USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 807 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 100 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.43) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.35! C(o=-2.7!,f=-4.4!) USER MOD Set 2.2: A 55 SER OG : rot -23:sc= 0.686 USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0.0481 USER MOD Set 3.2: A 105 GLN : amide:sc= -0.353 K(o=-0.31,f=-0.95) USER MOD Single : A 3 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.31) USER MOD Single : A 5 THR OG1 : rot -150:sc= 1.26 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0698 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 45:sc= -1.93! USER MOD Single : A 25 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.6) USER MOD Single : A 26 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.18) USER MOD Single : A 27 GLN : amide:sc= 0.427 X(o=0.43,f=-0.058) USER MOD Single : A 35 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.57) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 62:sc= -0.331 USER MOD Single : A 50 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.18) USER MOD Single : A 52 SER OG : rot 90:sc= -2.02! USER MOD Single : A 62 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.9!) USER MOD Single : A 63 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.73) USER MOD Single : A 70 SER OG : rot -170:sc= -0.0163 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.898) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0974 (180deg=-0.566) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.4) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -87:sc= 0.794 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 76:sc= 0.783 USER MOD Single : A 98 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.0012) USER MOD Single : A 103 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -19.310 -6.126 0.249 1.00 54.22 N ATOM 32 CA GLN A 3 -18.434 -6.855 -0.659 1.00 41.24 C ATOM 33 C GLN A 3 -16.996 -6.725 -0.170 1.00 12.13 C ATOM 34 O GLN A 3 -16.042 -6.989 -0.900 1.00 2.02 O ATOM 35 CB GLN A 3 -18.562 -6.340 -2.098 1.00 74.23 C ATOM 36 CG GLN A 3 -18.067 -4.916 -2.302 1.00 45.13 C ATOM 37 CD GLN A 3 -17.983 -4.550 -3.769 1.00 14.34 C ATOM 38 OE1 GLN A 3 -18.753 -5.043 -4.588 1.00 60.03 O ATOM 39 NE2 GLN A 3 -17.034 -3.697 -4.116 1.00 54.41 N ATOM 0 HA GLN A 3 -18.729 -7.904 -0.665 1.00 41.24 H new ATOM 0 HB2 GLN A 3 -18.005 -7.004 -2.759 1.00 74.23 H new ATOM 0 HB3 GLN A 3 -19.608 -6.395 -2.399 1.00 74.23 H new ATOM 0 HG2 GLN A 3 -18.737 -4.223 -1.793 1.00 45.13 H new ATOM 0 HG3 GLN A 3 -17.084 -4.804 -1.844 1.00 45.13 H new ATOM 0 HE21 GLN A 3 -16.413 -3.308 -3.406 1.00 54.41 H new ATOM 0 HE22 GLN A 3 -16.923 -3.428 -5.093 1.00 54.41 H new ATOM 48 N TRP A 4 -16.872 -6.311 1.085 1.00 22.22 N ATOM 49 CA TRP A 4 -15.583 -6.152 1.746 1.00 22.44 C ATOM 50 C TRP A 4 -14.838 -7.477 1.780 1.00 2.34 C ATOM 51 O TRP A 4 -15.306 -8.445 2.383 1.00 52.01 O ATOM 52 CB TRP A 4 -15.796 -5.650 3.170 1.00 31.52 C ATOM 53 CG TRP A 4 -16.397 -4.286 3.230 1.00 32.14 C ATOM 54 CD1 TRP A 4 -17.705 -3.948 3.074 1.00 32.45 C ATOM 55 CD2 TRP A 4 -15.696 -3.075 3.466 1.00 4.22 C ATOM 56 NE1 TRP A 4 -17.859 -2.593 3.209 1.00 22.31 N ATOM 57 CE2 TRP A 4 -16.635 -2.034 3.450 1.00 61.42 C ATOM 58 CE3 TRP A 4 -14.361 -2.778 3.693 1.00 22.50 C ATOM 59 CZ2 TRP A 4 -16.275 -0.708 3.657 1.00 54.42 C ATOM 60 CZ3 TRP A 4 -13.999 -1.463 3.897 1.00 21.11 C ATOM 61 CH2 TRP A 4 -14.955 -0.442 3.879 1.00 14.11 C ATOM 0 H TRP A 4 -17.669 -6.075 1.677 1.00 22.22 H new ATOM 0 HA TRP A 4 -14.989 -5.428 1.187 1.00 22.44 H new ATOM 0 HB2 TRP A 4 -16.443 -6.348 3.701 1.00 31.52 H new ATOM 0 HB3 TRP A 4 -14.839 -5.641 3.692 1.00 31.52 H new ATOM 0 HD1 TRP A 4 -18.505 -4.645 2.873 1.00 32.45 H new ATOM 0 HE1 TRP A 4 -18.741 -2.085 3.141 1.00 22.31 H new ATOM 0 HE3 TRP A 4 -13.618 -3.562 3.710 1.00 22.50 H new ATOM 0 HZ2 TRP A 4 -17.012 0.082 3.643 1.00 54.42 H new ATOM 0 HZ3 TRP A 4 -12.962 -1.218 4.073 1.00 21.11 H new ATOM 0 HH2 TRP A 4 -14.642 0.578 4.044 1.00 14.11 H new ATOM 72 N THR A 5 -13.695 -7.517 1.125 1.00 21.01 N ATOM 73 CA THR A 5 -12.901 -8.728 1.051 1.00 54.33 C ATOM 74 C THR A 5 -11.923 -8.789 2.221 1.00 64.44 C ATOM 75 O THR A 5 -11.244 -7.803 2.522 1.00 42.32 O ATOM 76 CB THR A 5 -12.123 -8.781 -0.276 1.00 42.33 C ATOM 77 OG1 THR A 5 -12.955 -8.297 -1.339 1.00 11.53 O ATOM 78 CG2 THR A 5 -11.677 -10.203 -0.586 1.00 13.34 C ATOM 0 H THR A 5 -13.293 -6.719 0.633 1.00 21.01 H new ATOM 0 HA THR A 5 -13.574 -9.584 1.101 1.00 54.33 H new ATOM 0 HB THR A 5 -11.237 -8.153 -0.184 1.00 42.33 H new ATOM 0 HG1 THR A 5 -12.703 -8.737 -2.178 1.00 11.53 H new ATOM 0 HG21 THR A 5 -11.129 -10.215 -1.528 1.00 13.34 H new ATOM 0 HG22 THR A 5 -11.031 -10.564 0.214 1.00 13.34 H new ATOM 0 HG23 THR A 5 -12.551 -10.849 -0.666 1.00 13.34 H new ATOM 86 N THR A 6 -11.874 -9.934 2.893 1.00 0.01 N ATOM 87 CA THR A 6 -10.974 -10.116 4.020 1.00 62.42 C ATOM 88 C THR A 6 -9.537 -10.285 3.534 1.00 13.42 C ATOM 89 O THR A 6 -9.228 -11.217 2.794 1.00 13.00 O ATOM 90 CB THR A 6 -11.380 -11.342 4.863 1.00 62.30 C ATOM 91 OG1 THR A 6 -12.787 -11.295 5.140 1.00 3.20 O ATOM 92 CG2 THR A 6 -10.604 -11.379 6.172 1.00 53.14 C ATOM 0 H THR A 6 -12.448 -10.749 2.675 1.00 0.01 H new ATOM 0 HA THR A 6 -11.041 -9.225 4.644 1.00 62.42 H new ATOM 0 HB THR A 6 -11.147 -12.243 4.295 1.00 62.30 H new ATOM 0 HG1 THR A 6 -13.041 -12.076 5.674 1.00 3.20 H new ATOM 0 HG21 THR A 6 -10.907 -12.252 6.750 1.00 53.14 H new ATOM 0 HG22 THR A 6 -9.536 -11.436 5.960 1.00 53.14 H new ATOM 0 HG23 THR A 6 -10.812 -10.475 6.744 1.00 53.14 H new ATOM 100 N VAL A 7 -8.672 -9.373 3.947 1.00 13.42 N ATOM 101 CA VAL A 7 -7.284 -9.379 3.512 1.00 11.12 C ATOM 102 C VAL A 7 -6.427 -10.248 4.426 1.00 11.32 C ATOM 103 O VAL A 7 -5.976 -11.324 4.039 1.00 60.44 O ATOM 104 CB VAL A 7 -6.701 -7.952 3.496 1.00 51.11 C ATOM 105 CG1 VAL A 7 -5.290 -7.953 2.931 1.00 70.43 C ATOM 106 CG2 VAL A 7 -7.599 -7.014 2.706 1.00 65.33 C ATOM 0 H VAL A 7 -8.908 -8.615 4.587 1.00 13.42 H new ATOM 0 HA VAL A 7 -7.268 -9.788 2.502 1.00 11.12 H new ATOM 0 HB VAL A 7 -6.654 -7.591 4.524 1.00 51.11 H new ATOM 0 HG11 VAL A 7 -4.898 -6.936 2.929 1.00 70.43 H new ATOM 0 HG12 VAL A 7 -4.652 -8.587 3.547 1.00 70.43 H new ATOM 0 HG13 VAL A 7 -5.307 -8.337 1.911 1.00 70.43 H new ATOM 0 HG21 VAL A 7 -7.169 -6.012 2.707 1.00 65.33 H new ATOM 0 HG22 VAL A 7 -7.685 -7.371 1.680 1.00 65.33 H new ATOM 0 HG23 VAL A 7 -8.588 -6.985 3.164 1.00 65.33 H new ATOM 116 N CYS A 8 -6.221 -9.772 5.645 1.00 14.24 N ATOM 117 CA CYS A 8 -5.333 -10.426 6.592 1.00 74.43 C ATOM 118 C CYS A 8 -5.654 -9.938 8.000 1.00 0.22 C ATOM 119 O CYS A 8 -6.583 -9.154 8.188 1.00 12.22 O ATOM 120 CB CYS A 8 -3.873 -10.113 6.227 1.00 52.45 C ATOM 121 SG CYS A 8 -2.637 -11.044 7.165 1.00 41.54 S ATOM 0 H CYS A 8 -6.663 -8.925 6.004 1.00 14.24 H new ATOM 0 HA CYS A 8 -5.475 -11.506 6.553 1.00 74.43 H new ATOM 0 HB2 CYS A 8 -3.728 -10.313 5.165 1.00 52.45 H new ATOM 0 HB3 CYS A 8 -3.696 -9.048 6.378 1.00 52.45 H new ATOM 0 HG CYS A 8 -1.446 -10.701 6.773 1.00 41.54 H new ATOM 127 N LYS A 9 -4.897 -10.397 8.980 1.00 53.54 N ATOM 128 CA LYS A 9 -5.096 -9.974 10.356 1.00 43.05 C ATOM 129 C LYS A 9 -4.322 -8.693 10.640 1.00 54.30 C ATOM 130 O LYS A 9 -3.211 -8.511 10.145 1.00 13.11 O ATOM 131 CB LYS A 9 -4.635 -11.069 11.321 1.00 51.10 C ATOM 132 CG LYS A 9 -5.420 -12.367 11.206 1.00 0.43 C ATOM 133 CD LYS A 9 -4.798 -13.469 12.052 1.00 10.00 C ATOM 134 CE LYS A 9 -4.827 -13.135 13.536 1.00 62.13 C ATOM 135 NZ LYS A 9 -4.119 -14.161 14.345 1.00 74.10 N ATOM 0 H LYS A 9 -4.137 -11.064 8.849 1.00 53.54 H new ATOM 0 HA LYS A 9 -6.160 -9.788 10.502 1.00 43.05 H new ATOM 0 HB2 LYS A 9 -3.580 -11.277 11.141 1.00 51.10 H new ATOM 0 HB3 LYS A 9 -4.716 -10.697 12.342 1.00 51.10 H new ATOM 0 HG2 LYS A 9 -6.450 -12.201 11.523 1.00 0.43 H new ATOM 0 HG3 LYS A 9 -5.454 -12.682 10.163 1.00 0.43 H new ATOM 0 HD2 LYS A 9 -5.333 -14.403 11.880 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.767 -13.629 11.737 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.365 -12.161 13.699 1.00 62.13 H new ATOM 0 HE3 LYS A 9 -5.861 -13.057 13.871 1.00 62.13 H new ATOM 0 HZ1 LYS A 9 -4.160 -13.899 15.351 1.00 74.10 H new ATOM 0 HZ2 LYS A 9 -4.575 -15.086 14.209 1.00 74.10 H new ATOM 0 HZ3 LYS A 9 -3.126 -14.217 14.042 1.00 74.10 H new ATOM 149 N LEU A 10 -4.903 -7.821 11.459 1.00 4.24 N ATOM 150 CA LEU A 10 -4.244 -6.583 11.866 1.00 73.43 C ATOM 151 C LEU A 10 -3.033 -6.896 12.748 1.00 14.14 C ATOM 152 O LEU A 10 -2.177 -6.047 12.991 1.00 21.55 O ATOM 153 CB LEU A 10 -5.238 -5.698 12.625 1.00 32.15 C ATOM 154 CG LEU A 10 -4.701 -4.341 13.080 1.00 53.04 C ATOM 155 CD1 LEU A 10 -4.340 -3.479 11.882 1.00 31.13 C ATOM 156 CD2 LEU A 10 -5.720 -3.635 13.963 1.00 74.35 C ATOM 0 H LEU A 10 -5.834 -7.950 11.856 1.00 4.24 H new ATOM 0 HA LEU A 10 -3.899 -6.052 10.979 1.00 73.43 H new ATOM 0 HB2 LEU A 10 -6.107 -5.530 11.988 1.00 32.15 H new ATOM 0 HB3 LEU A 10 -5.586 -6.243 13.502 1.00 32.15 H new ATOM 0 HG LEU A 10 -3.796 -4.507 13.665 1.00 53.04 H new ATOM 0 HD11 LEU A 10 -3.960 -2.517 12.227 1.00 31.13 H new ATOM 0 HD12 LEU A 10 -3.574 -3.981 11.290 1.00 31.13 H new ATOM 0 HD13 LEU A 10 -5.226 -3.320 11.268 1.00 31.13 H new ATOM 0 HD21 LEU A 10 -5.322 -2.670 14.278 1.00 74.35 H new ATOM 0 HD22 LEU A 10 -6.642 -3.481 13.403 1.00 74.35 H new ATOM 0 HD23 LEU A 10 -5.926 -4.247 14.841 1.00 74.35 H new ATOM 168 N ASP A 11 -2.963 -8.140 13.186 1.00 75.30 N ATOM 169 CA ASP A 11 -1.934 -8.594 14.111 1.00 52.45 C ATOM 170 C ASP A 11 -0.621 -8.875 13.376 1.00 11.42 C ATOM 171 O ASP A 11 0.445 -8.947 13.985 1.00 72.23 O ATOM 172 CB ASP A 11 -2.437 -9.851 14.830 1.00 22.11 C ATOM 173 CG ASP A 11 -1.457 -10.406 15.843 1.00 64.43 C ATOM 174 OD1 ASP A 11 -1.058 -9.662 16.762 1.00 2.25 O ATOM 175 OD2 ASP A 11 -1.122 -11.606 15.745 1.00 22.03 O ATOM 0 H ASP A 11 -3.621 -8.869 12.910 1.00 75.30 H new ATOM 0 HA ASP A 11 -1.734 -7.811 14.842 1.00 52.45 H new ATOM 0 HB2 ASP A 11 -3.375 -9.620 15.334 1.00 22.11 H new ATOM 0 HB3 ASP A 11 -2.655 -10.620 14.089 1.00 22.11 H new ATOM 180 N ASP A 12 -0.703 -9.013 12.057 1.00 51.54 N ATOM 181 CA ASP A 12 0.479 -9.298 11.246 1.00 63.34 C ATOM 182 C ASP A 12 0.893 -8.060 10.451 1.00 11.44 C ATOM 183 O ASP A 12 1.961 -8.020 9.839 1.00 51.53 O ATOM 184 CB ASP A 12 0.198 -10.472 10.302 1.00 33.45 C ATOM 185 CG ASP A 12 1.445 -10.978 9.593 1.00 54.00 C ATOM 186 OD1 ASP A 12 2.285 -11.629 10.248 1.00 62.21 O ATOM 187 OD2 ASP A 12 1.577 -10.748 8.371 1.00 41.33 O ATOM 0 H ASP A 12 -1.571 -8.933 11.527 1.00 51.54 H new ATOM 0 HA ASP A 12 1.301 -9.570 11.908 1.00 63.34 H new ATOM 0 HB2 ASP A 12 -0.247 -11.289 10.870 1.00 33.45 H new ATOM 0 HB3 ASP A 12 -0.537 -10.164 9.558 1.00 33.45 H new ATOM 192 N ILE A 13 0.041 -7.040 10.475 1.00 11.42 N ATOM 193 CA ILE A 13 0.308 -5.806 9.741 1.00 61.02 C ATOM 194 C ILE A 13 1.365 -4.968 10.460 1.00 4.44 C ATOM 195 O ILE A 13 1.233 -4.672 11.650 1.00 53.32 O ATOM 196 CB ILE A 13 -0.978 -4.966 9.552 1.00 14.42 C ATOM 197 CG1 ILE A 13 -2.069 -5.804 8.875 1.00 12.34 C ATOM 198 CG2 ILE A 13 -0.694 -3.709 8.736 1.00 15.14 C ATOM 199 CD1 ILE A 13 -1.685 -6.319 7.503 1.00 10.01 C ATOM 0 H ILE A 13 -0.838 -7.042 10.993 1.00 11.42 H new ATOM 0 HA ILE A 13 0.681 -6.091 8.757 1.00 61.02 H new ATOM 0 HB ILE A 13 -1.330 -4.660 10.537 1.00 14.42 H new ATOM 0 HG12 ILE A 13 -2.312 -6.652 9.516 1.00 12.34 H new ATOM 0 HG13 ILE A 13 -2.973 -5.202 8.786 1.00 12.34 H new ATOM 0 HG21 ILE A 13 -1.614 -3.136 8.618 1.00 15.14 H new ATOM 0 HG22 ILE A 13 0.048 -3.100 9.252 1.00 15.14 H new ATOM 0 HG23 ILE A 13 -0.313 -3.991 7.754 1.00 15.14 H new ATOM 0 HD11 ILE A 13 -2.508 -6.902 7.090 1.00 10.01 H new ATOM 0 HD12 ILE A 13 -1.471 -5.477 6.845 1.00 10.01 H new ATOM 0 HD13 ILE A 13 -0.799 -6.949 7.586 1.00 10.01 H new ATOM 211 N LEU A 14 2.408 -4.591 9.730 1.00 61.54 N ATOM 212 CA LEU A 14 3.527 -3.855 10.301 1.00 1.41 C ATOM 213 C LEU A 14 3.130 -2.425 10.672 1.00 30.35 C ATOM 214 O LEU A 14 2.423 -1.748 9.923 1.00 64.32 O ATOM 215 CB LEU A 14 4.695 -3.840 9.315 1.00 52.31 C ATOM 216 CG LEU A 14 5.215 -5.220 8.901 1.00 41.43 C ATOM 217 CD1 LEU A 14 6.377 -5.086 7.925 1.00 24.32 C ATOM 218 CD2 LEU A 14 5.637 -6.018 10.126 1.00 11.51 C ATOM 0 H LEU A 14 2.501 -4.786 8.733 1.00 61.54 H new ATOM 0 HA LEU A 14 3.831 -4.361 11.217 1.00 1.41 H new ATOM 0 HB2 LEU A 14 4.387 -3.302 8.419 1.00 52.31 H new ATOM 0 HB3 LEU A 14 5.517 -3.277 9.758 1.00 52.31 H new ATOM 0 HG LEU A 14 4.408 -5.755 8.400 1.00 41.43 H new ATOM 0 HD11 LEU A 14 6.732 -6.077 7.643 1.00 24.32 H new ATOM 0 HD12 LEU A 14 6.044 -4.553 7.034 1.00 24.32 H new ATOM 0 HD13 LEU A 14 7.187 -4.532 8.398 1.00 24.32 H new ATOM 0 HD21 LEU A 14 6.004 -6.996 9.814 1.00 11.51 H new ATOM 0 HD22 LEU A 14 6.428 -5.485 10.653 1.00 11.51 H new ATOM 0 HD23 LEU A 14 4.782 -6.146 10.789 1.00 11.51 H new ATOM 230 N PRO A 15 3.579 -1.954 11.845 1.00 40.00 N ATOM 231 CA PRO A 15 3.269 -0.616 12.342 1.00 33.30 C ATOM 232 C PRO A 15 4.135 0.466 11.698 1.00 71.42 C ATOM 233 O PRO A 15 5.363 0.369 11.680 1.00 15.41 O ATOM 234 CB PRO A 15 3.567 -0.706 13.849 1.00 65.55 C ATOM 235 CG PRO A 15 3.999 -2.117 14.112 1.00 12.12 C ATOM 236 CD PRO A 15 4.421 -2.689 12.791 1.00 23.45 C ATOM 0 HA PRO A 15 2.241 -0.334 12.112 1.00 33.30 H new ATOM 0 HB2 PRO A 15 4.349 -0.001 14.133 1.00 65.55 H new ATOM 0 HB3 PRO A 15 2.683 -0.455 14.435 1.00 65.55 H new ATOM 0 HG2 PRO A 15 4.822 -2.144 14.826 1.00 12.12 H new ATOM 0 HG3 PRO A 15 3.184 -2.698 14.543 1.00 12.12 H new ATOM 0 HD2 PRO A 15 5.482 -2.529 12.600 1.00 23.45 H new ATOM 0 HD3 PRO A 15 4.247 -3.764 12.740 1.00 23.45 H new ATOM 244 N GLY A 16 3.483 1.491 11.168 1.00 70.03 N ATOM 245 CA GLY A 16 4.183 2.619 10.593 1.00 71.01 C ATOM 246 C GLY A 16 4.560 2.392 9.145 1.00 23.03 C ATOM 247 O GLY A 16 5.481 3.030 8.637 1.00 70.21 O ATOM 0 H GLY A 16 2.466 1.560 11.127 1.00 70.03 H new ATOM 0 HA2 GLY A 16 3.556 3.507 10.666 1.00 71.01 H new ATOM 0 HA3 GLY A 16 5.085 2.817 11.173 1.00 71.01 H new ATOM 251 N THR A 17 3.838 1.506 8.463 1.00 54.35 N ATOM 252 CA THR A 17 4.216 1.118 7.107 1.00 3.22 C ATOM 253 C THR A 17 3.012 0.660 6.299 1.00 51.14 C ATOM 254 O THR A 17 1.936 0.433 6.849 1.00 63.15 O ATOM 255 CB THR A 17 5.270 -0.010 7.122 1.00 12.10 C ATOM 256 OG1 THR A 17 5.080 -0.830 8.280 1.00 21.35 O ATOM 257 CG2 THR A 17 6.688 0.548 7.111 1.00 55.24 C ATOM 0 H THR A 17 2.999 1.049 8.821 1.00 54.35 H new ATOM 0 HA THR A 17 4.642 2.004 6.636 1.00 3.22 H new ATOM 0 HB THR A 17 5.139 -0.607 6.220 1.00 12.10 H new ATOM 0 HG1 THR A 17 5.749 -1.546 8.287 1.00 21.35 H new ATOM 0 HG21 THR A 17 7.403 -0.275 7.122 1.00 55.24 H new ATOM 0 HG22 THR A 17 6.837 1.146 6.212 1.00 55.24 H new ATOM 0 HG23 THR A 17 6.840 1.173 7.991 1.00 55.24 H new ATOM 265 N GLY A 18 3.202 0.537 4.994 1.00 25.14 N ATOM 266 CA GLY A 18 2.151 0.048 4.131 1.00 3.43 C ATOM 267 C GLY A 18 2.633 -1.103 3.274 1.00 31.32 C ATOM 268 O GLY A 18 3.780 -1.100 2.821 1.00 43.24 O ATOM 0 H GLY A 18 4.073 0.769 4.516 1.00 25.14 H new ATOM 0 HA2 GLY A 18 1.303 -0.276 4.735 1.00 3.43 H new ATOM 0 HA3 GLY A 18 1.797 0.857 3.492 1.00 3.43 H new ATOM 272 N VAL A 19 1.778 -2.091 3.056 1.00 72.23 N ATOM 273 CA VAL A 19 2.162 -3.265 2.278 1.00 43.24 C ATOM 274 C VAL A 19 1.177 -3.543 1.148 1.00 54.14 C ATOM 275 O VAL A 19 -0.032 -3.392 1.322 1.00 43.21 O ATOM 276 CB VAL A 19 2.298 -4.526 3.165 1.00 24.35 C ATOM 277 CG1 VAL A 19 3.473 -4.387 4.120 1.00 61.22 C ATOM 278 CG2 VAL A 19 1.013 -4.784 3.941 1.00 50.52 C ATOM 0 H VAL A 19 0.819 -2.106 3.403 1.00 72.23 H new ATOM 0 HA VAL A 19 3.136 -3.036 1.845 1.00 43.24 H new ATOM 0 HB VAL A 19 2.482 -5.379 2.512 1.00 24.35 H new ATOM 0 HG11 VAL A 19 3.551 -5.284 4.734 1.00 61.22 H new ATOM 0 HG12 VAL A 19 4.392 -4.257 3.549 1.00 61.22 H new ATOM 0 HG13 VAL A 19 3.319 -3.520 4.762 1.00 61.22 H new ATOM 0 HG21 VAL A 19 1.133 -5.675 4.557 1.00 50.52 H new ATOM 0 HG22 VAL A 19 0.795 -3.928 4.580 1.00 50.52 H new ATOM 0 HG23 VAL A 19 0.190 -4.934 3.242 1.00 50.52 H new ATOM 288 N CYS A 20 1.704 -3.916 -0.018 1.00 13.34 N ATOM 289 CA CYS A 20 0.875 -4.296 -1.147 1.00 22.31 C ATOM 290 C CYS A 20 0.199 -5.639 -0.885 1.00 34.40 C ATOM 291 O CYS A 20 0.812 -6.697 -1.036 1.00 13.14 O ATOM 292 CB CYS A 20 1.725 -4.365 -2.416 1.00 53.21 C ATOM 293 SG CYS A 20 3.242 -5.331 -2.231 1.00 4.23 S ATOM 0 H CYS A 20 2.707 -3.961 -0.199 1.00 13.34 H new ATOM 0 HA CYS A 20 0.098 -3.543 -1.283 1.00 22.31 H new ATOM 0 HB2 CYS A 20 1.127 -4.796 -3.219 1.00 53.21 H new ATOM 0 HB3 CYS A 20 1.986 -3.352 -2.722 1.00 53.21 H new ATOM 0 HG CYS A 20 2.977 -6.440 -1.607 1.00 4.23 H new ATOM 299 N ALA A 21 -1.052 -5.588 -0.468 1.00 20.33 N ATOM 300 CA ALA A 21 -1.810 -6.791 -0.181 1.00 21.05 C ATOM 301 C ALA A 21 -2.464 -7.322 -1.447 1.00 52.34 C ATOM 302 O ALA A 21 -3.079 -6.565 -2.202 1.00 24.13 O ATOM 303 CB ALA A 21 -2.858 -6.509 0.881 1.00 24.53 C ATOM 0 H ALA A 21 -1.567 -4.720 -0.320 1.00 20.33 H new ATOM 0 HA ALA A 21 -1.127 -7.552 0.197 1.00 21.05 H new ATOM 0 HB1 ALA A 21 -3.421 -7.419 1.088 1.00 24.53 H new ATOM 0 HB2 ALA A 21 -2.369 -6.169 1.794 1.00 24.53 H new ATOM 0 HB3 ALA A 21 -3.538 -5.735 0.525 1.00 24.53 H new ATOM 309 N LEU A 22 -2.316 -8.618 -1.683 1.00 72.22 N ATOM 310 CA LEU A 22 -2.914 -9.254 -2.845 1.00 34.43 C ATOM 311 C LEU A 22 -4.338 -9.683 -2.510 1.00 33.40 C ATOM 312 O LEU A 22 -4.557 -10.697 -1.848 1.00 1.20 O ATOM 313 CB LEU A 22 -2.061 -10.455 -3.295 1.00 52.34 C ATOM 314 CG LEU A 22 -2.339 -11.001 -4.706 1.00 50.42 C ATOM 315 CD1 LEU A 22 -3.630 -11.807 -4.751 1.00 20.20 C ATOM 316 CD2 LEU A 22 -2.391 -9.864 -5.714 1.00 11.43 C ATOM 0 H LEU A 22 -1.785 -9.250 -1.083 1.00 72.22 H new ATOM 0 HA LEU A 22 -2.949 -8.545 -3.672 1.00 34.43 H new ATOM 0 HB2 LEU A 22 -1.011 -10.168 -3.241 1.00 52.34 H new ATOM 0 HB3 LEU A 22 -2.207 -11.265 -2.580 1.00 52.34 H new ATOM 0 HG LEU A 22 -1.520 -11.671 -4.968 1.00 50.42 H new ATOM 0 HD11 LEU A 22 -3.793 -12.176 -5.763 1.00 20.20 H new ATOM 0 HD12 LEU A 22 -3.557 -12.650 -4.064 1.00 20.20 H new ATOM 0 HD13 LEU A 22 -4.466 -11.172 -4.457 1.00 20.20 H new ATOM 0 HD21 LEU A 22 -2.588 -10.267 -6.707 1.00 11.43 H new ATOM 0 HD22 LEU A 22 -3.186 -9.170 -5.439 1.00 11.43 H new ATOM 0 HD23 LEU A 22 -1.436 -9.338 -5.719 1.00 11.43 H new ATOM 328 N VAL A 23 -5.298 -8.885 -2.947 1.00 51.42 N ATOM 329 CA VAL A 23 -6.700 -9.159 -2.684 1.00 15.52 C ATOM 330 C VAL A 23 -7.459 -9.304 -3.994 1.00 53.42 C ATOM 331 O VAL A 23 -7.574 -8.340 -4.748 1.00 2.22 O ATOM 332 CB VAL A 23 -7.342 -8.028 -1.853 1.00 13.01 C ATOM 333 CG1 VAL A 23 -8.764 -8.391 -1.463 1.00 12.20 C ATOM 334 CG2 VAL A 23 -6.507 -7.717 -0.620 1.00 54.25 C ATOM 0 H VAL A 23 -5.130 -8.037 -3.489 1.00 51.42 H new ATOM 0 HA VAL A 23 -6.756 -10.088 -2.117 1.00 15.52 H new ATOM 0 HB VAL A 23 -7.375 -7.131 -2.471 1.00 13.01 H new ATOM 0 HG11 VAL A 23 -9.199 -7.581 -0.878 1.00 12.20 H new ATOM 0 HG12 VAL A 23 -9.359 -8.549 -2.363 1.00 12.20 H new ATOM 0 HG13 VAL A 23 -8.756 -9.304 -0.868 1.00 12.20 H new ATOM 0 HG21 VAL A 23 -6.981 -6.917 -0.052 1.00 54.25 H new ATOM 0 HG22 VAL A 23 -6.431 -8.608 0.003 1.00 54.25 H new ATOM 0 HG23 VAL A 23 -5.509 -7.403 -0.926 1.00 54.25 H new ATOM 344 N GLU A 24 -7.939 -10.518 -4.279 1.00 32.24 N ATOM 345 CA GLU A 24 -8.717 -10.786 -5.499 1.00 15.12 C ATOM 346 C GLU A 24 -7.905 -10.521 -6.760 1.00 71.13 C ATOM 347 O GLU A 24 -8.455 -10.337 -7.849 1.00 2.22 O ATOM 348 CB GLU A 24 -9.961 -9.928 -5.525 1.00 13.20 C ATOM 349 CG GLU A 24 -11.124 -10.497 -4.730 1.00 1.11 C ATOM 350 CD GLU A 24 -12.370 -9.642 -4.820 1.00 24.32 C ATOM 351 OE1 GLU A 24 -12.801 -9.331 -5.951 1.00 60.31 O ATOM 352 OE2 GLU A 24 -12.936 -9.297 -3.762 1.00 24.23 O ATOM 0 H GLU A 24 -7.804 -11.334 -3.682 1.00 32.24 H new ATOM 0 HA GLU A 24 -8.990 -11.841 -5.481 1.00 15.12 H new ATOM 0 HB2 GLU A 24 -9.716 -8.940 -5.134 1.00 13.20 H new ATOM 0 HB3 GLU A 24 -10.274 -9.792 -6.560 1.00 13.20 H new ATOM 0 HG2 GLU A 24 -11.350 -11.500 -5.093 1.00 1.11 H new ATOM 0 HG3 GLU A 24 -10.831 -10.595 -3.685 1.00 1.11 H new ATOM 359 N GLN A 25 -6.603 -10.504 -6.569 1.00 31.02 N ATOM 360 CA GLN A 25 -5.610 -10.266 -7.624 1.00 25.15 C ATOM 361 C GLN A 25 -5.447 -8.777 -7.904 1.00 70.55 C ATOM 362 O GLN A 25 -4.939 -8.374 -8.948 1.00 41.11 O ATOM 363 CB GLN A 25 -5.931 -11.044 -8.909 1.00 54.13 C ATOM 364 CG GLN A 25 -5.704 -12.541 -8.771 1.00 14.53 C ATOM 365 CD GLN A 25 -4.290 -12.870 -8.327 1.00 3.42 C ATOM 366 OE1 GLN A 25 -3.349 -12.138 -8.611 1.00 23.03 O ATOM 367 NE2 GLN A 25 -4.127 -13.979 -7.637 1.00 54.34 N ATOM 0 H GLN A 25 -6.182 -10.659 -5.653 1.00 31.02 H new ATOM 0 HA GLN A 25 -4.657 -10.644 -7.254 1.00 25.15 H new ATOM 0 HB2 GLN A 25 -6.970 -10.864 -9.186 1.00 54.13 H new ATOM 0 HB3 GLN A 25 -5.313 -10.662 -9.722 1.00 54.13 H new ATOM 0 HG2 GLN A 25 -6.413 -12.949 -8.051 1.00 14.53 H new ATOM 0 HG3 GLN A 25 -5.905 -13.026 -9.726 1.00 14.53 H new ATOM 0 HE21 GLN A 25 -4.932 -14.566 -7.417 1.00 54.34 H new ATOM 0 HE22 GLN A 25 -3.196 -14.251 -7.322 1.00 54.34 H new ATOM 376 N GLN A 26 -5.864 -7.966 -6.945 1.00 52.20 N ATOM 377 CA GLN A 26 -5.585 -6.543 -6.964 1.00 4.14 C ATOM 378 C GLN A 26 -4.650 -6.209 -5.807 1.00 11.24 C ATOM 379 O GLN A 26 -4.812 -6.739 -4.707 1.00 42.20 O ATOM 380 CB GLN A 26 -6.891 -5.741 -6.868 1.00 35.34 C ATOM 381 CG GLN A 26 -6.702 -4.236 -6.708 1.00 42.52 C ATOM 382 CD GLN A 26 -5.826 -3.614 -7.781 1.00 32.04 C ATOM 383 OE1 GLN A 26 -5.150 -2.619 -7.539 1.00 33.32 O ATOM 384 NE2 GLN A 26 -5.823 -4.195 -8.971 1.00 62.42 N ATOM 0 H GLN A 26 -6.403 -8.276 -6.136 1.00 52.20 H new ATOM 0 HA GLN A 26 -5.102 -6.273 -7.903 1.00 4.14 H new ATOM 0 HB2 GLN A 26 -7.482 -5.926 -7.765 1.00 35.34 H new ATOM 0 HB3 GLN A 26 -7.469 -6.113 -6.022 1.00 35.34 H new ATOM 0 HG2 GLN A 26 -7.679 -3.752 -6.723 1.00 42.52 H new ATOM 0 HG3 GLN A 26 -6.262 -4.036 -5.731 1.00 42.52 H new ATOM 0 HE21 GLN A 26 -6.398 -5.021 -9.137 1.00 62.42 H new ATOM 0 HE22 GLN A 26 -5.246 -3.816 -9.722 1.00 62.42 H new ATOM 393 N GLN A 27 -3.662 -5.361 -6.059 1.00 72.45 N ATOM 394 CA GLN A 27 -2.690 -5.004 -5.034 1.00 54.33 C ATOM 395 C GLN A 27 -3.030 -3.666 -4.398 1.00 74.14 C ATOM 396 O GLN A 27 -2.895 -2.613 -5.021 1.00 25.22 O ATOM 397 CB GLN A 27 -1.278 -4.955 -5.612 1.00 62.13 C ATOM 398 CG GLN A 27 -0.749 -6.309 -6.052 1.00 64.44 C ATOM 399 CD GLN A 27 0.708 -6.255 -6.460 1.00 23.20 C ATOM 400 OE1 GLN A 27 1.034 -6.036 -7.626 1.00 30.20 O ATOM 401 NE2 GLN A 27 1.599 -6.452 -5.501 1.00 44.13 N ATOM 0 H GLN A 27 -3.512 -4.909 -6.961 1.00 72.45 H new ATOM 0 HA GLN A 27 -2.730 -5.776 -4.266 1.00 54.33 H new ATOM 0 HB2 GLN A 27 -1.268 -4.277 -6.465 1.00 62.13 H new ATOM 0 HB3 GLN A 27 -0.604 -4.537 -4.864 1.00 62.13 H new ATOM 0 HG2 GLN A 27 -0.869 -7.025 -5.239 1.00 64.44 H new ATOM 0 HG3 GLN A 27 -1.344 -6.674 -6.889 1.00 64.44 H new ATOM 0 HE21 GLN A 27 1.289 -6.631 -4.546 1.00 44.13 H new ATOM 0 HE22 GLN A 27 2.595 -6.425 -5.717 1.00 44.13 H new ATOM 410 N ILE A 28 -3.473 -3.718 -3.156 1.00 51.51 N ATOM 411 CA ILE A 28 -3.796 -2.515 -2.409 1.00 15.43 C ATOM 412 C ILE A 28 -2.785 -2.335 -1.282 1.00 50.10 C ATOM 413 O ILE A 28 -2.510 -3.271 -0.533 1.00 44.32 O ATOM 414 CB ILE A 28 -5.227 -2.567 -1.812 1.00 71.10 C ATOM 415 CG1 ILE A 28 -6.273 -2.928 -2.874 1.00 64.30 C ATOM 416 CG2 