USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot -140:sc= 0.439 USER MOD Set 1.2: A 192 BGC O3 : rot -43:sc= 0.165 USER MOD Set 2.1: A 73 TYR OH : rot 58:sc= 0.167 USER MOD Set 2.2: A 168 CYS SG : rot 72:sc= 0.333 USER MOD Set 3.1: A 166 LYS NZ :NH3+ 165:sc= 1.31 (180deg=0.574) USER MOD Set 3.2: A 191 GLC O3 : rot 140:sc= 0.104 USER MOD Set 4.1: A 109 HIS : no HD1:sc= 0.0216 X(o=0.046,f=-0.26) USER MOD Set 4.2: A 147 SER OG : rot 120:sc= 0.0239 USER MOD Set 5.1: A 15 ASN : amide:sc= -0.526 K(o=0.61,f=-0.27) USER MOD Set 5.2: A 63 THR OG1 : rot -73:sc= 1.13 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -35:sc= 0.0807 USER MOD Single : A 21 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-0.18) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-2.9!) USER MOD Single : A 29 TYR OH : rot 88:sc= -0.524 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0793) USER MOD Single : A 53 SER OG : rot 70:sc= -1.4 USER MOD Single : A 54 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.2) USER MOD Single : A 58 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.00082 K(o=0.00082,f=-0.55) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 90:sc= -0.666 USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= 0.987 (180deg=0.896) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.071) USER MOD Single : A 97 SER OG : rot 180:sc= -0.564 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.007 K(o=-0.007,f=-0.74) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= -0.0744 (180deg=-0.148) USER MOD Single : A 107 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.1!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.206) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot 150:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc=-0.00871 X(o=-0.0087,f=-0.047) USER MOD Single : A 134 SER OG : rot 180:sc= -0.123 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.143) USER MOD Single : A 154 SER OG : rot 20:sc= 0.00271 USER MOD Single : A 159 LYS NZ :NH3+ -170:sc= -0.0123 (180deg=-0.144) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -4.24! K(o=-4.2!,f=-0.88) USER MOD Single : A 173 MET CE :methyl 156:sc= -0.239 (180deg=-0.862) USER MOD Single : A 174 LYS NZ :NH3+ -115:sc= -0.119 (180deg=-0.174) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-3.3!) USER MOD Single : A 191 GLC O4 : rot 180:sc= 0 USER MOD Single : A 191 GLC O6 : rot -12:sc= 0.323 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot -79:sc= 0.0664 USER MOD Single : A 192 BGC O6 : rot -19:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.507 -26.443 4.860 1.00 8.93 N ATOM 2 CA GLY A 1 8.808 -26.512 5.582 1.00 8.42 C ATOM 3 C GLY A 1 9.200 -25.184 6.201 1.00 7.62 C ATOM 4 O GLY A 1 8.351 -24.468 6.737 1.00 7.93 O ATOM 0 H1 GLY A 1 7.285 -27.375 4.456 1.00 8.93 H new ATOM 0 H2 GLY A 1 6.756 -26.165 5.524 1.00 8.93 H new ATOM 0 H3 GLY A 1 7.571 -25.740 4.096 1.00 8.93 H new ATOM 0 HA2 GLY A 1 8.746 -27.269 6.364 1.00 8.42 H new ATOM 0 HA3 GLY A 1 9.587 -26.831 4.890 1.00 8.42 H new ATOM 10 N ALA A 2 10.514 -24.855 6.124 1.00 6.82 N ATOM 11 CA ALA A 2 11.068 -23.592 6.677 1.00 6.18 C ATOM 12 C ALA A 2 11.540 -22.625 5.551 1.00 5.26 C ATOM 13 O ALA A 2 12.268 -23.016 4.620 1.00 5.28 O ATOM 14 CB ALA A 2 12.221 -23.896 7.672 1.00 6.51 C ATOM 0 H ALA A 2 11.214 -25.451 5.682 1.00 6.82 H new ATOM 0 HA ALA A 2 10.268 -23.087 7.218 1.00 6.18 H new ATOM 0 HB1 ALA A 2 12.616 -22.960 8.068 1.00 6.51 H new ATOM 0 HB2 ALA A 2 11.842 -24.506 8.492 1.00 6.51 H new ATOM 0 HB3 ALA A 2 13.015 -24.435 7.155 1.00 6.51 H new ATOM 20 N MET A 3 11.085 -21.355 5.638 1.00 4.80 N ATOM 21 CA MET A 3 11.434 -20.318 4.647 1.00 4.18 C ATOM 22 C MET A 3 11.885 -19.011 5.325 1.00 3.48 C ATOM 23 O MET A 3 11.127 -18.391 6.082 1.00 3.94 O ATOM 24 CB MET A 3 10.234 -20.026 3.720 1.00 4.96 C ATOM 25 CG MET A 3 9.866 -21.170 2.763 1.00 5.72 C ATOM 26 SD MET A 3 8.404 -20.799 1.772 1.00 6.64 S ATOM 27 CE MET A 3 8.218 -22.316 0.834 1.00 7.64 C ATOM 0 H MET A 3 10.475 -21.025 6.386 1.00 4.80 H new ATOM 0 HA MET A 3 12.265 -20.705 4.057 1.00 4.18 H new ATOM 0 HB2 MET A 3 9.365 -19.793 4.336 1.00 4.96 H new ATOM 0 HB3 MET A 3 10.456 -19.136 3.131 1.00 4.96 H new ATOM 0 HG2 MET A 3 10.708 -21.371 2.101 1.00 5.72 H new ATOM 0 HG3 MET A 3 9.690 -22.079 3.339 1.00 5.72 H new ATOM 0 HE1 MET A 3 7.353 -22.233 0.176 1.00 7.64 H new ATOM 0 HE2 MET A 3 9.113 -22.486 0.236 1.00 7.64 H new ATOM 0 HE3 MET A 3 8.075 -23.152 1.519 1.00 7.64 H new ATOM 37 N SER A 4 13.132 -18.602 5.030 1.00 2.65 N ATOM 38 CA SER A 4 13.719 -17.370 5.588 1.00 2.27 C ATOM 39 C SER A 4 14.486 -16.581 4.515 1.00 1.31 C ATOM 40 O SER A 4 15.552 -17.010 4.054 1.00 0.88 O ATOM 41 CB SER A 4 14.657 -17.699 6.763 1.00 2.95 C ATOM 42 OG SER A 4 13.934 -17.878 7.971 1.00 3.86 O ATOM 0 H SER A 4 13.756 -19.111 4.404 1.00 2.65 H new ATOM 0 HA SER A 4 12.898 -16.751 5.950 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.221 -18.604 6.538 1.00 2.95 H new ATOM 0 HB3 SER A 4 15.382 -16.895 6.887 1.00 2.95 H new ATOM 0 HG SER A 4 