O ATOM 0 H ASP A 7 86.669 -2.045 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 7 84.014 -3.279 -12.098 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.644 -4.268 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.207 -5.262 -11.026 1.00 0.00 H new ATOM 109 N GLU A 8 83.056 -2.828 -9.822 1.00 0.00 N ATOM 110 CA GLU A 8 82.493 -2.617 -8.458 1.00 0.00 C ATOM 111 C GLU A 8 82.705 -3.870 -7.608 1.00 0.00 C ATOM 112 O GLU A 8 82.973 -3.797 -6.427 1.00 0.00 O ATOM 113 CB GLU A 8 80.994 -2.321 -8.577 1.00 0.00 C ATOM 114 CG GLU A 8 80.453 -1.875 -7.221 1.00 0.00 C ATOM 115 CD GLU A 8 79.210 -1.005 -7.424 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.830 -0.808 -8.565 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.666 -0.544 -6.434 1.00 0.00 O ATOM 0 H GLU A 8 82.366 -2.864 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 8 82.998 -1.777 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.824 -1.543 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.463 -3.210 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.205 -2.745 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.216 -1.316 -6.680 1.00 0.00 H new ATOM 124 N LYS A 9 82.574 -5.014 -8.203 1.00 0.00 N ATOM 125 CA LYS A 9 82.747 -6.279 -7.442 1.00 0.00 C ATOM 126 C LYS A 9 84.175 -6.393 -6.902 1.00 0.00 C ATOM 127 O LYS A 9 84.411 -7.023 -5.892 1.00 0.00 O ATOM 128 CB LYS A 9 82.484 -7.448 -8.380 1.00 0.00 C ATOM 129 CG LYS A 9 83.681 -7.598 -9.328 1.00 0.00 C ATOM 130 CD LYS A 9 83.224 -8.144 -10.684 1.00 0.00 C ATOM 131 CE LYS A 9 83.546 -7.128 -11.779 1.00 0.00 C ATOM 132 NZ LYS A 9 82.802 -7.495 -13.014 1.00 0.00 N ATOM 0 H LYS A 9 82.353 -5.131 -9.192 1.00 0.00 H new ATOM 0 HA LYS A 9 82.051 -6.288 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.337 -8.365 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.570 -7.277 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.169 -6.633 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.419 -8.269 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.723 -9.090 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.153 -8.346 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 9 83.267 -6.125 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 9 84.618 -7.113 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 83.016 -6.808 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 83.089 -8.446 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 81.780 -7.488 -12.819 1.00 0.00 H new ATOM 146 N THR A 10 85.132 -5.811 -7.574 1.00 0.00 N ATOM 147 CA THR A 10 86.544 -5.916 -7.105 1.00 0.00 C ATOM 148 C THR A 10 86.684 -5.327 -5.690 1.00 0.00 C ATOM 149 O THR A 10 87.446 -5.816 -4.876 1.00 0.00 O ATOM 150 CB THR A 10 87.472 -5.207 -8.108 1.00 0.00 C ATOM 151 OG1 THR A 10 86.913 -3.963 -8.496 1.00 0.00 O ATOM 152 CG2 THR A 10 87.652 -6.097 -9.342 1.00 0.00 C ATOM 0 H THR A 10 84.997 -5.268 -8.427 1.00 0.00 H new ATOM 0 HA THR A 10 86.834 -6.965 -7.051 1.00 0.00 H new ATOM 0 HB THR A 10 88.439 -5.027 -7.638 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.370 -3.606 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.308 -5.600 -10.056 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.094 -7.048 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.682 -6.277 -9.805 1.00 0.00 H new ATOM 160 N TRP A 11 85.953 -4.295 -5.381 1.00 0.00 N ATOM 161 CA TRP A 11 86.049 -3.696 -4.015 1.00 0.00 C ATOM 162 C TRP A 11 84.662 -3.644 -3.363 1.00 0.00 C ATOM 163 O TRP A 11 84.524 -3.282 -2.214 1.00 0.00 O ATOM 164 CB TRP A 11 86.604 -2.281 -4.140 1.00 0.00 C ATOM 165 CG TRP A 11 86.211 -1.753 -5.473 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.751 -2.147 -6.644 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.202 -0.761 -5.797 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.124 -1.473 -7.674 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.164 -0.598 -7.202 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.324 0.005 -5.014 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.276 0.291 -7.809 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.433 0.903 -5.618 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.410 1.047 -7.013 1.00 0.00 C ATOM 0 H TRP A 11 85.293 -3.838 -6.011 1.00 0.00 H new ATOM 0 HA TRP A 11 86.706 -4.306 -3.395 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.211 -1.645 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.689 -2.286 -4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.544 -2.871 -6.758 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.343 -1.605 -8.662 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.335 -0.098 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.258 0.394 -8.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.761 1.487 -5.006 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.723 1.742 -7.473 1.00 0.00 H new ATOM 184 N ASN A 12 83.632 -3.995 -4.086 1.00 0.00 N ATOM 185 CA ASN A 12 82.258 -3.952 -3.498 1.00 0.00 C ATOM 186 C ASN A 12 81.851 -5.334 -2.992 1.00 0.00 C ATOM 187 O ASN A 12 81.934 -6.315 -3.704 1.00 0.00 O ATOM 188 CB ASN A 12 81.264 -3.494 -4.562 1.00 0.00 C ATOM 189 CG ASN A 12 79.900 -3.213 -3.925 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.547 -3.801 -2.919 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.111 -2.334 -4.480 1.00 0.00 N ATOM 0 H ASN A 12 83.680 -4.309 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 12 82.257 -3.253 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.636 -2.595 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.164 -4.260 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.197 -2.139 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.408 -1.842 -5.323 1.00 0.00 H new ATOM 198 N VAL A 13 81.396 -5.417 -1.773 1.00 0.00 N ATOM 199 CA VAL A 13 80.969 -6.737 -1.232 1.00 0.00 C ATOM 200 C VAL A 13 79.441 -6.782 -1.139 1.00 0.00 C ATOM 201 O VAL A 13 78.858 -7.825 -0.922 1.00 0.00 O ATOM 202 CB VAL A 13 81.540 -6.936 0.169 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.013 -8.254 0.740 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.066 -6.974 0.113 1.00 0.00 C ATOM 0 H VAL A 13 81.302 -4.631 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 13 81.332 -7.521 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 13 81.233 -6.107 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.416 -8.404 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 13 79.925 -8.220 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.322 -9.078 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.464 -7.116 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.386 -7.798 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.439 -6.034 -0.295 1.00 0.00 H new ATOM 214 N GLY A 14 78.788 -5.662 -1.289 1.00 0.00 N ATOM 215 CA GLY A 14 77.299 -5.651 -1.191 1.00 0.00 C ATOM 216 C GLY A 14 76.890 -5.843 0.271 1.00 0.00 C ATOM 217 O GLY A 14 77.632 -5.518 1.178 1.00 0.00 O ATOM 0 H GLY A 14 79.219 -4.756 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 14 76.904 -4.709 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 14 76.876 -6.445 -1.807 1.00 0.00 H new ATOM 221 N SER A 15 75.717 -6.365 0.514 1.00 0.00 N ATOM 222 CA SER A 15 75.277 -6.567 1.924 1.00 0.00 C ATOM 223 C SER A 15 76.125 -7.661 2.575 1.00 0.00 C ATOM 224 O SER A 15 76.494 -8.634 1.949 1.00 0.00 O ATOM 225 CB SER A 15 73.799 -6.967 1.952 1.00 0.00 C ATOM 226 OG SER A 15 73.630 -8.199 1.265 1.00 0.00 O ATOM 0 H SER A 15 75.049 -6.658 -0.198 1.00 0.00 H new ATOM 0 HA SER A 15 75.405 -5.637 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.456 -7.063 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.192 -6.191 1.485 1.00 0.00 H new ATOM 0 HG SER A 15 72.685 -8.457 1.284 1.00 0.00 H new ATOM 232 N SER A 16 76.438 -7.502 3.833 1.00 0.00 N ATOM 233 CA SER A 16 77.265 -8.522 4.537 1.00 0.00 C ATOM 234 C SER A 16 77.042 -8.418 6.047 1.00 0.00 C ATOM 235 O SER A 16 76.693 -7.375 6.567 1.00 0.00 O ATOM 236 CB SER A 16 78.743 -8.276 4.227 1.00 0.00 C ATOM 237 OG SER A 16 79.093 -6.961 4.638 1.00 0.00 O ATOM 0 H SER A 16 76.155 -6.706 4.405 1.00 0.00 H new ATOM 0 HA SER A 16 76.976 -9.517 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.362 -9.009 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 16 78.929 -8.398 3.160 1.00 0.00 H new ATOM 0 HG SER A 16 79.247 -6.951 5.606 1.00 0.00 H new ATOM 243 N ASN A 17 77.262 -9.494 6.756 1.00 0.00 N ATOM 244 CA ASN A 17 77.086 -9.470 8.235 1.00 0.00 C ATOM 245 C ASN A 17 78.403 -9.052 8.874 1.00 0.00 C ATOM 246 O ASN A 17 78.648 -9.298 10.038 1.00 0.00 O ATOM 247 CB ASN A 17 76.703 -10.864 8.738 1.00 0.00 C ATOM 248 CG ASN A 17 76.324 -10.783 10.219 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.524 -9.955 10.608 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.868 -11.613 11.069 1.00 0.00 N ATOM 0 H ASN A 17 77.557 -10.391 6.371 1.00 0.00 H new ATOM 0 HA ASN A 17 76.296 -8.767 8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 17 75.867 -11.255 8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.536 -11.554 8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 17 76.621 -11.565 12.058 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.540 -12.309 10.744 1.00 0.00 H new ATOM 257 N ARG A 18 79.261 -8.430 8.117 1.00 0.00 