ILE A 28 -5.584 -1.239 -1.172 1.00 3.54 C ATOM 417 CD1 ILE A 28 -6.481 -4.418 -3.051 1.00 35.20 C ATOM 0 H ILE A 28 -3.618 -4.586 -2.640 1.00 51.51 H new ATOM 0 HA ILE A 28 -3.754 -1.673 -3.100 1.00 15.43 H new ATOM 0 HB ILE A 28 -5.233 -3.348 -1.052 1.00 71.10 H new ATOM 0 HG12 ILE A 28 -7.224 -2.468 -2.604 1.00 64.30 H new ATOM 0 HG13 ILE A 28 -5.970 -2.498 -3.829 1.00 64.30 H new ATOM 0 HG21 ILE A 28 -6.591 -1.293 -0.758 1.00 3.54 H new ATOM 0 HG22 ILE A 28 -4.875 -1.018 -0.374 1.00 3.54 H new ATOM 0 HG23 ILE A 28 -5.542 -0.450 -1.923 1.00 3.54 H new ATOM 0 HD11 ILE A 28 -7.235 -4.591 -3.819 1.00 35.20 H new ATOM 0 HD12 ILE A 28 -5.542 -4.883 -3.353 1.00 35.20 H new ATOM 0 HD13 ILE A 28 -6.815 -4.853 -2.109 1.00 35.20 H new ATOM 429 N ALA A 29 -2.226 -1.143 -1.172 1.00 34.25 N ATOM 430 CA ALA A 29 -1.226 -0.861 -0.154 1.00 24.04 C ATOM 431 C ALA A 29 -1.901 -0.484 1.154 1.00 74.03 C ATOM 432 O ALA A 29 -2.563 0.549 1.249 1.00 53.14 O ATOM 433 CB ALA A 29 -0.291 0.246 -0.614 1.00 54.24 C ATOM 0 H ALA A 29 -2.447 -0.352 -1.776 1.00 34.25 H new ATOM 0 HA ALA A 29 -0.632 -1.760 0.009 1.00 24.04 H new ATOM 0 HB1 ALA A 29 0.450 0.442 0.161 1.00 54.24 H new ATOM 0 HB2 ALA A 29 0.215 -0.062 -1.529 1.00 54.24 H new ATOM 0 HB3 ALA A 29 -0.866 1.152 -0.804 1.00 54.24 H new ATOM 439 N VAL A 30 -1.741 -1.330 2.155 1.00 1.45 N ATOM 440 CA VAL A 30 -2.395 -1.118 3.438 1.00 41.30 C ATOM 441 C VAL A 30 -1.452 -0.419 4.401 1.00 72.33 C ATOM 442 O VAL A 30 -0.539 -1.034 4.949 1.00 14.53 O ATOM 443 CB VAL A 30 -2.867 -2.449 4.064 1.00 60.14 C ATOM 444 CG1 VAL A 30 -3.680 -2.195 5.323 1.00 55.24 C ATOM 445 CG2 VAL A 30 -3.664 -3.269 3.059 1.00 63.24 C ATOM 0 H VAL A 30 -1.165 -2.170 2.107 1.00 1.45 H new ATOM 0 HA VAL A 30 -3.269 -0.493 3.257 1.00 41.30 H new ATOM 0 HB VAL A 30 -1.984 -3.024 4.342 1.00 60.14 H new ATOM 0 HG11 VAL A 30 -4.002 -3.146 5.746 1.00 55.24 H new ATOM 0 HG12 VAL A 30 -3.067 -1.663 6.051 1.00 55.24 H new ATOM 0 HG13 VAL A 30 -4.555 -1.594 5.076 1.00 55.24 H new ATOM 0 HG21 VAL A 30 -3.985 -4.201 3.523 1.00 63.24 H new ATOM 0 HG22 VAL A 30 -4.539 -2.703 2.739 1.00 63.24 H new ATOM 0 HG23 VAL A 30 -3.039 -3.491 2.194 1.00 63.24 H new ATOM 455 N PHE A 31 -1.666 0.872 4.574 1.00 62.11 N ATOM 456 CA PHE A 31 -0.884 1.667 5.500 1.00 11.32 C ATOM 457 C PHE A 31 -1.369 1.441 6.918 1.00 20.24 C ATOM 458 O PHE A 31 -2.563 1.540 7.193 1.00 30.22 O ATOM 459 CB PHE A 31 -1.004 3.160 5.177 1.00 55.34 C ATOM 460 CG PHE A 31 -0.367 3.577 3.886 1.00 25.21 C ATOM 461 CD1 PHE A 31 -0.997 3.342 2.675 1.00 21.35 C ATOM 462 CD2 PHE A 31 0.857 4.223 3.888 1.00 52.34 C ATOM 463 CE1 PHE A 31 -0.414 3.740 1.490 1.00 55.34 C ATOM 464 CE2 PHE A 31 1.442 4.625 2.707 1.00 61.44 C ATOM 465 CZ PHE A 31 0.805 4.383 1.505 1.00 22.30 C ATOM 0 H PHE A 31 -2.385 1.397 4.077 1.00 62.11 H new ATOM 0 HA PHE A 31 0.157 1.360 5.405 1.00 11.32 H new ATOM 0 HB2 PHE A 31 -2.060 3.427 5.148 1.00 55.34 H new ATOM 0 HB3 PHE A 31 -0.553 3.730 5.989 1.00 55.34 H new ATOM 0 HD1 PHE A 31 -1.954 2.842 2.658 1.00 21.35 H new ATOM 0 HD2 PHE A 31 1.359 4.414 4.825 1.00 52.34 H new ATOM 0 HE1 PHE A 31 -0.912 3.548 0.551 1.00 55.34 H new ATOM 0 HE2 PHE A 31 2.397 5.129 2.721 1.00 61.44 H new ATOM 0 HZ PHE A 31 1.262 4.697 0.578 1.00 22.30 H new ATOM 475 N ARG A 32 -0.455 1.126 7.809 1.00 71.22 N ATOM 476 CA ARG A 32 -0.767 1.118 9.221 1.00 13.14 C ATOM 477 C ARG A 32 0.005 2.235 9.901 1.00 75.43 C ATOM 478 O ARG A 32 1.086 2.012 10.423 1.00 52.20 O ATOM 479 CB ARG A 32 -0.448 -0.236 9.865 1.00 15.32 C ATOM 480 CG ARG A 32 -1.059 -0.390 11.248 1.00 4.12 C ATOM 481 CD ARG A 32 -0.702 -1.719 11.897 1.00 73.31 C ATOM 482 NE ARG A 32 -1.368 -1.878 13.193 1.00 70.53 N ATOM 483 CZ ARG A 32 -1.112 -2.862 14.059 1.00 22.12 C ATOM 484 NH1 ARG A 32 -0.187 -3.775 13.788 1.00 53.11 N ATOM 485 NH2 ARG A 32 -1.790 -2.936 15.198 1.00 32.32 N ATOM 0 H ARG A 32 0.507 0.873 7.582 1.00 71.22 H new ATOM 0 HA ARG A 32 -1.837 1.281 9.346 1.00 13.14 H new ATOM 0 HB2 ARG A 32 -0.814 -1.035 9.220 1.00 15.32 H new ATOM 0 HB3 ARG A 32 0.633 -0.354 9.936 1.00 15.32 H new ATOM 0 HG2 ARG A 32 -0.718 0.426 11.886 1.00 4.12 H new ATOM 0 HG3 ARG A 32 -2.143 -0.305 11.174 1.00 4.12 H new ATOM 0 HD2 ARG A 32 -0.989 -2.537 11.236 1.00 73.31 H new ATOM 0 HD3 ARG A 32 0.378 -1.782 12.031 1.00 73.31 H new ATOM 0 HE ARG A 32 -2.075 -1.190 13.451 1.00 70.53 H new ATOM 0 HH11 ARG A 32 0.335 -3.728 12.913 1.00 53.11 H new ATOM 0 HH12 ARG A 32 0.002 -4.523 14.455 1.00 53.11 H new ATOM 0 HH21 ARG A 32 -2.506 -2.242 15.411 1.00 32.32 H new ATOM 0 HH22 ARG A 32 -1.595 -3.687 15.860 1.00 32.32 H new ATOM 499 N PRO A 33 -0.533 3.467 9.879 1.00 14.22 N ATOM 500 CA PRO A 33 0.174 4.649 10.384 1.00 43.11 C ATOM 501 C PRO A 33 0.414 4.575 11.885 1.00 0.22 C ATOM 502 O PRO A 33 1.413 5.082 12.397 1.00 73.20 O ATOM 503 CB PRO A 33 -0.763 5.818 10.044 1.00 22.01 C ATOM 504 CG PRO A 33 -1.730 5.270 9.047 1.00 64.43 C ATOM 505 CD PRO A 33 -1.870 3.812 9.371 1.00 21.13 C ATOM 0 HA PRO A 33 1.164 4.748 9.938 1.00 43.11 H new ATOM 0 HB2 PRO A 33 -1.278 6.181 10.933 1.00 22.01 H new ATOM 0 HB3 PRO A 33 -0.208 6.660 9.632 1.00 22.01 H new ATOM 0 HG2 PRO A 33 -2.691 5.779 9.114 1.00 64.43 H new ATOM 0 HG3 PRO A 33 -1.365 5.411 8.030 1.00 64.43 H new ATOM 0 HD2 PRO A 33 -2.645 3.635 10.117 1.00 21.13 H new ATOM 0 HD3 PRO A 33 -2.134 3.225 8.491 1.00 21.13 H new ATOM 513 N ARG A 34 -0.505 3.932 12.582 1.00 24.30 N ATOM 514 CA ARG A 34 -0.378 3.743 14.015 1.00 4.32 C ATOM 515 C ARG A 34 -0.094 2.284 14.323 1.00 1.43 C ATOM 516 O ARG A 34 -0.291 1.417 13.477 1.00 1.10 O ATOM 517 CB ARG A 34 -1.659 4.168 14.735 1.00 70.11 C ATOM 518 CG ARG A 34 -1.972 5.647 14.617 1.00 10.33 C ATOM 519 CD ARG A 34 -3.243 6.002 15.366 1.00 73.44 C ATOM 520 NE ARG A 34 -3.583 7.416 15.235 1.00 0.51 N ATOM 521 CZ ARG A 34 -4.704 7.959 15.702 1.00 2.44 C ATOM 522 NH1 ARG A 34 -5.597 7.210 16.341 1.00 44.13 N ATOM 523 NH2 ARG A 34 -4.931 9.255 15.531 1.00 50.41 N ATOM 0 H ARG A 34 -1.351 3.531 12.177 1.00 24.30 H new ATOM 0 HA ARG A 34 0.448 4.362 14.366 1.00 4.32 H new ATOM 0 HB2 ARG A 34 -2.496 3.597 14.333 1.00 70.11 H new ATOM 0 HB3 ARG A 34 -1.574 3.908 15.790 1.00 70.11 H new ATOM 0 HG2 ARG A 34 -1.140 6.230 15.012 1.00 10.33 H new ATOM 0 HG3 ARG A 34 -2.079 5.916 13.566 1.00 10.33 H new ATOM 0 HD2 ARG A 34 -4.066 5.396 14.989 1.00 73.44 H new ATOM 0 HD3 ARG A 34 -3.122 5.755 16.421 1.00 73.44 H new ATOM 0 HE ARG A 34 -2.920 8.025 14.756 1.00 0.51 H new ATOM 0 HH11 ARG A 34 -5.424 6.214 16.475 1.00 44.13 H new ATOM 0 HH12 ARG A 34 -6.455 7.632 16.697 1.00 44.13 H new ATOM 0 HH21 ARG A 34 -4.247 9.832 15.042 1.00 50.41 H new ATOM 0 HH22 ARG A 34 -5.790 9.674 15.888 1.00 50.41 H new ATOM 537 N ASN A 35 0.354 2.021 15.533 1.00 61.20 N ATOM 538 CA ASN A 35 0.549 0.656 15.998 1.00 1.44 C ATOM 539 C ASN A 35 -0.729 0.188 16.686 1.00 61.31 C ATOM 540 O ASN A 35 -0.786 -0.872 17.308 1.00 63.14 O ATOM 541 CB ASN A 35 1.739 0.608 16.961 1.00 12.12 C ATOM 542 CG ASN A 35 2.127 -0.797 17.379 1.00 12.13 C ATOM 543 OD1 ASN A 35 1.959 -1.756 16.626 1.00 25.11 O ATOM 544 ND2 ASN A 35 2.658 -0.926 18.584 1.00 51.41 N ATOM 0 H ASN A 35 0.592 2.737 16.219 1.00 61.20 H new ATOM 0 HA ASN A 35 0.764 -0.006 15.159 1.00 1.44 H new ATOM 0 HB2 ASN A 35 2.597 1.087 16.489 1.00 12.12 H new ATOM 0 HB3 ASN A 35 1.499 1.189 17.851 1.00 12.12 H new ATOM 0 HD21 ASN A 35 2.945 -1.846 18.919 1.00 51.41 H new ATOM 0 HD22 ASN A 35 2.780 -0.106 19.178 1.00 51.41 H new ATOM 551 N ASP A 36 -1.770 0.995 16.528 1.00 72.40 N ATOM 552 CA ASP A 36 -3.033 0.788 17.215 1.00 3.11 C ATOM 553 C ASP A 36 -4.034 0.016 16.354 1.00 14.23 C ATOM 554 O ASP A 36 -3.850 -1.173 16.095 1.00 5.34 O ATOM 555 CB ASP A 36 -3.627 2.134 17.637 1.00 65.44 C ATOM 556 CG ASP A 36 -2.896 2.768 18.802 1.00 42.41 C ATOM 557 OD1 ASP A 36 -1.784 3.304 18.601 1.00 14.22 O ATOM 558 OD2 ASP A 36 -3.439 2.739 19.926 1.00 70.34 O ATOM 0 H ASP A 36 -1.760 1.812 15.918 1.00 72.40 H new ATOM 0 HA ASP A 36 -2.831 0.185 18.101 1.00 3.11 H new ATOM 0 HB2 ASP A 36 -3.605 2.816 16.787 1.00 65.44 H new ATOM 0 HB3 ASP A 36 -4.674 1.994 17.906 1.00 65.44 H new ATOM 563 N GLU A 37 -5.076 0.703 15.889 1.00 52.11 N ATOM 564 CA GLU A 37 -6.195 0.038 15.228 1.00 21.53 C ATOM 565 C GLU A 37 -6.339 0.454 13.762 1.00 52.24 C ATOM 566 O GLU A 37 -6.124 -0.354 12.861 1.00 14.11 O ATOM 567 CB GLU A 37 -7.489 0.346 15.992 1.00 43.14 C ATOM 568 CG GLU A 37 -8.738 -0.290 15.397 1.00 74.51 C ATOM 569 CD GLU A 37 -9.989 0.057 16.177 1.00 51.14 C ATOM 570 OE1 GLU A 37 -10.294 -0.644 17.167 1.00 65.30 O ATOM 571 OE2 GLU A 37 -10.676 1.034 15.814 1.00 43.23 O ATOM 0 H GLU A 37 -5.168 1.717 15.958 1.00 52.11 H new ATOM 0 HA GLU A 37 -5.997 -1.034 15.236 1.00 21.53 H new ATOM 0 HB2 GLU A 37 -7.378 0.006 17.022 1.00 43.14 H new ATOM 0 HB3 GLU A 37 -7.628 1.427 16.026 1.00 43.14 H new ATOM 0 HG2 GLU A 37 -8.854 0.039 14.364 1.00 74.51 H new ATOM 0 HG3 GLU A 37 -8.616 -1.373 15.374 1.00 74.51 H new ATOM 578 N GLN A 38 -6.692 1.718 13.538 1.00 1.14 N ATOM 579 CA GLN A 38 -7.048 2.199 12.201 1.00 41.14 C ATOM 580 C GLN A 38 -5.914 2.045 11.187 1.00 41.12 C ATOM 581 O GLN A 38 -4.769 2.429 11.441 1.00 43.25 O ATOM 582 CB GLN A 38 -7.495 3.661 12.258 1.00 25.10 C ATOM 583 CG GLN A 38 -8.924 3.841 12.749 1.00 3.23 C ATOM 584 CD GLN A 38 -9.940 3.196 11.824 1.00 71.31 C ATOM 585 OE1 GLN A 38 -10.303 2.032 11.996 1.00 35.53 O ATOM 586 NE2 GLN A 38 -10.405 3.943 10.833 1.00 10.14 N ATOM 0 H GLN A 38 -6.740 2.431 14.266 1.00 1.14 H new ATOM 0 HA GLN A 38 -7.872 1.572 11.860 1.00 41.14 H new ATOM 0 HB2 GLN A 38 -6.822 4.213 12.914 1.00 25.10 H new ATOM 0 HB3 GLN A 38 -7.403 4.100 11.264 1.00 25.10 H new ATOM 0 HG2 GLN A 38 -9.020 3.410 13.746 1.00 3.23 H new ATOM 0 HG3 GLN A 38 -9.143 4.905 12.839 1.00 3.23 H new ATOM 0 HE21 GLN A 38 -10.080 4.904 10.723 1.00 10.14 H new ATOM 0 HE22 GLN A 38 -11.088 3.557 10.181 1.00 10.14 H new ATOM 595 N VAL A 39 -6.266 1.481 10.036 1.00 45.22 N ATOM 596 CA VAL A 39 -5.351 1.332 8.912 1.00 5.03 C ATOM 597 C VAL A 39 -5.953 1.971 7.666 1.00 72.11 C ATOM 598 O VAL A 39 -7.130 2.333 7.657 1.00 65.04 O ATOM 599 CB VAL A 39 -5.035 -0.151 8.616 1.00 42.44 C ATOM 600 CG1 VAL A 39 -4.250 -0.767 9.757 1.00 21.04 C ATOM 601 CG2 VAL A 39 -6.312 -0.939 8.359 1.00 70.43 C ATOM 0 H VAL A 39 -7.200 1.113 9.857 1.00 45.22 H new ATOM 0 HA VAL A 39 -4.420 1.831 9.182 1.00 5.03 H new ATOM 0 HB VAL A 39 -4.424 -0.193 7.714 1.00 42.44 H new ATOM 0 HG11 VAL A 39 -4.037 -1.812 9.530 1.00 21.04 H new ATOM 0 HG12 VAL A 39 -3.313 -0.226 9.888 1.00 21.04 H new ATOM 0 HG13 VAL A 39 -4.835 -0.707 10.675 1.00 21.04 H new ATOM 0 HG21 VAL A 39 -6.062 -1.980 8.153 1.00 70.43 H new ATOM 0 HG22 VAL A 39 -6.955 -0.887 9.238 1.00 70.43 H new ATOM 0 HG23 VAL A 39 -6.835 -0.515 7.502 1.00 70.43 H new ATOM 611 N TYR A 40 -5.148 2.110 6.624 1.00 74.42 N ATOM 612 CA TYR A 40 -5.600 2.720 5.381 1.00 42.23 C ATOM 613 C TYR A 40 -5.088 1.955 4.173 1.00 30.35 C ATOM 614 O TYR A 40 -3.917 2.057 3.818 1.00 42.11 O ATOM 615 CB TYR A 40 -5.120 4.168 5.288 1.00 41.13 C ATOM 616 CG TYR A 40 -5.796 5.108 6.262 1.00 60.44 C ATOM 617 CD1 TYR A 40 -7.091 5.556 6.037 1.00 3.24 C ATOM 618 CD2 TYR A 40 -5.137 5.545 7.405 1.00 12.24 C ATOM 619 CE1 TYR A 40 -7.711 6.415 6.923 1.00 24.22 C ATOM 620 CE2 TYR A 40 -5.752 6.404 8.297 1.00 23.34 C ATOM 621 CZ TYR A 40 -7.039 6.835 8.052 1.00 51.41 C ATOM 622 OH TYR A 40 -7.655 7.691 8.937 1.00 44.10 O ATOM 0 H TYR A 40 -4.174 1.807 6.614 1.00 74.42 H new ATOM 0 HA TYR A 40 -6.690 2.692 5.384 1.00 42.23 H new ATOM 0 HB2 TYR A 40 -4.044 4.194 5.462 1.00 41.13 H new ATOM 0 HB3 TYR A 40 -5.288 4.531 4.274 1.00 41.13 H new ATOM 0 HD1 