14.558 -18.087 8.697 1.00 3.86 H new ATOM 48 N GLY A 5 13.930 -15.424 4.128 1.00 1.11 N ATOM 49 CA GLY A 5 14.560 -14.580 3.108 1.00 0.31 C ATOM 50 C GLY A 5 13.952 -13.188 2.966 1.00 0.28 C ATOM 51 O GLY A 5 14.692 -12.205 2.912 1.00 0.31 O ATOM 0 H GLY A 5 13.055 -15.056 4.502 1.00 1.11 H new ATOM 0 HA2 GLY A 5 15.619 -14.476 3.345 1.00 0.31 H new ATOM 0 HA3 GLY A 5 14.497 -15.089 2.146 1.00 0.31 H new ATOM 55 N LEU A 6 12.601 -13.095 2.903 1.00 0.23 N ATOM 56 CA LEU A 6 11.882 -11.800 2.774 1.00 0.22 C ATOM 57 C LEU A 6 11.629 -11.098 4.148 1.00 0.17 C ATOM 58 O LEU A 6 11.744 -9.864 4.262 1.00 0.16 O ATOM 59 CB LEU A 6 10.563 -12.026 1.998 1.00 0.24 C ATOM 60 CG LEU A 6 9.768 -10.758 1.583 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.615 -9.727 0.829 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.519 -11.088 0.758 1.00 0.35 C ATOM 0 H LEU A 6 11.983 -13.906 2.940 1.00 0.23 H new ATOM 0 HA LEU A 6 12.521 -11.116 2.216 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.793 -12.593 1.096 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.912 -12.650 2.610 1.00 0.24 H new ATOM 0 HG LEU A 6 9.459 -10.313 2.529 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.997 -8.868 0.570 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.441 -9.402 1.462 1.00 0.33 H new ATOM 0 HD13 LEU A 6 11.011 -10.177 -0.082 1.00 0.33 H new ATOM 0 HD21 LEU A 6 8.002 -10.165 0.495 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.812 -11.611 -0.152 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.854 -11.723 1.343 1.00 0.35 H new ATOM 74 N ALA A 7 11.278 -11.919 5.178 1.00 0.17 N ATOM 75 CA ALA A 7 11.069 -11.490 6.606 1.00 0.16 C ATOM 76 C ALA A 7 12.346 -10.850 7.291 1.00 0.15 C ATOM 77 O ALA A 7 12.222 -10.060 8.238 1.00 0.15 O ATOM 78 CB ALA A 7 10.589 -12.711 7.420 1.00 0.20 C ATOM 0 H ALA A 7 11.128 -12.919 5.044 1.00 0.17 H new ATOM 0 HA ALA A 7 10.321 -10.697 6.593 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.433 -12.418 8.458 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.653 -13.081 7.003 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.342 -13.497 7.375 1.00 0.20 H new ATOM 84 N ASP A 8 13.571 -11.189 6.771 1.00 0.16 N ATOM 85 CA ASP A 8 14.861 -10.640 7.266 1.00 0.18 C ATOM 86 C ASP A 8 15.268 -9.285 6.589 1.00 0.17 C ATOM 87 O ASP A 8 16.214 -8.633 7.043 1.00 0.21 O ATOM 88 CB ASP A 8 15.984 -11.672 7.064 1.00 0.21 C ATOM 89 CG ASP A 8 16.315 -12.449 8.334 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.667 -13.489 8.579 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.222 -12.017 9.076 1.00 0.32 O ATOM 0 H ASP A 8 13.681 -11.848 6.001 1.00 0.16 H new ATOM 0 HA ASP A 8 14.717 -10.432 8.326 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.690 -12.372 6.282 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.881 -11.161 6.713 1.00 0.21 H new ATOM 96 N LYS A 9 14.543 -8.871 5.510 1.00 0.14 N ATOM 97 CA LYS A 9 14.829 -7.605 4.792 1.00 0.14 C ATOM 98 C LYS A 9 13.812 -6.474 5.110 1.00 0.10 C ATOM 99 O LYS A 9 14.183 -5.305 4.993 1.00 0.10 O ATOM 100 CB LYS A 9 14.901 -7.795 3.251 1.00 0.19 C ATOM 101 CG LYS A 9 15.456 -9.158 2.770 1.00 0.32 C ATOM 102 CD LYS A 9 16.952 -9.353 3.114 1.00 0.92 C ATOM 103 CE LYS A 9 17.517 -10.668 2.554 1.00 1.20 C ATOM 104 NZ LYS A 9 18.946 -10.858 2.931 1.00 1.73 N ATOM 0 H LYS A 9 13.760 -9.398 5.124 1.00 0.14 H new ATOM 0 HA LYS A 9 15.808 -7.302 5.162 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.900 -7.665 2.840 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.522 -7.002 2.834 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.876 -9.962 3.224 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.323 -9.239 1.691 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.525 -8.516 2.716 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.078 -9.339 4.197 1.00 0.92 H new ATOM 0 HE2 LYS A 9 16.928 -11.506 2.927 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.423 -10.671 1.468 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.293 -11.755 2.536 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.512 -10.071 2.554 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.032 -10.880 3.967 1.00 1.73 H new ATOM 118 N VAL A 10 12.521 -6.807 5.494 1.00 0.09 N ATOM 119 CA VAL A 10 11.455 -5.790 5.870 1.00 0.07 C ATOM 120 C VAL A 10 11.883 -4.708 6.963 1.00 0.06 C ATOM 121 O VAL A 10 12.532 -5.032 7.967 1.00 0.09 O ATOM 122 CB VAL A 10 10.072 -6.550 6.231 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.047 -7.333 7.589 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.818 -5.630 6.140 1.00 0.10 C ATOM 0 H VAL A 10 12.195 -7.772 5.551 1.00 0.09 H new ATOM 0 HA VAL A 10 11.301 -5.173 4.985 1.00 0.07 H new ATOM 0 HB VAL A 10 10.027 -7.304 5.445 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.071 -7.800 7.722 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.819 -8.102 7.580 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.233 -6.642 8.411 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.927 -6.204 6.394 