USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 712 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 85 HIS : no HD1:sc= -0.644 K(o=-7.4,f=-9.2) USER MOD Set 1.2: A 86 CYS SG : rot 50:sc= -0.743 USER MOD Set 1.3: A 91 HIS :FLIP no HE2:sc= -4.38! C(o=-8.5!,f=-7.4!) USER MOD Set 1.4: A 98 HIS :FLIP no HD1:sc= -1.63 X(o=-7.6,f=-7.4) USER MOD Set 2.1: A 66 HIS : no HE2:sc= -1.83 X(o=-2.1,f=-2.1) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.259 X(o=-2.1,f=-2.1) USER MOD Set 3.1: A 23 ASN : amide:sc=-0.00112 K(o=0.13,f=-1.5!) USER MOD Set 3.2: A 88 THR OG1 : rot -27:sc= 0.136 USER MOD Set 4.1: A 19 GLN : amide:sc= 0.554 K(o=0.23,f=-0.34) USER MOD Set 4.2: A 22 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 6 THR OG1 : rot -23:sc= 0.386 USER MOD Single : A 8 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-3.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00554) USER MOD Single : A 20 GLN : amide:sc= -0.0653 K(o=-0.065,f=-1.2) USER MOD Single : A 30 THR OG1 : rot -45:sc= 1.22 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -150:sc= -0.015 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0129 F(o=-0.9,f=-0.013) USER MOD Single : A 57 HIS : no HE2:sc= 0.0171 K(o=0.017,f=-1.4) USER MOD Single : A 58 CYS SG : rot 86:sc= -1.37 USER MOD Single : A 79 ASN : amide:sc= -0.946 K(o=-0.95,f=-2.1!) USER MOD Single : A 100 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -170:sc= -0.25 (180deg=-0.424) USER MOD Single : A 110 ASN : amide:sc= 0.503 K(o=0.5,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.085 -5.072 3.736 1.00 0.00 N ATOM 60 CA THR A 6 -11.682 -4.869 4.042 1.00 0.00 C ATOM 61 C THR A 6 -10.860 -6.095 3.636 1.00 0.00 C ATOM 62 O THR A 6 -11.387 -7.215 3.585 1.00 0.00 O ATOM 63 CB THR A 6 -11.544 -4.543 5.544 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.385 -5.397 6.309 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.951 -3.099 5.852 1.00 0.00 C ATOM 0 HA THR A 6 -11.289 -4.029 3.469 1.00 0.00 H new ATOM 0 HB THR A 6 -10.495 -4.688 5.803 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.109 -5.736 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.840 -2.909 6.920 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.313 -2.414 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.990 -2.944 5.563 1.00 0.00 H new ATOM 73 N PRO A 7 -9.567 -5.900 3.340 1.00 0.00 N ATOM 74 CA PRO A 7 -8.650 -7.009 3.165 1.00 0.00 C ATOM 75 C PRO A 7 -8.408 -7.736 4.501 1.00 0.00 C ATOM 76 O PRO A 7 -8.657 -8.941 4.581 1.00 0.00 O ATOM 77 CB PRO A 7 -7.396 -6.412 2.524 1.00 0.00 C ATOM 78 CG PRO A 7 -7.517 -4.891 2.649 1.00 0.00 C ATOM 79 CD PRO A 7 -8.938 -4.611 3.087 1.00 0.00 C ATOM 0 HA PRO A 7 -9.044 -7.790 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.497 -6.771 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.318 -6.709 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.803 -4.503 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.301 -4.405 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.950 -3.993 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.479 -4.063 2.315 1.00 0.00 H new ATOM 87 N HIS A 8 -7.973 -7.016 5.545 1.00 0.00 N ATOM 88 CA HIS A 8 -7.722 -7.500 6.906 1.00 0.00 C ATOM 89 C HIS A 8 -8.206 -6.428 7.903 1.00 0.00 C ATOM 90 O HIS A 8 -8.182 -5.243 7.566 1.00 0.00 O ATOM 91 CB HIS A 8 -6.208 -7.740 7.095 1.00 0.00 C ATOM 92 CG HIS A 8 -5.812 -8.850 8.037 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.859 -8.728 9.019 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.220 -10.161 8.022 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.750 -9.910 9.641 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.582 -10.808 9.089 1.00 0.00 N ATOM 0 H HIS A 8 -7.776 -6.019 5.454 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.254 -8.436 7.077 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.772 -7.950 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.758 -6.814 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.905 -10.610 7.319 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.087 -10.112 10.469 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.722 -11.773 9.388 1.00 0.00 H new ATOM 104 N PRO A 9 -8.587 -6.771 9.150 1.00 0.00 N ATOM 105 CA PRO A 9 -8.928 -5.783 10.173 1.00 0.00 C ATOM 106 C PRO A 9 -7.707 -5.252 10.945 1.00 0.00 C ATOM 107 O PRO A 9 -7.830 -4.223 11.612 1.00 0.00 O ATOM 108 CB PRO A 9 -9.876 -6.518 11.123 1.00 0.00 C ATOM 109 CG PRO A 9 -9.357 -7.953 11.071 1.00 0.00 C ATOM 110 CD PRO A 9 -8.943 -8.102 9.610 1.00 0.00 C ATOM 0 HA PRO A 9 -9.371 -4.900 9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.835 -6.109 12.133 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.913 -6.450 10.793 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.517 -8.105 11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.126 -8.673 11.350 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.100 -8.786 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.758 -8.514 9.015 1.00 0.00 H new ATOM 118 N GLN A 10 -6.561 -5.949 10.905 1.00 0.00 N ATOM 119 CA GLN A 10 -5.346 -5.540 11.622 1.00 0.00 C ATOM 120 C GLN A 10 -4.592 -4.427 10.896 1.00 0.00 C ATOM 121 O GLN A 10 -3.749 -3.766 11.501 1.00 0.00 O ATOM 122 CB GLN A 10 -4.413 -6.736 11.847 1.00 0.00 C ATOM 123 CG GLN A 10 -5.012 -7.834 12.739 1.00 0.00 C ATOM 124 CD GLN A 10 -4.364 -7.836 14.118 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.237 -8.299 14.278 1.00 0.00 O ATOM 126 NE2 GLN A 10 -5.038 -7.326 15.129 1.00 0.00 N ATOM 0 H GLN A 10 -6.452 -6.813 10.374 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.671 -5.150 12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.153 -7.168 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.486 -6.381 12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.086 -7.679 12.839 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.872 -8.807 12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.972 -6.946 14.979 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.625 -7.311 16.062 1.00 0.00 H new ATOM 135 N LEU A 11 -4.886 -4.234 9.610 1.00 0.00 N ATOM 136 CA LEU A 11 -4.501 -3.044 8.870 1.00 0.00 C ATOM 137 C LEU A 11 -5.240 -1.808 9.394 1.00 0.00 C ATOM 138 O LEU A 11 -6.457 -1.846 9.579 1.00 0.00 O ATOM 139 CB LEU A 11 -4.867 -3.314 7.417 1.00 0.00 C ATOM 140 CG LEU A 11 -4.519 -2.175 6.440 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.467 -2.662 5.439 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.774 -1.712 5.698 1.00 0.00 C ATOM 0 H LEU A 11 -5.405 -4.911 9.051 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.436 -2.840 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.358 -4.221 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.937 -3.510 7.357 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.118 -1.332 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.221 -1.856 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.568 -2.967 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.862 -3.511 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.514 -0.907 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.194 -2.547 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.510 -1.352 6.417 1.00 0.00 H new ATOM 154 N ILE A 12 -4.509 -0.709 9.572 1.00 0.00 N ATOM 155 CA ILE A 12 -4.978 0.602 9.987 1.00 0.00 C ATOM 156 C ILE A 12 -4.554 1.586 8.906 1.00 0.00 C ATOM 157 O ILE A 12 -3.374 1.904 8.768 1.00 0.00 O ATOM 158 CB ILE A 12 -4.386 0.953 11.366 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.811 -0.063 12.447 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.717 2.384 11.822 1.00 0.00 C ATOM 161 CD1 ILE A 12 -6.321 -0.172 12.662 1.00 0.00 C ATOM 0 H ILE A 12 -3.501 -0.718 9.417 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.062 0.633 10.098 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.305 0.898 11.240 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.424 -1.045 12.175 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.342 0.214 13.391 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.271 2.567 12.800 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.317 3.097 11.101 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.798 2.504 11.889 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.526 -0.909 13.439 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.716 0.797 12.968 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.799 -0.482 11.733 1.00 0.00 H new ATOM 173 N TRP A 13 -5.535 2.057 8.139 1.00 0.00 N ATOM 174 CA TRP A 13 -5.350 2.993 7.039 1.00 0.00 C ATOM 175 C TRP A 13 -4.568 4.237 7.480 1.00 0.00 C ATOM 176 O TRP A 13 -4.731 4.676 8.626 1.00 0.00 O ATOM 177 CB TRP A 13 -6.729 3.391 6.498 1.00 0.00 C ATOM 178 CG TRP A 13 -7.611 2.234 6.158 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.525 1.660 6.973 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.584 1.424 4.949 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.050 0.542 6.364 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.474 0.325 5.131 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.862 1.489 3.738 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.604 -0.697 4.183 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.997 0.465 2.777 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.847 -0.631 3.005 1.00 0.00 C ATOM 0 H TRP A 13 -6.510 1.788 8.272 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.765 2.509 6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.232 4.012 7.239 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.594 4.005 5.607 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.801 2.023 7.952 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.773 -0.050 6.773 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.205 2.324 3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.277 -1.524 4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.440 0.524 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.917 -1.422 2.273 1.00 0.00 H new ATOM 197 N PRO A 14 -3.836 4.889 6.567 1.00 0.00 N ATOM 198 CA PRO A 14 -3.711 4.506 5.167 1.00 0.00 C ATOM 199 C PRO A 14 -2.923 3.223 4.906 1.00 0.00 C ATOM 200 O PRO A 14 -2.308 2.652 5.805 1.00 0.00 O ATOM 201 CB PRO A 14 -3.039 5.679 4.493 1.00 0.00 C ATOM 202 CG PRO A 14 -2.297 6.409 5.607 1.00 0.00 C ATOM 203 CD PRO A 14 -3.218 6.183 6.798 1.00 0.00 C ATOM 0 HA PRO A 14 -4.703 4.279 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.352 5.346 3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.770 6.330 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.303 5.995 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.168 7.468 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.659 6.190 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.969 6.970 6.869 1.00 0.00 H new ATOM 211 N ALA A 15 -2.992 2.753 3.660 1.00 0.00 N ATOM 212 CA ALA A 15 -2.408 1.503 3.219 1.00 0.00 C ATOM 213 C ALA A 15 -1.885 1.607 1.794 1.00 0.00 C ATOM 214 O ALA A 15 -2.123 2.603 1.114 1.00 0.00 O ATOM 215 CB ALA A 15 -3.470 0.409 3.288 1.00 0.00 C ATOM 0 H ALA A 15 -3.473 3.254 2.913 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.568 1.264 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.040 -0.537 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.823 0.309 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.307 0.673 2.641 1.00 0.00 H new ATOM 221 N LEU A 16 -1.167 0.572 1.354 1.00 0.00 N ATOM 222 CA LEU A 16 -0.330 0.595 0.160 1.00 0.00 C ATOM 223 C LEU A 16 -0.319 -0.760 -0.524 1.00 0.00 C ATOM 224 O LEU A 16 0.335 -1.682 -0.028 1.00 0.00 O ATOM 225 CB LEU A 16 1.089 0.976 0.587 1.00 0.00 C ATOM 226 CG LEU A 16 1.217 2.503 0.628 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.026 2.908 1.853 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.780 2.997 -0.703 1.00 0.00 C ATOM 0 H LEU A 16 -1.153 -0.328 1.834 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.726 1.320 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.311 0.555 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.815 0.558 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 16 0.247 2.987 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.119 3.994 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.521 2.560 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.018 2.460 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.873 4.083 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.761 2.553 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.108 2.709 -1.512 1.00 0.00 H new ATOM 240 N LEU A 17 -1.070 -0.892 -1.618 1.00 0.00 N ATOM 241 CA LEU A 17 -1.127 -2.120 -2.411 1.00 0.00 C ATOM 242 C LEU A 17 0.118 -2.207 -3.295 1.00 0.00 C ATOM 243 O LEU A 17 0.634 -1.159 -3.709 1.00 0.00 O ATOM 244 CB LEU A 17 -2.403 -2.087 -3.271 1.00 0.00 C ATOM 245 CG LEU A 17 -2.809 -3.391 -3.986 1.00 0.00 C ATOM 246 CD1 LEU A 17 -3.548 -4.325 -3.025 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.730 -3.035 -5.161 1.00 0.00 C ATOM 0 H LEU A 17 -1.660 -0.144 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.153 -2.996 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.232 -1.780 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.280 -1.312 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.914 -3.901 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.826 -5.240 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.898 -4.571 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.447 -3.831 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.028 -3.947 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.617 -2.525 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.200 -2.381 -5.853 1.00 0.00 H new ATOM 259 N LYS A 18 0.597 -3.415 -3.630 1.00 0.00 N ATOM 260 CA LYS A 18 1.710 -3.567 -4.569 1.00 0.00 C ATOM 261 C LYS A 18 1.603 -4.894 -5.318 1.00 0.00 C ATOM 262 O LYS A 18 2.236 -5.886 -4.937 1.00 0.00 O ATOM 263 CB LYS A 18 3.058 -3.378 -3.844 1.00 0.00 C ATOM 264 CG LYS A 18 3.988 -2.465 -4.643 1.00 0.00 C ATOM 265 CD LYS A 18 4.433 -3.017 -5.997 1.00 0.00 C ATOM 266 CE LYS A 18 4.957 -4.450 -5.913 1.00 0.00 C ATOM 267 NZ LYS A 18 6.116 -4.596 -5.016 1.00 0.00 N ATOM 0 H LYS A 18 0.231 -4.294 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 18 1.657 -2.784 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.886 -2.952 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.534 -4.347 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.485 -1.512 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.874 -2.260 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.593 -2.983 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.212 -2.374 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.155 -5.103 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.235 -4.787 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.433 -5.587 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.890 -3.985 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.845 -4.320 -4.051 1.00 0.00 H new ATOM 281 N GLN A 19 0.829 -4.890 -6.402 1.00 0.00 N ATOM 282 CA GLN A 19 0.398 -6.100 -7.088 1.00 0.00 C ATOM 283 C GLN A 19 1.607 -6.904 -7.584 1.00 0.00 C ATOM 284 O GLN A 19 2.702 -6.357 -7.780 1.00 0.00 O ATOM 285 CB GLN A 19 -0.524 -5.787 -8.266 1.00 0.00 C ATOM 286 CG GLN A 19 -1.581 -4.738 -7.929 1.00 0.00 C ATOM 287 CD GLN A 19 -2.863 -5.018 -8.682 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.917 -4.942 -9.903 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.911 -5.363 -7.971 1.00 0.00 N ATOM 0 H GLN A 19 0.481 -4.033 -6.832 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.160 -6.694 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.075 -5.436 -9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.018 -6.704 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.774 -4.739 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.211 -3.745 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.842 -5.420 -6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.795 -5.575 -8.435 1.00 0.00 H new ATOM 298 N GLN A 20 1.432 -8.203 -7.831 1.00 0.00 N ATOM 299 CA GLN A 20 2.501 -9.041 -8.337 1.00 0.00 C ATOM 300 C GLN A 20 2.886 -8.643 -9.759 1.00 0.00 C ATOM 301 O GLN A 20 2.070 -8.583 -10.680 1.00 0.00 O ATOM 302 CB GLN A 20 2.179 -10.539 -8.228 1.00 0.00 C ATOM 303 CG GLN A 20 2.850 -11.111 -6.968 1.00 0.00 C ATOM 304 CD GLN A 20 2.955 -12.633 -6.963 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.003 -13.273 -8.011 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.138 -13.235 -5.801 1.00 0.00 N ATOM 0 H GLN A 20 0.550 -8.693 -7.685 1.00 0.00 H new ATOM 0 HA GLN A 20 3.368 -8.871 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.100 -10.689 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.534 -11.065 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.850 -10.687 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.287 -10.792 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.097 -12.697 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.321 -14.238 -5.769 1.00 0.00 H new ATOM 315 N GLY A 21 4.175 -8.370 -9.923 1.00 0.00 N ATOM 316 CA GLY A 21 4.808 -7.998 -11.172 1.00 0.00 C ATOM 317 C GLY A 21 4.711 -6.496 -11.435 1.00 0.00 C ATOM 318 O GLY A 21 5.649 -5.932 -11.999 1.00 0.00 O ATOM 0 H GLY A 21 4.836 -8.405 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.856 -8.296 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.339 -8.541 -11.992 1.00 0.00 H new ATOM 322 N CYS A 22 3.637 -5.839 -10.986 1.00 0.00 N ATOM 323 CA CYS A 22 3.521 -4.392 -10.998 1.00 0.00 C ATOM 324 C CYS A 22 4.509 -3.777 -10.002 1.00 0.00 C ATOM 325 O CYS A 22 5.106 -4.459 -9.161 1.00 0.00 O ATOM 326 CB CYS A 22 2.087 -3.978 -10.643 1.00 0.00 C ATOM 327 SG CYS A 22 0.891 -4.842 -11.702 1.00 0.00 S ATOM 0 H CYS A 22 2.818 -6.310 -10.601 1.00 0.00 H new ATOM 0 HA CYS A 22 3.757 -4.026 -11.997 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.885 -4.206 -9.596 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.974 -2.900 -10.762 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.315 -4.477 -11.382 1.00 0.00 H new ATOM 333 N ASN A 23 4.662 -2.460 -10.075 1.00 0.00 N ATOM 334 CA ASN A 23 5.624 -1.676 -9.297 1.00 0.00 C ATOM 335 C ASN A 23 5.040 -0.350 -8.842 1.00 0.00 C ATOM 336 O ASN A 23 5.588 0.270 -7.931 1.00 0.00 O ATOM 337 CB ASN A 23 6.915 -1.399 -10.081 1.00 0.00 C ATOM 338 CG ASN A 23 6.771 -1.520 -11.579 1.00 0.00 C ATOM 339 OD1 ASN A 23 6.157 -0.693 -12.239 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.304 -2.593 -12.131 1.00 0.00 N ATOM 0 H ASN A 23 4.099 -1.883 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 23 5.860 -2.285 -8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.263 -0.394 -9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.686 -2.092 -9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.210 -2.751 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.810 -3.265 -11.555 1.00 0.00 H new ATOM 347 N GLU A 24 3.939 0.088 -9.438 1.00 0.00 N ATOM 348 CA GLU A 24 3.251 1.291 -9.028 1.00 0.00 C ATOM 349 C GLU A 24 2.594 0.986 -7.681 1.00 0.00 C ATOM 350 O GLU A 24 1.657 0.191 -7.605 1.00 0.00 O ATOM 351 CB GLU A 24 2.264 1.687 -10.127 1.00 0.00 C ATOM 352 CG GLU A 24 1.682 3.083 -9.893 1.00 0.00 C ATOM 353 CD GLU A 24 0.820 3.534 -11.075 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.112 2.675 -11.644 1.00 0.00 O ATOM 355 OE2 GLU A 24 0.864 4.742 -11.410 1.00 0.00 O ATOM 0 H GLU A 24 3.500 -0.390 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 24 3.914 2.146 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.767 1.660 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.455 0.958 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.082 3.081 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.492 3.796 -9.739 1.00 0.00 H new ATOM 362 N LEU A 25 3.152 1.521 -6.592 1.00 0.00 N ATOM 363 CA LEU A 25 2.520 1.456 -5.275 1.00 0.00 C ATOM 364 C LEU A 25 1.178 2.168 -5.392 1.00 0.00 C ATOM 365 O LEU A 25 1.112 3.225 -6.014 1.00 0.00 O ATOM 366 CB LEU A 25 3.378 2.132 -4.184 1.00 0.00 C ATOM 367 CG LEU A 25 4.460 1.265 -3.508 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.841 0.227 -2.564 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.441 0.622 -4.495 1.00 0.00 C ATOM 0 H LEU A 25 4.048 2.008 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 25 2.402 0.414 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.867 3.000 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.709 2.504 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 25 5.058 1.952 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.633 -0.366 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.272 0.736 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.178 -0.428 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.172 0.028 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.894 -0.021 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.955 1.402 -5.057 1.00 0.00 H new ATOM 381 N LEU A 26 0.147 1.586 -4.786 1.00 0.00 N ATOM 382 CA LEU A 26 -1.238 2.034 -4.863 1.00 0.00 C ATOM 383 C LEU A 26 -1.638 2.561 -3.484 1.00 0.00 C ATOM 384 O LEU A 26 -1.944 1.744 -2.619 1.00 0.00 O ATOM 385 CB LEU A 26 -2.182 0.943 -5.414 1.00 0.00 C ATOM 386 CG LEU A 26 -3.082 1.397 -6.577 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.977 2.584 -6.199 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.276 1.699 -7.846 1.00 0.00 C ATOM 0 H LEU A 26 0.259 0.756 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.332 2.844 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.581 0.097 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.815 0.585 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.739 0.555 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.591 2.864 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.622 2.303 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.355 3.430 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.952 2.016 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.559 2.494 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.742 0.802 -8.160 1.00 0.00 H new ATOM 400 N PRO A 27 -1.418 3.851 -3.165 1.00 0.00 N ATOM 401 CA PRO A 27 -1.831 4.443 -1.894 1.00 0.00 C ATOM 402 C PRO A 27 -3.365 4.390 -1.762 1.00 0.00 C ATOM 403 O PRO A 27 -4.076 4.790 -2.682 1.00 0.00 O ATOM 404 CB PRO A 27 -1.293 5.881 -1.950 1.00 