N ATOM 258 CA ARG A 18 80.567 -7.998 8.674 1.00 0.00 C ATOM 259 C ARG A 18 81.332 -9.215 9.207 1.00 0.00 C ATOM 260 O ARG A 18 82.511 -9.137 9.486 1.00 0.00 O ATOM 261 CB ARG A 18 80.327 -7.002 9.811 1.00 0.00 C ATOM 262 CG ARG A 18 80.026 -5.620 9.230 1.00 0.00 C ATOM 263 CD ARG A 18 79.287 -4.778 10.268 1.00 0.00 C ATOM 264 NE ARG A 18 79.941 -3.436 10.376 1.00 0.00 N ATOM 265 CZ ARG A 18 81.224 -3.338 10.582 1.00 0.00 C ATOM 266 NH1 ARG A 18 81.934 -4.409 10.792 1.00 0.00 N ATOM 267 NH2 ARG A 18 81.799 -2.167 10.597 1.00 0.00 N ATOM 0 H ARG A 18 79.112 -8.202 7.134 1.00 0.00 H new ATOM 0 HA ARG A 18 81.156 -7.522 7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.495 -7.336 10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.204 -6.953 10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.954 -5.126 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.421 -5.717 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 18 78.241 -4.663 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.300 -5.280 11.235 1.00 0.00 H new ATOM 0 HE ARG A 18 79.377 -2.591 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.486 -5.325 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 18 82.938 -4.332 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 18 81.244 -1.324 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 18 82.803 -2.094 10.759 1.00 0.00 H new ATOM 281 N ASN A 19 80.688 -10.344 9.347 1.00 0.00 N ATOM 282 CA ASN A 19 81.420 -11.536 9.857 1.00 0.00 C ATOM 283 C ASN A 19 82.443 -11.961 8.805 1.00 0.00 C ATOM 284 O ASN A 19 83.600 -12.199 9.098 1.00 0.00 O ATOM 285 CB ASN A 19 80.430 -12.673 10.115 1.00 0.00 C ATOM 286 CG ASN A 19 81.162 -13.846 10.771 1.00 0.00 C ATOM 287 OD1 ASN A 19 82.365 -13.961 10.663 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.482 -14.728 11.456 1.00 0.00 N ATOM 0 H ASN A 19 79.701 -10.490 9.133 1.00 0.00 H new ATOM 0 HA ASN A 19 81.928 -11.297 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.623 -12.327 10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 19 79.974 -12.993 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 19 80.963 -15.511 11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.471 -14.633 11.548 1.00 0.00 H new ATOM 295 N LYS A 20 82.025 -12.032 7.574 1.00 0.00 N ATOM 296 CA LYS A 20 82.963 -12.411 6.489 1.00 0.00 C ATOM 297 C LYS A 20 84.021 -11.321 6.360 1.00 0.00 C ATOM 298 O LYS A 20 85.136 -11.565 5.939 1.00 0.00 O ATOM 299 CB LYS A 20 82.193 -12.508 5.175 1.00 0.00 C ATOM 300 CG LYS A 20 81.774 -11.099 4.751 1.00 0.00 C ATOM 301 CD LYS A 20 80.754 -11.174 3.610 1.00 0.00 C ATOM 302 CE LYS A 20 79.499 -11.910 4.085 1.00 0.00 C ATOM 303 NZ LYS A 20 79.315 -11.682 5.545 1.00 0.00 N ATOM 0 H LYS A 20 81.069 -11.843 7.273 1.00 0.00 H new ATOM 0 HA LYS A 20 83.431 -13.369 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 82.814 -12.966 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.316 -13.143 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.343 -10.568 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.648 -10.532 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.493 -10.170 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.189 -11.691 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 78.626 -11.554 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 20 79.590 -12.977 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 78.316 -11.827 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.906 -12.351 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.594 -10.709 5.782 1.00 0.00 H new ATOM 317 N ALA A 21 83.680 -10.115 6.722 1.00 0.00 N ATOM 318 CA ALA A 21 84.667 -9.014 6.620 1.00 0.00 C ATOM 319 C ALA A 21 85.900 -9.389 7.441 1.00 0.00 C ATOM 320 O ALA A 21 87.016 -9.230 6.998 1.00 0.00 O ATOM 321 CB ALA A 21 84.047 -7.716 7.147 1.00 0.00 C ATOM 0 H ALA A 21 82.763 -9.849 7.082 1.00 0.00 H new ATOM 0 HA ALA A 21 84.956 -8.860 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.775 -6.908 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.166 -7.467 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.759 -7.848 8.190 1.00 0.00 H new ATOM 327 N GLU A 22 85.712 -9.910 8.625 1.00 0.00 N ATOM 328 CA GLU A 22 86.891 -10.314 9.442 1.00 0.00 C ATOM 329 C GLU A 22 87.659 -11.393 8.673 1.00 0.00 C ATOM 330 O GLU A 22 88.868 -11.352 8.557 1.00 0.00 O ATOM 331 CB GLU A 22 86.419 -10.882 10.783 1.00 0.00 C ATOM 332 CG GLU A 22 85.818 -9.763 11.641 1.00 0.00 C ATOM 333 CD GLU A 22 86.813 -8.608 11.775 1.00 0.00 C ATOM 334 OE1 GLU A 22 87.907 -8.845 12.260 1.00 0.00 O ATOM 335 OE2 GLU A 22 86.463 -7.503 11.391 1.00 0.00 O ATOM 0 H GLU A 22 84.802 -10.072 9.057 1.00 0.00 H new ATOM 0 HA GLU A 22 87.532 -9.452 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.677 -11.663 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.256 -11.344 11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.893 -9.405 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.562 -10.149 12.628 1.00 0.00 H new ATOM 342 N ASN A 23 86.953 -12.351 8.126 1.00 0.00 N ATOM 343 CA ASN A 23 87.615 -13.424 7.338 1.00 0.00 C ATOM 344 C ASN A 23 88.272 -12.784 6.119 1.00 0.00 C ATOM 345 O ASN A 23 89.413 -13.054 5.796 1.00 0.00 O ATOM 346 CB ASN A 23 86.565 -14.436 6.878 1.00 0.00 C ATOM 347 CG ASN A 23 86.047 -15.214 8.088 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.735 -16.062 8.619 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.857 -14.953 8.559 1.00 0.00 N ATOM 0 H ASN A 23 85.939 -12.432 8.195 1.00 0.00 H new ATOM 0 HA ASN A 23 88.362 -13.935 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.741 -13.922 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.999 -15.121 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.507 -15.461 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.277 -14.241 8.114 1.00 0.00 H new ATOM 356 N LEU A 24 87.560 -11.916 5.450 1.00 0.00 N ATOM 357 CA LEU A 24 88.139 -11.231 4.263 1.00 0.00 C ATOM 358 C LEU A 24 89.264 -10.309 4.736 1.00 0.00 C ATOM 359 O LEU A 24 90.278 -10.162 4.087 1.00 0.00 O ATOM 360 CB LEU A 24 87.062 -10.392 3.571 1.00 0.00 C ATOM 361 CG LEU A 24 86.030 -11.300 2.893 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.904 -10.438 2.313 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.698 -12.085 1.759 1.00 0.00 C ATOM 0 H LEU A 24 86.601 -11.653 5.677 1.00 0.00 H new ATOM 0 HA LEU A 24 88.522 -11.971 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.568 -9.750 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.522 -9.738 2.831 1.00 0.00 H new ATOM 0 HG LEU A 24 85.624 -11.997 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.167 -11.079 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.426 -9.876 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.317 -9.744 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.961 -12.729 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.104 -11.389 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.504 -12.696 2.165 1.00 0.00 H new ATOM 375 N LEU A 25 89.087 -9.696 5.877 1.00 0.00 N ATOM 376 CA LEU A 25 90.136 -8.785 6.415 1.00 0.00 C ATOM 377 C LEU A 25 91.189 -9.635 7.112 1.00 0.00 C ATOM 378 O LEU A 25 92.251 -9.171 7.479 1.00 0.00 O ATOM 379 CB LEU A 25 89.492 -7.817 7.416 1.00 0.00 C ATOM 380 CG LEU A 25 88.579 -6.838 6.667 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.631 -6.146 7.646 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.437 -5.775 5.986 1.00 0.00 C ATOM 0 H LEU A 25 88.256 -9.789 6.461 1.00 0.00 H new ATOM 0 HA LEU A 25 90.598 -8.209 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.917 -8.373 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.264 -7.270 7.957 1.00 0.00 H new ATOM 0 HG LEU A 25 87.998 -7.391 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.988 -5.454 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.017 -6.894 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.211 -5.596 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.794 -5.076 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.013 -5.236 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.117 -6.253 5.281 1.00 0.00 H new ATOM 394 N ARG A 26 90.900 -10.892 7.266 1.00 0.00 N ATOM 395 CA ARG A 26 91.868 -11.812 7.906 1.00 0.00 C ATOM 396 C ARG A 26 92.548 -12.641 6.821 1.00 0.00 C ATOM 397 O ARG A 26 91.901 -13.310 6.039 1.00 0.00 O ATOM 398 CB ARG A 26 91.126 -12.722 8.883 1.00 0.00 C ATOM 399 CG ARG A 26 90.756 -11.922 10.132 1.00 0.00 C ATOM 400 CD ARG A 26 91.852 -12.092 11.183 1.00 0.00 C ATOM 401 NE ARG A 26 91.863 -13.500 11.673 1.00 0.00 N ATOM 402 CZ ARG A 26 92.901 -13.946 12.322 1.00 0.00 C ATOM 403 NH1 ARG A 26 93.920 -13.158 12.526 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.925 -15.178 12.755 1.00 0.00 N ATOM 0 H ARG A 26 90.024 -11.325 6.972 1.00 0.00 H new ATOM 0 HA ARG A 26 92.623 -11.248 8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.228 -13.123 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.752 -13.573 9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.637 -10.868 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.800 -12.265 10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 26 92.822 -11.838 10.756 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.681 -11.408 