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.925 -4.798 6.836 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.723 -5.243 5.125 1.00 0.10 H new ATOM 134 N ILE A 11 11.499 -3.442 6.709 1.00 0.06 N ATOM 135 CA ILE A 11 11.795 -2.334 7.655 1.00 0.07 C ATOM 136 C ILE A 11 10.514 -1.609 8.134 1.00 0.07 C ATOM 137 O ILE A 11 10.485 -1.104 9.260 1.00 0.08 O ATOM 138 CB ILE A 11 12.819 -1.257 7.100 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.476 -0.834 5.627 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.296 -1.770 7.243 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.750 0.640 5.291 1.00 0.16 C ATOM 0 H ILE A 11 10.991 -3.158 5.872 1.00 0.06 H new ATOM 0 HA ILE A 11 12.270 -2.835 8.498 1.00 0.07 H new ATOM 0 HB ILE A 11 12.725 -0.357 7.708 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.050 -1.459 4.943 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.422 -1.043 5.442 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.982 -1.016 6.856 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.516 -1.956 8.294 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.417 -2.694 6.678 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.481 0.832 4.252 1.00 0.16 H new ATOM 0 HD12 ILE A 11 12.155 1.279 5.944 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.808 0.856 5.438 1.00 0.16 H new ATOM 153 N TRP A 12 9.454 -1.567 7.282 1.00 0.06 N ATOM 154 CA TRP A 12 8.200 -0.869 7.624 1.00 0.07 C ATOM 155 C TRP A 12 7.038 -1.295 6.676 1.00 0.08 C ATOM 156 O TRP A 12 7.098 -1.069 5.475 1.00 0.10 O ATOM 157 CB TRP A 12 8.506 0.638 7.541 1.00 0.10 C ATOM 158 CG TRP A 12 7.433 1.560 8.027 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.279 2.108 9.269 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.387 2.063 7.232 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.177 2.924 9.282 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.610 2.907 8.032 1.00 0.30 C ATOM 163 CE3 TRP A 12 6.043 1.863 5.905 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.496 3.559 7.530 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.959 2.494 5.402 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.184 3.344 6.204 1.00 0.54 C ATOM 0 H TRP A 12 9.450 -2.007 6.362 1.00 0.06 H new ATOM 0 HA TRP A 12 7.860 -1.129 8.626 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.412 0.835 8.114 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.726 0.886 6.502 1.00 0.10 H new ATOM 0 HD1 TRP A 12 7.927 1.926 10.113 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.836 3.454 10.084 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.634 1.210 5.280 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.897 4.209 8.151 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.686 2.342 4.368 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.326 3.840 5.775 1.00 0.54 H new ATOM 177 N ALA A 13 5.967 -1.934 7.231 1.00 0.09 N ATOM 178 CA ALA A 13 4.775 -2.382 6.424 1.00 0.12 C ATOM 179 C ALA A 13 3.435 -2.069 7.153 1.00 0.16 C ATOM 180 O ALA A 13 3.326 -2.267 8.374 1.00 0.19 O ATOM 181 CB ALA A 13 4.852 -3.898 6.086 1.00 0.14 C ATOM 0 H ALA A 13 5.898 -2.152 8.225 1.00 0.09 H new ATOM 0 HA ALA A 13 4.799 -1.817 5.492 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.977 -4.186 5.504 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.754 -4.096 5.507 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.879 -4.476 7.010 1.00 0.14 H new ATOM 187 N VAL A 14 2.412 -1.546 6.414 1.00 0.20 N ATOM 188 CA VAL A 14 1.100 -1.224 7.055 1.00 0.26 C ATOM 189 C VAL A 14 -0.178 -1.342 6.114 1.00 0.27 C ATOM 190 O VAL A 14 -0.180 -0.888 4.975 1.00 0.28 O ATOM 191 CB VAL A 14 1.174 0.159 7.934 1.00 0.34 C ATOM 192 CG1 VAL A 14 1.471 1.433 7.139 1.00 0.80 C ATOM 193 CG2 VAL A 14 -0.072 0.452 8.808 1.00 1.05 C ATOM 0 H VAL A 14 2.464 -1.345 5.415 1.00 0.20 H new ATOM 0 HA VAL A 14 0.925 -2.034 7.763 1.00 0.26 H new ATOM 0 HB VAL A 14 2.026 -0.073 8.573 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.497 2.287 7.816 1.00 0.80 H new ATOM 0 HG12 VAL A 14 2.436 1.335 6.641 1.00 0.80 H new ATOM 0 HG13 VAL A 14 0.692 1.586 6.393 1.00 0.80 H new ATOM 0 HG21 VAL A 14 0.075 1.387 9.349 1.00 1.05 H new ATOM 0 HG22 VAL A 14 -0.952 0.536 8.170 1.00 1.05 H new ATOM 0 HG23 VAL A 14 -0.216 -0.361 9.520 1.00 1.05 H new ATOM 203 N ASN A 15 -1.272 -1.933 6.686 1.00 0.33 N ATOM 204 CA ASN A 15 -2.595 -2.028 6.013 1.00 0.43 C ATOM 205 C ASN A 15 -3.618 -1.169 6.802 1.00 0.46 C ATOM 206 O ASN A 15 -4.020 -1.522 7.900 1.00 0.55 O ATOM 207 CB ASN A 15 -3.132 -3.518 5.818 1.00 0.56 C ATOM 208 CG ASN A 15 -4.397 -3.630 4.947 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.473 -3.086 3.855 1.00 2.05 O ATOM 210 ND2 ASN A 15 -5.398 -4.338 5.455 1.00 2.11 N ATOM 0 H ASN A 15 -1.256 -2.351 7.616 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.467 -1.646 5.000 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.342 -4.120 5.369 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.341 -3.947 6.798 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -6.267 -4.442 4.931 