TYR A 40 -7.622 5.228 5.155 1.00 3.24 H new ATOM 0 HD2 TYR A 40 -4.129 5.209 7.599 1.00 12.24 H new ATOM 0 HE1 TYR A 40 -8.718 6.756 6.733 1.00 24.22 H new ATOM 0 HE2 TYR A 40 -5.227 6.736 9.181 1.00 23.34 H new ATOM 0 HH TYR A 40 -7.046 7.888 9.679 1.00 44.10 H new ATOM 632 N ALA A 41 -5.960 1.191 3.543 1.00 25.23 N ATOM 633 CA ALA A 41 -5.588 0.465 2.342 1.00 60.52 C ATOM 634 C ALA A 41 -6.008 1.229 1.092 1.00 41.44 C ATOM 635 O ALA A 41 -7.193 1.323 0.771 1.00 55.42 O ATOM 636 CB ALA A 41 -6.195 -0.925 2.348 1.00 61.14 C ATOM 0 H ALA A 41 -6.926 1.057 3.840 1.00 25.23 H new ATOM 0 HA ALA A 41 -4.503 0.366 2.329 1.00 60.52 H new ATOM 0 HB1 ALA A 41 -5.904 -1.453 1.440 1.00 61.14 H new ATOM 0 HB2 ALA A 41 -5.836 -1.475 3.218 1.00 61.14 H new ATOM 0 HB3 ALA A 41 -7.281 -0.847 2.391 1.00 61.14 H new ATOM 642 N ILE A 42 -5.023 1.776 0.396 1.00 51.04 N ATOM 643 CA ILE A 42 -5.258 2.518 -0.834 1.00 5.25 C ATOM 644 C ILE A 42 -4.340 1.993 -1.932 1.00 61.21 C ATOM 645 O ILE A 42 -3.345 1.327 -1.645 1.00 74.22 O ATOM 646 CB ILE A 42 -5.013 4.033 -0.645 1.00 22.43 C ATOM 647 CG1 ILE A 42 -3.583 4.286 -0.151 1.00 71.04 C ATOM 648 CG2 ILE A 42 -6.034 4.622 0.321 1.00 13.31 C ATOM 649 CD1 ILE A 42 -3.238 5.754 -0.006 1.00 33.40 C ATOM 0 H ILE A 42 -4.041 1.719 0.666 1.00 51.04 H new ATOM 0 HA ILE A 42 -6.302 2.376 -1.114 1.00 5.25 H new ATOM 0 HB ILE A 42 -5.133 4.528 -1.609 1.00 22.43 H new ATOM 0 HG12 ILE A 42 -3.449 3.794 0.812 1.00 71.04 H new ATOM 0 HG13 ILE A 42 -2.881 3.824 -0.846 1.00 71.04 H new ATOM 0 HG21 ILE A 42 -5.847 5.689 0.442 1.00 13.31 H new ATOM 0 HG22 ILE A 42 -7.038 4.473 -0.075 1.00 13.31 H new ATOM 0 HG23 ILE A 42 -5.948 4.126 1.288 1.00 13.31 H new ATOM 0 HD11 ILE A 42 -2.212 5.853 0.347 1.00 33.40 H new ATOM 0 HD12 ILE A 42 -3.339 6.249 -0.972 1.00 33.40 H new ATOM 0 HD13 ILE A 42 -3.915 6.218 0.711 1.00 33.40 H new ATOM 661 N SER A 43 -4.664 2.275 -3.184 1.00 23.25 N ATOM 662 CA SER A 43 -3.828 1.832 -4.292 1.00 64.41 C ATOM 663 C SER A 43 -2.555 2.668 -4.388 1.00 74.11 C ATOM 664 O SER A 43 -2.433 3.544 -5.243 1.00 71.35 O ATOM 665 CB SER A 43 -4.601 1.895 -5.604 1.00 20.02 C ATOM 666 OG SER A 43 -5.732 1.046 -5.563 1.00 20.41 O ATOM 0 H SER A 43 -5.492 2.804 -3.459 1.00 23.25 H new ATOM 0 HA SER A 43 -3.542 0.797 -4.103 1.00 64.41 H new ATOM 0 HB2 SER A 43 -4.917 2.920 -5.796 1.00 20.02 H new ATOM 0 HB3 SER A 43 -3.951 1.602 -6.429 1.00 20.02 H new ATOM 0 HG SER A 43 -6.336 1.340 -4.850 1.00 20.41 H new ATOM 672 N ASN A 44 -1.625 2.397 -3.488 1.00 4.44 N ATOM 673 CA ASN A 44 -0.351 3.105 -3.448 1.00 53.44 C ATOM 674 C ASN A 44 0.768 2.161 -3.866 1.00 60.35 C ATOM 675 O ASN A 44 1.546 1.676 -3.044 1.00 10.02 O ATOM 676 CB ASN A 44 -0.106 3.680 -2.047 1.00 40.02 C ATOM 677 CG ASN A 44 1.160 4.514 -1.949 1.00 31.03 C ATOM 678 OD1 ASN A 44 2.219 4.016 -1.575 1.00 22.12 O ATOM 679 ND2 ASN A 44 1.056 5.794 -2.273 1.00 63.13 N ATOM 0 H ASN A 44 -1.728 1.684 -2.766 1.00 4.44 H new ATOM 0 HA ASN A 44 -0.375 3.941 -4.147 1.00 53.44 H new ATOM 0 HB2 ASN A 44 -0.960 4.294 -1.760 1.00 40.02 H new ATOM 0 HB3 ASN A 44 -0.048 2.860 -1.331 1.00 40.02 H new ATOM 0 HD21 ASN A 44 1.873 6.402 -2.216 1.00 63.13 H new ATOM 0 HD22 ASN A 44 0.159 6.171 -2.579 1.00 63.13 H new ATOM 686 N ILE A 45 0.805 1.865 -5.154 1.00 23.35 N ATOM 687 CA ILE A 45 1.755 0.915 -5.706 1.00 74.45 C ATOM 688 C ILE A 45 2.496 1.546 -6.873 1.00 62.45 C ATOM 689 O ILE A 45 1.879 2.163 -7.743 1.00 71.43 O ATOM 690 CB ILE A 45 1.038 -0.364 -6.198 1.00 70.32 C ATOM 691 CG1 ILE A 45 0.181 -0.975 -5.083 1.00 1.10 C ATOM 692 CG2 ILE A 45 2.043 -1.382 -6.715 1.00 12.54 C ATOM 693 CD1 ILE A 45 0.968 -1.395 -3.861 1.00 71.20 C ATOM 0 H ILE A 45 0.178 2.276 -5.846 1.00 23.35 H new ATOM 0 HA ILE A 45 2.458 0.645 -4.918 1.00 74.45 H new ATOM 0 HB ILE A 45 0.379 -0.083 -7.020 1.00 70.32 H new ATOM 0 HG12 ILE A 45 -0.577 -0.251 -4.783 1.00 1.10 H new ATOM 0 HG13 ILE A 45 -0.346 -1.843 -5.479 1.00 1.10 H new ATOM 0 HG21 ILE A 45 1.516 -2.273 -7.056 1.00 12.54 H new ATOM 0 HG22 ILE A 45 2.602 -0.952 -7.546 1.00 12.54 H new ATOM 0 HG23 ILE A 45 2.732 -1.652 -5.915 1.00 12.54 H new ATOM 0 HD11 ILE A 45 0.290 -1.817 -3.119 1.00 71.20 H new ATOM 0 HD12 ILE A 45 1.708 -2.144 -4.144 1.00 71.20 H new ATOM 0 HD13 ILE A 45 1.474 -0.527 -3.438 1.00 71.20 H new ATOM 705 N ASP A 46 3.810 1.399 -6.889 1.00 31.35 N ATOM 706 CA ASP A 46 4.613 1.948 -7.970 1.00 21.42 C ATOM 707 C ASP A 46 4.711 0.937 -9.103 1.00 45.34 C ATOM 708 O ASP A 46 5.116 -0.207 -8.883 1.00 23.23 O ATOM 709 CB ASP A 46 6.011 2.314 -7.475 1.00 3.00 C ATOM 710 CG ASP A 46 6.754 3.194 -8.459 1.00 64.05 C ATOM 711 OD1 ASP A 46 7.204 2.681 -9.503 1.00 23.34 O ATOM 712 OD2 ASP A 46 6.878 4.407 -8.196 1.00 64.31 O ATOM 0 H ASP A 46 4.342 0.907 -6.171 1.00 31.35 H new ATOM 0 HA ASP A 46 4.130 2.855 -8.335 1.00 21.42 H new ATOM 0 HB2 ASP A 46 5.932 2.829 -6.517 1.00 3.00 H new ATOM 0 HB3 ASP A 46 6.583 1.403 -7.301 1.00 3.00 H new ATOM 717 N PRO A 47 4.347 1.347 -10.330 1.00 50.41 N ATOM 718 CA PRO A 47 4.311 0.455 -11.500 1.00 33.25 C ATOM 719 C PRO A 47 5.684 -0.091 -11.889 1.00 55.22 C ATOM 720 O PRO A 47 5.786 -1.002 -12.713 1.00 40.30 O ATOM 721 CB PRO A 47 3.757 1.346 -12.619 1.00 31.01 C ATOM 722 CG PRO A 47 4.032 2.740 -12.175 1.00 65.21 C ATOM 723 CD PRO A 47 3.935 2.719 -10.676 1.00 51.20 C ATOM 0 HA PRO A 47 3.710 -0.432 -11.298 1.00 33.25 H new ATOM 0 HB2 PRO A 47 4.243 1.132 -13.571 1.00 31.01 H new ATOM 0 HB3 PRO A 47 2.689 1.181 -12.762 1.00 31.01 H new ATOM 0 HG2 PRO A 47 5.021 3.065 -12.498 1.00 65.21 H new ATOM 0 HG3 PRO A 47 3.311 3.436 -12.604 1.00 65.21 H new ATOM 0 HD2 PRO A 47 4.589 3.463 -10.220 1.00 51.20 H new ATOM 0 HD3 PRO A 47 2.922 2.933 -10.335 1.00 51.20 H new ATOM 731 N PHE A 48 6.738 0.457 -11.304 1.00 14.11 N ATOM 732 CA PHE A 48 8.085 -0.004 -11.603 1.00 63.14 C ATOM 733 C PHE A 48 8.479 -1.170 -10.696 1.00 10.41 C ATOM 734 O PHE A 48 9.426 -1.900 -10.992 1.00 33.14 O ATOM 735 CB PHE A 48 9.084 1.150 -11.456 1.00 14.42 C ATOM 736 CG PHE A 48 10.489 0.793 -11.859 1.00 55.41 C ATOM 737 CD1 PHE A 48 10.826 0.656 -13.198 1.00 62.30 C ATOM 738 CD2 PHE A 48 11.471 0.594 -10.901 1.00 22.52 C ATOM 739 CE1 PHE A 48 12.116 0.328 -13.572 1.00 5.43 C ATOM 740 CE2 PHE A 48 12.761 0.264 -11.271 1.00 11.10 C ATOM 741 CZ PHE A 48 13.083 0.130 -12.607 1.00 24.04 C ATOM 0 H PHE A 48 6.688 1.216 -10.624 1.00 14.11 H new ATOM 0 HA PHE A 48 8.104 -0.358 -12.634 1.00 63.14 H new ATOM 0 HB2 PHE A 48 8.745 1.991 -12.061 1.00 14.42 H new ATOM 0 HB3 PHE A 48 9.088 1.485 -10.419 1.00 14.42 H new ATOM 0 HD1 PHE A 48 10.072 0.807 -13.957 1.00 62.30 H new ATOM 0 HD2 PHE A 48 11.225 0.698 -9.854 1.00 22.52 H new ATOM 0 HE1 PHE A 48 12.367 0.227 -14.618 1.00 5.43 H new ATOM 0 HE2 PHE A 48 13.517 0.111 -10.515 1.00 11.10 H new ATOM 0 HZ PHE A 48 14.091 -0.129 -12.897 1.00 24.04 H new ATOM 751 N ALA A 49 7.741 -1.362 -9.609 1.00 15.21 N ATOM 752 CA ALA A 49 8.108 -2.374 -8.624 1.00 33.14 C ATOM 753 C ALA A 49 6.949 -3.306 -8.294 1.00 24.12 C ATOM 754 O ALA A 49 7.168 -4.448 -7.894 1.00 61.32 O ATOM 755 CB ALA A 49 8.625 -1.708 -7.357 1.00 14.33 C ATOM 0 H ALA A 49 6.895 -0.838 -9.388 1.00 15.21 H new ATOM 0 HA ALA A 49 8.898 -2.984 -9.063 1.00 33.14 H new ATOM 0 HB1 ALA A 49 8.896 -2.472 -6.629 1.00 14.33 H new ATOM 0 HB2 ALA A 49 9.502 -1.106 -7.594 1.00 14.33 H new ATOM 0 HB3 ALA A 49 7.848 -1.068 -6.939 1.00 14.33 H new ATOM 761 N GLN A 50 5.720 -2.812 -8.453 1.00 71.13 N ATOM 762 CA GLN A 50 4.515 -3.583 -8.137 1.00 2.41 C ATOM 763 C GLN A 50 4.473 -3.959 -6.654 1.00 45.23 C ATOM 764 O GLN A 50 3.973 -5.020 -6.277 1.00 43.21 O ATOM 765 CB GLN A 50 4.411 -4.836 -9.014 1.00 13.22 C ATOM 766 CG GLN A 50 3.548 -4.643 -10.255 1.00 12.55 C ATOM 767 CD GLN A 50 4.097 -3.611 -11.226 1.00 0.35 C ATOM 768 OE1 GLN A 50 3.339 -2.914 -11.898 1.00 43.12 O ATOM 769 NE2 GLN A 50 5.410 -3.529 -11.338 1.00 63.24 N ATOM 0 H GLN A 50 5.532 -1.872 -8.802 1.00 71.13 H new ATOM 0 HA GLN A 50 3.655 -2.948 -8.351 1.00 2.41 H new ATOM 0 HB2 GLN A 50 5.412 -5.138 -9.321 1.00 13.22 H new ATOM 0 HB3 GLN A 50 4.000 -5.652 -8.420 1.00 13.22 H new ATOM 0 HG2 GLN A 50 3.450 -5.598 -10.771 1.00 12.55 H new ATOM 0 HG3 GLN A 50 2.546 -4.343 -9.947 1.00 12.55 H new ATOM 0 HE21 GLN A 50 6.009 -4.123 -10.764 1.00 63.24 H new ATOM 0 HE22 GLN A 50 5.825 -2.872 -11.998 1.00 63.24 H new ATOM 778 N ALA A 51 4.979 -3.056 -5.826 1.00 42.01 N ATOM 779 CA ALA A 51 4.989 -3.230 -4.381 1.00 53.25 C ATOM 780 C ALA A 51 4.759 -1.888 -3.714 1.00 30.30 C ATOM 781 O ALA A 51 4.797 -0.843 -4.373 1.00 50.52 O ATOM 782 CB ALA A 51 6.311 -3.830 -3.928 1.00 3.43 C ATOM 0 H ALA A 51 5.396 -2.179 -6.139 1.00 42.01 H new ATOM 0 HA ALA A 51 4.191 -3.915 -4.095 1.00 53.25 H new ATOM 0 HB1 ALA A 51 6.302 -3.954 -2.845 1.00 3.43 H new ATOM 0 HB2 ALA A 51 6.452 -4.801 -4.403 1.00 3.43 H new ATOM 0 HB3 ALA A 51 7.128 -3.166 -4.211 1.00 3.43 H new ATOM 788 N SER A 52 4.534 -1.911 -2.414 1.00 72.25 N ATOM 789 CA SER A 52 4.256 -0.704 -1.660 1.00 2.24 C ATOM 790 C SER A 52 5.547 0.041 -1.325 1.00 11.31 C ATOM 791 O SER A 52 5.787 0.420 -0.177 1.00 52.40 O ATOM 792 CB SER A 52 3.504 -1.084 -0.392 1.00 5.30 C ATOM 793 OG SER A 52 4.149 -2.160 0.270 1.00 43.30 O ATOM 0 H SER A 52 4.539 -2.763 -1.853 1.00 72.25 H new ATOM 0 HA SER A 52 3.643 -0.033 -2.261 1.00 2.24 H new ATOM 0 HB2 SER A 52 3.446 -0.223 0.274 1.00 5.30 H new ATOM 0 HB3 SER A 52 2.480 -1.364 -0.640 1.00 5.30 H new ATOM 0 HG SER A 52 4.808 -1.807 0.904 1.00 43.30 H new ATOM 799 N VAL A 53 6.367 0.277 -2.342 1.00 53.14 N ATOM 800 CA VAL A 53 7.641 0.958 -2.148 1.00 2.05 C ATOM 801 C VAL A 53 7.411 2.443 -1.900 1.00 24.14 C ATOM 802 O VAL A 53 8.269 3.143 -1.368 1.00 35.44 O ATOM 803 CB VAL A 53 8.591 0.773 -3.351 1.00 75.13 C ATOM 804 CG1 VAL A 53 8.975 -0.692 -3.508 1.00 51.10 C ATOM 805 CG2 VAL A 53 7.960 1.304 -4.633 1.00 52.10 C ATOM 0 H VAL A 53 6.173 0.008 -3.307 1.00 53.14 H new ATOM 0 HA VAL A 53 8.117 0.507 -1.277 1.00 2.05 H new ATOM 0 HB VAL A 53 9.496 1.349 -3.159 1.00 75.13 H new ATOM 0 HG11 VAL A 53 9.645 -0.803 -4.361 1.00 51.10 H new ATOM 0 HG12 VAL A 53 9.478 -1.035 -2.604 1.00 51.10 H new ATOM 0 HG13 VAL A 53 8.077 -1.288 -3.672 1.00 51.10 H new ATOM 0 HG21 VAL A 53 8.650 1.161 -5.464 1.00 52.10 H new ATOM 0 HG22 VAL A 53 7.034 0.765 -4.833 1.00 52.10 H new ATOM 0 HG23 VAL A 53 7.744 2.366 -4.519 1.00 52.10 H new ATOM 815 N LEU A 54 6.229 2.905 -2.280 1.00 15.31 N ATOM 816 CA LEU A 54 5.830 4.282 -2.059 1.00 2.13 C ATOM 817 C LEU A 54 5.277 4.438 -0.645 1.00 0.33 C ATOM 818 O LEU A 54 5.191 5.543 -0.118 1.00 1.51 O ATOM 819 CB LEU A 54 4.763 4.684 -3.084 1.00 20.43 C ATOM 820 CG LEU A 54 5.155 4.498 -4.550 1.00 43.32 C ATOM 821 CD1 LEU A 54 3.985 4.843 -5.458 1.00 61.43 C ATOM 822 CD2 LEU A 54 6.368 5.349 -4.895 1.00 24.12 C ATOM 0 H LEU A 54 5.524 2.336 -2.748 1.00 15.31 H new ATOM 0 HA LEU A 54 6.698 4.930 -2.176 1.00 2.13 H new ATOM 0 HB2 LEU A 54 3.861 4.103 -2.891 1.00 20.43 H new ATOM 0 HB3 LEU A 54 4.507 5.732 -2.925 1.00 20.43 H new ATOM 0 HG LEU A 54 5.418 3.452 -4.706 1.00 43.32 H new ATOM 0 HD11 LEU A 54 4.279 4.706 -6.499 1.00 61.43 H new ATOM 0 HD12 LEU A 54 3.143 4.190 -5.230 1.00 61.43 H new ATOM 0 HD13 LEU A 54 3.693 5.881 -5.297 1.00 61.43 H new ATOM 0 HD21 LEU A 54 6.630 5.201 -5.943 1.00 24.12 H new ATOM 0 HD22 LEU A 54 6.136 6.400 -4.724 1.00 24.12 H new ATOM 0 HD23 LEU A 54 7.209 5.056 -4.266 1.00 24.12 H new ATOM 834 N SER A 55 4.932 3.307 -0.036 1.00 62.44 N ATOM 835 CA SER A 55 4.275 3.293 1.263 1.00 34.01 C ATOM 836 C SER A 55 5.289 3.247 2.406 1.00 52.53 C ATOM 837 O SER A 55 4.943 3.469 3.567 1.00 70.21 O ATOM 838 CB SER A 55 3.357 2.075 1.350 1.00 