0.00 C ATOM 405 CG PRO A 27 -1.296 6.218 -3.433 1.00 0.00 C ATOM 406 CD PRO A 27 -0.950 4.881 -4.078 1.00 0.00 C ATOM 0 HA PRO A 27 -1.445 3.915 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.925 6.566 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.291 5.949 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.267 6.588 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.563 6.987 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.430 4.784 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.124 4.795 -4.242 1.00 0.00 H new ATOM 414 N LEU A 28 -3.882 3.935 -0.618 1.00 0.00 N ATOM 415 CA LEU A 28 -5.283 4.022 -0.215 1.00 0.00 C ATOM 416 C LEU A 28 -5.303 4.836 1.063 1.00 0.00 C ATOM 417 O LEU A 28 -4.696 4.437 2.059 1.00 0.00 O ATOM 418 CB LEU A 28 -5.916 2.654 0.108 1.00 0.00 C ATOM 419 CG LEU A 28 -6.092 1.616 -1.011 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.590 2.217 -2.326 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.811 0.816 -1.223 1.00 0.00 C ATOM 0 H LEU A 28 -3.305 3.474 0.085 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.850 4.456 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.313 2.192 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.901 2.843 0.535 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.876 0.938 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.692 1.428 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.558 2.691 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.876 2.960 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.964 0.089 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.001 1.492 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.551 0.295 -0.302 1.00 0.00 H new ATOM 433 N ARG A 29 -5.971 5.985 1.039 1.00 0.00 N ATOM 434 CA ARG A 29 -5.944 6.894 2.176 1.00 0.00 C ATOM 435 C ARG A 29 -6.824 6.353 3.304 1.00 0.00 C ATOM 436 O ARG A 29 -6.382 6.293 4.447 1.00 0.00 O ATOM 437 CB ARG A 29 -6.333 8.312 1.757 1.00 0.00 C ATOM 438 CG ARG A 29 -5.500 8.831 0.578 1.00 0.00 C ATOM 439 CD ARG A 29 -6.075 10.136 0.047 1.00 0.00 C ATOM 440 NE ARG A 29 -7.303 9.890 -0.717 1.00 0.00 N ATOM 441 CZ ARG A 29 -7.952 10.808 -1.431 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.565 12.076 -1.435 1.00 0.00 N ATOM 443 NH2 ARG A 29 -9.003 10.450 -2.146 1.00 0.00 N ATOM 0 H ARG A 29 -6.533 6.306 0.251 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.925 6.955 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.389 8.330 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.211 8.984 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.468 8.984 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.482 8.086 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.286 10.810 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.340 10.632 -0.587 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.688 8.946 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.756 12.364 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.076 12.763 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.311 9.478 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.507 11.146 -2.696 1.00 0.00 H new ATOM 457 N THR A 30 -8.048 5.916 2.999 1.00 0.00 N ATOM 458 CA THR A 30 -8.992 5.391 3.982 1.00 0.00 C ATOM 459 C THR A 30 -9.671 4.107 3.462 1.00 0.00 C ATOM 460 O THR A 30 -9.411 3.683 2.330 1.00 0.00 O ATOM 461 CB THR A 30 -9.972 6.513 4.386 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.754 6.991 3.305 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.291 7.705 5.061 1.00 0.00 C ATOM 0 H THR A 30 -8.414 5.918 2.047 1.00 0.00 H new ATOM 0 HA THR A 30 -8.472 5.083 4.889 1.00 0.00 H new ATOM 0 HB THR A 30 -10.628 6.029 5.110 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.180 7.131 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.040 8.455 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.787 7.371 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.560 8.140 4.379 1.00 0.00 H new ATOM 471 N ASN A 31 -10.549 3.480 4.260 1.00 0.00 N ATOM 472 CA ASN A 31 -11.327 2.308 3.833 1.00 0.00 C ATOM 473 C ASN A 31 -12.191 2.678 2.631 1.00 0.00 C ATOM 474 O ASN A 31 -12.255 1.915 1.665 1.00 0.00 O ATOM 475 CB ASN A 31 -12.179 1.772 5.000 1.00 0.00 C ATOM 476 CG ASN A 31 -13.407 0.957 4.586 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.519 1.214 5.034 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.258 -0.095 3.806 1.00 0.00 N ATOM 0 H ASN A 31 -10.739 3.771 5.219 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.647 1.510 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.547 1.151 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.509 2.616 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.062 -0.682 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.339 -0.322 3.426 1.00 0.00 H new ATOM 485 N ASP A 32 -12.764 3.885 2.647 1.00 0.00 N ATOM 486 CA ASP A 32 -13.570 4.432 1.558 1.00 0.00 C ATOM 487 C ASP A 32 -12.786 4.455 0.239 1.00 0.00 C ATOM 488 O ASP A 32 -13.368 4.479 -0.846 1.00 0.00 O ATOM 489 CB ASP A 32 -14.025 5.874 1.862 1.00 0.00 C ATOM 490 CG ASP A 32 -14.800 6.090 3.163 1.00 0.00 C ATOM 491 OD1 ASP A 32 -14.161 6.029 4.241 1.00 0.00 O ATOM 492 OD2 ASP A 32 -15.984 6.487 3.099 1.00 0.00 O ATOM 0 H ASP A 32 -12.676 4.523 3.438 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.439 3.780 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.142 6.512 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.647 6.216 1.035 1.00 0.00 H new ATOM 497 N ASP A 33 -11.452 4.474 0.299 1.00 0.00 N ATOM 498 CA ASP A 33 -10.607 4.647 -0.871 1.00 0.00 C ATOM 499 C ASP A 33 -10.183 3.302 -1.443 1.00 0.00 C ATOM 500 O ASP A 33 -10.079 3.174 -2.665 1.00 0.00 O ATOM 501 CB ASP A 33 -9.394 5.520 -0.529 1.00 0.00 C ATOM 502 CG ASP A 33 -9.823 6.921 -0.119 1.00 0.00 C ATOM 503 OD1 ASP A 33 -10.534 7.597 -0.904 1.00 0.00 O ATOM 504 OD2 ASP A 33 -9.488 7.342 1.010 1.00 0.00 O ATOM 0 H ASP A 33 -10.931 4.369 1.169 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.184 5.159 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.827 5.059 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.730 5.578 -1.391 1.00 0.00 H new ATOM 509 N TRP A 34 -10.006 2.281 -0.594 1.00 0.00 N ATOM 510 CA TRP A 34 -9.895 0.889 -1.036 1.00 0.00 C ATOM 511 C TRP A 34 -11.146 0.502 -1.812 1.00 0.00 C ATOM 512 O TRP A 34 -11.043 -0.132 -2.865 1.00 0.00 O ATOM 513 CB TRP A 34 -9.715 -0.045 0.167 1.00 0.00 C ATOM 514 CG TRP A 34 -9.878 -1.519 -0.101 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.055 -2.185 -0.190 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.846 -2.520 -0.356 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.821 -3.521 -0.442 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.475 -3.786 -0.556 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.441 -2.483 -0.461 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.747 -4.952 -0.841 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.702 -3.647 -0.746 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.349 -4.879 -0.940 1.00 0.00 C ATOM 0 H TRP A 34 -9.936 2.399 0.417 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.022 0.792 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.720 0.119 0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.432 0.244 0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.031 -1.736 -0.080 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.554 -4.225 -0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.923 -1.546 -0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.257 -5.894 -0.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.626 -3.592 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.774 -5.765 -1.164 1.00 0.00 H new ATOM 533 N GLN A 35 -12.320 0.906 -1.308 1.00 0.00 N ATOM 534 CA GLN A 35 -13.555 0.733 -2.048 1.00 0.00 C ATOM 535 C GLN A 35 -13.394 1.349 -3.430 1.00 0.00 C ATOM 536 O GLN A 35 -13.494 0.622 -4.416 1.00 0.00 O ATOM 537 CB GLN A 35 -14.765 1.321 -1.310 1.00 0.00 C ATOM 538 CG GLN A 35 -15.029 0.639 0.048 1.00 0.00 C ATOM 539 CD GLN A 35 -16.522 0.490 0.359 1.00 0.00 C ATOM 540 OE1 GLN A 35 -17.276 1.453 0.373 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.006 -0.716 0.600 1.00 0.00 N ATOM 0 H GLN A 35 -12.430 1.351 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.754 -0.334 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.604 2.387 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.650 1.223 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.562 -0.346 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.554 1.219 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.386 -1.526 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.000 -0.837 0.795 1.00 0.00 H new ATOM 550 N ARG A 36 -13.120 2.657 -3.529 1.00 0.00 N ATOM 551 CA ARG A 36 -13.331 3.295 -4.825 1.00 0.00 C ATOM 552 C ARG A 36 -12.261 2.829 -5.827 1.00 0.00 C ATOM 553 O ARG A 36 -12.458 2.890 -7.036 1.00 0.00 O ATOM 554 CB ARG A 36 -13.438 4.800 -4.732 1.00 0.00 C ATOM 555 CG ARG A 36 -12.219 5.622 -5.073 1.00 0.00 C ATOM 556 CD ARG A 36 -11.536 6.397 -3.950 1.00 0.00 C ATOM 557 NE ARG A 36 -11.010 7.671 -4.490 1.00 0.00 N ATOM 558 CZ ARG A 36 -11.247 8.904 -4.033 1.00 0.00 C ATOM 559 NH1 ARG A 36 -11.760 9.083 -2.827 1.00 0.00 N ATOM 560 NH2 ARG A 36 -10.951 9.957 -4.786 1.00 0.00 N ATOM 0 H ARG A 36 -12.775 3.257 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.302 2.972 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.249 5.118 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.735 5.051 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.479 4.954 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.504 6.336 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.244 6.594 -3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.725 5.806 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.398 7.600 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.977 8.277 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.939 10.027 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.543 9.824 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.131 10.899 -4.439 1.00 0.00 H new ATOM 696 N LEU A 45 -6.875 -7.592 -8.705 1.00 0.00 N ATOM 697 CA LEU A 45 -6.428 -8.287 -7.505 1.00 0.00 C ATOM 698 C LEU A 45 -6.123 -9.734 -7.851 1.00 0.00 C ATOM 699 O LEU A 45 -6.962 -10.402 -8.461 1.00 0.00 O ATOM 700 CB LEU A 45 -7.489 -8.185 -6.396 1.00 0.00 C ATOM 701 CG LEU A 45 -7.658 -6.751 -5.855 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.984 -6.632 -5.100 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.504 -6.357 -4.928 1.00 0.00 C ATOM 0 HA LEU A 45 -5.519 -7.819 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.446 -8.537 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.214 -8.847 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.654 -6.072 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.097 -5.616 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.809 -6.861 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.992 -7.334 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.658 -5.340 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.468 -7.042 