12.015 1.00 0.00 H new ATOM 0 HE ARG A 26 91.064 -14.110 11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 26 93.901 -12.199 12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 26 94.736 -13.500 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.130 -15.794 12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 26 93.739 -15.524 13.263 1.00 0.00 H new ATOM 418 N GLY A 27 93.845 -12.596 6.760 1.00 0.00 N ATOM 419 CA GLY A 27 94.564 -13.375 5.718 1.00 0.00 C ATOM 420 C GLY A 27 94.883 -12.469 4.528 1.00 0.00 C ATOM 421 O GLY A 27 95.543 -12.871 3.590 1.00 0.00 O ATOM 0 H GLY A 27 94.440 -12.054 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.484 -13.789 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 27 93.953 -14.217 5.393 1.00 0.00 H new ATOM 425 N LYS A 28 94.424 -11.245 4.555 1.00 0.00 N ATOM 426 CA LYS A 28 94.708 -10.321 3.422 1.00 0.00 C ATOM 427 C LYS A 28 95.883 -9.417 3.784 1.00 0.00 C ATOM 428 O LYS A 28 95.998 -8.936 4.893 1.00 0.00 O ATOM 429 CB LYS A 28 93.479 -9.462 3.126 1.00 0.00 C ATOM 430 CG LYS A 28 92.382 -10.320 2.495 1.00 0.00 C ATOM 431 CD LYS A 28 92.844 -10.839 1.133 1.00 0.00 C ATOM 432 CE LYS A 28 91.647 -10.876 0.182 1.00 0.00 C ATOM 433 NZ LYS A 28 92.066 -11.440 -1.130 1.00 0.00 N ATOM 0 H LYS A 28 93.866 -10.848 5.311 1.00 0.00 H new ATOM 0 HA LYS A 28 94.955 -10.908 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.112 -9.007 4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.748 -8.648 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.141 -11.157 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.471 -9.733 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.625 -10.195 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.274 -11.835 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.848 -11.481 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.247 -9.871 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.250 -11.464 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.814 -10.845 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.427 -12.406 -0.993 1.00 0.00 H new ATOM 447 N ARG A 29 96.752 -9.189 2.849 1.00 0.00 N ATOM 448 CA ARG A 29 97.933 -8.321 3.114 1.00 0.00 C ATOM 449 C ARG A 29 97.492 -6.858 3.195 1.00 0.00 C ATOM 450 O ARG A 29 96.428 -6.492 2.738 1.00 0.00 O ATOM 451 CB ARG A 29 98.954 -8.490 1.987 1.00 0.00 C ATOM 452 CG ARG A 29 99.434 -9.941 1.957 1.00 0.00 C ATOM 453 CD ARG A 29 100.328 -10.191 3.172 1.00 0.00 C ATOM 454 NE ARG A 29 101.243 -11.337 2.905 1.00 0.00 N ATOM 455 CZ ARG A 29 102.287 -11.521 3.670 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.505 -10.719 4.675 1.00 0.00 N ATOM 457 NH2 ARG A 29 103.110 -12.506 3.434 1.00 0.00 N ATOM 0 H ARG A 29 96.698 -9.568 1.903 1.00 0.00 H new ATOM 0 HA ARG A 29 98.388 -8.610 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.505 -8.223 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.798 -7.818 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 29 98.582 -10.620 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.985 -10.137 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.909 -9.296 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 29 99.714 -10.401 4.048 1.00 0.00 H new ATOM 0 HE ARG A 29 101.056 -11.974 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.862 -9.950 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.319 -10.861 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 29 102.940 -13.136 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 29 103.923 -12.646 4.033 1.00 0.00 H new ATOM 471 N ASP A 30 98.302 -6.018 3.781 1.00 0.00 N ATOM 472 CA ASP A 30 97.926 -4.582 3.894 1.00 0.00 C ATOM 473 C ASP A 30 97.695 -3.993 2.501 1.00 0.00 C ATOM 474 O ASP A 30 98.293 -4.409 1.530 1.00 0.00 O ATOM 475 CB ASP A 30 99.042 -3.808 4.592 1.00 0.00 C ATOM 476 CG ASP A 30 100.313 -3.868 3.743 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.287 -4.529 2.719 1.00 0.00 O ATOM 478 OD2 ASP A 30 101.289 -3.249 4.133 1.00 0.00 O ATOM 0 H ASP A 30 99.206 -6.265 4.185 1.00 0.00 H new ATOM 0 HA ASP A 30 97.009 -4.502 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.741 -2.771 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.231 -4.231 5.579 1.00 0.00 H new ATOM 483 N GLY A 31 96.822 -3.028 2.397 1.00 0.00 N ATOM 484 CA GLY A 31 96.539 -2.412 1.071 1.00 0.00 C ATOM 485 C GLY A 31 95.261 -3.022 0.508 1.00 0.00 C ATOM 486 O GLY A 31 94.562 -2.412 -0.276 1.00 0.00 O ATOM 0 H GLY A 31 96.291 -2.639 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.429 -1.332 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.372 -2.585 0.389 1.00 0.00 H new ATOM 490 N THR A 32 94.940 -4.219 0.917 1.00 0.00 N ATOM 491 CA THR A 32 93.699 -4.855 0.414 1.00 0.00 C ATOM 492 C THR A 32 92.516 -4.306 1.200 1.00 0.00 C ATOM 493 O THR A 32 92.447 -4.442 2.406 1.00 0.00 O ATOM 494 CB THR A 32 93.762 -6.376 0.595 1.00 0.00 C ATOM 495 OG1 THR A 32 94.965 -6.881 0.030 1.00 0.00 O ATOM 496 CG2 THR A 32 92.559 -7.005 -0.110 1.00 0.00 C ATOM 0 H THR A 32 95.483 -4.778 1.575 1.00 0.00 H new ATOM 0 HA THR A 32 93.588 -4.634 -0.648 1.00 0.00 H new ATOM 0 HB THR A 32 93.742 -6.622 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.672 -6.877 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.592 -8.088 0.011 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.638 -6.619 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.589 -6.757 -1.171 1.00 0.00 H new ATOM 504 N PHE A 33 91.577 -3.691 0.537 1.00 0.00 N ATOM 505 CA PHE A 33 90.410 -3.151 1.278 1.00 0.00 C ATOM 506 C PHE A 33 89.127 -3.596 0.593 1.00 0.00 C ATOM 507 O PHE A 33 89.125 -4.013 -0.549 1.00 0.00 O ATOM 508 CB PHE A 33 90.475 -1.620 1.341 1.00 0.00 C ATOM 509 CG PHE A 33 89.616 -0.996 0.261 1.00 0.00 C ATOM 510 CD1 PHE A 33 89.940 -1.161 -1.090 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.499 -0.235 0.621 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.141 -0.566 -2.076 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.705 0.357 -0.368 1.00 0.00 C ATOM 514 CZ PHE A 33 88.024 0.191 -1.711 1.00 0.00 C ATOM 0 H PHE A 33 91.568 -3.541 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 33 90.427 -3.535 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.140 -1.278 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.508 -1.291 1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.803 -1.745 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.249 -0.104 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.389 -0.693 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.843 0.944 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.409 0.647 -2.472 1.00 0.00 H new ATOM 524 N LEU A 34 88.038 -3.528 1.295 1.00 0.00 N ATOM 525 CA LEU A 34 86.742 -3.967 0.706 1.00 0.00 C ATOM 526 C LEU A 34 85.668 -2.909 0.975 1.00 0.00 C ATOM 527 O LEU A 34 85.865 -2.004 1.759 1.00 0.00 O ATOM 528 CB LEU A 34 86.335 -5.282 1.358 1.00 0.00 C ATOM 529 CG LEU A 34 86.182 -5.066 2.864 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.829 -5.604 3.321 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.302 -5.800 3.604 1.00 0.00 C ATOM 0 H LEU A 34 87.985 -3.187 2.255 1.00 0.00 H new ATOM 0 HA LEU A 34 86.848 -4.099 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.397 -5.639 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.086 -6.047 1.162 1.00 0.00 H new ATOM 0 HG LEU A 34 86.242 -4.000 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.720 -5.450 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.032 -5.077 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.767 -6.669 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 34 87.191 -5.645 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.246 -6.866 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.268 -5.413 3.279 1.00 0.00 H new ATOM 543 N VAL A 35 84.532 -3.004 0.328 1.00 0.00 N ATOM 544 CA VAL A 35 83.464 -1.982 0.559 1.00 0.00 C ATOM 545 C VAL A 35 82.111 -2.663 0.833 1.00 0.00 C ATOM 546 O VAL A 35 81.670 -3.518 0.090 1.00 0.00 O ATOM 547 CB VAL A 35 83.371 -1.066 -0.672 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.200 -0.092 -0.522 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.675 -0.272 -0.800 1.00 0.00 C ATOM 0 H VAL A 35 84.299 -3.736 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 35 83.718 -1.385 1.435 1.00 0.00 H new ATOM 0 HB VAL A 35 83.211 -1.676 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.146 0.550 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.270 -0.653 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.348 0.521 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.619 0.381 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.824 0.330 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.511 -0.962 -0.917 1.00 0.00 H new ATOM 559 N ARG A 36 81.448 -2.272 1.900 1.00 0.00 N ATOM 560 CA ARG A 36 80.118 -2.873 2.245 1.00 0.00 C ATOM 561 C ARG A 36 79.123 -1.747 2.493 1.00 0.00 C ATOM 562 O ARG A 36 79.237 -0.674 1.935 1.00 0.00 O ATOM 563 CB ARG A 36 80.222 -3.715 3.519 1.00 0.00 C ATOM 564 CG ARG A 36 81.079 -4.946 3.261 1.00 0.00 C ATOM 565 CD ARG A 36 81.626 -5.460 4.593 1.00 0.00 C ATOM 566 NE ARG A 36 82.419 -4.380 5.237 1.00 0.00 N ATOM 567 CZ ARG A 36 82.716 -4.453 6.504 1.00 0.00 C ATOM 568 NH1 