51.50 C ATOM 839 OG SER A 55 2.597 1.923 0.162 1.00 43.11 O ATOM 0 H SER A 55 5.100 2.380 -0.428 1.00 62.44 H new ATOM 0 HA SER A 55 3.698 4.212 1.362 1.00 34.01 H new ATOM 0 HB2 SER A 55 3.953 1.178 1.522 1.00 51.50 H new ATOM 0 HB3 SER A 55 2.687 2.181 2.203 1.00 51.50 H new ATOM 0 HG SER A 55 2.534 2.786 -0.299 1.00 43.11 H new ATOM 845 N ARG A 56 6.537 2.957 2.077 1.00 14.00 N ATOM 846 CA ARG A 56 7.572 2.827 3.094 1.00 42.31 C ATOM 847 C ARG A 56 8.491 4.038 3.106 1.00 44.13 C ATOM 848 O ARG A 56 9.669 3.935 3.451 1.00 3.21 O ATOM 849 CB ARG A 56 8.383 1.553 2.870 1.00 70.15 C ATOM 850 CG ARG A 56 7.611 0.281 3.179 1.00 71.53 C ATOM 851 CD ARG A 56 8.514 -0.939 3.143 1.00 4.32 C ATOM 852 NE ARG A 56 9.661 -0.791 4.039 1.00 14.33 N ATOM 853 CZ ARG A 56 10.579 -1.731 4.236 1.00 63.10 C ATOM 854 NH1 ARG A 56 10.454 -2.918 3.654 1.00 24.13 N ATOM 855 NH2 ARG A 56 11.614 -1.486 5.025 1.00 51.21 N ATOM 0 H ARG A 56 6.859 2.808 1.121 1.00 14.00 H new ATOM 0 HA ARG A 56 7.079 2.767 4.064 1.00 42.31 H new ATOM 0 HB2 ARG A 56 8.718 1.523 1.833 1.00 70.15 H new ATOM 0 HB3 ARG A 56 9.277 1.587 3.493 1.00 70.15 H new ATOM 0 HG2 ARG A 56 7.149 0.364 4.163 1.00 71.53 H new ATOM 0 HG3 ARG A 56 6.804 0.159 2.457 1.00 71.53 H new ATOM 0 HD2 ARG A 56 7.943 -1.823 3.427 1.00 4.32 H new ATOM 0 HD3 ARG A 56 8.867 -1.101 2.124 1.00 4.32 H new ATOM 0 HE ARG A 56 9.762 0.089 4.544 1.00 14.33 H new ATOM 0 HH11 ARG A 56 9.652 -3.110 3.054 1.00 24.13 H new ATOM 0 HH12 ARG A 56 11.160 -3.638 3.807 1.00 24.13 H new ATOM 0 HH21 ARG A 56 11.705 -0.577 5.480 1.00 51.21 H new ATOM 0 HH22 ARG A 56 12.320 -2.206 5.178 1.00 51.21 H new ATOM 869 N GLY A 57 7.943 5.187 2.744 1.00 1.25 N ATOM 870 CA GLY A 57 8.714 6.409 2.775 1.00 50.31 C ATOM 871 C GLY A 57 8.520 7.168 4.069 1.00 64.14 C ATOM 872 O GLY A 57 8.648 6.601 5.158 1.00 11.32 O ATOM 0 H GLY A 57 6.979 5.294 2.430 1.00 1.25 H new ATOM 0 HA2 GLY A 57 9.771 6.174 2.647 1.00 50.31 H new ATOM 0 HA3 GLY A 57 8.424 7.042 1.936 1.00 50.31 H new ATOM 876 N ILE A 58 8.210 8.448 3.954 1.00 75.24 N ATOM 877 CA ILE A 58 7.974 9.280 5.120 1.00 72.23 C ATOM 878 C ILE A 58 6.491 9.537 5.288 1.00 2.43 C ATOM 879 O ILE A 58 5.883 10.277 4.515 1.00 5.54 O ATOM 880 CB ILE A 58 8.718 10.630 5.023 1.00 74.13 C ATOM 881 CG1 ILE A 58 10.207 10.403 4.748 1.00 21.25 C ATOM 882 CG2 ILE A 58 8.533 11.432 6.308 1.00 3.04 C ATOM 883 CD1 ILE A 58 10.980 11.680 4.501 1.00 73.32 C ATOM 0 H ILE A 58 8.116 8.934 3.062 1.00 75.24 H new ATOM 0 HA ILE A 58 8.358 8.740 5.986 1.00 72.23 H new ATOM 0 HB ILE A 58 8.296 11.198 4.194 1.00 74.13 H new ATOM 0 HG12 ILE A 58 10.649 9.879 5.596 1.00 21.25 H new ATOM 0 HG13 ILE A 58 10.312 9.751 3.881 1.00 21.25 H new ATOM 0 HG21 ILE A 58 9.063 12.381 6.224 1.00 3.04 H new ATOM 0 HG22 ILE A 58 7.472 11.622 6.469 1.00 3.04 H new ATOM 0 HG23 ILE A 58 8.932 10.867 7.150 1.00 3.04 H new ATOM 0 HD11 ILE A 58 12.027 11.441 4.314 1.00 73.32 H new ATOM 0 HD12 ILE A 58 10.565 12.195 3.635 1.00 73.32 H new ATOM 0 HD13 ILE A 58 10.906 12.325 5.376 1.00 73.32 H new ATOM 895 N VAL A 59 5.917 8.910 6.295 1.00 41.32 N ATOM 896 CA VAL A 59 4.508 9.043 6.575 1.00 50.04 C ATOM 897 C VAL A 59 4.296 9.975 7.766 1.00 4.33 C ATOM 898 O VAL A 59 4.626 9.648 8.908 1.00 34.13 O ATOM 899 CB VAL A 59 3.866 7.654 6.812 1.00 45.14 C ATOM 900 CG1 VAL A 59 4.524 6.908 7.968 1.00 32.02 C ATOM 901 CG2 VAL A 59 2.363 7.777 7.023 1.00 13.44 C ATOM 0 H VAL A 59 6.416 8.296 6.939 1.00 41.32 H new ATOM 0 HA VAL A 59 4.013 9.486 5.711 1.00 50.04 H new ATOM 0 HB VAL A 59 4.037 7.063 5.912 1.00 45.14 H new ATOM 0 HG11 VAL A 59 4.041 5.939 8.098 1.00 32.02 H new ATOM 0 HG12 VAL A 59 5.582 6.760 7.751 1.00 32.02 H new ATOM 0 HG13 VAL A 59 4.420 7.491 8.883 1.00 32.02 H new ATOM 0 HG21 VAL A 59 1.936 6.787 7.187 1.00 13.44 H new ATOM 0 HG22 VAL A 59 2.168 8.405 7.892 1.00 13.44 H new ATOM 0 HG23 VAL A 59 1.907 8.227 6.141 1.00 13.44 H new ATOM 911 N ALA A 60 3.787 11.160 7.486 1.00 11.24 N ATOM 912 CA ALA A 60 3.632 12.176 8.511 1.00 5.41 C ATOM 913 C ALA A 60 2.404 13.042 8.260 1.00 64.13 C ATOM 914 O ALA A 60 1.823 13.025 7.173 1.00 11.15 O ATOM 915 CB ALA A 60 4.881 13.041 8.578 1.00 23.14 C ATOM 0 H ALA A 60 3.474 11.443 6.558 1.00 11.24 H new ATOM 0 HA ALA A 60 3.491 11.671 9.466 1.00 5.41 H new ATOM 0 HB1 ALA A 60 4.756 13.801 9.350 1.00 23.14 H new ATOM 0 HB2 ALA A 60 5.743 12.418 8.818 1.00 23.14 H new ATOM 0 HB3 ALA A 60 5.040 13.525 7.614 1.00 23.14 H new ATOM 921 N GLU A 61 2.020 13.796 9.278 1.00 23.50 N ATOM 922 CA GLU A 61 0.886 14.701 9.187 1.00 73.30 C ATOM 923 C GLU A 61 1.367 16.089 8.778 1.00 71.23 C ATOM 924 O GLU A 61 2.201 16.690 9.455 1.00 63.05 O ATOM 925 CB GLU A 61 0.153 14.748 10.535 1.00 5.00 C ATOM 926 CG GLU A 61 -1.091 15.626 10.552 1.00 22.32 C ATOM 927 CD GLU A 61 -1.841 15.542 11.869 1.00 4.41 C ATOM 928 OE1 GLU A 61 -1.494 16.294 12.809 1.00 63.45 O ATOM 929 OE2 GLU A 61 -2.784 14.728 11.972 1.00 32.44 O ATOM 0 H GLU A 61 2.484 13.798 10.187 1.00 23.50 H new ATOM 0 HA GLU A 61 0.190 14.342 8.429 1.00 73.30 H new ATOM 0 HB2 GLU A 61 -0.131 13.733 10.814 1.00 5.00 H new ATOM 0 HB3 GLU A 61 0.845 15.107 11.297 1.00 5.00 H new ATOM 0 HG2 GLU A 61 -0.804 16.661 10.366 1.00 22.32 H new ATOM 0 HG3 GLU A 61 -1.754 15.328 9.740 1.00 22.32 H new ATOM 936 N HIS A 62 0.850 16.570 7.654 1.00 32.33 N ATOM 937 CA HIS A 62 1.234 17.870 7.114 1.00 62.43 C ATOM 938 C HIS A 62 0.855 18.976 8.095 1.00 34.31 C ATOM 939 O HIS A 62 1.698 19.519 8.804 1.00 11.34 O ATOM 940 CB HIS A 62 0.537 18.093 5.767 1.00 24.10 C ATOM 941 CG HIS A 62 1.046 19.262 4.985 1.00 22.12 C ATOM 942 ND1 HIS A 62 0.632 20.543 5.248 1.00 42.51 N ATOM 943 CD2 HIS A 62 1.927 19.284 3.959 1.00 12.33 C ATOM 944 CE1 HIS A 62 1.270 21.312 4.385 1.00 42.52 C ATOM 945 NE2 HIS A 62 2.066 20.596 3.581 1.00 23.11 N ATOM 0 H HIS A 62 0.157 16.074 7.093 1.00 32.33 H new ATOM 0 HA HIS A 62 2.313 17.893 6.964 1.00 62.43 H new ATOM 0 HB2 HIS A 62 0.648 17.193 5.163 1.00 24.10 H new ATOM 0 HB3 HIS A 62 -0.530 18.228 5.944 1.00 24.10 H new ATOM 0 HD2 HIS A 62 2.426 18.432 3.521 1.00 12.33 H new ATOM 0 HE1 HIS A 62 1.163 22.385 4.334 1.00 42.52 H new ATOM 0 HE2 HIS A 62 2.660 20.955 2.834 1.00 23.11 H new ATOM 953 N GLN A 63 -0.426 19.297 8.120 1.00 2.24 N ATOM 954 CA GLN A 63 -0.973 20.209 9.106 1.00 13.35 C ATOM 955 C GLN A 63 -2.211 19.582 9.724 1.00 55.31 C ATOM 956 O GLN A 63 -2.388 19.588 10.942 1.00 23.11 O ATOM 957 CB GLN A 63 -1.336 21.556 8.474 1.00 21.43 C ATOM 958 CG GLN A 63 -0.137 22.369 8.010 1.00 54.00 C ATOM 959 CD GLN A 63 0.803 22.730 9.146 1.00 23.14 C ATOM 960 OE1 GLN A 63 0.381 22.878 10.297 1.00 20.14 O ATOM 961 NE2 GLN A 63 2.080 22.887 8.834 1.00 35.12 N ATOM 0 H GLN A 63 -1.113 18.934 7.460 1.00 2.24 H new ATOM 0 HA GLN A 63 -0.219 20.390 9.872 1.00 13.35 H new ATOM 0 HB2 GLN A 63 -1.993 21.380 7.622 1.00 21.43 H new ATOM 0 HB3 GLN A 63 -1.902 22.144 9.197 1.00 21.43 H new ATOM 0 HG2 GLN A 63 0.411 21.803 7.257 1.00 54.00 H new ATOM 0 HG3 GLN A 63 -0.487 23.283 7.530 1.00 54.00 H new ATOM 0 HE21 GLN A 63 2.390 22.756 7.871 1.00 35.12 H new ATOM 0 HE22 GLN A 63 2.754 23.139 9.557 1.00 35.12 H new ATOM 970 N ASP A 64 -3.053 19.022 8.863 1.00 41.11 N ATOM 971 CA ASP A 64 -4.292 18.385 9.294 1.00 71.20 C ATOM 972 C ASP A 64 -4.447 17.016 8.639 1.00 23.40 C ATOM 973 O ASP A 64 -5.180 16.158 9.131 1.00 10.22 O ATOM 974 CB ASP A 64 -5.502 19.250 8.919 1.00 53.40 C ATOM 975 CG ASP A 64 -5.426 20.661 9.466 1.00 71.32 C ATOM 976 OD1 ASP A 64 -4.888 21.547 8.765 1.00 34.11 O ATOM 977 OD2 ASP A 64 -5.921 20.900 10.587 1.00 34.33 O ATOM 0 H ASP A 64 -2.898 18.996 7.855 1.00 41.11 H new ATOM 0 HA ASP A 64 -4.246 18.270 10.377 1.00 71.20 H new ATOM 0 HB2 ASP A 64 -5.586 19.293 7.833 1.00 53.40 H new ATOM 0 HB3 ASP A 64 -6.409 18.773 9.290 1.00 53.40 H new ATOM 982 N ASP A 65 -3.751 16.822 7.524 1.00 31.11 N ATOM 983 CA ASP A 65 -3.908 15.615 6.721 1.00 3.14 C ATOM 984 C ASP A 65 -2.668 14.726 6.811 1.00 72.22 C ATOM 985 O ASP A 65 -1.655 15.118 7.393 1.00 71.11 O ATOM 986 CB ASP A 65 -4.168 15.995 5.263 1.00 50.03 C ATOM 987 CG ASP A 65 -5.061 14.998 4.558 1.00 53.51 C ATOM 988 OD1 ASP A 65 -4.564 13.938 4.135 1.00 65.33 O ATOM 989 OD2 ASP A 65 -6.266 15.291 4.400 1.00 55.13 O ATOM 0 H ASP A 65 -3.071 17.487 7.155 1.00 31.11 H new ATOM 0 HA ASP A 65 -4.757 15.054 7.111 1.00 3.14 H new ATOM 0 HB2 ASP A 65 -4.629 16.982 5.224 1.00 50.03 H new ATOM 0 HB3 ASP A 65 -3.218 16.065 4.734 1.00 50.03 H new ATOM 994 N LEU A 66 -2.739 13.553 6.199 1.00 23.12 N ATOM 995 CA LEU A 66 -1.676 12.562 6.295 1.00 11.44 C ATOM 996 C LEU A 66 -1.064 12.307 4.924 1.00 45.54 C ATOM 997 O LEU A 66 -1.768 11.964 3.970 1.00 45.13 O ATOM 998 CB LEU A 66 -2.220 11.253 6.873 1.00 12.52 C ATOM 999 CG LEU A 66 -2.792 11.348 8.290 1.00 12.41 C ATOM 1000 CD1 LEU A 66 -3.395 10.016 8.708 1.00 13.10 C ATOM 1001 CD2 LEU A 66 -1.713 11.777 9.273 1.00 22.03 C ATOM 0 H LEU A 66 -3.530 13.262 5.625 1.00 23.12 H new ATOM 0 HA LEU A 66 -0.904 12.949 6.960 1.00 11.44 H new ATOM 0 HB2 LEU A 66 -2.999 10.879 6.209 1.00 12.52 H new ATOM 0 HB3 LEU A 66 -1.418 10.514 6.872 1.00 12.52 H new ATOM 0 HG LEU A 66 -3.580 12.101 8.295 1.00 12.41 H new ATOM 0 HD11 LEU A 66 -3.797 10.100 9.718 1.00 13.10 H new ATOM 0 HD12 LEU A 66 -4.196 9.747 8.019 1.00 13.10 H new ATOM 0 HD13 LEU A 66 -2.625 9.245 8.687 1.00 13.10 H new ATOM 0 HD21 LEU A 66 -2.138 11.839 10.275 1.00 22.03 H new ATOM 0 HD22 LEU A 66 -0.904 11.047 9.267 1.00 22.03 H new ATOM 0 HD23 LEU A 66 -1.324 12.753 8.983 1.00 22.03 H new ATOM 1013 N TRP A 67 0.245 12.475 4.829 1.00 65.12 N ATOM 1014 CA TRP A 67 0.944 12.323 3.562 1.00 44.41 C ATOM 1015 C TRP A 67 2.063 11.303 3.688 1.00 55.42 C ATOM 1016 O TRP A 67 2.716 11.214 4.731 1.00 52.43 O ATOM 1017 CB TRP A 67 1.543 13.660 3.114 1.00 55.21 C ATOM 1018 CG TRP A 67 0.546 14.765 2.947 1.00 1.42 C ATOM 1019 CD1 TRP A 67 -0.134 15.414 3.937 1.00 30.15 C ATOM 1020 CD2 TRP A 67 0.131 15.366 1.715 1.00 52.22 C ATOM 1021 NE1 TRP A 67 -0.936 16.388 3.396 1.00 22.41 N ATOM 1022 CE2 TRP A 67 -0.795 16.376 2.035 1.00 31.50 C ATOM 1023 CE3 TRP A 67 0.454 15.151 0.372 1.00 63.42 C ATOM 1024 CZ2 TRP A 67 -1.401 17.168 1.062 1.00 15.33 C ATOM 1025 CZ3 TRP A 67 -0.148 15.936 -0.591 1.00 63.23 C ATOM 1026 CH2 TRP A 67 -1.064 16.934 -0.243 1.00 41.22 C ATOM 0 H TRP A 67 0.847 12.717 5.616 1.00 65.12 H new ATOM 0 HA TRP A 67 0.220 11.981 2.822 1.00 44.41 H new ATOM 0 HB2 TRP A 67 2.291 13.971 3.843 1.00 55.21 H new ATOM 0 HB3 TRP A 67 2.063 13.511 2.168 1.00 55.21 H new ATOM 0 HD1 TRP A 67 -0.053 15.194 4.991 1.00 30.15 H new ATOM 0 HE1 TRP A 67 -1.540 17.019 3.923 1.00 22.41 H new ATOM 0 HE3 TRP A 67 1.162 14.385 0.093 1.00 63.42 H new ATOM 0 HZ2 TRP A 67 -2.110 17.938 1.328 1.00 15.33 H new ATOM 0 HZ3 TRP A 67 0.093 15.777 -1.632 1.00 63.23 H new ATOM 0 HH2 TRP A 67 -1.515 17.532 -1.021 1.00 41.22 H new ATOM 1037 N VAL A 68 2.280 10.534 2.635 1.00 51.20 N ATOM 1038 CA VAL A 68 3.411 9.629 2.583 1.00 65.10 C ATOM 1039 C VAL A 68 4.358 10.035 1.453 1.00 14.52 C ATOM 1040 O VAL A 68 3.984 10.074 0.279 1.00 72.31 O ATOM 1041 CB VAL A 68 2.970 8.149 2.432 1.00 21.33 C ATOM 1042 CG1 VAL A 68 2.192 7.919 1.143 1.00 62.00 C ATOM 1043 CG2 VAL A 68 4.175 7.222 2.510 1.00 61.24 C ATOM 0 H VAL A 68 1.687 10.519 1.805 1.00 51.20 H new ATOM 0 HA VAL A 68 3.940 9.705 3.533 1.00 65.10 H new ATOM 0 HB VAL A 68 2.300 7.919 3.260 1.00 21.33 H new ATOM 0 HG11 VAL A 68 1.902 6.871 1.075 1.00 62.00 H new ATOM 0 HG12 VAL A 68 1.299 8.544 1.141 1.00 62.00 H new ATOM 0 HG13 VAL A 68 2.818 8.178 0.289 1.00 62.00 H new ATOM 0 HG21 VAL A 68 3.846 6.188 2.402 1.00 61.24 H new ATOM 0 HG22 VAL A 68 4.874 7.466 1.710 1.00 