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.563 -6.408 -5.476 1.00 0.00 H new ATOM 715 N GLN A 46 -4.938 -10.211 -7.481 1.00 0.00 N ATOM 716 CA GLN A 46 -4.433 -11.554 -7.750 1.00 0.00 C ATOM 717 C GLN A 46 -3.637 -12.002 -6.522 1.00 0.00 C ATOM 718 O GLN A 46 -3.239 -11.166 -5.703 1.00 0.00 O ATOM 719 CB GLN A 46 -3.541 -11.583 -9.020 1.00 0.00 C ATOM 720 CG GLN A 46 -4.044 -10.734 -10.210 1.00 0.00 C ATOM 721 CD GLN A 46 -2.984 -10.397 -11.264 1.00 0.00 C ATOM 722 OE1 GLN A 46 -3.153 -10.605 -12.468 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.935 -9.704 -10.850 1.00 0.00 N ATOM 0 H GLN A 46 -4.270 -9.643 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.266 -12.231 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.543 -11.240 -8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.444 -12.617 -9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.861 -11.267 -10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.457 -9.803 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.797 -9.533 -9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.264 -9.341 -11.527 1.00 0.00 H new ATOM 732 N TYR A 47 -3.365 -13.301 -6.396 1.00 0.00 N ATOM 733 CA TYR A 47 -2.630 -13.824 -5.252 1.00 0.00 C ATOM 734 C TYR A 47 -1.282 -13.122 -5.111 1.00 0.00 C ATOM 735 O TYR A 47 -0.591 -12.838 -6.094 1.00 0.00 O ATOM 736 CB TYR A 47 -2.478 -15.345 -5.355 1.00 0.00 C ATOM 737 CG TYR A 47 -3.795 -16.073 -5.553 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.893 -15.789 -4.717 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.928 -17.024 -6.582 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.125 -16.430 -4.921 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.147 -17.696 -6.766 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.247 -17.409 -5.928 1.00 0.00 C ATOM 743 OH TYR A 47 -7.376 -18.160 -6.009 1.00 0.00 O ATOM 0 H TYR A 47 -3.645 -14.009 -7.075 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.200 -13.617 -4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.813 -15.580 -6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.999 -15.717 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.786 -15.074 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.091 -17.237 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.977 -16.174 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.244 -18.433 -7.549 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.299 -18.786 -6.759 1.00 0.00 H new ATOM 753 N GLY A 48 -0.926 -12.803 -3.867 1.00 0.00 N ATOM 754 CA GLY A 48 0.333 -12.150 -3.580 1.00 0.00 C ATOM 755 C GLY A 48 0.282 -10.617 -3.664 1.00 0.00 C ATOM 756 O GLY A 48 1.339 -9.995 -3.557 1.00 0.00 O ATOM 0 H GLY A 48 -1.500 -12.991 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.658 -12.437 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.086 -12.516 -4.278 1.00 0.00 H new ATOM 760 N ASP A 49 -0.897 -9.999 -3.829 1.00 0.00 N ATOM 761 CA ASP A 49 -1.092 -8.566 -4.123 1.00 0.00 C ATOM 762 C ASP A 49 -0.469 -7.591 -3.108 1.00 0.00 C ATOM 763 O ASP A 49 -0.102 -6.479 -3.470 1.00 0.00 O ATOM 764 CB ASP A 49 -2.594 -8.253 -4.229 1.00 0.00 C ATOM 765 CG ASP A 49 -2.923 -7.552 -5.538 1.00 0.00 C ATOM 766 OD1 ASP A 49 -3.134 -8.249 -6.552 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.969 -6.310 -5.555 1.00 0.00 O ATOM 0 H ASP A 49 -1.781 -10.504 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.567 -8.406 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.166 -9.178 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.896 -7.624 -3.392 1.00 0.00 H new ATOM 772 N LYS A 50 -0.329 -8.039 -1.854 1.00 0.00 N ATOM 773 CA LYS A 50 0.310 -7.414 -0.683 1.00 0.00 C ATOM 774 C LYS A 50 -0.243 -6.049 -0.273 1.00 0.00 C ATOM 775 O LYS A 50 -0.776 -5.287 -1.069 1.00 0.00 O ATOM 776 CB LYS A 50 1.822 -7.347 -0.894 1.00 0.00 C ATOM 777 CG LYS A 50 2.669 -6.933 0.325 1.00 0.00 C ATOM 778 CD LYS A 50 4.155 -7.212 0.085 1.00 0.00 C ATOM 779 CE LYS A 50 4.439 -8.700 0.308 1.00 0.00 C ATOM 780 NZ LYS A 50 5.676 -9.129 -0.363 1.00 0.00 N ATOM 0 H LYS A 50 -0.704 -8.954 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 50 0.065 -8.062 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.163 -8.326 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.023 -6.645 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.523 -5.872 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.332 -7.477 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.430 -6.927 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.763 -6.610 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.518 -8.898 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.601 -9.289 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.833 -10.142 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.591 -8.964 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.480 -8.585 0.010 1.00 0.00 H new ATOM 794 N LEU A 51 -0.121 -5.751 1.019 1.00 0.00 N ATOM 795 CA LEU A 51 -0.473 -4.478 1.607 1.00 0.00 C ATOM 796 C LEU A 51 0.584 -4.162 2.660 1.00 0.00 C ATOM 797 O LEU A 51 1.159 -5.080 3.251 1.00 0.00 O ATOM 798 CB LEU A 51 -1.875 -4.589 2.267 1.00 0.00 C ATOM 799 CG LEU A 51 -2.946 -3.528 1.942 1.00 0.00 C ATOM 800 CD1 LEU A 51 -2.985 -3.007 0.513 1.00 0.00 C ATOM 801 CD2 LEU A 51 -4.340 -4.116 2.179 1.00 0.00 C ATOM 0 H LEU A 51 0.239 -6.418 1.701 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.509 -3.689 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.287 -5.563 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.730 -4.588 3.347 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.672 -2.699 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.781 -2.268 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.029 -2.545 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.174 -3.835 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.096 -3.365 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.483 -4.984 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.435 -4.418 3.222 1.00 0.00 H new ATOM 813 N VAL A 52 0.764 -2.884 2.966 1.00 0.00 N ATOM 814 CA VAL A 52 1.345 -2.377 4.207 1.00 0.00 C ATOM 815 C VAL A 52 0.370 -1.307 4.695 1.00 0.00 C ATOM 816 O VAL A 52 -0.372 -0.741 3.883 1.00 0.00 O ATOM 817 CB VAL A 52 2.776 -1.845 3.962 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.403 -1.212 5.214 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.717 -2.978 3.539 1.00 0.00 C ATOM 0 H VAL A 52 0.497 -2.135 2.327 1.00 0.00 H new ATOM 0 HA VAL A 52 1.467 -3.148 4.968 1.00 0.00 H new ATOM 0 HB VAL A 52 2.668 -1.093 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.407 -0.858 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.790 -0.373 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.458 -1.956 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.717 -2.577 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.754 -3.733 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.350 -3.431 2.618 1.00 0.00 H new ATOM 829 N ASP A 53 0.364 -1.039 5.998 1.00 0.00 N ATOM 830 CA ASP A 53 -0.426 -0.015 6.669 1.00 0.00 C ATOM 831 C ASP A 53 0.456 0.953 7.463 1.00 0.00 C ATOM 832 O ASP A 53 1.680 0.811 7.504 1.00 0.00 O ATOM 833 CB ASP A 53 -1.453 -0.697 7.579 1.00 0.00 C ATOM 834 CG ASP A 53 -0.953 -1.080 8.969 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.264 -1.238 9.172 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.808 -1.233 9.863 1.00 0.00 O ATOM 0 H ASP A 53 0.946 -1.563 6.651 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.943 0.580 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.310 -0.033 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.811 -1.598 7.081 1.00 0.00 H new ATOM 841 N SER A 54 -0.170 1.928 8.121 1.00 0.00 N ATOM 842 CA SER A 54 0.516 2.905 8.957 1.00 0.00 C ATOM 843 C SER A 54 1.129 2.335 10.247 1.00 0.00 C ATOM 844 O SER A 54 1.986 3.003 10.827 1.00 0.00 O ATOM 845 CB SER A 54 -0.466 4.024 9.302 1.00 0.00 C ATOM 846 OG SER A 54 -0.502 4.982 8.261 1.00 0.00 O ATOM 0 H SER A 54 -1.181 2.061 8.086 1.00 0.00 H new ATOM 0 HA SER A 54 1.362 3.271 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.462 3.609 9.458 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.170 4.502 10.236 1.00 0.00 H new ATOM 0 HG SER A 54 -0.712 5.863 8.635 1.00 0.00 H new ATOM 852 N ASN A 55 0.741 1.143 10.712 1.00 0.00 N ATOM 853 CA ASN A 55 1.460 0.460 11.793 1.00 0.00 C ATOM 854 C ASN A 55 2.747 -0.192 11.279 1.00 0.00 C ATOM 855 O ASN A 55 3.508 -0.698 12.108 1.00 0.00 O ATOM 856 CB ASN A 55 0.660 -0.683 12.434 1.00 0.00 C ATOM 857 CG ASN A 55 -0.619 -0.326 13.160 1.00 0.00 C ATOM 858 OD1 ASN A 55 -1.744 -0.647 12.562 1.00 0.00 O flip ATOM 859 ND2 ASN A 55 -0.632 0.149 14.296 1.00 0.00 N flip ATOM 0 H ASN A 55 -0.067 0.631 10.357 1.00 0.00 H new ATOM 0 HA ASN A 55 1.651 1.246 12.524 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.412 -1.399 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.314 -1.196 13.139 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.244 0.396 14.755 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.519 0.295 14.778 1.00 0.00 H new ATOM 866 N PHE A 56 2.993 -0.221 9.961 1.00 0.00 N ATOM 867 CA PHE A 56 4.030 -1.028 9.322 1.00 0.00 C ATOM 868 C PHE A 56 3.739 -2.521 9.497 1.00 0.00 C ATOM 869 O PHE A 56 4.651 -3.340 9.601 1.00 0.00 O ATOM 870 CB PHE A 56 5.428 -0.608 9.821 1.00 0.00 C ATOM 871 CG PHE A 56 5.727 0.868 9.673 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.084 1.355 8.411 1.00 0.00 C ATOM 873 CD2 PHE A 56 5.655 1.749 10.768 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.401 2.713 8.232 1.00 0.00 C ATOM 875 CE2 PHE A 56 5.947 3.113 10.590 1.00 0.00 C ATOM 876 CZ PHE A 56 6.331 3.594 9.325 1.00 0.00 C ATOM 0 H PHE A 56 2.457 0.335 9.295 1.00 0.00 H new ATOM 0 HA PHE A 56 4.022 -0.843 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.523 -0.882 10.872 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.181 -1.175 9.274 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.116 0.682 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.376 1.378 11.743 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.697 3.077 7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.876 3.793 11.426 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.572 4.639 9.194 1.00 0.00 H new ATOM 886 N HIS A 57 2.463 -2.900 9.540 1.00 0.00 N ATOM 887 CA HIS A 57 2.019 -4.271 9.417 1.00 0.00 C ATOM 888 C HIS A 57 1.930 -4.614 7.927 1.00 0.00 C ATOM 889 O HIS A 57 1.060 -4.093 7.223 1.00 0.00 O ATOM 890 CB HIS A 57 0.640 -4.436 10.078 1.00 0.00 C ATOM 891 CG HIS A 57 0.504 -4.126 11.551 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.698 -3.914 12.201 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.503 -4.017 12.483 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.426 -3.709 13.500 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.897 -3.769 13.721 1.00 0.00 N ATOM 0 H HIS A 57 1.696 -2.239 9.665 1.00 0.00 H new ATOM 0 HA HIS A 57 2.722 -4.940 9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.064 -3.801 9.539 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.321 -5.467 9.925 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.623 -3.913 11.772 