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -5.299 -4.778 6.370 1.00 2.11 H new ATOM 217 N ALA A 16 -4.070 -0.052 6.181 1.00 0.47 N ATOM 218 CA ALA A 16 -5.078 0.849 6.782 1.00 0.54 C ATOM 219 C ALA A 16 -6.508 0.276 6.572 1.00 0.58 C ATOM 220 O ALA A 16 -7.025 0.191 5.414 1.00 0.63 O ATOM 221 CB ALA A 16 -4.936 2.290 6.234 1.00 0.59 C ATOM 0 H ALA A 16 -3.749 0.245 5.260 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.902 0.905 7.856 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.690 2.930 6.693 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.943 2.673 6.469 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.075 2.284 5.153 1.00 0.59 H new ATOM 227 N GLY A 17 -7.040 -0.228 7.720 1.00 0.58 N ATOM 228 CA GLY A 17 -8.354 -0.851 7.796 1.00 0.61 C ATOM 229 C GLY A 17 -8.660 -1.514 9.137 1.00 0.62 C ATOM 230 O GLY A 17 -9.596 -1.107 9.825 1.00 0.71 O ATOM 0 H GLY A 17 -6.550 -0.204 8.614 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -9.113 -0.095 7.596 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.434 -1.599 7.008 1.00 0.61 H new ATOM 234 N GLY A 18 -7.852 -2.531 9.513 1.00 0.72 N ATOM 235 CA GLY A 18 -8.075 -3.277 10.767 1.00 0.73 C ATOM 236 C GLY A 18 -7.037 -3.004 11.857 1.00 0.68 C ATOM 237 O GLY A 18 -7.006 -1.904 12.419 1.00 0.80 O ATOM 0 H GLY A 18 -7.049 -2.850 8.971 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -9.064 -3.028 11.153 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -8.079 -4.344 10.545 1.00 0.73 H new ATOM 241 N GLU A 19 -6.186 -4.016 12.156 1.00 0.59 N ATOM 242 CA GLU A 19 -5.121 -3.894 13.177 1.00 0.60 C ATOM 243 C GLU A 19 -4.157 -5.116 13.155 1.00 0.54 C ATOM 244 O GLU A 19 -4.581 -6.252 13.387 1.00 0.65 O ATOM 245 CB GLU A 19 -5.743 -3.676 14.605 1.00 0.77 C ATOM 246 CG GLU A 19 -6.172 -4.940 15.364 1.00 1.43 C ATOM 247 CD GLU A 19 -6.820 -4.627 16.699 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.080 -4.381 17.676 1.00 1.63 O ATOM 249 OE2 GLU A 19 -8.068 -4.631 16.770 1.00 1.50 O ATOM 0 H GLU A 19 -6.219 -4.928 11.701 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.524 -3.016 12.931 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -5.016 -3.141 15.216 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.613 -3.027 14.503 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -6.870 -5.509 14.750 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -5.301 -5.575 15.527 1.00 1.43 H new ATOM 256 N SER A 20 -2.843 -4.844 12.854 1.00 0.48 N ATOM 257 CA SER A 20 -1.687 -5.840 12.816 1.00 0.45 C ATOM 258 C SER A 20 -1.900 -7.238 12.128 1.00 0.43 C ATOM 259 O SER A 20 -2.664 -8.069 12.633 1.00 0.51 O ATOM 260 CB SER A 20 -1.173 -6.079 14.244 1.00 0.52 C ATOM 261 OG SER A 20 -0.207 -5.110 14.616 1.00 1.00 O ATOM 0 H SER A 20 -2.538 -3.899 12.622 1.00 0.48 H new ATOM 0 HA SER A 20 -0.976 -5.341 12.158 1.00 0.45 H new ATOM 0 HB2 SER A 20 -2.009 -6.048 14.943 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.736 -7.075 14.313 1.00 0.52 H new ATOM 0 HG SER A 20 0.337 -4.874 13.836 1.00 1.00 H new ATOM 267 N HIS A 21 -1.190 -7.506 11.006 1.00 0.39 N ATOM 268 CA HIS A 21 -1.310 -8.841 10.325 1.00 0.40 C ATOM 269 C HIS A 21 0.011 -9.329 9.697 1.00 0.40 C ATOM 270 O HIS A 21 0.723 -8.581 9.039 1.00 0.41 O ATOM 271 CB HIS A 21 -2.435 -8.859 9.235 1.00 0.43 C ATOM 272 CG HIS A 21 -2.544 -10.165 8.440 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.200 -11.283 8.904 1.00 0.39 N ATOM 274 CD2 HIS A 21 -2.028 -10.536 7.227 1.00 0.45 C ATOM 275 CE1 HIS A 21 -3.070 -12.257 8.015 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.372 -11.825 7.007 1.00 0.43 N ATOM 0 H HIS A 21 -0.549 -6.851 10.558 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.579 -9.530 11.125 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.392 -8.664 9.719 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.258 -8.040 8.538 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.449 -9.910 6.564 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.479 -13.252 8.112 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -2.124 -12.371 6.182 1.00 0.43 H new ATOM 285 N VAL A 22 0.260 -10.647 9.844 1.00 0.41 N ATOM 286 CA VAL A 22 1.448 -11.310 9.268 1.00 0.43 C ATOM 287 C VAL A 22 1.032 -12.181 8.021 1.00 0.44 C ATOM 288 O VAL A 22 0.292 -13.166 8.133 1.00 0.48 O ATOM 289 CB VAL A 22 2.345 -12.045 10.413 1.00 0.49 C ATOM 290 CG1 VAL A 22 1.730 -13.316 11.067 1.00 1.38 C ATOM 291 CG2 VAL A 22 3.789 -12.358 9.943 1.00 1.39 C ATOM 0 H VAL A 22 -0.352 -11.278 10.362 1.00 0.41 H new ATOM 0 HA VAL A 22 2.139 -10.569 8.865 1.00 0.43 H new ATOM 0 HB VAL A 22 2.364 -11.286 11.195 1.00 0.49 H new ATOM 0 HG11 VAL A 22 2.421 -13.713 11.811 1.00 1.38 H new ATOM 0 HG12 VAL A 22 0.787 -13.057 11.548 1.00 1.38 H new ATOM 0 HG13 VAL A 22 1.551 -14.070 10.300 1.00 1.38 H new ATOM 0 HG21 VAL A 22 4.336 -12.847 10.749 1.00 1.39 H new ATOM 0 HG22 VAL A 22 3.754 -13.018 9.076 1.00 1.39 H new ATOM 0 HG23 VAL A 22 4.293 -11.430 9.673 1.00 1.39 H new ATOM 301 N ASP A 23 1.529 -11.752 6.839 1.00 0.41 N ATOM 302 