61.24 H new ATOM 0 HG23 VAL A 68 4.669 7.347 3.474 1.00 61.24 H new ATOM 1053 N ALA A 69 5.574 10.393 1.823 1.00 55.42 N ATOM 1054 CA ALA A 69 6.584 10.773 0.856 1.00 14.24 C ATOM 1055 C ALA A 69 7.385 9.558 0.432 1.00 24.22 C ATOM 1056 O ALA A 69 8.058 8.941 1.254 1.00 5.02 O ATOM 1057 CB ALA A 69 7.504 11.833 1.441 1.00 73.12 C ATOM 0 H ALA A 69 5.886 10.428 2.793 1.00 55.42 H new ATOM 0 HA ALA A 69 6.088 11.189 -0.021 1.00 14.24 H new ATOM 0 HB1 ALA A 69 8.257 12.108 0.703 1.00 73.12 H new ATOM 0 HB2 ALA A 69 6.920 12.713 1.709 1.00 73.12 H new ATOM 0 HB3 ALA A 69 7.995 11.438 2.331 1.00 73.12 H new ATOM 1063 N SER A 70 7.295 9.206 -0.842 1.00 13.21 N ATOM 1064 CA SER A 70 8.042 8.072 -1.368 1.00 65.33 C ATOM 1065 C SER A 70 9.547 8.288 -1.191 1.00 3.44 C ATOM 1066 O SER A 70 10.057 9.381 -1.431 1.00 11.25 O ATOM 1067 CB SER A 70 7.689 7.853 -2.839 1.00 72.01 C ATOM 1068 OG SER A 70 7.726 9.067 -3.567 1.00 51.55 O ATOM 0 H SER A 70 6.714 9.687 -1.529 1.00 13.21 H new ATOM 0 HA SER A 70 7.766 7.178 -0.809 1.00 65.33 H new ATOM 0 HB2 SER A 70 8.387 7.142 -3.280 1.00 72.01 H new ATOM 0 HB3 SER A 70 6.695 7.412 -2.914 1.00 72.01 H new ATOM 0 HG SER A 70 7.346 8.925 -4.459 1.00 51.55 H new ATOM 1074 N PRO A 71 10.276 7.247 -0.758 1.00 71.55 N ATOM 1075 CA PRO A 71 11.707 7.357 -0.441 1.00 74.32 C ATOM 1076 C PRO A 71 12.560 7.679 -1.665 1.00 34.43 C ATOM 1077 O PRO A 71 13.580 8.357 -1.565 1.00 3.42 O ATOM 1078 CB PRO A 71 12.062 5.967 0.103 1.00 62.21 C ATOM 1079 CG PRO A 71 11.023 5.061 -0.461 1.00 33.04 C ATOM 1080 CD PRO A 71 9.769 5.881 -0.539 1.00 14.53 C ATOM 0 HA PRO A 71 11.901 8.170 0.259 1.00 74.32 H new ATOM 0 HB2 PRO A 71 13.062 5.664 -0.208 1.00 62.21 H new ATOM 0 HB3 PRO A 71 12.049 5.954 1.193 1.00 62.21 H new ATOM 0 HG2 PRO A 71 11.314 4.696 -1.446 1.00 33.04 H new ATOM 0 HG3 PRO A 71 10.880 4.186 0.173 1.00 33.04 H new ATOM 0 HD2 PRO A 71 9.124 5.555 -1.355 1.00 14.53 H new ATOM 0 HD3 PRO A 71 9.184 5.810 0.378 1.00 14.53 H new ATOM 1088 N LEU A 72 12.125 7.202 -2.821 1.00 12.05 N ATOM 1089 CA LEU A 72 12.897 7.353 -4.047 1.00 72.32 C ATOM 1090 C LEU A 72 12.489 8.606 -4.817 1.00 63.40 C ATOM 1091 O LEU A 72 13.316 9.476 -5.092 1.00 45.33 O ATOM 1092 CB LEU A 72 12.717 6.116 -4.933 1.00 55.33 C ATOM 1093 CG LEU A 72 13.157 4.791 -4.301 1.00 21.31 C ATOM 1094 CD1 LEU A 72 12.848 3.628 -5.233 1.00 1.42 C ATOM 1095 CD2 LEU A 72 14.639 4.824 -3.967 1.00 62.33 C ATOM 0 H LEU A 72 11.241 6.707 -2.937 1.00 12.05 H new ATOM 0 HA LEU A 72 13.946 7.456 -3.770 1.00 72.32 H new ATOM 0 HB2 LEU A 72 11.666 6.037 -5.209 1.00 55.33 H new ATOM 0 HB3 LEU A 72 13.279 6.264 -5.855 1.00 55.33 H new ATOM 0 HG LEU A 72 12.599 4.650 -3.375 1.00 21.31 H new ATOM 0 HD11 LEU A 72 13.167 2.695 -4.769 1.00 1.42 H new ATOM 0 HD12 LEU A 72 11.776 3.590 -5.424 1.00 1.42 H new ATOM 0 HD13 LEU A 72 13.380 3.765 -6.174 1.00 1.42 H new ATOM 0 HD21 LEU A 72 14.932 3.874 -3.519 1.00 62.33 H new ATOM 0 HD22 LEU A 72 15.214 4.988 -4.878 1.00 62.33 H new ATOM 0 HD23 LEU A 72 14.835 5.633 -3.263 1.00 62.33 H new ATOM 1107 N LYS A 73 11.207 8.698 -5.149 1.00 31.33 N ATOM 1108 CA LYS A 73 10.715 9.753 -6.029 1.00 14.40 C ATOM 1109 C LYS A 73 10.271 10.985 -5.240 1.00 0.42 C ATOM 1110 O LYS A 73 10.052 12.052 -5.814 1.00 73.53 O ATOM 1111 CB LYS A 73 9.572 9.205 -6.887 1.00 63.11 C ATOM 1112 CG LYS A 73 9.997 8.014 -7.733 1.00 35.24 C ATOM 1113 CD LYS A 73 8.842 7.414 -8.517 1.00 33.13 C ATOM 1114 CE LYS A 73 9.314 6.234 -9.356 1.00 1.01 C ATOM 1115 NZ LYS A 73 8.198 5.573 -10.079 1.00 44.31 N ATOM 0 H LYS A 73 10.487 8.054 -4.822 1.00 31.33 H new ATOM 0 HA LYS A 73 11.529 10.073 -6.679 1.00 14.40 H new ATOM 0 HB2 LYS A 73 8.746 8.910 -6.240 1.00 63.11 H new ATOM 0 HB3 LYS A 73 9.200 9.995 -7.539 1.00 63.11 H new ATOM 0 HG2 LYS A 73 10.779 8.325 -8.426 1.00 35.24 H new ATOM 0 HG3 LYS A 73 10.429 7.250 -7.087 1.00 35.24 H new ATOM 0 HD2 LYS A 73 8.061 7.088 -7.830 1.00 33.13 H new ATOM 0 HD3 LYS A 73 8.402 8.173 -9.164 1.00 33.13 H new ATOM 0 HE2 LYS A 73 10.057 6.577 -10.076 1.00 1.01 H new ATOM 0 HE3 LYS A 73 9.807 5.507 -8.711 1.00 1.01 H new ATOM 0 HZ1 LYS A 73 8.521 4.658 -10.454 1.00 44.31 H new ATOM 0 HZ2 LYS A 73 7.404 5.418 -9.425 1.00 44.31 H new ATOM 0 HZ3 LYS A 73 7.886 6.179 -10.865 1.00 44.31 H new ATOM 1129 N LYS A 74 10.126 10.812 -3.927 1.00 14.31 N ATOM 1130 CA LYS A 74 9.804 11.906 -3.001 1.00 41.42 C ATOM 1131 C LYS A 74 8.434 12.526 -3.258 1.00 64.03 C ATOM 1132 O LYS A 74 8.082 13.542 -2.652 1.00 2.40 O ATOM 1133 CB LYS A 74 10.893 12.980 -3.022 1.00 74.23 C ATOM 1134 CG LYS A 74 12.097 12.617 -2.175 1.00 25.20 C ATOM 1135 CD LYS A 74 13.143 13.716 -2.186 1.00 21.41 C ATOM 1136 CE LYS A 74 14.162 13.499 -1.083 1.00 0.55 C ATOM 1137 NZ LYS A 74 13.542 13.604 0.269 1.00 62.25 N ATOM 0 H LYS A 74 10.228 9.906 -3.470 1.00 14.31 H new ATOM 0 HA LYS A 74 9.764 11.461 -2.007 1.00 41.42 H new ATOM 0 HB2 LYS A 74 11.215 13.144 -4.050 1.00 74.23 H new ATOM 0 HB3 LYS A 74 10.475 13.921 -2.665 1.00 74.23 H new ATOM 0 HG2 LYS A 74 11.777 12.429 -1.150 1.00 25.20 H new ATOM 0 HG3 LYS A 74 12.537 11.692 -2.546 1.00 25.20 H new ATOM 0 HD2 LYS A 74 13.646 13.737 -3.153 1.00 21.41 H new ATOM 0 HD3 LYS A 74 12.661 14.685 -2.057 1.00 21.41 H new ATOM 0 HE2 LYS A 74 14.619 12.516 -1.198 1.00 0.55 H new ATOM 0 HE3 LYS A 74 14.961 14.235 -1.175 1.00 0.55 H new ATOM 0 HZ1 LYS A 74 14.271 13.857 0.966 1.00 62.25 H new ATOM 0 HZ2 LYS A 74 12.805 14.338 0.257 1.00 62.25 H new ATOM 0 HZ3 LYS A 74 13.117 12.691 0.528 1.00 62.25 H new ATOM 1151 N GLN A 75 7.655 11.911 -4.132 1.00 52.22 N ATOM 1152 CA GLN A 75 6.291 12.347 -4.358 1.00 12.10 C ATOM 1153 C GLN A 75 5.478 12.118 -3.090 1.00 33.42 C ATOM 1154 O GLN A 75 5.491 11.022 -2.522 1.00 1.25 O ATOM 1155 CB GLN A 75 5.674 11.605 -5.546 1.00 51.14 C ATOM 1156 CG GLN A 75 6.348 11.933 -6.873 1.00 64.22 C ATOM 1157 CD GLN A 75 5.737 11.190 -8.045 1.00 72.35 C ATOM 1158 OE1 GLN A 75 4.553 10.855 -8.037 1.00 11.35 O ATOM 1159 NE2 GLN A 75 6.540 10.930 -9.065 1.00 5.24 N ATOM 0 H GLN A 75 7.944 11.111 -4.694 1.00 52.22 H new ATOM 0 HA GLN A 75 6.286 13.410 -4.599 1.00 12.10 H new ATOM 0 HB2 GLN A 75 5.738 10.531 -5.369 1.00 51.14 H new ATOM 0 HB3 GLN A 75 4.615 11.855 -5.612 1.00 51.14 H new ATOM 0 HG2 GLN A 75 6.280 13.006 -7.054 1.00 64.22 H new ATOM 0 HG3 GLN A 75 7.408 11.688 -6.807 1.00 64.22 H new ATOM 0 HE21 GLN A 75 7.516 11.224 -9.034 1.00 5.24 H new ATOM 0 HE22 GLN A 75 6.183 10.435 -9.882 1.00 5.24 H new ATOM 1168 N HIS A 76 4.814 13.165 -2.629 1.00 25.30 N ATOM 1169 CA HIS A 76 4.053 13.101 -1.390 1.00 5.12 C ATOM 1170 C HIS A 76 2.620 12.689 -1.671 1.00 31.34 C ATOM 1171 O HIS A 76 1.805 13.510 -2.078 1.00 63.43 O ATOM 1172 CB HIS A 76 4.070 14.452 -0.671 1.00 33.31 C ATOM 1173 CG HIS A 76 5.371 14.784 -0.004 1.00 52.44 C ATOM 1174 ND1 HIS A 76 6.544 15.031 -0.690 1.00 64.34 N ATOM 1175 CD2 HIS A 76 5.673 14.926 1.308 1.00 4.32 C ATOM 1176 CE1 HIS A 76 7.503 15.311 0.170 1.00 43.43 C ATOM 1177 NE2 HIS A 76 7.002 15.255 1.390 1.00 33.54 N ATOM 0 H HIS A 76 4.786 14.072 -3.095 1.00 25.30 H new ATOM 0 HA HIS A 76 4.520 12.356 -0.746 1.00 5.12 H new ATOM 0 HB2 HIS A 76 3.835 15.236 -1.391 1.00 33.31 H new ATOM 0 HB3 HIS A 76 3.279 14.460 0.079 1.00 33.31 H new ATOM 0 HD1 HIS A 76 6.651 15.001 -1.704 1.00 64.34 H new ATOM 0 HD2 HIS A 76 4.993 14.803 2.138 1.00 4.32 H new ATOM 0 HE1 HIS A 76 8.527 15.547 -0.081 1.00 43.43 H new ATOM 1186 N PHE A 77 2.321 11.421 -1.466 1.00 33.24 N ATOM 1187 CA PHE A 77 0.987 10.911 -1.723 1.00 31.44 C ATOM 1188 C PHE A 77 0.093 11.151 -0.517 1.00 42.52 C ATOM 1189 O PHE A 77 0.383 10.690 0.588 1.00 31.45 O ATOM 1190 CB PHE A 77 1.035 9.416 -2.054 1.00 51.24 C ATOM 1191 CG PHE A 77 1.928 9.085 -3.216 1.00 63.41 C ATOM 1192 CD1 PHE A 77 1.472 9.214 -4.519 1.00 53.25 C ATOM 1193 CD2 PHE A 77 3.226 8.647 -3.004 1.00 0.44 C ATOM 1194 CE1 PHE A 77 2.295 8.912 -5.587 1.00 64.34 C ATOM 1195 CE2 PHE A 77 4.052 8.344 -4.070 1.00 52.15 C ATOM 1196 CZ PHE A 77 3.586 8.476 -5.361 1.00 65.13 C ATOM 0 H PHE A 77 2.983 10.725 -1.122 1.00 33.24 H new ATOM 0 HA PHE A 77 0.575 11.442 -2.581 1.00 31.44 H new ATOM 0 HB2 PHE A 77 1.378 8.869 -1.176 1.00 51.24 H new ATOM 0 HB3 PHE A 77 0.025 9.068 -2.272 1.00 51.24 H new ATOM 0 HD1 PHE A 77 0.463 9.554 -4.701 1.00 53.25 H new ATOM 0 HD2 PHE A 77 3.596 8.541 -1.995 1.00 0.44 H new ATOM 0 HE1 PHE A 77 1.929 9.017 -6.598 1.00 64.34 H new ATOM 0 HE2 PHE A 77 5.062 8.004 -3.892 1.00 52.15 H new ATOM 0 HZ PHE A 77 4.230 8.239 -6.195 1.00 65.13 H new ATOM 1206 N ARG A 78 -0.979 11.890 -0.730 1.00 42.31 N ATOM 1207 CA ARG A 78 -1.930 12.174 0.330 1.00 72.55 C ATOM 1208 C ARG A 78 -2.841 10.970 0.543 1.00 1.11 C ATOM 1209 O ARG A 78 -3.532 10.540 -0.377 1.00 54.03 O ATOM 1210 CB ARG A 78 -2.747 13.415 -0.021 1.00 33.14 C ATOM 1211 CG ARG A 78 -3.730 13.823 1.058 1.00 22.01 C ATOM 1212 CD ARG A 78 -4.423 15.125 0.704 1.00 45.12 C ATOM 1213 NE ARG A 78 -5.522 15.419 1.615 1.00 44.31 N ATOM 1214 CZ ARG A 78 -6.564 16.189 1.308 1.00 4.11 C ATOM 1215 NH1 ARG A 78 -6.673 16.722 0.098 1.00 22.11 N ATOM 1216 NH2 ARG A 78 -7.504 16.413 2.213 1.00 51.24 N ATOM 0 H ARG A 78 -1.214 12.306 -1.631 1.00 42.31 H new ATOM 0 HA ARG A 78 -1.390 12.369 1.257 1.00 72.55 H new ATOM 0 HB2 ARG A 78 -2.067 14.245 -0.213 1.00 33.14 H new ATOM 0 HB3 ARG A 78 -3.293 13.230 -0.946 1.00 33.14 H new ATOM 0 HG2 ARG A 78 -4.473 13.037 1.193 1.00 22.01 H new ATOM 0 HG3 ARG A 78 -3.207 13.933 2.008 1.00 22.01 H new ATOM 0 HD2 ARG A 78 -3.700 15.940 0.731 1.00 45.12 H new ATOM 0 HD3 ARG A 78 -4.802 15.069 -0.316 1.00 45.12 H new ATOM 0 HE ARG A 78 -5.491 15.008 2.548 1.00 44.31 H new ATOM 0 HH11 ARG A 78 -5.956 16.543 -0.605 1.00 22.11 H new ATOM 0 HH12 ARG A 78 -7.474 17.311 -0.130 1.00 22.11 H new ATOM 0 HH21 ARG A 78 -7.428 15.996 3.141 1.00 51.24 H new ATOM 0 HH22 ARG A 78 -8.304 17.002 1.982 1.00 51.24 H new ATOM 1230 N LEU A 79 -2.835 10.439 1.760 1.00 15.30 N ATOM 1231 CA LEU A 79 -3.537 9.195 2.068 1.00 71.10 C ATOM 1232 C LEU A 79 -5.053 9.365 2.003 1.00 55.24 C ATOM 1233 O LEU A 79 -5.768 8.460 1.578 1.00 73.42 O ATOM 1234 CB LEU A 79 -3.130 8.694 3.456 1.00 2.11 C ATOM 1235 CG LEU A 79 -1.633 8.433 3.638 1.00 72.42 C ATOM 1236 CD1 LEU A 79 -1.342 7.963 5.054 1.00 51.10 C ATOM 1237 CD2 LEU A 79 -1.147 7.408 2.628 1.00 24.15 C ATOM 0 H LEU A 79 -2.349 10.853 2.556 1.00 15.30 H new ATOM 0 HA LEU A 79 -3.252 8.461 1.314 1.00 71.10 H new ATOM 0 HB2 LEU A 79 -3.448 9.427 4.198 1.00 2.11 H new ATOM 0 HB3 LEU A 79 -3.672 7.772 3.666 1.00 2.11 H new ATOM 0 HG LEU A 79 -1.097 9.367 3.469 1.00 72.42 H new ATOM 0 HD11 LEU A 79 -0.273 7.782 5.165 1.00 51.10 H new ATOM 0 HD12 LEU A 79 -1.656 8.729 5.763 1.00 51.10 H new ATOM 0 HD13 LEU A 79 -1.888 7.040 5.251 1.00 51.10 H new ATOM 0 HD21 LEU A 79 -0.081 7.234 2.771 1.00 24.15 H new ATOM 0 HD22 LEU A 79 -1.690 6.473 2.769 1.00 24.15 H new ATOM 0 HD23 LEU A 79 -1.322 7.781 1.619 1.00 24.15 H new ATOM 1249 N TYR A 80 -5.534 10.525 2.423 1.00 72.15 N ATOM 1250 CA TYR A 80 -6.968 10.778 2.477 1.00 10.12 C ATOM 1251 C TYR A 80 -7.527 11.146 1.100 1.00 61.32 C ATOM 1252 O TYR A 80 -8.727 11.015 0.850 1.00 10.44 O ATOM 1253 CB TYR A 80 -7.261 11.898 3.488 1.00 42.23 C ATOM 1254 CG TYR A 80 -8.711 12.335 3.518 1.00 12.23 C ATOM 1255 CD1 TYR A 80 -9.672 11.576 4.171 1.00 43.25 C ATOM 1256 CD2 TYR A 80 -9.118 13.499 2.878 1.00 52.42 C ATOM 1257 CE1 TYR A 80 -10.998 11.966 4.186 1.00 63.12 C ATOM 1258 CE2 TYR A 80 -10.440 13.892 2.887 1.00 4.51 C ATOM 1259 CZ TYR A 80 -11.376 13.124 3.541 1.00 12.10 C ATOM 1260 OH TYR A 80 -12.697 13.511 3.544 1.00 53.42 O ATOM 0 H TYR A 80 -4.955 11.306 2.731 1.00 72.15 H new ATOM 0 HA TYR