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.563 -4.106 12.297 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.169 -3.522 14.261 1.00 0.00 H new ATOM 903 N CYS A 58 2.820 -5.475 7.423 1.00 0.00 N ATOM 904 CA CYS A 58 2.663 -6.015 6.077 1.00 0.00 C ATOM 905 C CYS A 58 1.636 -7.150 6.110 1.00 0.00 C ATOM 906 O CYS A 58 1.574 -7.913 7.087 1.00 0.00 O ATOM 907 CB CYS A 58 3.983 -6.561 5.521 1.00 0.00 C ATOM 908 SG CYS A 58 5.403 -5.516 5.899 1.00 0.00 S ATOM 0 H CYS A 58 3.645 -5.807 7.922 1.00 0.00 H new ATOM 0 HA CYS A 58 2.331 -5.204 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.156 -7.558 5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.897 -6.668 4.440 1.00 0.00 H new ATOM 0 HG CYS A 58 5.869 -5.825 7.073 1.00 0.00 H new ATOM 914 N PHE A 59 0.908 -7.332 5.009 1.00 0.00 N ATOM 915 CA PHE A 59 -0.067 -8.398 4.806 1.00 0.00 C ATOM 916 C PHE A 59 -0.095 -8.830 3.340 1.00 0.00 C ATOM 917 O PHE A 59 0.337 -8.054 2.495 1.00 0.00 O ATOM 918 CB PHE A 59 -1.457 -7.865 5.153 1.00 0.00 C ATOM 919 CG PHE A 59 -1.665 -7.470 6.601 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.691 -8.446 7.615 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.787 -6.111 6.940 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.776 -8.060 8.964 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.913 -5.729 8.284 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.884 -6.700 9.299 1.00 0.00 C ATOM 0 H PHE A 59 0.986 -6.714 4.202 1.00 0.00 H new ATOM 0 HA PHE A 59 0.208 -9.244 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.661 -6.997 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.193 -8.626 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.646 -9.494 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.784 -5.360 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.758 -8.808 9.742 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.033 -4.686 8.539 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.945 -6.401 10.335 1.00 0.00 H new ATOM 934 N VAL A 60 -0.682 -9.980 2.984 1.00 0.00 N ATOM 935 CA VAL A 60 -0.931 -10.350 1.590 1.00 0.00 C ATOM 936 C VAL A 60 -2.114 -11.315 1.404 1.00 0.00 C ATOM 937 O VAL A 60 -2.421 -12.079 2.309 1.00 0.00 O ATOM 938 CB VAL A 60 0.387 -10.844 0.995 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.082 -12.000 1.685 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.221 -11.278 -0.447 1.00 0.00 C ATOM 0 H VAL A 60 -0.997 -10.679 3.657 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.262 -9.473 1.034 1.00 0.00 H new ATOM 0 HB VAL A 60 1.012 -9.960 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.002 -12.241 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.319 -11.722 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.426 -12.870 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.179 -11.623 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.506 -12.089 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.130 -10.435 -1.042 1.00 0.00 H new ATOM 950 N LEU A 61 -2.779 -11.239 0.240 1.00 0.00 N ATOM 951 CA LEU A 61 -3.886 -12.099 -0.197 1.00 0.00 C ATOM 952 C LEU A 61 -3.344 -13.485 -0.538 1.00 0.00 C ATOM 953 O LEU A 61 -2.330 -13.583 -1.238 1.00 0.00 O ATOM 954 CB LEU A 61 -4.581 -11.477 -1.429 1.00 0.00 C ATOM 955 CG LEU A 61 -5.607 -12.361 -2.173 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.843 -12.687 -1.323 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.038 -11.630 -3.450 1.00 0.00 C ATOM 0 H LEU A 61 -2.544 -10.535 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.618 -12.188 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.087 -10.566 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.810 -11.181 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.127 -13.312 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.527 -13.310 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.536 -13.221 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.345 -11.762 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.763 -12.238 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.491 -10.674 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.167 -11.457 -4.082 1.00 0.00 H new ATOM 969 N GLU A 62 -4.023 -14.542 -0.097 1.00 0.00 N ATOM 970 CA GLU A 62 -3.635 -15.933 -0.341 1.00 0.00 C ATOM 971 C GLU A 62 -4.720 -16.622 -1.192 1.00 0.00 C ATOM 972 O GLU A 62 -5.739 -16.004 -1.517 1.00 0.00 O ATOM 973 CB GLU A 62 -3.353 -16.683 0.944 1.00 0.00 C ATOM 974 CG GLU A 62 -2.272 -15.961 1.754 1.00 0.00 C ATOM 975 CD GLU A 62 -0.874 -16.577 1.778 1.00 0.00 C ATOM 976 OE1 GLU A 62 -0.677 -17.727 2.231 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.089 -15.870 1.396 1.00 0.00 O ATOM 0 H GLU A 62 -4.878 -14.455 0.453 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.697 -15.942 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.266 -16.764 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.029 -17.699 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.185 -14.946 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.621 -15.881 2.783 1.00 0.00 H new ATOM 984 N GLU A 63 -4.551 -17.906 -1.519 1.00 0.00 N ATOM 985 CA GLU A 63 -5.461 -18.682 -2.366 1.00 0.00 C ATOM 986 C GLU A 63 -6.887 -18.787 -1.810 1.00 0.00 C ATOM 987 O GLU A 63 -7.823 -19.067 -2.559 1.00 0.00 O ATOM 988 CB GLU A 63 -4.921 -20.102 -2.600 1.00 0.00 C ATOM 989 CG GLU A 63 -3.556 -20.175 -3.295 1.00 0.00 C ATOM 990 CD GLU A 63 -2.358 -20.276 -2.349 1.00 0.00 C ATOM 991 OE1 GLU A 63 -2.347 -19.632 -1.275 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.360 -20.948 -2.712 1.00 0.00 O ATOM 0 H GLU A 63 -3.753 -18.451 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.512 -18.131 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.849 -20.609 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.645 -20.655 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.549 -21.038 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.434 -19.290 -3.919 1.00 0.00 H new ATOM 999 N ASP A 64 -7.058 -18.576 -0.504 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.324 -18.775 0.209 1.00 0.00 C ATOM 1001 C ASP A 64 -9.183 -17.503 0.250 1.00 0.00 C ATOM 1002 O ASP A 64 -10.070 -17.348 1.096 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.058 -19.336 1.617 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.012 -20.491 1.916 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.204 -20.434 1.570 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.555 -21.525 2.460 1.00 0.00 O ATOM 0 H ASP A 64 -6.304 -18.255 0.103 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.907 -19.508 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.026 -19.679 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.185 -18.548 2.360 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.865 -16.531 -0.614 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.431 -15.185 -0.666 1.00 0.00 C ATOM 1013 C ALA A 65 -9.193 -14.355 0.606 1.00 0.00 C ATOM 1014 O ALA A 65 -9.632 -13.197 0.655 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.920 -15.231 -1.050 1.00 0.00 C ATOM 0 H ALA A 65 -8.162 -16.676 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.887 -14.659 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.319 -14.217 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.029 -15.695 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.469 -15.814 -0.310 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.526 -14.909 1.622 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.184 -14.187 2.832 1.00 0.00 C ATOM 1023 C HIS A 66 -6.925 -13.361 2.640 1.00 0.00 C ATOM 1024 O HIS A 66 -6.212 -13.530 1.653 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.118 -15.131 4.047 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.005 -16.162 4.071 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -7.098 -17.424 4.629 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -5.711 -16.007 3.642 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -5.898 -18.018 4.511 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -5.032 -17.189 3.920 1.00 0.00 N ATOM 0 H HIS A 66 -8.210 -15.879 1.620 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.982 -13.476 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.029 -14.519 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.069 -15.660 4.114 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -7.930 -17.832 5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.295 -15.127 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.667 -19.019 4.845 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.602 -12.528 3.624 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.324 -11.847 3.711 1.00 0.00 C ATOM 1040 C TRP A 67 -4.604 -12.347 4.954 1.00 0.00 C ATOM 1041 O TRP A 67 -5.254 -12.650 5.956 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.546 -10.335 3.730 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.835 -9.742 2.384 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.947 -9.924 1.638 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.951 -8.931 1.566 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.792 -9.284 0.420 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.603 -8.608 0.344 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.638 -8.469 1.722 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.994 -7.851 -0.668 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -3.023 -7.706 0.723 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.691 -7.377 -0.466 1.00 0.00 C ATOM 0 H TRP A 67 -7.234 -12.307 4.393 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.701 -12.063 2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.375 -10.109 4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.660 -9.854 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.820 -10.481 1.944 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.481 -9.313 -0.331 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.093 -8.705 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.520 -7.637 -1.