ARG A 36 82.338 -5.483 7.210 1.00 0.00 N ATOM 569 NH2 ARG A 36 83.390 -3.491 7.064 1.00 0.00 N ATOM 0 H ARG A 36 81.775 -1.557 2.550 1.00 0.00 H new ATOM 0 HA ARG A 36 79.793 -3.508 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.657 -3.121 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 36 79.227 -4.017 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 36 80.488 -5.721 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.899 -4.699 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.807 -5.766 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.249 -6.339 4.430 1.00 0.00 H new ATOM 0 HE ARG A 36 82.731 -3.580 4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.808 -6.236 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.573 -5.536 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.683 -2.685 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 83.625 -3.543 8.055 1.00 0.00 H new ATOM 583 N GLU A 37 78.155 -1.964 3.343 1.00 0.00 N ATOM 584 CA GLU A 37 77.192 -0.884 3.622 1.00 0.00 C ATOM 585 C GLU A 37 77.518 -0.330 4.999 1.00 0.00 C ATOM 586 O GLU A 37 78.326 -0.882 5.718 1.00 0.00 O ATOM 587 CB GLU A 37 75.766 -1.442 3.633 1.00 0.00 C ATOM 588 CG GLU A 37 75.447 -2.070 2.278 1.00 0.00 C ATOM 589 CD GLU A 37 75.463 -0.995 1.189 1.00 0.00 C ATOM 590 OE1 GLU A 37 75.497 0.174 1.535 1.00 0.00 O ATOM 591 OE2 GLU A 37 75.441 -1.361 0.024 1.00 0.00 O ATOM 0 H GLU A 37 77.998 -2.837 3.847 1.00 0.00 H new ATOM 0 HA GLU A 37 77.259 -0.110 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.663 -2.186 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.055 -0.645 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.177 -2.846 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 37 74.470 -2.551 2.312 1.00 0.00 H new ATOM 677 N TYR A 44 77.573 4.009 3.357 1.00 0.00 N ATOM 678 CA TYR A 44 78.514 2.922 2.951 1.00 0.00 C ATOM 679 C TYR A 44 79.759 2.948 3.843 1.00 0.00 C ATOM 680 O TYR A 44 80.133 3.972 4.378 1.00 0.00 O ATOM 681 CB TYR A 44 78.942 3.121 1.493 1.00 0.00 C ATOM 682 CG TYR A 44 77.749 2.989 0.577 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.370 1.729 0.087 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.027 4.126 0.207 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.266 1.615 -0.770 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.928 4.010 -0.648 1.00 0.00 C ATOM 687 CZ TYR A 44 75.546 2.756 -1.137 1.00 0.00 C ATOM 688 OH TYR A 44 74.461 2.647 -1.982 1.00 0.00 O ATOM 0 HA TYR A 44 78.007 1.963 3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.397 4.104 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.699 2.384 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.928 0.849 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 44 77.319 5.096 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.972 0.646 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.372 4.891 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 44 74.074 3.535 -2.134 1.00 0.00 H new ATOM 698 N ALA A 45 80.401 1.820 4.004 1.00 0.00 N ATOM 699 CA ALA A 45 81.621 1.766 4.855 1.00 0.00 C ATOM 700 C ALA A 45 82.617 0.785 4.240 1.00 0.00 C ATOM 701 O ALA A 45 82.261 -0.315 3.868 1.00 0.00 O ATOM 702 CB ALA A 45 81.244 1.284 6.256 1.00 0.00 C ATOM 0 H ALA A 45 80.130 0.933 3.580 1.00 0.00 H new ATOM 0 HA ALA A 45 82.067 2.759 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.137 1.244 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.524 1.974 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.802 0.290 6.192 1.00 0.00 H new ATOM 708 N CYS A 46 83.860 1.165 4.133 1.00 0.00 N ATOM 709 CA CYS A 46 84.863 0.241 3.545 1.00 0.00 C ATOM 710 C CYS A 46 85.897 -0.121 4.597 1.00 0.00 C ATOM 711 O CYS A 46 86.396 0.717 5.320 1.00 0.00 O ATOM 712 CB CYS A 46 85.558 0.904 2.354 1.00 0.00 C ATOM 713 SG CYS A 46 86.681 2.190 2.956 1.00 0.00 S ATOM 0 H CYS A 46 84.221 2.072 4.427 1.00 0.00 H new ATOM 0 HA CYS A 46 84.356 -0.661 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.112 0.160 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.818 1.337 1.681 1.00 0.00 H new ATOM 0 HG CYS A 46 87.192 1.822 4.094 1.00 0.00 H new ATOM 719 N SER A 47 86.217 -1.373 4.685 1.00 0.00 N ATOM 720 CA SER A 47 87.217 -1.812 5.688 1.00 0.00 C ATOM 721 C SER A 47 88.579 -1.969 5.018 1.00 0.00 C ATOM 722 O SER A 47 88.678 -2.349 3.868 1.00 0.00 O ATOM 723 CB SER A 47 86.781 -3.146 6.289 1.00 0.00 C ATOM 724 OG SER A 47 85.593 -2.954 7.048 1.00 0.00 O ATOM 0 H SER A 47 85.829 -2.116 4.104 1.00 0.00 H new ATOM 0 HA SER A 47 87.291 -1.066 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.607 -3.875 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.571 -3.547 6.924 1.00 0.00 H new ATOM 0 HG SER A 47 85.763 -3.185 7.985 1.00 0.00 H new ATOM 730 N VAL A 48 89.630 -1.681 5.731 1.00 0.00 N ATOM 731 CA VAL A 48 90.985 -1.815 5.141 1.00 0.00 C ATOM 732 C VAL A 48 91.857 -2.636 6.088 1.00 0.00 C ATOM 733 O VAL A 48 91.571 -2.757 7.263 1.00 0.00 O ATOM 734 CB VAL A 48 91.619 -0.438 4.985 1.00 0.00 C ATOM 735 CG1 VAL A 48 93.013 -0.595 4.389 1.00 0.00 C ATOM 736 CG2 VAL A 48 90.759 0.430 4.068 1.00 0.00 C ATOM 0 H VAL A 48 89.607 -1.358 6.698 1.00 0.00 H new ATOM 0 HA VAL A 48 90.906 -2.300 4.168 1.00 0.00 H new ATOM 0 HB VAL A 48 91.690 0.043 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.472 0.387 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.625 -1.207 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.940 -1.077 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 48 91.218 1.413 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.680 -0.042 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.764 0.540 4.499 1.00 0.00 H new ATOM 746 N VAL A 49 92.926 -3.179 5.599 1.00 0.00 N ATOM 747 CA VAL A 49 93.822 -3.967 6.483 1.00 0.00 C ATOM 748 C VAL A 49 95.183 -3.296 6.505 1.00 0.00 C ATOM 749 O VAL A 49 95.757 -3.014 5.473 1.00 0.00 O ATOM 750 CB VAL A 49 93.971 -5.383 5.948 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.898 -6.189 6.865 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.594 -6.034 5.888 1.00 0.00 C ATOM 0 H VAL A 49 93.222 -3.113 4.625 1.00 0.00 H new ATOM 0 HA VAL A 49 93.401 -4.012 7.487 1.00 0.00 H new ATOM 0 HB VAL A 49 94.406 -5.359 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.002 -7.203 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.878 -5.713 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.475 -6.226 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.688 -7.050 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.161 -6.061 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.947 -5.457 5.228 1.00 0.00 H new ATOM 762 N VAL A 50 95.709 -3.033 7.659 1.00 0.00 N ATOM 763 CA VAL A 50 97.033 -2.381 7.706 1.00 0.00 C ATOM 764 C VAL A 50 97.983 -3.201 8.568 1.00 0.00 C ATOM 765 O VAL A 50 97.579 -3.967 9.421 1.00 0.00 O ATOM 766 CB VAL A 50 96.904 -0.973 8.263 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.520 -1.045 9.738 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.245 -0.253 8.102 1.00 0.00 C ATOM 0 H VAL A 50 95.284 -3.239 8.563 1.00 0.00 H new ATOM 0 HA VAL A 50 97.435 -2.321 6.694 1.00 0.00 H new ATOM 0 HB VAL A 50 96.131 -0.425 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.427 -0.036 10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.568 -1.566 9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.290 -1.585 10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 50 98.164 0.759 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 50 99.017 -0.796 8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.510 -0.209 7.046 1.00 0.00 H new ATOM 778 N ASP A 51 99.249 -3.038 8.328 1.00 0.00 N ATOM 779 CA ASP A 51 100.277 -3.796 9.085 1.00 0.00 C ATOM 780 C ASP A 51 99.997 -3.703 10.569 1.00 0.00 C ATOM 781 O ASP A 51 100.478 -4.491 11.359 1.00 0.00 O ATOM 782 CB ASP A 51 101.658 -3.219 8.775 1.00 0.00 C ATOM 783 CG ASP A 51 102.041 -3.581 7.339 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.441 -4.497 6.802 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.922 -2.932 6.799 1.00 0.00 O ATOM 0 H ASP A 51 99.622 -2.399 7.626 1.00 0.00 H new ATOM 0 HA ASP A 51 100.248 -4.845 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.650 -2.136 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.396 -3.615 9.472 1.00 0.00 H new ATOM 790 N GLY A 52 99.221 -2.756 10.955 1.00 0.00 N ATOM 791 CA GLY A 52 98.901 -2.619 12.393 1.00 0.00 C ATOM 792 C GLY A 52 97.725 -3.527 12.742 1.00 0.00 C ATOM 793 O GLY A 52 97.835 -4.407 13.573 1.00 0.00 O ATOM 0 H GLY A 52 98.789 -2.065 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.770 -2.883 12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.655 -1.583 12.625 1.00 0.00 H new ATOM 797 N GLU A 53 96.599 -3.329 12.113 1.00 0.00 N ATOM 798 CA GLU A 53 95.425 -4.199 12.423 1.00 0.00 C ATOM 799 C GLU A 53 94.353 -4.060 11.345 1.00 0.00 C ATOM 800 O GLU A 53 94.580 -3.524 10.281 1.00 0.00 O ATOM 801 CB GLU A 53 94.825 -3.823 13.783 1.00 0.00 C ATOM 802 CG GLU A 53 94.446 -2.341 13.800 1.00 0.00 C ATOM 803 CD GLU A 53 93.779 -2.004 15.135 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.683 -2.891 15.967 1.00 0.00 O ATOM 805 OE2 GLU A 53 93.380 -0.864 15.305 1.00 0.00 O ATOM 0 H GLU A 53 96.440 -2.612 