CA ASP A 23 1.241 -12.426 5.539 1.00 0.44 C ATOM 303 C ASP A 23 2.190 -13.626 5.249 1.00 0.43 C ATOM 304 O ASP A 23 3.280 -13.713 5.832 1.00 0.41 O ATOM 305 CB ASP A 23 1.151 -11.408 4.325 1.00 0.49 C ATOM 306 CG ASP A 23 2.303 -10.429 4.110 1.00 1.04 C ATOM 307 OD1 ASP A 23 2.317 -9.376 4.779 1.00 1.85 O ATOM 308 OD2 ASP A 23 3.152 -10.711 3.236 1.00 1.46 O ATOM 0 H ASP A 23 2.136 -10.937 6.752 1.00 0.41 H new ATOM 0 HA ASP A 23 0.245 -12.857 5.646 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.036 -11.991 3.411 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.238 -10.825 4.448 1.00 0.49 H new ATOM 313 N VAL A 24 1.742 -14.486 4.282 1.00 0.47 N ATOM 314 CA VAL A 24 2.385 -15.815 3.829 1.00 0.50 C ATOM 315 C VAL A 24 3.945 -15.913 3.662 1.00 0.47 C ATOM 316 O VAL A 24 4.497 -17.004 3.831 1.00 0.51 O ATOM 317 CB VAL A 24 1.706 -16.444 2.508 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.405 -17.206 2.832 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.405 -15.421 1.363 1.00 0.58 C ATOM 0 H VAL A 24 0.889 -14.286 3.760 1.00 0.47 H new ATOM 0 HA VAL A 24 2.165 -16.394 4.726 1.00 0.50 H new ATOM 0 HB VAL A 24 2.471 -17.127 2.138 1.00 0.57 H new ATOM 0 HG11 VAL A 24 -0.017 -17.612 1.913 1.00 0.72 H new ATOM 0 HG12 VAL A 24 0.623 -18.021 3.522 1.00 0.72 H new ATOM 0 HG13 VAL A 24 -0.312 -16.524 3.290 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.950 -15.942 0.520 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.721 -14.656 1.729 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.335 -14.952 1.041 1.00 0.58 H new ATOM 329 N HIS A 25 4.633 -14.806 3.338 1.00 0.42 N ATOM 330 CA HIS A 25 6.119 -14.801 3.222 1.00 0.40 C ATOM 331 C HIS A 25 6.809 -14.451 4.583 1.00 0.36 C ATOM 332 O HIS A 25 7.988 -14.747 4.793 1.00 0.39 O ATOM 333 CB HIS A 25 6.567 -13.798 2.149 1.00 0.38 C ATOM 334 CG HIS A 25 5.879 -13.964 0.818 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.095 -15.042 -0.016 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.961 -13.185 0.188 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.343 -14.920 -1.096 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.647 -13.804 -0.996 1.00 0.51 N ATOM 0 H HIS A 25 4.197 -13.903 3.151 1.00 0.42 H new ATOM 0 HA HIS A 25 6.424 -15.808 2.936 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.386 -12.787 2.515 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.643 -13.896 2.003 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.554 -12.253 0.551 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.305 -15.616 -1.921 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.982 -13.457 -1.687 1.00 0.51 H new ATOM 347 N GLY A 26 6.021 -13.821 5.485 1.00 0.34 N ATOM 348 CA GLY A 26 6.453 -13.419 6.821 1.00 0.32 C ATOM 349 C GLY A 26 6.572 -11.909 7.003 1.00 0.27 C ATOM 350 O GLY A 26 7.483 -11.424 7.676 1.00 0.26 O ATOM 0 H GLY A 26 5.050 -13.578 5.289 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.746 -13.809 7.554 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.418 -13.878 7.034 1.00 0.32 H new ATOM 354 N ILE A 27 5.614 -11.175 6.412 1.00 0.26 N ATOM 355 CA ILE A 27 5.578 -9.699 6.469 1.00 0.23 C ATOM 356 C ILE A 27 4.429 -9.237 7.435 1.00 0.26 C ATOM 357 O ILE A 27 3.271 -9.584 7.243 1.00 0.33 O ATOM 358 CB ILE A 27 5.466 -9.143 4.973 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.723 -9.504 4.085 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.152 -7.618 4.802 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.129 -9.153 4.600 1.00 0.55 C ATOM 0 H ILE A 27 4.844 -11.584 5.882 1.00 0.26 H new ATOM 0 HA ILE A 27 6.491 -9.279 6.890 1.00 0.23 H new ATOM 0 HB ILE A 27 4.581 -9.673 4.621 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.699 -10.578 3.903 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.595 -9.014 3.120 1.00 0.18 H new ATOM 0 HG21 ILE A 27 5.103 -7.373 3.741 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.195 -7.389 5.271 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.938 -7.029 5.274 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.874 -9.469 3.869 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.203 -8.076 4.751 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.308 -9.665 5.546 1.00 0.55 H new ATOM 373 N HIS A 28 4.774 -8.420 8.437 1.00 0.25 N ATOM 374 CA HIS A 28 3.789 -7.954 9.427 1.00 0.30 C ATOM 375 C HIS A 28 3.435 -6.445 9.328 1.00 0.28 C ATOM 376 O HIS A 28 4.317 -5.581 9.273 1.00 0.28 O ATOM 377 CB HIS A 28 4.334 -8.271 10.830 1.00 0.40 C ATOM 378 CG HIS A 28 3.303 -8.474 11.913 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.219 -9.632 12.659 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.335 -7.655 12.395 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.248 -9.514 13.548 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.697 -8.324 13.408 1.00 1.34 N ATOM 0 H HIS A 28 5.720 -8.069 8.586 1.00 0.25 H new ATOM 0 HA HIS A 28 2.857 -8.480 9.221 1.00 0.30 H new ATOM 0 HB2 HIS A 28 4.945 -9.171 10.765 1.00 0.40 H new ATOM 0 HB3 HIS A 28 4.994 -7.459 11.133 