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.010 -7.362 0.871 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.208 -6.767 -1.215 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.276 -12.415 4.899 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.426 -13.071 5.883 1.00 0.00 C ATOM 1064 C HIS A 68 -1.225 -12.195 6.252 1.00 0.00 C ATOM 1065 O HIS A 68 -0.929 -11.254 5.517 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.944 -14.416 5.293 1.00 0.00 C ATOM 1067 CG HIS A 68 -2.574 -15.649 5.908 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -3.424 -15.693 6.998 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -2.247 -16.943 5.594 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -3.611 -16.983 7.317 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -2.873 -17.779 6.529 1.00 0.00 N ATOM 0 H HIS A 68 -2.744 -11.997 4.136 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.998 -13.241 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.147 -14.419 4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.863 -14.481 5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.620 -17.261 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.266 -17.333 8.101 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.785 -18.793 6.597 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.531 -12.465 7.374 1.00 0.00 N ATOM 1080 CA PRO A 69 0.581 -11.645 7.852 1.00 0.00 C ATOM 1081 C PRO A 69 1.842 -11.802 6.991 1.00 0.00 C ATOM 1082 O PRO A 69 2.298 -12.917 6.729 1.00 0.00 O ATOM 1083 CB PRO A 69 0.822 -12.109 9.292 1.00 0.00 C ATOM 1084 CG PRO A 69 0.330 -13.554 9.311 1.00 0.00 C ATOM 1085 CD PRO A 69 -0.829 -13.533 8.323 1.00 0.00 C ATOM 0 HA PRO A 69 0.341 -10.583 7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.877 -12.045 9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.274 -11.493 10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.110 -14.250 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.006 -13.857 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.925 -14.492 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.774 -13.348 8.834 1.00 0.00 H new ATOM 1093 N ALA A 70 2.462 -10.675 6.627 1.00 0.00 N ATOM 1094 CA ALA A 70 3.730 -10.612 5.896 1.00 0.00 C ATOM 1095 C ALA A 70 4.845 -9.988 6.756 1.00 0.00 C ATOM 1096 O ALA A 70 5.771 -9.374 6.221 1.00 0.00 O ATOM 1097 CB ALA A 70 3.516 -9.957 4.525 1.00 0.00 C ATOM 0 H ALA A 70 2.082 -9.753 6.840 1.00 0.00 H new ATOM 0 HA ALA A 70 4.089 -11.620 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.465 -9.915 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.800 -10.544 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.131 -8.946 4.661 1.00 0.00 H new ATOM 1103 N ALA A 71 4.750 -10.163 8.085 1.00 0.00 N ATOM 1104 CA ALA A 71 5.650 -9.647 9.123 1.00 0.00 C ATOM 1105 C ALA A 71 5.530 -8.115 9.280 1.00 0.00 C ATOM 1106 O ALA A 71 4.919 -7.456 8.434 1.00 0.00 O ATOM 1107 CB ALA A 71 7.083 -10.151 8.853 1.00 0.00 C ATOM 0 H ALA A 71 3.987 -10.708 8.488 1.00 0.00 H new ATOM 0 HA ALA A 71 5.353 -10.038 10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.754 -9.769 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.095 -11.241 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.414 -9.799 7.876 1.00 0.00 H new ATOM 1113 N PRO A 72 6.048 -7.507 10.366 1.00 0.00 N ATOM 1114 CA PRO A 72 6.170 -6.056 10.433 1.00 0.00 C ATOM 1115 C PRO A 72 7.260 -5.570 9.471 1.00 0.00 C ATOM 1116 O PRO A 72 8.006 -6.376 8.906 1.00 0.00 O ATOM 1117 CB PRO A 72 6.524 -5.738 11.885 1.00 0.00 C ATOM 1118 CG PRO A 72 7.336 -6.963 12.289 1.00 0.00 C ATOM 1119 CD PRO A 72 6.600 -8.099 11.579 1.00 0.00 C ATOM 0 HA PRO A 72 5.250 -5.552 10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.103 -4.818 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.635 -5.615 12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.374 -6.887 11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.350 -7.102 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.278 -8.919 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.811 -8.510 12.209 1.00 0.00 H new ATOM 1127 N LEU A 73 7.389 -4.256 9.316 1.00 0.00 N ATOM 1128 CA LEU A 73 8.350 -3.622 8.425 1.00 0.00 C ATOM 1129 C LEU A 73 9.156 -2.594 9.228 1.00 0.00 C ATOM 1130 O LEU A 73 8.564 -1.952 10.094 1.00 0.00 O ATOM 1131 CB LEU A 73 7.540 -2.961 7.290 1.00 0.00 C ATOM 1132 CG LEU A 73 8.271 -2.719 5.963 1.00 0.00 C ATOM 1133 CD1 LEU A 73 8.895 -3.968 5.324 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.284 -2.170 4.927 1.00 0.00 C ATOM 0 H LEU A 73 6.811 -3.585 9.822 1.00 0.00 H new ATOM 0 HA LEU A 73 9.057 -4.333 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.669 -3.584 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.169 -2.002 7.652 1.00 0.00 H new ATOM 0 HG LEU A 73 9.075 -2.029 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.388 -3.692 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.627 -4.399 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.114 -4.700 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.804 -1.998 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.481 -2.890 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.864 -1.230 5.286 1.00 0.00 H new ATOM 1146 N PRO A 74 10.461 -2.397 8.959 1.00 0.00 N ATOM 1147 CA PRO A 74 11.247 -1.341 9.590 1.00 0.00 C ATOM 1148 C PRO A 74 10.907 0.017 8.965 1.00 0.00 C ATOM 1149 O PRO A 74 10.314 0.055 7.880 1.00 0.00 O ATOM 1150 CB PRO A 74 12.704 -1.721 9.311 1.00 0.00 C ATOM 1151 CG PRO A 74 12.637 -2.437 7.972 1.00 0.00 C ATOM 1152 CD PRO A 74 11.288 -3.149 8.027 1.00 0.00 C ATOM 0 HA PRO A 74 11.047 -1.251 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.346 -0.841 9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.106 -2.367 10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.690 -1.737 7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.460 -3.141 7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.827 -3.183 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.407 -4.180 8.359 1.00 0.00 H new ATOM 1160 N PRO A 75 11.361 1.140 9.549 1.00 0.00 N ATOM 1161 CA PRO A 75 11.080 2.460 9.001 1.00 0.00 C ATOM 1162 C PRO A 75 11.682 2.668 7.607 1.00 0.00 C ATOM 1163 O PRO A 75 11.096 3.396 6.808 1.00 0.00 O ATOM 1164 CB PRO A 75 11.630 3.459 10.024 1.00 0.00 C ATOM 1165 CG PRO A 75 12.668 2.661 10.808 1.00 0.00 C ATOM 1166 CD PRO A 75 12.090 1.252 10.806 1.00 0.00 C ATOM 0 HA PRO A 75 10.009 2.594 8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.079 4.323 9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.842 3.836 10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.648 2.696 10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.792 3.045 11.821 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.879 0.503 10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.430 1.096 11.659 1.00 0.00 H new ATOM 1174 N GLU A 76 12.812 2.031 7.278 1.00 0.00 N ATOM 1175 CA GLU A 76 13.433 2.172 5.961 1.00 0.00 C ATOM 1176 C GLU A 76 12.774 1.255 4.931 1.00 0.00 C ATOM 1177 O GLU A 76 12.809 1.545 3.734 1.00 0.00 O ATOM 1178 CB GLU A 76 14.953 1.952 6.022 1.00 0.00 C ATOM 1179 CG GLU A 76 15.427 0.614 6.597 1.00 0.00 C ATOM 1180 CD GLU A 76 16.937 0.425 6.384 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.724 1.311 6.790 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.347 -0.614 5.826 1.00 0.00 O ATOM 0 H GLU A 76 13.315 1.410 7.912 1.00 0.00 H new ATOM 0 HA GLU A 76 13.270 3.199 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.353 2.050 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.390 2.753 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.198 0.571 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.884 -0.203 6.121 1.00 0.00 H new ATOM 1189 N GLY A 77 12.096 0.189 5.382 1.00 0.00 N ATOM 1190 CA GLY A 77 11.411 -0.723 4.481 1.00 0.00 C ATOM 1191 C GLY A 77 10.279 -0.039 3.704 1.00 0.00 C ATOM 1192 O GLY A 77 9.813 -0.557 2.696 1.00 0.00 O ATOM 0 H GLY A 77 12.013 -0.055 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.130 -1.142 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.003 -1.556 5.053 1.00 0.00 H new ATOM 1196 N LEU A 78 9.840 1.139 4.154 1.00 0.00 N ATOM 1197 CA LEU A 78 8.882 2.015 3.483 1.00 0.00 C ATOM 1198 C LEU A 78 9.442 2.445 2.131 1.00 0.00 C ATOM 1199 O LEU A 78 8.799 2.336 1.086 1.00 0.00 O ATOM 1200 CB LEU A 78 8.680 3.234 4.409 1.00 0.00 C ATOM 1201 CG LEU A 78 7.978 4.456 3.799 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.570 4.127 3.313 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.899 5.556 4.858 1.00 0.00 C ATOM 0 H LEU A 78 10.161 1.525 5.042 1.00 0.00 H new ATOM 0 HA LEU A 78 7.932 1.513 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.106 2.910 5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.658 3.550 4.773 1.00 0.00 H new ATOM 0 HG LEU A 78 8.557 4.783 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.113 5.021 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.621 3.350 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.969 3.774 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.402 6.431 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.333 5.195 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.906 5.828 5.176 1.00 0.00 H new ATOM 1215 N ASN A 79 10.659 2.970 2.174 1.00 0.00 N ATOM 1216 CA ASN A 79 11.322 3.641 1.072 1.00 0.00 C ATOM 1217 C ASN A 79 11.715 2.609 0.025 1.00 0.00 C ATOM 1218 O ASN A 79 11.622 2.892 -1.167 1.00 0.00 O ATOM 1219 CB ASN A 79 12.536 4.413 1.612 1.00 0.00 C ATOM 1220 CG ASN A 79 12.168 5.217 2.849 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.052 4.674 3.941 1.00 0.00 O ATOM 1222 ND2 ASN A 79 11.949 6.506 2.745 1.00 0.00 N ATOM 0 H ASN A 79 11.233 2.937 3.016 1.00 0.00 H new ATOM 0 HA ASN A 79 10.656 4.360 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.337 3.714 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.918 5.081 0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.685 7.047 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.043 6.968 1.840 1.00 0.00 H new ATOM 1229 N ASP A 80 12.072 1.401 0.471 1.00 0.00 N ATOM 1230 CA ASP A 80 12.330 0.218 -0.351 1.00 0.00 C ATOM 1231 C ASP A 80 11.183 -0.080 -1.297 1.00 0.00 C ATOM 1232 O ASP A 80 11.377 -0.370 -2.476 1.00 0.00 O ATOM 1233 CB ASP A 80 12.438 -1.001 0.564 1.00 0.00 C ATOM 1234 CG ASP A 80 12.896 -2.238 -0.197 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.077 -2.284 -0.609 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.081 -3.180 -0.361 1.00 0.00 O ATOM 0 H ASP A 80 12.195 1.214 1.466 1.00 0.00 H new ATOM 0 HA ASP A 80 13.240 0.414 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.140 -0.789 1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.470 -1.196 1.026 1.00 0.00 H new ATOM 1241 N LEU A 81 9.975 -0.078 -0.739 1.00 0.00 N ATOM 1242 CA LEU A 81 8.760 -0.297 -1.496 1.00 0.00 C ATOM 1243 C LEU A 81 8.565 0.848 -2.484 1.00 0.00 C ATOM 1244 O LEU A 81 8.504 0.609 -3.691 1.00 0.00 O ATOM 1245 CB LEU A 81 7.561 -0.466 -0.554 1.00 0.00 C ATOM 1246 CG LEU A 81 7.581 -1.741 0.311 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.229 -1.904 1.009 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.894 -3.009 -0.491 1.00 0.00 C ATOM 0 H LEU A 81 9.818 0.077 0.257 1.00 0.00 H new ATOM 0 HA LEU A 81 8.842 -1.222 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.513 0.400 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.648 -0.465 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 81 8.383 -1.618 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.242 -2.806 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.040 -1.038 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.441 -1.985 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.893 -3.871 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.137 -3.147 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.875 -2.912 -0.957 1.00 0.00 H new ATOM 1260 N ILE A 82 8.489 2.088 -1.993 1.00 0.00 N ATOM 1261 CA ILE A 82 8.209 3.259 -2.829 1.00 0.00 C ATOM 1262 C ILE A 82 9.249 3.433 -3.938 1.00 0.00 C ATOM 1263 O ILE A 82 8.907 3.958 -5.000 1.00 0.00 O ATOM 1264 CB ILE A 82 8.035 4.517 -1.945 1.00 0.00 C ATOM 1265 CG1 ILE A 82 6.723 4.399 -1.148 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.054 5.847 -2.722 