11.406 1.00 0.00 H new ATOM 0 HA GLU A 53 95.771 -5.232 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 93.944 -4.434 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.543 -4.032 14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.334 -1.725 13.659 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.769 -2.118 12.976 1.00 0.00 H new ATOM 812 N VAL A 54 93.177 -4.538 11.634 1.00 0.00 N ATOM 813 CA VAL A 54 92.053 -4.440 10.664 1.00 0.00 C ATOM 814 C VAL A 54 91.216 -3.193 10.984 1.00 0.00 C ATOM 815 O VAL A 54 90.836 -2.971 12.117 1.00 0.00 O ATOM 816 CB VAL A 54 91.182 -5.689 10.798 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.924 -5.529 9.951 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.964 -6.912 10.315 1.00 0.00 C ATOM 0 H VAL A 54 92.944 -4.999 12.513 1.00 0.00 H new ATOM 0 HA VAL A 54 92.439 -4.364 9.647 1.00 0.00 H new ATOM 0 HB VAL A 54 90.903 -5.823 11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.304 -6.420 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.364 -4.659 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.204 -5.393 8.906 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.343 -7.802 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.244 -6.776 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.863 -7.031 10.919 1.00 0.00 H new ATOM 828 N LYS A 55 90.922 -2.373 10.008 1.00 0.00 N ATOM 829 CA LYS A 55 90.108 -1.149 10.293 1.00 0.00 C ATOM 830 C LYS A 55 88.782 -1.185 9.524 1.00 0.00 C ATOM 831 O LYS A 55 88.651 -1.838 8.507 1.00 0.00 O ATOM 832 CB LYS A 55 90.887 0.110 9.889 1.00 0.00 C ATOM 833 CG LYS A 55 91.944 0.427 10.953 1.00 0.00 C ATOM 834 CD LYS A 55 93.207 -0.382 10.677 1.00 0.00 C ATOM 835 CE LYS A 55 94.269 -0.041 11.729 1.00 0.00 C ATOM 836 NZ LYS A 55 94.895 1.268 11.396 1.00 0.00 N ATOM 0 H LYS A 55 91.206 -2.494 9.036 1.00 0.00 H new ATOM 0 HA LYS A 55 89.899 -1.126 11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.365 -0.041 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.204 0.952 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.174 1.492 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.558 0.191 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.982 -1.448 10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.584 -0.160 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.815 0.002 12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.029 -0.822 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.349 1.662 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 95.610 1.132 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.164 1.926 11.057 1.00 0.00 H new ATOM 850 N HIS A 56 87.802 -0.462 10.011 1.00 0.00 N ATOM 851 CA HIS A 56 86.476 -0.410 9.327 1.00 0.00 C ATOM 852 C HIS A 56 86.176 1.045 8.956 1.00 0.00 C ATOM 853 O HIS A 56 85.325 1.681 9.544 1.00 0.00 O ATOM 854 CB HIS A 56 85.370 -0.916 10.259 1.00 0.00 C ATOM 855 CG HIS A 56 85.451 -2.410 10.412 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.748 -3.254 9.352 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.233 -3.226 11.491 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.699 -4.517 9.817 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.390 -4.556 11.114 1.00 0.00 N ATOM 0 H HIS A 56 87.867 0.098 10.861 1.00 0.00 H new ATOM 0 HA HIS A 56 86.508 -1.041 8.439 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.463 -0.439 11.235 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.395 -0.638 9.860 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.978 -2.888 12.484 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.887 -5.392 9.213 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.290 -5.383 11.703 1.00 0.00 H new ATOM 867 N CYS A 57 86.874 1.580 7.990 1.00 0.00 N ATOM 868 CA CYS A 57 86.638 2.999 7.597 1.00 0.00 C ATOM 869 C CYS A 57 85.192 3.175 7.137 1.00 0.00 C ATOM 870 O CYS A 57 84.604 2.299 6.531 1.00 0.00 O ATOM 871 CB CYS A 57 87.590 3.375 6.461 1.00 0.00 C ATOM 872 SG CYS A 57 89.299 3.196 7.023 1.00 0.00 S ATOM 0 H CYS A 57 87.596 1.096 7.457 1.00 0.00 H new ATOM 0 HA CYS A 57 86.820 3.647 8.454 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.412 2.736 5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.406 4.401 6.143 1.00 0.00 H new ATOM 0 HG CYS A 57 90.086 3.093 5.993 1.00 0.00 H new ATOM 878 N VAL A 58 84.613 4.302 7.444 1.00 0.00 N ATOM 879 CA VAL A 58 83.199 4.561 7.060 1.00 0.00 C ATOM 880 C VAL A 58 83.133 5.480 5.834 1.00 0.00 C ATOM 881 O VAL A 58 83.910 6.406 5.698 1.00 0.00 O ATOM 882 CB VAL A 58 82.494 5.241 8.232 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.977 6.688 8.339 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.981 5.222 8.014 1.00 0.00 C ATOM 0 H VAL A 58 85.065 5.063 7.951 1.00 0.00 H new ATOM 0 HA VAL A 58 82.715 3.616 6.815 1.00 0.00 H new ATOM 0 HB VAL A 58 82.727 4.706 9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.477 7.178 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 58 84.054 6.701 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.745 7.218 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.486 5.709 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.739 5.753 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.637 4.190 7.939 1.00 0.00 H new ATOM 894 N ILE A 59 82.192 5.244 4.961 1.00 0.00 N ATOM 895 CA ILE A 59 82.036 6.112 3.759 1.00 0.00 C ATOM 896 C ILE A 59 80.680 6.815 3.871 1.00 0.00 C ATOM 897 O ILE A 59 79.711 6.223 4.305 1.00 0.00 O ATOM 898 CB ILE A 59 82.072 5.256 2.493 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.376 4.453 2.456 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.995 6.164 1.265 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.567 5.405 2.573 1.00 0.00 C ATOM 0 H ILE A 59 81.519 4.481 5.030 1.00 0.00 H new ATOM 0 HA ILE A 59 82.844 6.841 3.704 1.00 0.00 H new ATOM 0 HB ILE A 59 81.225 4.570 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.393 3.730 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.440 3.886 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 59 82.021 5.556 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 59 81.067 6.735 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.843 6.849 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.494 4.833 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.552 6.110 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.505 5.952 3.514 1.00 0.00 H new ATOM 913 N ASN A 60 80.586 8.068 3.508 1.00 0.00 N ATOM 914 CA ASN A 60 79.267 8.764 3.635 1.00 0.00 C ATOM 915 C ASN A 60 78.720 9.134 2.255 1.00 0.00 C ATOM 916 O ASN A 60 79.403 9.723 1.447 1.00 0.00 O ATOM 917 CB ASN A 60 79.435 10.028 4.483 1.00 0.00 C ATOM 918 CG ASN A 60 79.826 9.632 5.908 1.00 0.00 C ATOM 919 OD1 ASN A 60 80.421 10.410 6.628 1.00 0.00 O ATOM 920 ND2 ASN A 60 79.508 8.446 6.348 1.00 0.00 N ATOM 0 H ASN A 60 81.349 8.633 3.135 1.00 0.00 H new ATOM 0 HA ASN A 60 78.559 8.091 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.200 10.672 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.507 10.599 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.759 8.170 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.009 7.794 5.743 1.00 0.00 H new ATOM 1167 N SER A 77 81.816 10.511 -8.584 1.00 0.00 N ATOM 1168 CA SER A 77 81.355 9.095 -8.617 1.00 0.00 C ATOM 1169 C SER A 77 82.049 8.295 -7.509 1.00 0.00 C ATOM 1170 O SER A 77 83.154 8.601 -7.105 1.00 0.00 O ATOM 1171 CB SER A 77 81.677 8.483 -9.982 1.00 0.00 C ATOM 1172 OG SER A 77 81.238 7.131 -10.002 1.00 0.00 O ATOM 0 HA SER A 77 80.278 9.063 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.186 9.049 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.749 8.533 -10.173 1.00 0.00 H new ATOM 0 HG SER A 77 81.440 6.734 -10.875 1.00 0.00 H new ATOM 1178 N LEU A 78 81.402 7.269 -7.014 1.00 0.00 N ATOM 1179 CA LEU A 78 82.011 6.442 -5.930 1.00 0.00 C ATOM 1180 C LEU A 78 83.359 5.894 -6.408 1.00 0.00 C ATOM 1181 O LEU A 78 84.290 5.755 -5.643 1.00 0.00 O ATOM 1182 CB LEU A 78 81.085 5.266 -5.599 1.00 0.00 C ATOM 1183 CG LEU A 78 79.802 5.779 -4.937 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.797 4.629 -4.802 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.126 6.336 -3.547 1.00 0.00 C ATOM 0 H LEU A 78 80.475 6.969 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 78 82.153 7.059 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.840 4.718 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.593 4.568 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 78 79.372 6.568 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.885 4.996 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.561 4.234 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.229 3.838 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.212 6.700 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.560 5.548 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.837 7.157 -3.641 1.00 0.00 H new ATOM 1197 N LYS A 79 83.470 5.583 -7.671 1.00 0.00 N ATOM 1198 CA LYS A 79 84.757 5.047 -8.193 1.00 0.00 C ATOM 1199 C LYS A 79 85.858 6.074 -7.925 1.00 0.00 C ATOM 1200 O LYS A 79 86.964 5.735 -7.549 1.00 0.00 O ATOM 1201 CB LYS A 79 84.626 4.808 -9.701 1.00 0.00 C ATOM 1202 CG LYS A 79 83.720 3.600 -9.953 1.00 0.00 C ATOM 1203 