A 80 -7.462 9.861 2.798 1.00 10.12 H new ATOM 0 HB2 TYR A 80 -6.973 11.560 4.483 1.00 42.23 H new ATOM 0 HB3 TYR A 80 -6.637 12.760 3.251 1.00 42.23 H new ATOM 0 HD1 TYR A 80 -9.379 10.667 4.675 1.00 43.25 H new ATOM 0 HD2 TYR A 80 -8.387 14.106 2.365 1.00 52.42 H new ATOM 0 HE1 TYR A 80 -11.734 11.366 4.701 1.00 63.12 H new ATOM 0 HE2 TYR A 80 -10.739 14.799 2.383 1.00 4.51 H new ATOM 0 HH TYR A 80 -12.793 14.349 3.046 1.00 53.42 H new ATOM 1270 N ASP A 81 -6.658 11.579 0.203 1.00 60.15 N ATOM 1271 CA ASP A 81 -7.104 12.139 -1.064 1.00 22.01 C ATOM 1272 C ASP A 81 -6.667 11.278 -2.242 1.00 31.00 C ATOM 1273 O ASP A 81 -7.477 10.560 -2.825 1.00 64.44 O ATOM 1274 CB ASP A 81 -6.565 13.562 -1.207 1.00 40.03 C ATOM 1275 CG ASP A 81 -6.928 14.217 -2.518 1.00 73.51 C ATOM 1276 OD1 ASP A 81 -6.216 13.978 -3.508 1.00 23.54 O ATOM 1277 OD2 ASP A 81 -7.897 15.001 -2.545 1.00 61.51 O ATOM 0 H ASP A 81 -5.646 11.555 0.326 1.00 60.15 H new ATOM 0 HA ASP A 81 -8.194 12.161 -1.068 1.00 22.01 H new ATOM 0 HB2 ASP A 81 -6.948 14.171 -0.388 1.00 40.03 H new ATOM 0 HB3 ASP A 81 -5.480 13.542 -1.109 1.00 40.03 H new ATOM 1282 N GLY A 82 -5.386 11.343 -2.576 1.00 51.32 N ATOM 1283 CA GLY A 82 -4.881 10.614 -3.716 1.00 20.15 C ATOM 1284 C GLY A 82 -3.864 11.416 -4.501 1.00 63.24 C ATOM 1285 O GLY A 82 -2.991 10.846 -5.158 1.00 75.32 O ATOM 0 H GLY A 82 -4.687 11.891 -2.074 1.00 51.32 H new ATOM 0 HA2 GLY A 82 -4.425 9.684 -3.378 1.00 20.15 H new ATOM 0 HA3 GLY A 82 -5.711 10.343 -4.369 1.00 20.15 H new ATOM 1289 N PHE A 83 -3.977 12.740 -4.434 1.00 20.11 N ATOM 1290 CA PHE A 83 -3.043 13.625 -5.126 1.00 0.44 C ATOM 1291 C PHE A 83 -1.625 13.464 -4.586 1.00 63.20 C ATOM 1292 O PHE A 83 -1.421 13.125 -3.416 1.00 44.22 O ATOM 1293 CB PHE A 83 -3.480 15.089 -5.013 1.00 41.34 C ATOM 1294 CG PHE A 83 -4.731 15.418 -5.782 1.00 4.13 C ATOM 1295 CD1 PHE A 83 -4.986 14.822 -7.008 1.00 43.33 C ATOM 1296 CD2 PHE A 83 -5.646 16.333 -5.284 1.00 44.12 C ATOM 1297 CE1 PHE A 83 -6.131 15.127 -7.718 1.00 33.01 C ATOM 1298 CE2 PHE A 83 -6.795 16.641 -5.988 1.00 20.13 C ATOM 1299 CZ PHE A 83 -7.035 16.037 -7.208 1.00 72.42 C ATOM 0 H PHE A 83 -4.705 13.224 -3.908 1.00 20.11 H new ATOM 0 HA PHE A 83 -3.049 13.340 -6.178 1.00 0.44 H new ATOM 0 HB2 PHE A 83 -3.639 15.329 -3.962 1.00 41.34 H new ATOM 0 HB3 PHE A 83 -2.670 15.727 -5.367 1.00 41.34 H new ATOM 0 HD1 PHE A 83 -4.281 14.111 -7.412 1.00 43.33 H new ATOM 0 HD2 PHE A 83 -5.459 16.811 -4.334 1.00 44.12 H new ATOM 0 HE1 PHE A 83 -6.319 14.654 -8.671 1.00 33.01 H new ATOM 0 HE2 PHE A 83 -7.503 17.351 -5.586 1.00 20.13 H new ATOM 0 HZ PHE A 83 -7.930 16.277 -7.762 1.00 72.42 H new ATOM 1309 N CYS A 84 -0.651 13.725 -5.446 1.00 45.44 N ATOM 1310 CA CYS A 84 0.751 13.514 -5.118 1.00 45.51 C ATOM 1311 C CYS A 84 1.439 14.845 -4.810 1.00 71.20 C ATOM 1312 O CYS A 84 2.502 15.136 -5.357 1.00 41.33 O ATOM 1313 CB CYS A 84 1.452 12.825 -6.293 1.00 75.01 C ATOM 1314 SG CYS A 84 0.475 11.517 -7.075 1.00 22.22 S ATOM 0 H CYS A 84 -0.809 14.087 -6.386 1.00 45.44 H new ATOM 0 HA CYS A 84 0.814 12.881 -4.233 1.00 45.51 H new ATOM 0 HB2 CYS A 84 1.701 13.575 -7.044 1.00 75.01 H new ATOM 0 HB3 CYS A 84 2.393 12.400 -5.942 1.00 75.01 H new ATOM 0 HG CYS A 84 0.685 10.392 -6.459 1.00 22.22 H new ATOM 1320 N LEU A 85 0.823 15.639 -3.932 1.00 74.11 N ATOM 1321 CA LEU A 85 1.361 16.941 -3.518 1.00 51.13 C ATOM 1322 C LEU A 85 1.360 17.938 -4.677 1.00 0.32 C ATOM 1323 O LEU A 85 0.433 18.736 -4.815 1.00 52.43 O ATOM 1324 CB LEU A 85 2.779 16.795 -2.942 1.00 32.02 C ATOM 1325 CG LEU A 85 3.398 18.080 -2.386 1.00 25.33 C ATOM 1326 CD1 LEU A 85 2.673 18.521 -1.123 1.00 73.33 C ATOM 1327 CD2 LEU A 85 4.881 17.880 -2.117 1.00 2.22 C ATOM 0 H LEU A 85 -0.063 15.400 -3.487 1.00 74.11 H new ATOM 0 HA LEU A 85 0.708 17.328 -2.736 1.00 51.13 H new ATOM 0 HB2 LEU A 85 2.755 16.050 -2.147 1.00 32.02 H new ATOM 0 HB3 LEU A 85 3.432 16.406 -3.723 1.00 32.02 H new ATOM 0 HG LEU A 85 3.289 18.868 -3.131 1.00 25.33 H new ATOM 0 HD11 LEU A 85 3.128 19.436 -0.743 1.00 73.33 H new ATOM 0 HD12 LEU A 85 1.623 18.705 -1.352 1.00 73.33 H new ATOM 0 HD13 LEU A 85 2.748 17.738 -0.368 1.00 73.33 H new ATOM 0 HD21 LEU A 85 5.307 18.802 -1.722 1.00 2.22 H new ATOM 0 HD22 LEU A 85 5.014 17.079 -1.390 1.00 2.22 H new ATOM 0 HD23 LEU A 85 5.387 17.615 -3.046 1.00 2.22 H new ATOM 1339 N GLU A 86 2.391 17.882 -5.511 1.00 73.23 N ATOM 1340 CA GLU A 86 2.503 18.786 -6.646 1.00 34.22 C ATOM 1341 C GLU A 86 2.277 18.031 -7.948 1.00 5.31 C ATOM 1342 O GLU A 86 2.250 18.624 -9.027 1.00 41.34 O ATOM 1343 CB GLU A 86 3.878 19.459 -6.672 1.00 15.41 C ATOM 1344 CG GLU A 86 4.220 20.211 -5.397 1.00 31.20 C ATOM 1345 CD GLU A 86 5.482 21.036 -5.535 1.00 13.55 C ATOM 1346 OE1 GLU A 86 6.587 20.483 -5.353 1.00 11.42 O ATOM 1347 OE2 GLU A 86 5.372 22.239 -5.838 1.00 4.14 O ATOM 0 H GLU A 86 3.161 17.219 -5.422 1.00 73.23 H new ATOM 0 HA GLU A 86 1.739 19.556 -6.541 1.00 34.22 H new ATOM 0 HB2 GLU A 86 4.640 18.700 -6.850 1.00 15.41 H new ATOM 0 HB3 GLU A 86 3.916 20.152 -7.512 1.00 15.41 H new ATOM 0 HG2 GLU A 86 3.389 20.864 -5.130 1.00 31.20 H new ATOM 0 HG3 GLU A 86 4.342 19.500 -4.580 1.00 31.20 H new ATOM 1354 N ASP A 87 2.121 16.720 -7.839 1.00 23.11 N ATOM 1355 CA ASP A 87 1.890 15.878 -9.005 1.00 54.22 C ATOM 1356 C ASP A 87 0.518 15.227 -8.941 1.00 64.21 C ATOM 1357 O ASP A 87 -0.089 15.129 -7.874 1.00 61.31 O ATOM 1358 CB ASP A 87 2.965 14.791 -9.117 1.00 72.53 C ATOM 1359 CG ASP A 87 4.312 15.336 -9.543 1.00 35.21 C ATOM 1360 OD1 ASP A 87 5.113 15.707 -8.664 1.00 32.13 O ATOM 1361 OD2 ASP A 87 4.575 15.388 -10.764 1.00 21.31 O ATOM 0 H ASP A 87 2.150 16.215 -6.953 1.00 23.11 H new ATOM 0 HA ASP A 87 1.939 16.518 -9.886 1.00 54.22 H new ATOM 0 HB2 ASP A 87 3.069 14.290 -8.155 1.00 72.53 H new ATOM 0 HB3 ASP A 87 2.640 14.038 -9.835 1.00 72.53 H new ATOM 1366 N GLY A 88 0.035 14.789 -10.090 1.00 75.30 N ATOM 1367 CA GLY A 88 -1.215 14.064 -10.145 1.00 15.15 C ATOM 1368 C GLY A 88 -1.137 12.927 -11.134 1.00 61.03 C ATOM 1369 O GLY A 88 -2.142 12.528 -11.721 1.00 15.41 O ATOM 0 H GLY A 88 0.490 14.924 -10.993 1.00 75.30 H new ATOM 0 HA2 GLY A 88 -1.458 13.675 -9.156 1.00 15.15 H new ATOM 0 HA3 GLY A 88 -2.021 14.742 -10.427 1.00 15.15 H new ATOM 1373 N ALA A 89 0.075 12.420 -11.329 1.00 14.44 N ATOM 1374 CA ALA A 89 0.313 11.346 -12.280 1.00 54.22 C ATOM 1375 C ALA A 89 -0.147 10.015 -11.714 1.00 21.41 C ATOM 1376 O ALA A 89 -0.757 9.207 -12.414 1.00 21.15 O ATOM 1377 CB ALA A 89 1.790 11.281 -12.643 1.00 23.42 C ATOM 0 H ALA A 89 0.910 12.739 -10.838 1.00 14.44 H new ATOM 0 HA ALA A 89 -0.263 11.553 -13.182 1.00 54.22 H new ATOM 0 HB1 ALA A 89 1.954 10.473 -13.356 1.00 23.42 H new ATOM 0 HB2 ALA A 89 2.097 12.227 -13.090 1.00 23.42 H new ATOM 0 HB3 ALA A 89 2.378 11.097 -11.744 1.00 23.42 H new ATOM 1383 N TYR A 90 0.148 9.789 -10.443 1.00 63.32 N ATOM 1384 CA TYR A 90 -0.219 8.546 -9.790 1.00 31.12 C ATOM 1385 C TYR A 90 -1.187 8.815 -8.651 1.00 41.42 C ATOM 1386 O TYR A 90 -0.873 8.577 -7.485 1.00 12.21 O ATOM 1387 CB TYR A 90 1.023 7.818 -9.273 1.00 1.01 C ATOM 1388 CG TYR A 90 2.046 7.538 -10.350 1.00 60.23 C ATOM 1389 CD1 TYR A 90 1.796 6.596 -11.340 1.00 43.31 C ATOM 1390 CD2 TYR A 90 3.259 8.214 -10.377 1.00 1.23 C ATOM 1391 CE1 TYR A 90 2.722 6.340 -12.331 1.00 5.34 C ATOM 1392 CE2 TYR A 90 4.191 7.963 -11.366 1.00 74.53 C ATOM 1393 CZ TYR A 90 3.918 7.023 -12.339 1.00 5.43 C ATOM 1394 OH TYR A 90 4.843 6.768 -13.327 1.00 13.40 O ATOM 0 H TYR A 90 0.641 10.452 -9.845 1.00 63.32 H new ATOM 0 HA TYR A 90 -0.710 7.906 -10.523 1.00 31.12 H new ATOM 0 HB2 TYR A 90 1.486 8.417 -8.489 1.00 1.01 H new ATOM 0 HB3 TYR A 90 0.719 6.876 -8.817 1.00 1.01 H new ATOM 0 HD1 TYR A 90 0.861 6.055 -11.334 1.00 43.31 H new ATOM 0 HD2 TYR A 90 3.477 8.947 -9.614 1.00 1.23 H new ATOM 0 HE1 TYR A 90 2.510 5.608 -13.096 1.00 5.34 H new ATOM 0 HE2 TYR A 90 5.128 8.500 -11.377 1.00 74.53 H new ATOM 0 HH TYR A 90 5.632 7.333 -13.190 1.00 13.40 H new ATOM 1404 N SER A 91 -2.351 9.349 -8.994 1.00 42.20 N ATOM 1405 CA SER A 91 -3.397 9.583 -8.016 1.00 72.34 C ATOM 1406 C SER A 91 -3.906 8.251 -7.476 1.00 3.30 C ATOM 1407 O SER A 91 -4.584 7.500 -8.178 1.00 50.43 O ATOM 1408 CB SER A 91 -4.528 10.399 -8.647 1.00 43.11 C ATOM 1409 OG SER A 91 -4.749 10.011 -9.997 1.00 75.30 O ATOM 0 H SER A 91 -2.592 9.628 -9.945 1.00 42.20 H new ATOM 0 HA SER A 91 -2.995 10.156 -7.180 1.00 72.34 H new ATOM 0 HB2 SER A 91 -5.444 10.262 -8.072 1.00 43.11 H new ATOM 0 HB3 SER A 91 -4.281 11.460 -8.606 1.00 43.11 H new ATOM 0 HG SER A 91 -5.477 10.546 -10.376 1.00 75.30 H new ATOM 1415 N VAL A 92 -3.545 7.954 -6.237 1.00 43.13 N ATOM 1416 CA VAL A 92 -3.853 6.664 -5.644 1.00 1.45 C ATOM 1417 C VAL A 92 -5.352 6.501 -5.421 1.00 75.01 C ATOM 1418 O VAL A 92 -6.037 7.431 -4.991 1.00 42.44 O ATOM 1419 CB VAL A 92 -3.093 6.451 -4.310 1.00 41.31 C ATOM 1420 CG1 VAL A 92 -1.590 6.548 -4.533 1.00 44.53 C ATOM 1421 CG2 VAL A 92 -3.536 7.448 -3.250 1.00 45.13 C ATOM 0 H VAL A 92 -3.038 8.591 -5.623 1.00 43.13 H new ATOM 0 HA VAL A 92 -3.521 5.904 -6.351 1.00 1.45 H new ATOM 0 HB VAL A 92 -3.333 5.451 -3.948 1.00 41.31 H new ATOM 0 HG11 VAL A 92 -1.071 6.396 -3.586 1.00 44.53 H new ATOM 0 HG12 VAL A 92 -1.278 5.784 -5.245 1.00 44.53 H new ATOM 0 HG13 VAL A 92 -1.344 7.534 -4.928 1.00 44.53 H new ATOM 0 HG21 VAL A 92 -2.982 7.269 -2.328 1.00 45.13 H new ATOM 0 HG22 VAL A 92 -3.341 8.462 -3.600 1.00 45.13 H new ATOM 0 HG23 VAL A 92 -4.603 7.329 -3.061 1.00 45.13 H new ATOM 1431 N ALA A 93 -5.864 5.323 -5.750 1.00 42.12 N ATOM 1432 CA ALA A 93 -7.264 5.018 -5.518 1.00 43.32 C ATOM 1433 C ALA A 93 -7.516 4.843 -4.028 1.00 3.52 C ATOM 1434 O ALA A 93 -7.101 3.847 -3.427 1.00 2.31 O ATOM 1435 CB ALA A 93 -7.680 3.775 -6.287 1.00 13.33 C ATOM 0 H ALA A 93 -5.330 4.566 -6.177 1.00 42.12 H new ATOM 0 HA ALA A 93 -7.868 5.850 -5.879 1.00 43.32 H new ATOM 0 HB1 ALA A 93 -8.733 3.566 -6.098 1.00 13.33 H new ATOM 0 HB2 ALA A 93 -7.529 3.939 -7.354 1.00 13.33 H new ATOM 0 HB3 ALA A 93 -7.077 2.927 -5.962 1.00 13.33 H new ATOM 1441 N ALA A 94 -8.164 5.831 -3.434 1.00 50.41 N ATOM 1442 CA ALA A 94 -8.441 5.815 -2.011 1.00 60.31 C ATOM 1443 C ALA A 94 -9.635 4.926 -1.702 1.00 24.01 C ATOM 1444 O ALA A 94 -10.783 5.375 -1.702 1.00 22.30 O ATOM 1445 CB ALA A 94 -8.673 7.229 -1.495 1.00 2.15 C ATOM 0 H ALA A 94 -8.509 6.658 -3.920 1.00 50.41 H new ATOM 0 HA ALA A 94 -7.572 5.402 -1.499 1.00 60.31 H new ATOM 0 HB1 ALA A 94 -8.879 7.197 -0.425 1.00 2.15 H new ATOM 0 HB2 ALA A 94 -7.783 7.832 -1.675 1.00 2.15 H new ATOM 0 HB3 ALA A 94 -9.523 7.671 -2.015 1.00 2.15 H new ATOM 1451 N TYR A 95 -9.357 3.652 -1.491 1.00 73.43 N ATOM 1452 CA TYR A 95 -10.376 2.706 -1.072 1.00 74.42 C ATOM 1453 C TYR A 95 -10.615 2.835 0.424 1.00 74.12 C ATOM 1454 O TYR A 95 -9.937 3.608 1.104 1.00 53.11 O ATOM 1455 CB TYR A 95 -9.964 1.271 -1.413 1.00 32.55 C ATOM 1456 CG TYR A 95 -9.835 1.011 -2.897 1.00 23.22 C ATOM 1457 CD1 TYR A 95 -10.885 1.289 -3.763 1.00 2.42 C ATOM 1458 CD2 TYR A 95 -8.668 0.484 -3.431 1.00 15.04 C ATOM 1459 CE1 TYR A 95 -10.773 1.053 -5.119 1.00 32.30 C ATOM 1460 CE2 TYR A 95 -8.549 0.244 -4.787 1.00 15.51 C ATOM 1461 CZ TYR A 95 -9.604 0.528 -5.624 1.00 25.34 C ATOM 1462 OH TYR A 95 -9.490 0.294 -6.975 1.00 3.44 O ATOM 0 H TYR A 95 -8.428 3.247 -1.604 1.00 73.43 H new ATOM 0 HA TYR A 95 -11.298 2.933 -1.608 1.00 74.42 H new ATOM 0 HB2 TYR A 95 -9.011 1.052 -0.931 1.00 32.55 H new ATOM 0 HB3 TYR A 95 -10.699 0.583 -0.995 1.00 32.55 H new ATOM 0 HD1 TYR A 95 -11.804 1.697 -3.369 1.00 2.42 H new ATOM 0 HD2 TYR A 95 -7.839 0.258 -2.777 1.00 15.04 H new ATOM 0 HE1 TYR A 95 -11.597 1.279 -5.780 1.00 32.30 H new ATOM 0 