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.439 4.595 -1.973 1.00 0.00 C ATOM 0 H ILE A 82 8.620 2.308 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 82 7.264 3.100 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 82 8.899 4.548 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.688 3.416 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.736 5.136 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.926 6.677 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.007 5.952 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.242 5.855 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.570 4.493 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.443 5.589 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.394 3.842 -2.760 1.00 0.00 H new ATOM 1279 N ARG A 83 10.477 2.922 -3.767 1.00 0.00 N ATOM 1280 CA ARG A 83 11.492 2.897 -4.792 1.00 0.00 C ATOM 1281 C ARG A 83 10.930 2.409 -6.125 1.00 0.00 C ATOM 1282 O ARG A 83 11.254 3.015 -7.141 1.00 0.00 O ATOM 1283 CB ARG A 83 12.679 2.032 -4.316 1.00 0.00 C ATOM 1284 CG ARG A 83 13.973 2.639 -4.852 1.00 0.00 C ATOM 1285 CD ARG A 83 15.067 1.621 -5.196 1.00 0.00 C ATOM 1286 NE ARG A 83 15.627 0.936 -4.018 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.416 -0.147 -4.066 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.725 -0.712 -5.234 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.904 -0.666 -2.947 1.00 0.00 N ATOM 0 H ARG A 83 10.784 2.509 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 83 11.849 3.913 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.704 1.991 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.567 1.008 -4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.743 3.219 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.365 3.336 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.657 0.876 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.872 2.130 -5.726 1.00 0.00 H new ATOM 0 HE ARG A 83 15.398 1.313 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.360 -0.320 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.326 -1.536 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.679 -0.241 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.504 -1.490 -2.986 1.00 0.00 H new ATOM 1303 N ALA A 84 10.059 1.392 -6.138 1.00 0.00 N ATOM 1304 CA ALA A 84 9.517 0.872 -7.385 1.00 0.00 C ATOM 1305 C ALA A 84 8.605 1.882 -8.079 1.00 0.00 C ATOM 1306 O ALA A 84 8.752 2.075 -9.287 1.00 0.00 O ATOM 1307 CB ALA A 84 8.801 -0.465 -7.164 1.00 0.00 C ATOM 0 H ALA A 84 9.720 0.920 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 84 10.361 0.694 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.407 -0.828 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.505 -1.193 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.981 -0.326 -6.460 1.00 0.00 H new ATOM 1313 N HIS A 85 7.697 2.519 -7.331 1.00 0.00 N ATOM 1314 CA HIS A 85 6.754 3.514 -7.842 1.00 0.00 C ATOM 1315 C HIS A 85 7.530 4.705 -8.402 1.00 0.00 C ATOM 1316 O HIS A 85 7.241 5.186 -9.489 1.00 0.00 O ATOM 1317 CB HIS A 85 5.786 3.946 -6.720 1.00 0.00 C ATOM 1318 CG HIS A 85 4.670 4.890 -7.132 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.315 4.614 -7.207 1.00 0.00 N ATOM 1320 CD2 HIS A 85 4.814 6.225 -7.404 1.00 0.00 C ATOM 1321 CE1 HIS A 85 2.678 5.740 -7.568 1.00 0.00 C ATOM 1322 NE2 HIS A 85 3.552 6.751 -7.690 1.00 0.00 N ATOM 0 H HIS A 85 7.597 2.351 -6.330 1.00 0.00 H new ATOM 0 HA HIS A 85 6.158 3.084 -8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.338 3.051 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.366 4.423 -5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 85 5.743 6.776 -7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.614 5.820 -7.736 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.337 7.716 -7.942 1.00 0.00 H new ATOM 1330 N CYS A 86 8.535 5.184 -7.674 1.00 0.00 N ATOM 1331 CA CYS A 86 9.320 6.326 -8.114 1.00 0.00 C ATOM 1332 C CYS A 86 10.175 5.958 -9.315 1.00 0.00 C ATOM 1333 O CYS A 86 10.215 6.723 -10.274 1.00 0.00 O ATOM 1334 CB CYS A 86 10.201 6.785 -6.949 1.00 0.00 C ATOM 1335 SG CYS A 86 9.136 7.409 -5.618 1.00 0.00 S ATOM 0 H CYS A 86 8.823 4.796 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 86 8.655 7.135 -8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 86 10.810 5.956 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.887 7.565 -7.280 1.00 0.00 H new ATOM 0 HG CYS A 86 8.202 6.541 -5.366 1.00 0.00 H new ATOM 1341 N ALA A 87 10.864 4.816 -9.282 1.00 0.00 N ATOM 1342 CA ALA A 87 11.750 4.416 -10.360 1.00 0.00 C ATOM 1343 C ALA A 87 10.975 4.229 -11.658 1.00 0.00 C ATOM 1344 O ALA A 87 11.429 4.725 -12.686 1.00 0.00 O ATOM 1345 CB ALA A 87 12.498 3.134 -9.988 1.00 0.00 C ATOM 0 H ALA A 87 10.820 4.151 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 87 12.481 5.210 -10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.158 2.847 -10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.089 3.306 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.780 2.335 -9.804 1.00 0.00 H new ATOM 1351 N THR A 88 9.816 3.564 -11.623 1.00 0.00 N ATOM 1352 CA THR A 88 9.096 3.273 -12.858 1.00 0.00 C ATOM 1353 C THR A 88 8.556 4.544 -13.527 1.00 0.00 C ATOM 1354 O THR A 88 8.226 4.478 -14.715 1.00 0.00 O ATOM 1355 CB THR A 88 8.013 2.198 -12.635 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.552 1.725 -13.882 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.784 2.646 -11.843 1.00 0.00 C ATOM 0 H THR A 88 9.368 3.225 -10.772 1.00 0.00 H new ATOM 0 HA THR A 88 9.810 2.852 -13.565 1.00 0.00 H new ATOM 0 HB THR A 88 8.513 1.434 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.659 2.426 -14.558 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.089 1.812 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.091 2.979 -10.852 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.294 3.468 -12.365 1.00 0.00 H new ATOM 1365 N LEU A 89 8.455 5.669 -12.804 1.00 0.00 N ATOM 1366 CA LEU A 89 7.813 6.888 -13.290 1.00 0.00 C ATOM 1367 C LEU A 89 8.833 8.002 -13.530 1.00 0.00 C ATOM 1368 O LEU A 89 8.704 8.737 -14.505 1.00 0.00 O ATOM 1369 CB LEU A 89 6.718 7.323 -12.300 1.00 0.00 C ATOM 1370 CG LEU A 89 5.614 6.259 -12.101 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.548 6.747 -11.127 1.00 0.00 C ATOM 1372 CD2 LEU A 89 4.956 5.807 -13.410 1.00 0.00 C ATOM 0 H LEU A 89 8.822 5.754 -11.856 1.00 0.00 H new ATOM 0 HA LEU A 89 7.348 6.680 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.177 7.545 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.262 8.247 -12.656 1.00 0.00 H new ATOM 0 HG LEU A 89 6.119 5.389 -11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.785 5.978 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.007 6.957 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.089 7.656 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.192 5.060 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.497 6.665 -13.902 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.711 5.374 -14.066 1.00 0.00 H new ATOM 1384 N GLY A 90 9.878 8.088 -12.704 1.00 0.00 N ATOM 1385 CA GLY A 90 10.930 9.098 -12.787 1.00 0.00 C ATOM 1386 C GLY A 90 10.966 10.034 -11.579 1.00 0.00 C ATOM 1387 O GLY A 90 11.546 11.123 -11.668 1.00 0.00 O ATOM 0 H GLY A 90 10.018 7.434 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.895 8.600 -12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.786 9.689 -13.692 1.00 0.00 H new ATOM 1391 N HIS A 91 10.343 9.651 -10.458 1.00 0.00 N ATOM 1392 CA HIS A 91 10.213 10.531 -9.302 1.00 0.00 C ATOM 1393 C HIS A 91 11.557 10.716 -8.579 1.00 0.00 C ATOM 1394 O HIS A 91 12.495 9.912 -8.706 1.00 0.00 O ATOM 1395 CB HIS A 91 9.129 10.042 -8.325 1.00 0.00 C ATOM 1396 CG HIS A 91 7.768 9.727 -8.880 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.234 10.183 -10.049 1.00 0.00 N flip ATOM 1398 CD2 HIS A 91 6.785 9.022 -8.223 1.00 0.00 C flip ATOM 1399 CE1 HIS A 91 5.906 9.766 -10.107 1.00 0.00 C flip ATOM 1400 NE2 HIS A 91 5.674 9.088 -8.976 1.00 0.00 N flip ATOM 0 H HIS A 91 9.921 8.731 -10.332 1.00 0.00 H new ATOM 0 HA HIS A 91 9.898 11.503 -9.682 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.504 9.145 -7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.007 10.803 -7.554 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.721 10.733 -10.757 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.888 8.511 -7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.203 9.953 -10.906 1.00 0.00 H new ATOM 1494 N HIS A 98 13.834 10.689 2.029 1.00 0.00 N ATOM 1495 CA HIS A 98 12.604 10.608 1.253 1.00 0.00 C ATOM 1496 C HIS A 98 11.336 10.810 2.091 1.00 0.00 C ATOM 1497 O HIS A 98 10.546 11.722 1.836 1.00 0.00 O ATOM 1498 CB HIS A 98 12.550 9.380 0.382 1.00 0.00 C ATOM 1499 CG HIS A 98 11.576 9.605 -0.739 1.00 0.00 C ATOM 1500 ND1 HIS A 98 11.393 8.681 -1.703 1.00 0.00 N flip ATOM 1501 CD2 HIS A 98 10.741 10.667 -1.010 1.00 0.00 C flip ATOM 1502 CE1 HIS A 98 10.491 9.173 -2.640 1.00 0.00 C flip ATOM 1503 NE2 HIS A 98 10.145 10.389 -2.192 1.00 0.00 N flip ATOM 0 HA HIS A 98 12.629 11.460 0.573 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.540 9.162 -0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.248 8.515 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.592 11.546 -0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.143 8.681 -3.537 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.513 11.023 -2.680 1.00 0.00 H new ATOM 1511 N LEU A 99 11.084 9.878 3.008 1.00 0.00 N ATOM 1512 CA LEU A 99 9.779 9.659 3.619 1.00 0.00 C ATOM 1513 C LEU A 99 10.004 9.320 5.084 1.00 0.00 C ATOM 1514 O LEU A 99 10.638 8.300 5.363 1.00 0.00 O ATOM 1515 CB LEU A 99 9.055 8.470 2.946 1.00 0.00 C ATOM 1516 CG LEU A 99 8.977 8.453 1.414 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.545 7.066 0.924 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.024 9.534 0.912 1.00 0.00 C ATOM 0 H LEU A 99 11.801 9.240 3.354 1.00 0.00 H new ATOM 0 HA LEU A 99 9.168 10.554 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.549 7.553 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.037 8.436 3.333 1.00 0.00 H new ATOM 0 HG LEU A 99 9.966 8.667 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.493 7.065 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.270 6.322 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.565 6.824 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.983 9.506 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.028 9.358 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.380 10.512 1.236 1.00 0.00 H new ATOM 1530 N HIS A 100 9.486 10.132 6.009 1.00 0.00 N ATOM 1531 CA HIS A 100 9.520 9.803 7.427 1.00 0.00 C ATOM 1532 C HIS A 100 8.583 8.633 7.740 1.00 0.00 C ATOM 1533 O HIS A 100 8.932 7.722 8.491 1.00 0.00 O ATOM 1534 CB HIS A 100 9.147 11.042 8.255 1.00 0.00 C ATOM 1535 CG HIS A 100 9.383 10.920 9.746 1.00 0.00 C ATOM 1536 ND1 HIS A 100 8.645 11.552 10.722 1.00 0.00 N ATOM 1537 CD2 HIS A 100 10.409 10.262 10.376 1.00 0.00 C ATOM 1538 CE1 HIS A 100 9.205 11.280 11.911 1.00 0.00 C ATOM 1539 NE2 HIS A 100 10.323 10.555 11.746 1.00 0.00 N ATOM 0 H HIS A 100 9.038 11.023 5.796 1.00 0.00 H new ATOM 0 HA HIS A 100 10.531 9.494 