CD LYS A 79 83.465 3.465 -11.456 1.00 0.00 C ATOM 1204 CE LYS A 79 82.523 2.290 -11.721 1.00 0.00 C ATOM 1205 NZ LYS A 79 81.971 2.412 -13.100 1.00 0.00 N ATOM 0 H LYS A 79 82.726 5.677 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 79 85.004 4.106 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.212 5.693 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.609 4.635 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 79 84.188 2.693 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.776 3.721 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.030 4.386 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.408 3.312 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 79 83.058 1.347 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.714 2.284 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.329 1.616 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 81.448 3.307 -13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 82.750 2.398 -13.788 1.00 0.00 H new ATOM 1219 N GLU A 80 85.557 7.333 -8.103 1.00 0.00 N ATOM 1220 CA GLU A 80 86.576 8.391 -7.846 1.00 0.00 C ATOM 1221 C GLU A 80 87.015 8.324 -6.386 1.00 0.00 C ATOM 1222 O GLU A 80 88.177 8.492 -6.067 1.00 0.00 O ATOM 1223 CB GLU A 80 85.966 9.767 -8.100 1.00 0.00 C ATOM 1224 CG GLU A 80 85.636 9.937 -9.581 1.00 0.00 C ATOM 1225 CD GLU A 80 84.957 11.292 -9.781 1.00 0.00 C ATOM 1226 OE1 GLU A 80 84.762 11.983 -8.794 1.00 0.00 O ATOM 1227 OE2 GLU A 80 84.641 11.615 -10.913 1.00 0.00 O ATOM 0 H GLU A 80 84.648 7.674 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 80 87.428 8.232 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.062 9.887 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.662 10.544 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.545 9.878 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 80 84.981 9.133 -9.917 1.00 0.00 H new ATOM 1234 N LEU A 81 86.094 8.096 -5.490 1.00 0.00 N ATOM 1235 CA LEU A 81 86.470 8.032 -4.054 1.00 0.00 C ATOM 1236 C LEU A 81 87.457 6.887 -3.846 1.00 0.00 C ATOM 1237 O LEU A 81 88.475 7.039 -3.198 1.00 0.00 O ATOM 1238 CB LEU A 81 85.221 7.796 -3.205 1.00 0.00 C ATOM 1239 CG LEU A 81 85.608 7.818 -1.725 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.480 8.449 -0.910 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.852 6.387 -1.232 1.00 0.00 C ATOM 0 H LEU A 81 85.104 7.952 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 81 86.932 8.973 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.476 8.565 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.768 6.838 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 81 86.519 8.404 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.757 8.464 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.309 9.469 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.568 7.865 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.127 6.407 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.943 5.799 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.659 5.936 -1.809 1.00 0.00 H new ATOM 1253 N VAL A 82 87.167 5.742 -4.400 1.00 0.00 N ATOM 1254 CA VAL A 82 88.089 4.587 -4.249 1.00 0.00 C ATOM 1255 C VAL A 82 89.383 4.875 -5.027 1.00 0.00 C ATOM 1256 O VAL A 82 90.475 4.628 -4.554 1.00 0.00 O ATOM 1257 CB VAL A 82 87.423 3.329 -4.809 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.379 2.140 -4.674 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.123 3.049 -4.037 1.00 0.00 C ATOM 0 H VAL A 82 86.329 5.559 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 82 88.321 4.433 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 82 87.187 3.479 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.904 1.244 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.294 2.344 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.620 1.985 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.649 2.153 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.352 2.899 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.446 3.896 -4.145 1.00 0.00 H new ATOM 1269 N LEU A 83 89.262 5.396 -6.229 1.00 0.00 N ATOM 1270 CA LEU A 83 90.477 5.699 -7.053 1.00 0.00 C ATOM 1271 C LEU A 83 91.301 6.812 -6.393 1.00 0.00 C ATOM 1272 O LEU A 83 92.506 6.730 -6.304 1.00 0.00 O ATOM 1273 CB LEU A 83 90.044 6.153 -8.460 1.00 0.00 C ATOM 1274 CG LEU A 83 91.273 6.440 -9.332 1.00 0.00 C ATOM 1275 CD1 LEU A 83 91.846 5.122 -9.858 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.856 7.316 -10.519 1.00 0.00 C ATOM 0 H LEU A 83 88.373 5.624 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 83 91.087 4.799 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.432 5.381 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.426 7.048 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 83 92.028 6.955 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 92.719 5.326 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.137 4.491 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.091 4.609 -10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.726 7.523 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 83 90.103 6.794 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 83 90.442 8.255 -10.151 1.00 0.00 H new ATOM 1288 N HIS A 84 90.664 7.858 -5.943 1.00 0.00 N ATOM 1289 CA HIS A 84 91.419 8.981 -5.307 1.00 0.00 C ATOM 1290 C HIS A 84 92.107 8.524 -4.012 1.00 0.00 C ATOM 1291 O HIS A 84 93.214 8.931 -3.718 1.00 0.00 O ATOM 1292 CB HIS A 84 90.452 10.120 -4.984 1.00 0.00 C ATOM 1293 CG HIS A 84 91.222 11.319 -4.491 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.456 11.548 -3.142 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.794 12.376 -5.154 1.00 0.00 C ATOM 1296 CE1 HIS A 84 92.137 12.704 -3.040 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.370 13.250 -4.236 1.00 0.00 N ATOM 0 H HIS A 84 89.653 7.986 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 84 92.185 9.318 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.878 10.385 -5.872 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.737 9.799 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.797 12.510 -6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.456 13.138 -2.104 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.864 14.120 -4.434 1.00 0.00 H new ATOM 1305 N TYR A 85 91.454 7.719 -3.216 1.00 0.00 N ATOM 1306 CA TYR A 85 92.076 7.284 -1.927 1.00 0.00 C ATOM 1307 C TYR A 85 93.165 6.225 -2.150 1.00 0.00 C ATOM 1308 O TYR A 85 93.953 5.954 -1.263 1.00 0.00 O ATOM 1309 CB TYR A 85 90.991 6.726 -0.998 1.00 0.00 C ATOM 1310 CG TYR A 85 90.734 7.715 0.114 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.528 9.069 -0.185 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.719 7.281 1.443 1.00 0.00 C ATOM 1313 CE1 TYR A 85 90.304 9.985 0.850 1.00 0.00 C ATOM 1314 CE2 TYR A 85 90.498 8.198 2.476 1.00 0.00 C ATOM 1315 CZ TYR A 85 90.291 9.549 2.178 1.00 0.00 C ATOM 1316 OH TYR A 85 90.075 10.452 3.196 1.00 0.00 O ATOM 0 H TYR A 85 90.523 7.345 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 85 92.548 8.154 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.074 6.544 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.307 5.769 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.542 9.405 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.878 6.238 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 85 90.141 11.028 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 85 90.487 7.863 3.503 1.00 0.00 H new ATOM 0 HH TYR A 85 90.096 9.985 4.057 1.00 0.00 H new ATOM 1326 N GLN A 86 93.232 5.618 -3.305 1.00 0.00 N ATOM 1327 CA GLN A 86 94.290 4.584 -3.524 1.00 0.00 C ATOM 1328 C GLN A 86 95.660 5.268 -3.514 1.00 0.00 C ATOM 1329 O GLN A 86 96.669 4.659 -3.218 1.00 0.00 O ATOM 1330 CB GLN A 86 94.084 3.881 -4.874 1.00 0.00 C ATOM 1331 CG GLN A 86 94.753 4.696 -5.990 1.00 0.00 C ATOM 1332 CD GLN A 86 94.420 4.088 -7.354 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.342 4.792 -8.341 1.00 0.00 O ATOM 1334 NE2 GLN A 86 94.220 2.804 -7.452 1.00 0.00 N ATOM 0 H GLN A 86 92.611 5.788 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 86 94.232 3.840 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 86 94.507 2.877 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.019 3.771 -5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 86 94.412 5.730 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.833 4.711 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.286 2.213 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 86 93.998 2.390 -8.357 1.00 0.00 H new ATOM 1343 N HIS A 87 95.703 6.530 -3.840 1.00 0.00 N ATOM 1344 CA HIS A 87 97.007 7.249 -3.847 1.00 0.00 C ATOM 1345 C HIS A 87 97.292 7.825 -2.457 1.00 0.00 C ATOM 1346 O HIS A 87 98.420 7.872 -2.012 1.00 0.00 O ATOM 1347 CB HIS A 87 96.960 8.393 -4.860 1.00 0.00 C ATOM 1348 CG HIS A 87 98.321 9.034 -4.938 1.00 0.00 C ATOM 1349 ND1 HIS A 87 99.413 8.392 -5.505 1.00 0.00 N ATOM 1350 CD2 HIS A 87 98.785 10.258 -4.519 1.00 0.00 C ATOM 1351 CE1 HIS A 87 100.467 9.224 -5.413 1.00 0.00 C ATOM 1352 NE2 HIS A 87 100.141 10.375 -4.820 1.00 0.00 N ATOM 0 H HIS A 87 94.894 7.093 -4.101 1.00 0.00 H new ATOM 0 HA HIS A 87 97.795 6.547 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.664 8.017 -5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.213 9.129 -4.562 1.00 0.00 H new ATOM 0 HD2 HIS A 87 98.189 11.015 -4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 87 101.457 8.989 -5.775 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.752 11.169 -4.629 1.00 0.00 H new ATOM 1360 N THR A 88 96.274 8.281 -1.777 1.00 0.00 N ATOM 1361 CA THR A 88 96.478 8.879 -0.425 1.00 0.00 C ATOM 1362 C THR A 88 96.539 7.786 0.640 1.00 0.00 C ATOM 1363 O THR A 88 95.938 6.736 0.517 1.00 0.00 O ATOM 1364 CB THR A 88 95.328 9.840 -0.126 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.277 10.832 -1.140 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.556 10.510 1.229 1.00 0.00 C ATOM 0 H THR A 88 95.307 8.265 -2.101 1.00 0.00 H new ATOM 0 HA THR A 88 97.423 9.422 -0.411 1.00 0.00 H new ATOM 0 HB THR A 88 94.388 9.288 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.540 11.451 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.734 11.195 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.603 9.749 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.494 11.065 1.207 1.00 0.00 H new ATOM 1374 N SER A 89 97.282 8.035 1.680 1.00 0.00 N ATOM 1375 CA SER A 89 97.429 7.036 2.772 1.00 0.00 C ATOM 1376 C SER A 89 96.500 7.378 3.943 1.00 0.00 C ATOM 1377 O SER A 89 96.466 8.493 4.423 1.00 0.00 O ATOM 1378 CB SER A 89 98.883 7.050 3.239 1.00 0.00 C ATOM 1379 OG SER A 89 99.684 6.347 2.300 1.00 0.00 O ATOM 0 H SER A 89 97.801 8.901 1.821 1.00 0.00 H new ATOM 0 HA SER A 89 97.158 6.046 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.235 8.077 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 89 98.966 6.588 4.223 1.00 0.00 H new ATOM 0 HG SER A 89 100.618 6.355 2.596 1.00 0.00 H new ATOM 1385 N LEU A 90 95.750 6.415 4.403 1.00 0.00 N ATOM 1386 CA LEU A 90 94.816 6.654 5.542 1.00 0.00 C ATOM 1387 C LEU A 90 95.607 7.060 6.795 1.00 0.00 C ATOM 1388 O LEU A 90 95.055 7.571 7.751 1.00 0.00 O ATOM 1389 CB LEU A 90 94.030 5.369 5.809 1.00 0.00 C ATOM 1390 CG LEU A 90 92.979 5.180 4.715 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.993 3.722 4.248 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.599 5.529 5.273 1.00 0.00 C ATOM 0 H LEU A 90 95.744 5.463 4.036 1.00 0.00 H new ATOM 0 HA LEU A 90 94.128 7.462 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.706 4.514 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.549 5.420 6.786 1.00 0.00 H new ATOM 0 HG LEU A 90 93.203 5.833 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.245 3.583 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.979 3.476 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.765 3.068 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.847 5.395 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.371 4.875 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.594 6.566 5.608 1.00 0.00 H new ATOM 1404 N VAL A 91 96.895 6.829 6.783 1.00 0.00 N ATOM 1405 CA VAL A 91 97.778 7.185 7.944 1.00 0.00 C ATOM 1406 C VAL A 91 97.138 8.262 8.818 1.00 0.00 C ATOM 1407 O VAL A 91 97.269 8.221 10.025 1.00 0.00 O ATOM 1408 CB VAL A 91 99.101 7.719 7.395 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.871 9.069 6.711 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.101 7.895 8.540 1.00 0.00 C ATOM 0 H VAL A 91 97.386 6.398 6.000 1.00 0.00 H new ATOM 0 HA VAL A 91 97.932 6.295 8.554 1.00 0.00 H new ATOM 0 HB VAL A 91 99.498 7.008 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.817 9.445 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.164 8.945 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 91 98.468 9.779 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.043 8.276 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.701 8.601 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.273 6.934 9.024 1.00 0.00 H new ATOM 1420 N GLN A 92 96.477 9.225 8.212 1.00 0.00 N ATOM 1421 CA GLN A 92 95.842 10.347 8.984 1.00 0.00 C ATOM 1422 C GLN A 92 94.786 9.838 9.967 1.00 0.00 C ATOM 1423 O GLN A 92 94.717 10.293 11.094 1.00 0.00 O ATOM 1424 CB GLN A 92 95.168 11.306 8.002 1.00 0.00 C ATOM 1425 CG GLN A 92 93.997 10.597 7.325 1.00 0.00 C ATOM 1426 CD GLN A 92 93.409 11.509 6.252 1.00 0.00 C ATOM 1427 OE1 GLN A 92 92.274 11.929 6.350 1.00 0.00 O ATOM 1428 NE2 GLN A 92 94.141 11.839 5.224 1.00 0.00 N ATOM 0 H GLN A 92 96.349 9.281 7.202 1.00 0.00 H new ATOM 0 HA GLN A 92 96.626 10.847 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.816 12.194 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.886 11.642 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.332 9.661 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 92 93.235 10.344 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 92 95.094 11.486 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 92 93.760 12.450 4.502 1.00 0.00 H new ATOM 1437 N HIS A 93 93.958 8.912 9.571 1.00 0.00 N ATOM 1438 CA HIS A 93 92.927 8.415 10.524 1.00 0.00 C ATOM 1439 C HIS A 93 93.663 7.842 11.722 1.00 0.00 C ATOM 1440 O HIS A 93 93.347 8.112 12.865 1.00 0.00 O ATOM 1441 CB HIS A 93 92.081 7.331 9.854 1.00 0.00 C ATOM 1442 CG HIS A 93 91.020 7.968 8.997 1.00 0.00 C ATOM 1443 ND1 HIS A 93 89.755 8.233 9.487 1.00 0.00 N ATOM 1444 CD2 HIS A 93 91.014 8.396 7.690 1.00 0.00 C ATOM 1445 CE1 HIS A 93 89.042 8.795 8.495 1.00 0.00 C ATOM 1446 NE2 HIS A 93 89.763 8.917 7.376 1.00 0.00 N ATOM 0 H HIS A 93 93.949 8.484 8.645 1.00 0.00 H new ATOM 0 HA HIS A 93 92.260 9.220 10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 93 92.715 6.687 9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.618 6.698 10.611 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.852 8.337 7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 93 88.013 9.109 8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 93 89.461 9.308 6.484 1.00 0.00 H new ATOM 1454 N ASN A 94 94.685 7.093 11.451 1.00 0.00 N ATOM 1455 CA ASN A 94 95.524 6.521 12.526 1.00 0.00 C ATOM 1456 C ASN A 94 96.969 6.815 12.133 1.00 0.00 C ATOM 1457 O ASN A 94 97.432 6.359 11.107 1.00 0.00 O ATOM 1458 CB ASN A 94 95.293 5.010 12.623 1.00 0.00 C ATOM 1459 CG ASN A 94 93.883 4.748 13.156 1.00 0.00 C ATOM 1460 OD1 ASN A 94 93.277 5.617 13.753 1.00 0.00 O ATOM 1461 ND2 ASN A 94 93.330 3.581 12.967 1.00 0.00 N ATOM 0 H ASN A 94 94.981 6.848 10.506 1.00 0.00 H new ATOM 0 HA ASN A 94 95.283 6.951 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 94 95.416 4.548 11.643 1.00 0.00 H new ATOM 0 HB3 ASN A 94 96.034 4.559 13.283 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.391 3.399 13.320 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.837 2.851 12.466 1.00 0.00 H new ATOM 1468 N ASP A 95 97.674 7.596 12.907 1.00 0.00 N ATOM 1469 CA ASP A 95 99.077 7.937 12.529 1.00 0.00 C ATOM 1470 C ASP A 95 99.779 6.704 11.977 1.00 0.00 C ATOM 1471 O ASP A 95 100.843 6.794 11.397 1.00 0.00 O ATOM 1472 CB ASP A 95 99.844 8.456 13.750 1.00 0.00 C ATOM 1473 CG ASP A 95 99.355 9.861 14.109 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.930 10.566 13.207 1.00 0.00 O ATOM 1475 OD2 ASP A 95 99.417 10.209 15.276 1.00 0.00 O ATOM 0 H ASP A 95 97.343 8.010 13.778 1.00 0.00 H new ATOM 0 HA ASP A 95 99.053 8.714 11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.699 7.783 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.913 8.476 13.538 1.00 0.00 H new ATOM 1480 N SER A 96 99.202 5.553 12.149 1.00 0.00 N ATOM 1481 CA SER A 96 99.856 4.327 11.631 1.00 0.00 C ATOM 1482 C SER A 96 99.042 3.721 10.488 1.00 0.00 C ATOM 1483 O SER A 96 99.177 2.551 10.183 1.00 0.00 O ATOM 1484 CB SER A 96 100.005 3.319 12.771 1.00 0.00 C ATOM 1485 OG SER A 96 100.608 2.129 12.281 1.00 0.00 O ATOM 0 H SER A 96 98.311 5.408 12.623 1.00 0.00 H new ATOM 0 HA SER A 96 100.841 4.584 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 96 100.613 3.745 13.569 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.029 3.094 13.200 1.00 0.00 H new ATOM 0 HG SER A 96 100.187 1.874 11.434 1.00 0.00 H new ATOM 1491 N LEU A 97 98.213 4.493 9.832 1.00 0.00 N ATOM 1492 CA LEU A 97 97.434 3.911 8.699 1.00 0.00 C ATOM 1493 C LEU A 97 98.168 4.204 7.392 1.00 0.00 C ATOM 1494 O LEU A 97 97.627 4.789 6.477 1.00 0.00 O ATOM 1495 CB LEU A 97 96.035 4.518 8.672 1.00 0.00 C ATOM 1496 CG LEU A 97 95.046 3.501 9.246 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.765 4.208 9.689 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.712 2.455 8.177 1.00 0.00 C ATOM 0 H LEU A 97 98.044 5.480 10.026 1.00 0.00 H new ATOM 0 HA LEU A 97 97.340 2.832 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.011 5.438 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.757 4.780 7.651 1.00 0.00 H new ATOM 0 HG LEU A 97 95.497 3.011 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.067 3.476 10.096 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.003 4.947 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.310 4.706 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.008 1.730 8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.266 2.947 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.624 1.942 7.872 1.00 0.00 H new ATOM 1510 N ASN A 98 99.401 3.794 7.294 1.00 0.00 N ATOM 1511 CA ASN A 98 100.171 4.062 6.054 1.00 0.00 C ATOM 1512 C ASN A 98 99.737 3.072 4.981 1.00 0.00 C ATOM 1513 O ASN A 98 100.466 