HE2 TYR A 95 -7.633 -0.164 -5.188 1.00 15.51 H new ATOM 0 HH TYR A 95 -8.604 -0.076 -7.169 1.00 3.44 H new ATOM 1472 N ASP A 96 -11.577 2.093 0.935 1.00 44.11 N ATOM 1473 CA ASP A 96 -11.874 2.134 2.355 1.00 3.33 C ATOM 1474 C ASP A 96 -11.557 0.791 2.991 1.00 1.33 C ATOM 1475 O ASP A 96 -11.668 -0.255 2.346 1.00 14.40 O ATOM 1476 CB ASP A 96 -13.337 2.515 2.596 1.00 61.45 C ATOM 1477 CG ASP A 96 -13.578 2.996 4.013 1.00 13.31 C ATOM 1478 OD1 ASP A 96 -12.953 4.000 4.419 1.00 73.21 O ATOM 1479 OD2 ASP A 96 -14.391 2.381 4.731 1.00 12.15 O ATOM 0 H ASP A 96 -12.164 1.458 0.394 1.00 44.11 H new ATOM 0 HA ASP A 96 -11.249 2.898 2.818 1.00 3.33 H new ATOM 0 HB2 ASP A 96 -13.627 3.297 1.894 1.00 61.45 H new ATOM 0 HB3 ASP A 96 -13.973 1.653 2.394 1.00 61.45 H new ATOM 1484 N THR A 97 -11.132 0.837 4.240 1.00 12.21 N ATOM 1485 CA THR A 97 -10.743 -0.351 4.982 1.00 74.40 C ATOM 1486 C THR A 97 -11.467 -0.375 6.328 1.00 43.41 C ATOM 1487 O THR A 97 -11.893 0.671 6.825 1.00 0.03 O ATOM 1488 CB THR A 97 -9.231 -0.323 5.250 1.00 75.25 C ATOM 1489 OG1 THR A 97 -8.553 0.300 4.151 1.00 21.11 O ATOM 1490 CG2 THR A 97 -8.684 -1.723 5.452 1.00 61.12 C ATOM 0 H THR A 97 -11.046 1.703 4.772 1.00 12.21 H new ATOM 0 HA THR A 97 -11.005 -1.232 4.396 1.00 74.40 H new ATOM 0 HB THR A 97 -9.061 0.249 6.162 1.00 75.25 H new ATOM 0 HG1 THR A 97 -8.681 1.271 4.195 1.00 21.11 H new ATOM 0 HG21 THR A 97 -7.612 -1.671 5.640 1.00 61.12 H new ATOM 0 HG22 THR A 97 -9.179 -2.188 6.304 1.00 61.12 H new ATOM 0 HG23 THR A 97 -8.867 -2.318 4.557 1.00 61.12 H new ATOM 1498 N GLN A 98 -11.604 -1.554 6.913 1.00 14.23 N ATOM 1499 CA GLN A 98 -12.193 -1.679 8.237 1.00 22.14 C ATOM 1500 C GLN A 98 -11.679 -2.919 8.950 1.00 42.10 C ATOM 1501 O GLN A 98 -11.436 -3.956 8.331 1.00 41.04 O ATOM 1502 CB GLN A 98 -13.726 -1.700 8.168 1.00 21.33 C ATOM 1503 CG GLN A 98 -14.312 -2.796 7.290 1.00 53.33 C ATOM 1504 CD GLN A 98 -15.830 -2.742 7.231 1.00 74.20 C ATOM 1505 OE1 GLN A 98 -16.500 -3.761 7.061 1.00 73.52 O ATOM 1506 NE2 GLN A 98 -16.384 -1.546 7.364 1.00 63.51 N ATOM 0 H GLN A 98 -11.316 -2.438 6.493 1.00 14.23 H new ATOM 0 HA GLN A 98 -11.891 -0.802 8.810 1.00 22.14 H new ATOM 0 HB2 GLN A 98 -14.119 -1.814 9.178 1.00 21.33 H new ATOM 0 HB3 GLN A 98 -14.072 -0.735 7.799 1.00 21.33 H new ATOM 0 HG2 GLN A 98 -13.908 -2.704 6.282 1.00 53.33 H new ATOM 0 HG3 GLN A 98 -14.000 -3.769 7.671 1.00 53.33 H new ATOM 0 HE21 GLN A 98 -15.796 -0.724 7.503 1.00 63.51 H new ATOM 0 HE22 GLN A 98 -17.398 -1.447 7.327 1.00 63.51 H new ATOM 1515 N VAL A 99 -11.490 -2.787 10.251 1.00 73.15 N ATOM 1516 CA VAL A 99 -11.085 -3.898 11.094 1.00 1.33 C ATOM 1517 C VAL A 99 -12.270 -4.318 11.955 1.00 42.52 C ATOM 1518 O VAL A 99 -12.564 -3.695 12.975 1.00 25.05 O ATOM 1519 CB VAL A 99 -9.886 -3.524 11.995 1.00 35.30 C ATOM 1520 CG1 VAL A 99 -9.432 -4.716 12.827 1.00 4.12 C ATOM 1521 CG2 VAL A 99 -8.736 -2.977 11.156 1.00 32.05 C ATOM 0 H VAL A 99 -11.613 -1.907 10.753 1.00 73.15 H new ATOM 0 HA VAL A 99 -10.769 -4.722 10.455 1.00 1.33 H new ATOM 0 HB VAL A 99 -10.210 -2.743 12.683 1.00 35.30 H new ATOM 0 HG11 VAL A 99 -8.587 -4.424 13.451 1.00 4.12 H new ATOM 0 HG12 VAL A 99 -10.253 -5.051 13.461 1.00 4.12 H new ATOM 0 HG13 VAL A 99 -9.130 -5.528 12.165 1.00 4.12 H new ATOM 0 HG21 VAL A 99 -7.901 -2.719 11.807 1.00 32.05 H new ATOM 0 HG22 VAL A 99 -8.417 -3.733 10.439 1.00 32.05 H new ATOM 0 HG23 VAL A 99 -9.067 -2.087 10.621 1.00 32.05 H new ATOM 1531 N THR A 100 -12.966 -5.353 11.527 1.00 23.31 N ATOM 1532 CA THR A 100 -14.232 -5.708 12.144 1.00 2.41 C ATOM 1533 C THR A 100 -14.075 -6.766 13.238 1.00 51.10 C ATOM 1534 O THR A 100 -14.791 -6.739 14.241 1.00 70.23 O ATOM 1535 CB THR A 100 -15.247 -6.170 11.074 1.00 54.14 C ATOM 1536 OG1 THR A 100 -16.487 -6.547 11.685 1.00 65.33 O ATOM 1537 CG2 THR A 100 -14.697 -7.332 10.263 1.00 62.11 C ATOM 0 H THR A 100 -12.680 -5.961 10.759 1.00 23.31 H new ATOM 0 HA THR A 100 -14.614 -4.809 12.628 1.00 2.41 H new ATOM 0 HB THR A 100 -15.423 -5.331 10.400 1.00 54.14 H new ATOM 0 HG1 THR A 100 -17.118 -6.835 10.993 1.00 65.33 H new ATOM 0 HG21 THR A 100 -15.432 -7.636 9.518 1.00 62.11 H new ATOM 0 HG22 THR A 100 -13.779 -7.024 9.762 1.00 62.11 H new ATOM 0 HG23 THR A 100 -14.485 -8.170 10.926 1.00 62.11 H new ATOM 1545 N ASN A 101 -13.141 -7.688 13.055 1.00 5.23 N ATOM 1546 CA ASN A 101 -12.921 -8.750 14.042 1.00 23.32 C ATOM 1547 C ASN A 101 -11.433 -8.967 14.272 1.00 31.21 C ATOM 1548 O ASN A 101 -10.993 -10.075 14.581 1.00 24.12 O ATOM 1549 CB ASN A 101 -13.573 -10.067 13.594 1.00 1.22 C ATOM 1550 CG ASN A 101 -15.083 -9.969 13.462 1.00 32.31 C ATOM 1551 OD1 ASN A 101 -15.815 -10.075 14.447 1.00 24.13 O ATOM 1552 ND2 ASN A 101 -15.559 -9.800 12.240 1.00 34.41 N ATOM 0 H ASN A 101 -12.526 -7.728 12.242 1.00 5.23 H new ATOM 0 HA ASN A 101 -13.385 -8.433 14.976 1.00 23.32 H new ATOM 0 HB2 ASN A 101 -13.149 -10.368 12.636 1.00 1.22 H new ATOM 0 HB3 ASN A 101 -13.327 -10.850 14.311 1.00 1.22 H new ATOM 0 HD21 ASN A 101 -16.566 -9.753 12.087 1.00 34.41 H new ATOM 0 HD22 ASN A 101 -14.919 -9.716 11.450 1.00 34.41 H new ATOM 1559 N GLY A 102 -10.662 -7.898 14.147 1.00 3.24 N ATOM 1560 CA GLY A 102 -9.218 -8.009 14.240 1.00 41.42 C ATOM 1561 C GLY A 102 -8.598 -8.275 12.889 1.00 62.15 C ATOM 1562 O GLY A 102 -7.382 -8.190 12.712 1.00 53.23 O ATOM 0 H GLY A 102 -11.009 -6.953 13.983 1.00 3.24 H new ATOM 0 HA2 GLY A 102 -8.807 -7.089 14.656 1.00 41.42 H new ATOM 0 HA3 GLY A 102 -8.957 -8.814 14.927 1.00 41.42 H new ATOM 1566 N ASN A 103 -9.450 -8.601 11.936 1.00 33.14 N ATOM 1567 CA ASN A 103 -9.033 -8.828 10.571 1.00 45.23 C ATOM 1568 C ASN A 103 -9.359 -7.613 9.715 1.00 14.11 C ATOM 1569 O ASN A 103 -10.300 -6.866 9.999 1.00 32.50 O ATOM 1570 CB ASN A 103 -9.684 -10.099 10.007 1.00 55.44 C ATOM 1571 CG ASN A 103 -11.158 -10.238 10.357 1.00 54.02 C ATOM 1572 OD1 ASN A 103 -11.887 -9.253 10.495 1.00 74.34 O ATOM 1573 ND2 ASN A 103 -11.596 -11.473 10.536 1.00 43.11 N ATOM 0 H ASN A 103 -10.452 -8.715 12.090 1.00 33.14 H new ATOM 0 HA ASN A 103 -7.953 -8.977 10.554 1.00 45.23 H new ATOM 0 HB2 ASN A 103 -9.575 -10.102 8.922 1.00 55.44 H new ATOM 0 HB3 ASN A 103 -9.147 -10.969 10.383 1.00 55.44 H new ATOM 0 HD21 ASN A 103 -12.568 -11.636 10.798 1.00 43.11 H new ATOM 0 HD22 ASN A 103 -10.962 -12.262 10.412 1.00 43.11 H new ATOM 1580 N VAL A 104 -8.555 -7.414 8.690 1.00 2.20 N ATOM 1581 CA VAL A 104 -8.649 -6.241 7.838 1.00 63.01 C ATOM 1582 C VAL A 104 -9.453 -6.542 6.579 1.00 54.13 C ATOM 1583 O VAL A 104 -9.094 -7.431 5.807 1.00 32.24 O ATOM 1584 CB VAL A 104 -7.237 -5.751 7.442 1.00 75.32 C ATOM 1585 CG1 VAL A 104 -7.309 -4.560 6.502 1.00 23.32 C ATOM 1586 CG2 VAL A 104 -6.429 -5.399 8.683 1.00 4.23 C ATOM 0 H VAL A 104 -7.815 -8.062 8.422 1.00 2.20 H new ATOM 0 HA VAL A 104 -9.160 -5.460 8.401 1.00 63.01 H new ATOM 0 HB VAL A 104 -6.737 -6.564 6.915 1.00 75.32 H new ATOM 0 HG11 VAL A 104 -6.300 -4.240 6.243 1.00 23.32 H new ATOM 0 HG12 VAL A 104 -7.844 -4.844 5.596 1.00 23.32 H new ATOM 0 HG13 VAL A 104 -7.835 -3.741 6.992 1.00 23.32 H new ATOM 0 HG21 VAL A 104 -5.438 -5.056 8.387 1.00 4.23 H new ATOM 0 HG22 VAL A 104 -6.937 -4.608 9.235 1.00 4.23 H new ATOM 0 HG23 VAL A 104 -6.333 -6.280 9.317 1.00 4.23 H new ATOM 1596 N GLN A 105 -10.545 -5.815 6.384 1.00 2.42 N ATOM 1597 CA GLN A 105 -11.343 -5.945 5.172 1.00 0.25 C ATOM 1598 C GLN A 105 -11.308 -4.644 4.380 1.00 5.24 C ATOM 1599 O GLN A 105 -11.308 -3.557 4.959 1.00 14.03 O ATOM 1600 CB GLN A 105 -12.794 -6.316 5.494 1.00 62.22 C ATOM 1601 CG GLN A 105 -12.940 -7.569 6.340 1.00 43.50 C ATOM 1602 CD GLN A 105 -14.362 -8.099 6.355 1.00 5.20 C ATOM 1603 OE1 GLN A 105 -15.187 -7.684 7.167 1.00 25.33 O ATOM 1604 NE2 GLN A 105 -14.654 -9.042 5.475 1.00 32.24 N ATOM 0 H GLN A 105 -10.899 -5.128 7.050 1.00 2.42 H new ATOM 0 HA GLN A 105 -10.912 -6.748 4.574 1.00 0.25 H new ATOM 0 HB2 GLN A 105 -13.264 -5.482 6.015 1.00 62.22 H new ATOM 0 HB3 GLN A 105 -13.338 -6.456 4.560 1.00 62.22 H new ATOM 0 HG2 GLN A 105 -12.272 -8.341 5.958 1.00 43.50 H new ATOM 0 HG3 GLN A 105 -12.626 -7.353 7.361 1.00 43.50 H new ATOM 0 HE21 GLN A 105 -13.944 -9.362 4.816 1.00 32.24 H new ATOM 0 HE22 GLN A 105 -15.589 -9.449 5.455 1.00 32.24 H new ATOM 1613 N ILE A 106 -11.266 -4.763 3.064 1.00 50.43 N ATOM 1614 CA ILE A 106 -11.238 -3.615 2.172 1.00 60.54 C ATOM 1615 C ILE A 106 -12.415 -3.657 1.206 1.00 35.41 C ATOM 1616 O ILE A 106 -12.956 -4.727 0.922 1.00 23.11 O ATOM 1617 CB ILE A 106 -9.909 -3.547 1.378 1.00 0.14 C ATOM 1618 CG1 ILE A 106 -9.573 -4.888 0.704 1.00 15.21 C ATOM 1619 CG2 ILE A 106 -8.777 -3.137 2.298 1.00 75.33 C ATOM 1620 CD1 ILE A 106 -10.291 -5.134 -0.606 1.00 4.21 C ATOM 0 H ILE A 106 -11.250 -5.662 2.582 1.00 50.43 H new ATOM 0 HA ILE A 106 -11.314 -2.720 2.789 1.00 60.54 H new ATOM 0 HB ILE A 106 -10.034 -2.802 0.592 1.00 0.14 H new ATOM 0 HG12 ILE A 106 -8.498 -4.931 0.528 1.00 15.21 H new ATOM 0 HG13 ILE A 106 -9.816 -5.697 1.393 1.00 15.21 H new ATOM 0 HG21 ILE A 106 -7.847 -3.092 1.732 1.00 75.33 H new ATOM 0 HG22 ILE A 106 -8.991 -2.157 2.724 1.00 75.33 H new ATOM 0 HG23 ILE A 106 -8.678 -3.867 3.101 1.00 75.33 H new ATOM 0 HD11 ILE A 106 -9.993 -6.102 -1.008 1.00 4.21 H new ATOM 0 HD12 ILE A 106 -11.368 -5.127 -0.438 1.00 4.21 H new ATOM 0 HD13 ILE A 106 -10.030 -4.350 -1.317 1.00 4.21 H new ATOM 1632 N SER A 107 -12.820 -2.497 0.719 1.00 11.21 N ATOM 1633 CA SER A 107 -13.893 -2.421 -0.256 1.00 25.33 C ATOM 1634 C SER A 107 -13.345 -1.931 -1.587 1.00 24.44 C ATOM 1635 O SER A 107 -13.076 -0.739 -1.762 1.00 41.25 O ATOM 1636 CB SER A 107 -15.006 -1.490 0.234 1.00 10.04 C ATOM 1637 OG SER A 107 -16.154 -1.570 -0.597 1.00 11.22 O ATOM 0 H SER A 107 -12.422 -1.596 0.983 1.00 11.21 H new ATOM 0 HA SER A 107 -14.316 -3.417 -0.388 1.00 25.33 H new ATOM 0 HB2 SER A 107 -15.277 -1.752 1.257 1.00 10.04 H new ATOM 0 HB3 SER A 107 -14.641 -0.463 0.254 1.00 10.04 H new ATOM 0 HG SER A 107 -16.847 -0.966 -0.257 1.00 11.22 H new ATOM 1643 N ILE A 108 -13.150 -2.855 -2.514 1.00 24.04 N ATOM 1644 CA ILE A 108 -12.644 -2.507 -3.833 1.00 54.43 C ATOM 1645 C ILE A 108 -13.730 -2.649 -4.893 1.00 74.43 C ATOM 1646 O ILE A 108 -14.178 -3.753 -5.198 1.00 34.22 O ATOM 1647 CB ILE A 108 -11.417 -3.361 -4.231 1.00 62.43 C ATOM 1648 CG1 ILE A 108 -11.682 -4.854 -3.994 1.00 54.13 C ATOM 1649 CG2 ILE A 108 -10.181 -2.904 -3.468 1.00 73.24 C ATOM 1650 CD1 ILE A 108 -10.560 -5.759 -4.464 1.00 52.15 C ATOM 0 H ILE A 108 -13.334 -3.849 -2.379 1.00 24.04 H new ATOM 0 HA ILE A 108 -12.329 -1.465 -3.779 1.00 54.43 H new ATOM 0 HB ILE A 108 -11.237 -3.220 -5.297 1.00 62.43 H new ATOM 0 HG12 ILE A 108 -11.847 -5.019 -2.929 1.00 54.13 H new ATOM 0 HG13 ILE A 108 -12.602 -5.136 -4.507 1.00 54.13 H new ATOM 0 HG21 ILE A 108 -9.327 -3.515 -3.760 1.00 73.24 H new ATOM 0 HG22 ILE A 108 -9.976 -1.859 -3.700 1.00 73.24 H new ATOM 0 HG23 ILE A 108 -10.354 -3.010 -2.397 1.00 73.24 H new ATOM 0 HD11 ILE A 108 -10.822 -6.798 -4.262 1.00 52.15 H new ATOM 0 HD12 ILE A 108 -10.408 -5.624 -5.535 1.00 52.15 H new ATOM 0 HD13 ILE A 108 -9.642 -5.506 -3.933 1.00 52.15 H new ATOM 1662 N ALA A 109 -14.171 -1.521 -5.436 1.00 60.24 N ATOM 1663 CA ALA A 109 -15.143 -1.527 -6.521 1.00 52.21 C ATOM 1664 C ALA A 109 -14.440 -1.411 -7.867 1.00 63.43 C ATOM 1665 O ALA A 109 -15.063 -1.176 -8.904 1.00 71.33 O ATOM 1666 CB ALA A 109 -16.160 -0.406 -6.341 1.00 2.14 C ATOM 0 H ALA A 109 -13.871 -0.591 -5.143 1.00 60.24 H new ATOM 0 HA ALA A 109 -15.680 -2.475 -6.497 1.00 52.21 H new ATOM 0 HB1 ALA A 109 -16.876 -0.429 -7.162 1.00 2.14 H new ATOM 0 HB2 ALA A 109 -16.687 -0.541 -5.396 1.00 2.14 H new ATOM 0 HB3 ALA A 109 -15.645 0.555 -6.335 1.00 2.14 H new