1.00 0.40 H new ATOM 0 HD1 HIS A 28 3.814 -10.452 12.542 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.108 -6.659 12.045 1.00 0.96 H new ATOM 0 HE1 HIS A 28 1.955 -10.265 14.267 1.00 1.30 H new ATOM 391 N TYR A 29 2.096 -6.160 9.315 1.00 0.33 N ATOM 392 CA TYR A 29 1.530 -4.791 9.309 1.00 0.38 C ATOM 393 C TYR A 29 1.446 -4.232 10.759 1.00 0.45 C ATOM 394 O TYR A 29 0.959 -4.921 11.669 1.00 0.46 O ATOM 395 CB TYR A 29 0.125 -4.804 8.561 1.00 0.45 C ATOM 396 CG TYR A 29 -1.098 -4.086 9.225 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.987 -2.797 9.741 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.369 -4.674 9.285 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.047 -2.133 10.290 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.449 -3.988 9.828 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.263 -2.717 10.327 1.00 2.21 C ATOM 402 OH TYR A 29 -4.304 -2.005 10.847 1.00 2.79 O ATOM 0 H TYR A 29 1.381 -6.888 9.308 1.00 0.33 H new ATOM 0 HA TYR A 29 2.185 -4.115 8.759 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.273 -4.359 7.577 1.00 0.45 H new ATOM 0 HB3 TYR A 29 -0.153 -5.846 8.401 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.027 -2.304 9.706 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.511 -5.674 8.904 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.912 -1.141 10.694 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.426 -4.447 9.859 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.724 -1.474 10.138 1.00 2.79 H new ATOM 412 N ARG A 30 1.846 -2.938 10.894 1.00 0.54 N ATOM 413 CA ARG A 30 1.888 -2.203 12.178 1.00 0.63 C ATOM 414 C ARG A 30 0.602 -1.397 12.493 1.00 0.91 C ATOM 415 O ARG A 30 0.397 -0.300 11.974 1.00 1.87 O ATOM 416 CB ARG A 30 3.098 -1.247 12.183 1.00 0.72 C ATOM 417 CG ARG A 30 4.467 -1.951 12.075 1.00 0.68 C ATOM 418 CD ARG A 30 5.633 -0.960 11.940 1.00 0.87 C ATOM 419 NE ARG A 30 6.923 -1.647 11.932 1.00 1.70 N ATOM 420 CZ ARG A 30 8.094 -1.032 12.073 1.00 2.08 C ATOM 421 NH1 ARG A 30 8.146 0.283 12.243 1.00 1.93 N ATOM 422 NH2 ARG A 30 9.218 -1.735 12.047 1.00 3.00 N ATOM 0 H ARG A 30 2.151 -2.374 10.101 1.00 0.54 H new ATOM 0 HA ARG A 30 1.974 -2.961 12.957 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.996 -0.547 11.353 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.077 -0.659 13.100 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.623 -2.571 12.958 1.00 0.68 H new ATOM 0 HG3 ARG A 30 4.461 -2.619 11.213 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.520 -0.387 11.020 1.00 0.87 H new ATOM 0 HD3 ARG A 30 5.604 -0.248 12.765 1.00 0.87 H new ATOM 0 HE ARG A 30 6.925 -2.660 11.811 1.00 1.70 H new ATOM 0 HH11 ARG A 30 7.285 0.829 12.266 1.00 1.93 H new ATOM 0 HH12 ARG A 30 9.047 0.748 12.351 1.00 1.93 H new ATOM 0 HH21 ARG A 30 9.184 -2.746 11.919 1.00 3.00 H new ATOM 0 HH22 ARG A 30 10.116 -1.264 12.155 1.00 3.00 H new ATOM 436 N LYS A 31 -0.251 -2.000 13.371 1.00 0.57 N ATOM 437 CA LYS A 31 -1.565 -1.479 13.901 1.00 0.59 C ATOM 438 C LYS A 31 -1.666 0.055 14.236 1.00 0.64 C ATOM 439 O LYS A 31 -1.035 0.534 15.184 1.00 0.79 O ATOM 440 CB LYS A 31 -1.875 -2.349 15.167 1.00 0.73 C ATOM 441 CG LYS A 31 -2.736 -1.691 16.279 1.00 1.15 C ATOM 442 CD LYS A 31 -3.052 -2.648 17.466 1.00 1.44 C ATOM 443 CE LYS A 31 -1.859 -2.853 18.421 1.00 1.70 C ATOM 444 NZ LYS A 31 -2.251 -3.643 19.621 1.00 2.30 N ATOM 0 H LYS A 31 -0.034 -2.919 13.756 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.295 -1.569 13.097 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.381 -3.257 14.839 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -0.927 -2.655 15.609 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.215 -0.813 16.659 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -3.673 -1.342 15.844 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -3.895 -2.249 18.030 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -3.362 -3.615 17.071 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -1.054 -3.365 17.894 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.470 -1.884 18.733 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -1.426 -3.763 20.243 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -3.003 -3.142 20.136 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -2.599 -4.577 19.323 1.00 2.30 H new ATOM 458 N ASP A 32 -2.480 0.791 13.403 1.00 0.61 N ATOM 459 CA ASP A 32 -2.797 2.277 13.537 1.00 0.72 C ATOM 460 C ASP A 32 -1.588 3.246 13.803 1.00 0.75 C ATOM 461 O ASP A 32 -1.396 3.686 14.941 1.00 1.00 O ATOM 462 CB ASP A 32 -3.848 2.473 14.647 1.00 0.86 C ATOM 463 CG ASP A 32 -5.280 2.444 14.137 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.681 1.413 13.555 1.00 1.01 O ATOM 465 OD2 ASP A 32 -5.996 3.451 14.319 1.00 1.17 O ATOM 0 H ASP A 32 -2.947 0.367 12.601 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.160 2.561 12.549 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -3.722 1.693 15.398 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -3.667 3.426 15.144 1.00 0.86 H new ATOM 470 N PRO A 33 -0.748 