2.178 4.597 1.00 0.00 O ATOM 1514 CB ASN A 98 101.660 3.899 6.349 1.00 0.00 C ATOM 1515 CG ASN A 98 102.472 4.517 5.215 1.00 0.00 C ATOM 1516 OD1 ASN A 98 103.518 4.016 4.856 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.025 5.593 4.632 1.00 0.00 N ATOM 0 H ASN A 98 99.906 3.286 8.020 1.00 0.00 H new ATOM 0 HA ASN A 98 99.985 5.077 5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.910 4.381 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.908 2.843 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.554 6.018 3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.146 6.010 4.937 1.00 0.00 H new ATOM 1524 N VAL A 99 98.536 3.232 4.507 1.00 0.00 N ATOM 1525 CA VAL A 99 98.004 2.321 3.468 1.00 0.00 C ATOM 1526 C VAL A 99 97.016 3.085 2.585 1.00 0.00 C ATOM 1527 O VAL A 99 96.409 4.051 3.004 1.00 0.00 O ATOM 1528 CB VAL A 99 97.279 1.163 4.157 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.613 0.272 3.113 1.00 0.00 C ATOM 1530 CG2 VAL A 99 98.285 0.340 4.961 1.00 0.00 C ATOM 0 H VAL A 99 97.893 3.967 4.802 1.00 0.00 H new ATOM 0 HA VAL A 99 98.818 1.938 2.853 1.00 0.00 H new ATOM 0 HB VAL A 99 96.516 1.564 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 99 96.099 -0.550 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.893 0.857 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 99 97.371 -0.129 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.770 -0.485 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 99 99.049 -0.056 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.755 0.974 5.713 1.00 0.00 H new ATOM 1540 N THR A 100 96.847 2.648 1.370 1.00 0.00 N ATOM 1541 CA THR A 100 95.889 3.323 0.448 1.00 0.00 C ATOM 1542 C THR A 100 94.983 2.253 -0.144 1.00 0.00 C ATOM 1543 O THR A 100 95.282 1.079 -0.082 1.00 0.00 O ATOM 1544 CB THR A 100 96.636 4.012 -0.695 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.029 3.039 -1.650 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.877 4.730 -0.164 1.00 0.00 C ATOM 0 H THR A 100 97.335 1.846 0.971 1.00 0.00 H new ATOM 0 HA THR A 100 95.320 4.072 0.998 1.00 0.00 H new ATOM 0 HB THR A 100 95.976 4.745 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 100 96.752 3.328 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.398 5.215 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.578 5.481 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.541 4.007 0.309 1.00 0.00 H new ATOM 1554 N LEU A 101 93.886 2.631 -0.723 1.00 0.00 N ATOM 1555 CA LEU A 101 92.995 1.604 -1.313 1.00 0.00 C ATOM 1556 C LEU A 101 93.581 1.182 -2.662 1.00 0.00 C ATOM 1557 O LEU A 101 93.069 1.518 -3.711 1.00 0.00 O ATOM 1558 CB LEU A 101 91.599 2.197 -1.496 1.00 0.00 C ATOM 1559 CG LEU A 101 91.145 2.834 -0.181 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.691 3.275 -0.312 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.261 1.809 0.945 1.00 0.00 C ATOM 0 H LEU A 101 93.569 3.596 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 101 92.919 0.734 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.609 2.943 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.898 1.419 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 101 91.772 3.697 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.363 3.730 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.603 4.002 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.067 2.409 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.938 2.261 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.630 0.949 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.298 1.485 1.036 1.00 0.00 H new ATOM 1573 N ALA A 102 94.682 0.475 -2.636 1.00 0.00 N ATOM 1574 CA ALA A 102 95.339 0.062 -3.908 1.00 0.00 C ATOM 1575 C ALA A 102 94.937 -1.361 -4.340 1.00 0.00 C ATOM 1576 O ALA A 102 94.905 -1.652 -5.518 1.00 0.00 O ATOM 1577 CB ALA A 102 96.859 0.129 -3.728 1.00 0.00 C ATOM 0 H ALA A 102 95.154 0.166 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 102 95.010 0.745 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.349 -0.172 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.151 1.149 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.160 -0.542 -2.924 1.00 0.00 H new ATOM 1583 N TYR A 103 94.654 -2.262 -3.429 1.00 0.00 N ATOM 1584 CA TYR A 103 94.296 -3.650 -3.875 1.00 0.00 C ATOM 1585 C TYR A 103 92.833 -3.991 -3.556 1.00 0.00 C ATOM 1586 O TYR A 103 92.463 -4.136 -2.410 1.00 0.00 O ATOM 1587 CB TYR A 103 95.193 -4.669 -3.162 1.00 0.00 C ATOM 1588 CG TYR A 103 96.620 -4.493 -3.611 1.00 0.00 C ATOM 1589 CD1 TYR A 103 96.957 -4.716 -4.949 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.604 -4.105 -2.692 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.279 -4.552 -5.373 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.927 -3.942 -3.117 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.264 -4.164 -4.460 1.00 0.00 C ATOM 1594 OH TYR A 103 100.566 -3.997 -4.884 1.00 0.00 O ATOM 0 H TYR A 103 94.654 -2.105 -2.421 1.00 0.00 H new ATOM 0 HA TYR A 103 94.440 -3.692 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.123 -4.537 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.855 -5.682 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.196 -5.015 -5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.342 -3.932 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.540 -4.725 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.688 -3.645 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 103 101.124 -3.725 -4.126 1.00 0.00 H new ATOM 1604 N PRO A 104 92.007 -4.168 -4.562 1.00 0.00 N ATOM 1605 CA PRO A 104 90.586 -4.561 -4.349 1.00 0.00 C ATOM 1606 C PRO A 104 90.502 -5.906 -3.631 1.00 0.00 C ATOM 1607 O PRO A 104 91.342 -6.766 -3.817 1.00 0.00 O ATOM 1608 CB PRO A 104 89.997 -4.689 -5.751 1.00 0.00 C ATOM 1609 CG PRO A 104 90.964 -4.033 -6.681 1.00 0.00 C ATOM 1610 CD PRO A 104 92.327 -4.017 -5.988 1.00 0.00 C ATOM 0 HA PRO A 104 90.054 -3.834 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.853 -5.736 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.020 -4.209 -5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.019 -4.577 -7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.642 -3.019 -6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.963 -4.828 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.861 -3.086 -6.180 1.00 0.00 H new ATOM 1618 N VAL A 105 89.512 -6.103 -2.813 1.00 0.00 N ATOM 1619 CA VAL A 105 89.401 -7.406 -2.094 1.00 0.00 C ATOM 1620 C VAL A 105 89.082 -8.534 -3.078 1.00 0.00 C ATOM 1621 O VAL A 105 89.574 -9.637 -2.946 1.00 0.00 O ATOM 1622 CB VAL A 105 88.304 -7.325 -1.034 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.961 -7.011 -1.699 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.205 -8.670 -0.302 1.00 0.00 C ATOM 0 H VAL A 105 88.777 -5.426 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 105 90.355 -7.618 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 105 88.548 -6.535 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.183 -6.955 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.028 -6.057 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.715 -7.798 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.423 -8.615 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.964 -9.456 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.158 -8.895 0.176 1.00 0.00 H new ATOM 1634 N TYR A 106 88.260 -8.276 -4.059 1.00 0.00 N ATOM 1635 CA TYR A 106 87.910 -9.347 -5.040 1.00 0.00 C ATOM 1636 C TYR A 106 88.712 -9.155 -6.334 1.00 0.00 C ATOM 1637 O TYR A 106 88.286 -9.541 -7.404 1.00 0.00 O ATOM 1638 CB TYR A 106 86.412 -9.288 -5.357 1.00 0.00 C ATOM 1639 CG TYR A 106 85.582 -9.779 -4.188 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.661 -11.116 -3.776 1.00 0.00 C ATOM 1641 CD2 TYR A 106 84.708 -8.900 -3.534 1.00 0.00 C ATOM 1642 CE1 TYR A 106 84.873 -11.570 -2.707 1.00 0.00 C ATOM 1643 CE2 TYR A 106 83.918 -9.354 -2.470 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.000 -10.690 -2.055 1.00 0.00 C ATOM 1645 OH TYR A 106 83.220 -11.139 -1.008 1.00 0.00 O ATOM 0 H TYR A 106 87.816 -7.373 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 106 88.153 -10.317 -4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.130 -8.264 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.200 -9.896 -6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.329 -11.798 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.643 -7.870 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 106 84.940 -12.599 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.245 -8.674 -1.969 1.00 0.00 H new ATOM 0 HH TYR A 106 83.055 -10.402 -0.384 1.00 0.00 H new ATOM 1655 N ALA A 107 89.871 -8.559 -6.244 1.00 0.00 N ATOM 1656 CA ALA A 107 90.706 -8.334 -7.463 1.00 0.00 C ATOM 1657 C ALA A 107 91.101 -9.677 -8.088 1.00 0.00 C ATOM 1658 O ALA A 107 91.415 -10.625 -7.399 1.00 0.00 O ATOM 1659 CB ALA A 107 91.973 -7.571 -7.072 1.00 0.00 C ATOM 0 H ALA A 107 90.279 -8.216 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 107 90.130 -7.758 -8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.585 -7.404 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.699 -6.611 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.538 -8.153 -6.344 1.00 0.00 H new