7.692 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.717 11.893 7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.094 11.267 8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.149 9.633 9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.812 11.599 12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.980 10.273 12.473 1.00 0.00 H new ATOM 1547 N SER A 101 7.387 8.658 7.159 1.00 0.00 N ATOM 1548 CA SER A 101 6.257 7.830 7.566 1.00 0.00 C ATOM 1549 C SER A 101 5.428 7.430 6.344 1.00 0.00 C ATOM 1550 O SER A 101 5.569 8.028 5.275 1.00 0.00 O ATOM 1551 CB SER A 101 5.418 8.648 8.564 1.00 0.00 C ATOM 1552 OG SER A 101 6.173 8.966 9.718 1.00 0.00 O ATOM 0 H SER A 101 7.172 9.270 6.372 1.00 0.00 H new ATOM 0 HA SER A 101 6.600 6.909 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.071 9.565 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.531 8.082 8.849 1.00 0.00 H new ATOM 0 HG SER A 101 5.620 9.487 10.337 1.00 0.00 H new ATOM 1558 N VAL A 102 4.518 6.460 6.496 1.00 0.00 N ATOM 1559 CA VAL A 102 3.516 6.147 5.472 1.00 0.00 C ATOM 1560 C VAL A 102 2.729 7.424 5.141 1.00 0.00 C ATOM 1561 O VAL A 102 2.420 7.678 3.981 1.00 0.00 O ATOM 1562 CB VAL A 102 2.616 4.974 5.941 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.443 4.699 4.990 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.445 3.692 6.097 1.00 0.00 C ATOM 0 H VAL A 102 4.456 5.873 7.328 1.00 0.00 H new ATOM 0 HA VAL A 102 3.995 5.809 4.553 1.00 0.00 H new ATOM 0 HB VAL A 102 2.199 5.276 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.851 3.868 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.816 5.588 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.827 4.446 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.799 2.879 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.896 3.432 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.230 3.854 6.836 1.00 0.00 H new ATOM 1574 N MET A 103 2.481 8.273 6.139 1.00 0.00 N ATOM 1575 CA MET A 103 1.826 9.564 5.997 1.00 0.00 C ATOM 1576 C MET A 103 2.494 10.432 4.928 1.00 0.00 C ATOM 1577 O MET A 103 1.808 11.010 4.085 1.00 0.00 O ATOM 1578 CB MET A 103 1.854 10.291 7.349 1.00 0.00 C ATOM 1579 CG MET A 103 0.622 11.167 7.565 1.00 0.00 C ATOM 1580 SD MET A 103 -0.831 10.262 8.177 1.00 0.00 S ATOM 1581 CE MET A 103 -1.843 10.165 6.676 1.00 0.00 C ATOM 0 H MET A 103 2.743 8.068 7.103 1.00 0.00 H new ATOM 0 HA MET A 103 0.798 9.390 5.679 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.920 9.557 8.152 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.750 10.909 7.408 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.870 11.957 8.274 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.365 11.653 6.624 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.837 9.797 6.931 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.926 11.155 6.228 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.375 9.484 5.965 1.00 0.00 H new ATOM 1591 N ASP A 104 3.827 10.530 4.968 1.00 0.00 N ATOM 1592 CA ASP A 104 4.614 11.311 4.010 1.00 0.00 C ATOM 1593 C ASP A 104 4.333 10.759 2.614 1.00 0.00 C ATOM 1594 O ASP A 104 4.002 11.492 1.684 1.00 0.00 O ATOM 1595 CB ASP A 104 6.141 11.220 4.265 1.00 0.00 C ATOM 1596 CG ASP A 104 6.707 12.112 5.365 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.984 12.411 6.339 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.923 12.401 5.269 1.00 0.00 O ATOM 0 H ASP A 104 4.395 10.064 5.675 1.00 0.00 H new ATOM 0 HA ASP A 104 4.325 12.357 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.384 10.185 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.656 11.459 3.335 1.00 0.00 H new ATOM 1603 N ALA A 105 4.466 9.438 2.493 1.00 0.00 N ATOM 1604 CA ALA A 105 4.406 8.705 1.244 1.00 0.00 C ATOM 1605 C ALA A 105 3.058 8.837 0.545 1.00 0.00 C ATOM 1606 O ALA A 105 3.021 9.090 -0.656 1.00 0.00 O ATOM 1607 CB ALA A 105 4.714 7.240 1.551 1.00 0.00 C ATOM 0 H ALA A 105 4.624 8.832 3.298 1.00 0.00 H new ATOM 0 HA ALA A 105 5.139 9.123 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.677 6.659 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.709 7.161 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.976 6.853 2.254 1.00 0.00 H new ATOM 1613 N ILE A 106 1.957 8.630 1.267 1.00 0.00 N ATOM 1614 CA ILE A 106 0.622 8.658 0.682 1.00 0.00 C ATOM 1615 C ILE A 106 0.395 10.035 0.040 1.00 0.00 C ATOM 1616 O ILE A 106 -0.092 10.101 -1.091 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.418 8.319 1.774 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.276 6.873 2.306 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.864 8.581 1.329 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.728 5.728 1.401 1.00 0.00 C ATOM 0 H ILE A 106 1.968 8.439 2.269 1.00 0.00 H new ATOM 0 HA ILE A 106 0.514 7.909 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.196 9.003 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.773 6.709 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.837 6.803 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.546 8.324 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.982 9.635 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.092 7.971 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.567 4.777 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.787 5.842 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.152 5.747 0.476 1.00 0.00 H new ATOM 1632 N ASP A 107 0.757 11.118 0.738 1.00 0.00 N ATOM 1633 CA ASP A 107 0.566 12.480 0.240 1.00 0.00 C ATOM 1634 C ASP A 107 1.463 12.757 -0.960 1.00 0.00 C ATOM 1635 O ASP A 107 0.991 13.312 -1.948 1.00 0.00 O ATOM 1636 CB ASP A 107 0.816 13.523 1.325 1.00 0.00 C ATOM 1637 CG ASP A 107 0.035 14.810 1.025 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.377 15.540 0.086 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.964 15.078 1.747 1.00 0.00 O ATOM 0 H ASP A 107 1.189 11.072 1.661 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.476 12.557 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.516 13.126 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.882 13.744 1.387 1.00 0.00 H new ATOM 1644 N PHE A 108 2.725 12.319 -0.878 1.00 0.00 N ATOM 1645 CA PHE A 108 3.712 12.434 -1.952 1.00 0.00 C ATOM 1646 C PHE A 108 3.128 11.909 -3.267 1.00 0.00 C ATOM 1647 O PHE A 108 3.016 12.669 -4.223 1.00 0.00 O ATOM 1648 CB PHE A 108 5.030 11.729 -1.571 1.00 0.00 C ATOM 1649 CG PHE A 108 6.112 11.778 -2.640 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.591 13.014 -3.116 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.642 10.586 -3.172 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.568 13.053 -4.127 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.588 10.628 -4.209 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.061 11.862 -4.682 1.00 0.00 C ATOM 0 H PHE A 108 3.094 11.865 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 108 3.953 13.487 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.419 12.184 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.814 10.686 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.207 13.935 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.318 9.633 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.941 14.004 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.952 9.709 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.800 11.895 -5.469 1.00 0.00 H new ATOM 1664 N LEU A 109 2.729 10.633 -3.318 1.00 0.00 N ATOM 1665 CA LEU A 109 2.064 10.013 -4.448 1.00 0.00 C ATOM 1666 C LEU A 109 0.813 10.778 -4.862 1.00 0.00 C ATOM 1667 O LEU A 109 0.636 11.040 -6.051 1.00 0.00 O ATOM 1668 CB LEU A 109 1.733 8.558 -4.089 1.00 0.00 C ATOM 1669 CG LEU A 109 2.946 7.626 -4.228 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.060 7.743 -3.192 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.478 6.167 -4.212 1.00 0.00 C ATOM 0 H LEU A 109 2.870 9.988 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 109 2.734 10.034 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.362 8.515 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.930 8.202 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 109 3.387 7.951 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.846 7.023 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.473 8.751 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.657 7.538 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.340 5.507 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.968 5.959 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.793 5.996 -5.042 1.00 0.00 H new ATOM 1683 N ASN A 110 -0.026 11.166 -3.897 1.00 0.00 N ATOM 1684 CA ASN A 110 -1.261 11.886 -4.195 1.00 0.00 C ATOM 1685 C ASN A 110 -0.979 13.222 -4.886 1.00 0.00 C ATOM 1686 O ASN A 110 -1.789 13.671 -5.691 1.00 0.00 O ATOM 1687 CB ASN A 110 -2.107 12.129 -2.929 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.119 11.021 -2.683 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -4.317 11.234 -2.805 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.669 9.827 -2.339 1.00 0.00 N ATOM 0 H ASN A 110 0.130 10.992 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.830 11.250 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.447 12.212 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.630 13.080 -3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.325 9.064 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.666 9.668 -2.242 1.00 0.00 H new ATOM 1697 N ALA A 111 0.149 13.868 -4.584 1.00 0.00 N ATOM 1698 CA ALA A 111 0.535 15.144 -5.167 1.00 0.00 C ATOM 1699 C ALA A 111 1.104 14.991 -6.589 1.00 0.00 C ATOM 1700 O ALA A 111 1.195 15.986 -7.313 1.00 0.00 O ATOM 1701 CB ALA A 111 1.558 15.806 -4.234 1.00 0.00 C ATOM 0 H ALA A 111 0.829 13.508 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.351 15.771 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.863 16.766 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.108 15.963 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.430 15.160 -4.134 1.00 0.00 H new ATOM 1707 N LEU A 112 1.534 13.787 -6.978 1.00 0.00 N ATOM 1708 CA LEU A 112 2.143 13.494 -8.273 1.00 0.00 C ATOM 1709 C LEU A 112 1.080 13.167 -9.319 1.00 0.00 C ATOM 1710 O LEU A 112 1.191 13.613 -10.463 1.00 0.00 O ATOM 1711 CB LEU A 112 3.114 12.304 -8.127 1.00 0.00 C ATOM 1712 CG LEU A 112 4.335 12.626 -7.248 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.073 11.378 -6.752 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.308 13.513 -8.016 1.00 0.00 C ATOM 0 H LEU A 112 1.464 12.965 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 112 2.688 14.377 -8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.579 11.456 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.456 11.998 -9.116 1.00 0.00 H new ATOM 0 HG LEU A 112 3.953 13.143 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.923 11.678 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.394 10.766 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.428 10.801 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.170 13.737 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.640 12.995 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.811 14.442 -8.295 1.00 0.00 H new