3.573 12.776 1.00 0.59 N ATOM 471 CA PRO A 33 0.415 4.480 12.958 1.00 0.66 C ATOM 472 C PRO A 33 0.213 5.990 12.622 1.00 0.83 C ATOM 473 O PRO A 33 1.076 6.799 12.977 1.00 1.45 O ATOM 474 CB PRO A 33 1.445 3.856 12.011 1.00 0.59 C ATOM 475 CG PRO A 33 0.629 3.307 10.863 1.00 0.57 C ATOM 476 CD PRO A 33 -0.780 3.008 11.407 1.00 0.49 C ATOM 0 HA PRO A 33 0.680 4.535 14.014 1.00 0.66 H new ATOM 0 HB2 PRO A 33 2.165 4.598 11.666 1.00 0.59 H new ATOM 0 HB3 PRO A 33 2.012 3.068 12.506 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.581 4.027 10.046 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.087 2.402 10.464 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.553 3.476 10.798 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.987 1.938 11.419 1.00 0.49 H new ATOM 484 N LEU A 34 -0.899 6.376 11.956 1.00 0.72 N ATOM 485 CA LEU A 34 -1.117 7.811 11.610 1.00 0.91 C ATOM 486 C LEU A 34 -2.547 8.369 11.891 1.00 1.43 C ATOM 487 O LEU A 34 -2.686 9.583 12.066 1.00 1.91 O ATOM 488 CB LEU A 34 -0.619 8.165 10.139 1.00 1.02 C ATOM 489 CG LEU A 34 -1.390 7.683 8.830 1.00 0.88 C ATOM 490 CD1 LEU A 34 -2.050 6.309 8.897 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.402 8.721 8.361 1.00 1.33 C ATOM 0 H LEU A 34 -1.640 5.744 11.653 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.482 8.341 12.320 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -0.562 9.252 10.083 1.00 1.02 H new ATOM 0 HB3 LEU A 34 0.400 7.787 10.056 1.00 1.02 H new ATOM 0 HG LEU A 34 -0.588 7.574 8.100 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -2.541 6.095 7.948 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -1.292 5.550 9.093 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -2.789 6.299 9.698 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -2.908 8.358 7.467 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -3.136 8.895 9.148 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -1.887 9.654 8.133 1.00 1.33 H new ATOM 503 N GLU A 35 -3.606 7.512 11.937 1.00 1.77 N ATOM 504 CA GLU A 35 -4.993 7.993 12.194 1.00 2.54 C ATOM 505 C GLU A 35 -5.430 7.788 13.666 1.00 2.66 C ATOM 506 O GLU A 35 -6.281 6.944 13.971 1.00 3.33 O ATOM 507 CB GLU A 35 -5.997 7.289 11.250 1.00 3.34 C ATOM 508 CG GLU A 35 -5.858 7.640 9.757 1.00 3.49 C ATOM 509 CD GLU A 35 -6.293 9.062 9.426 1.00 4.38 C ATOM 510 OE1 GLU A 35 -5.488 9.994 9.636 1.00 4.80 O ATOM 511 OE2 GLU A 35 -7.440 9.242 8.965 1.00 4.84 O ATOM 0 H GLU A 35 -3.528 6.504 11.802 1.00 1.77 H new ATOM 0 HA GLU A 35 -4.993 9.065 11.996 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -5.883 6.211 11.364 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -7.008 7.538 11.572 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -4.819 7.506 9.455 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -6.453 6.940 9.170 1.00 3.49 H new ATOM 518 N GLY A 36 -4.818 8.579 14.574 1.00 2.22 N ATOM 519 CA GLY A 36 -5.123 8.495 16.010 1.00 2.37 C ATOM 520 C GLY A 36 -4.035 7.812 16.863 1.00 1.99 C ATOM 521 O GLY A 36 -3.891 8.140 18.043 1.00 2.30 O ATOM 0 H GLY A 36 -4.114 9.278 14.335 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -5.285 9.503 16.392 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -6.059 7.951 16.137 1.00 2.37 H new ATOM 525 N ARG A 37 -3.266 6.850 16.239 1.00 1.73 N ATOM 526 CA ARG A 37 -2.153 6.023 16.855 1.00 2.21 C ATOM 527 C ARG A 37 -2.531 5.264 18.175 1.00 2.05 C ATOM 528 O ARG A 37 -1.858 5.379 19.204 1.00 2.64 O ATOM 529 CB ARG A 37 -0.794 6.802 16.994 1.00 3.16 C ATOM 530 CG ARG A 37 -0.872 8.275 17.486 1.00 3.40 C ATOM 531 CD ARG A 37 -0.897 9.293 16.328 1.00 3.20 C ATOM 532 NE ARG A 37 -1.187 10.644 16.801 1.00 3.69 N ATOM 533 CZ ARG A 37 -1.434 11.675 15.995 1.00 3.94 C ATOM 534 NH1 ARG A 37 -1.428 11.511 14.678 1.00 3.94 N ATOM 535 NH2 ARG A 37 -1.689 12.872 16.506 1.00 4.50 N ATOM 0 H ARG A 37 -3.408 6.619 15.256 1.00 1.73 H new ATOM 0 HA ARG A 37 -1.997 5.237 16.116 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -0.155 6.248 17.682 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -0.299 6.795 16.023 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -1.767 8.403 18.095 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -0.017 8.484 18.129 1.00 3.40 H new ATOM 0 HD2 ARG A 37 0.065 9.286 15.816 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -1.649 8.994 15.597 1.00 3.20 H new ATOM 0 HE ARG A 37 -1.201 10.807 17.808 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -1.234 10.592 14.279 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -1.618 12.303 14.065 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -1.696 13.004 17.517 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -1.878 13.661 15.888 1.00 4.50 H new ATOM 549 N VAL A 38 -3.634 4.491 18.083 1.00 1.67 N ATOM 550 CA VAL A 38 -4.198 3.669 19.203 1.00 1.61 C ATOM 551 C VAL A 38 -4.744 2.307 18.660 1.00 1.73 C ATOM 552 O VAL A 38 -4.678 2.032 17.459 1.00 2.44 O ATOM 553 CB VAL A 38 -5.328 4.388 20.107 1.00 2.08 C ATOM 554 CG1 VAL A 38 -4.707 5.070 21.344 1.00 2.70 C ATOM 555 CG2 VAL A 38 -6.237 5.423 19.369 1.00 2.63 C ATOM 0 H VAL A 38 -4.174 4.411 17.221 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.353 3.515 19.875 1.00 1.61 H new ATOM 0 HB VAL A 38 -5.979 3.563 20.395 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -5.493 5.544 21.931 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -4.199 4.323 21.954 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -3.990 5.825 21.022 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -6.957 5.841 20.072 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -5.620 6.224 18.962 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -6.769 4.926 18.557 1.00 2.63 H new ATOM 565 N GLY A 39 -5.284 1.449 19.555 1.00 1.64 N ATOM 566 CA GLY A 39 -5.819 0.136 19.136 1.00 1.95 C ATOM 567 C GLY A 39 -7.318 0.131 18.794 1.00 1.52 C ATOM 568 O GLY A 39 -8.164 -0.020 19.679 1.00 1.67 O ATOM 0 H GLY A 39 -5.360 1.638 20.554 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -5.261 -0.207 18.265 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -5.640 -0.585 19.934 1.00 1.95 H new ATOM 572 N ARG A 40 -7.623 0.298 17.487 1.00 1.49 N ATOM 573 CA ARG A 40 -9.012 0.327 16.989 1.00 1.54 C ATOM 574 C ARG A 40 -9.107 -0.126 15.512 1.00 1.40 C ATOM 575 O ARG A 40 -8.359 0.344 14.646 1.00 1.40 O ATOM 576 CB ARG A 40 -9.600 1.750 17.135 1.00 2.19 C ATOM 577 CG ARG A 40 -11.138 1.806 17.295 1.00 2.54 C ATOM 578 CD ARG A 40 -11.671 3.246 17.381 1.00 3.29 C ATOM 579 NE ARG A 40 -13.113 3.275 17.608 1.00 3.83 N ATOM 580 CZ ARG A 40 -13.800 4.387 17.859 1.00 4.62 C ATOM 581 NH1 ARG A 40 -13.181 5.559 17.908 1.00 4.94 N ATOM 582 NH2 ARG A 40 -15.110 4.327 18.060 1.00 5.34 N ATOM 0 H ARG A 40 -6.920 0.415 16.757 1.00 1.49 H new ATOM 0 HA ARG A 40 -9.589 -0.374 17.592 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -9.142 2.230 18.000 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -9.319 2.335 16.259 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -11.606 1.299 16.451 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -11.426 1.261 18.194 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -11.165 3.774 18.189 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -11.437 3.776 16.458 1.00 3.29 H new ATOM 0 HE ARG A 40 -13.623 2.392 17.572 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -12.174 5.611 17.753 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -13.712 6.408 18.101 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -15.591 3.428 18.022 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -15.636 5.179 18.252 1.00 5.34 H new ATOM 596 N ALA A 41 -10.067 -1.048 15.247 1.00 1.35 N ATOM 597 CA ALA A 41 -10.337 -1.612 13.891 1.00 1.29 C ATOM 598 C ALA A 41 -11.723 -1.153 13.353 1.00 1.31 C ATOM 599 O ALA A 41 -12.728 -1.116 14.086 1.00 1.64 O ATOM 600 CB ALA A 41 -10.257 -3.162 13.935 1.00 1.35 C ATOM 0 H ALA A 41 -10.681 -1.426 15.969 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.576 -1.235 13.208 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.455 -3.565 12.942 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.261 -3.466 14.258 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.998 -3.545 14.636 1.00 1.35 H new ATOM 606 N SER A 42 -11.754 -0.783 12.057 1.00 1.13 N ATOM 607 CA SER A 42 -12.984 -0.326 11.391 1.00 1.15 C ATOM 608 C SER A 42 -13.289 -1.154 10.133 1.00 1.10 C ATOM 609 O SER A 42 -12.474 -1.240 9.213 1.00 1.57 O ATOM 610 CB SER A 42 -12.874 1.161 11.020 1.00 1.23 C ATOM 611 OG SER A 42 -13.140 1.996 12.137 1.00 1.43 O ATOM 0 H SER A 42 -10.934 -0.793 11.450 1.00 1.13 H new ATOM 0 HA SER A 42 -13.805 -0.463 12.095 1.00 1.15 H new ATOM 0 HB2 SER A 42 -11.874 1.369 10.638 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.575 1.390 10.218 1.00 1.23 H new ATOM 0 HG SER A 42 -13.061 2.935 11.869 1.00 1.43 H new ATOM 617 N ASP A 43 -14.476 -1.778 10.118 1.00 0.99 N ATOM 618 CA ASP A 43 -14.924 -2.608 8.984 1.00 0.98 C ATOM 619 C ASP A 43 -16.423 -2.381 8.706 1.00 1.13 C ATOM 620 O ASP A 43 -17.288 -2.874 9.439 1.00 1.62 O ATOM 621 CB ASP A 43 -14.647 -4.100 9.254 1.00 1.01 C ATOM 622 CG ASP A 43 -13.388 -4.605 8.566 1.00 1.65 C ATOM 623 OD1 ASP A 43 -13.316 -4.521 7.321 1.00 2.33 O ATOM 624 OD2 ASP A 43 -12.474 -5.076 9.275 1.00 1.80 O ATOM 0 H ASP A 43 -15.149 -1.724 10.883 1.00 0.99 H new ATOM 0 HA ASP A 43 -14.359 -2.310 8.101 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.555 -4.258 10.329 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -15.500 -4.689 8.917 1.00 1.01 H new ATOM 629 N TYR A 44 -16.714 -1.620 7.628 1.00 1.26 N ATOM 630 CA TYR A 44 -18.106 -1.303 7.207 1.00 1.48 C ATOM 631 C TYR A 44 -18.596 -2.244 6.074 1.00 1.68 C ATOM 632 O TYR A 44 -19.717 -2.756 6.132 1.00 2.40 O ATOM 633 CB TYR A 44 -18.200 0.167 6.757 1.00 1.58 C ATOM 634 CG TYR A 44 -19.577 0.813 6.988 1.00 1.67 C ATOM 635 CD1 TYR A 44 -19.900 1.403 8.215 1.00 2.02 C ATOM 636 CD2 TYR A 44 -20.555 0.824 5.984 1.00 1.93 C ATOM 637 CE1 TYR A 44 -21.142 1.980 8.427 1.00 2.50 C ATOM 638 CE2 TYR A 44 -21.796 1.402 6.201 1.00 2.32 C ATOM 639 CZ TYR A 44 -22.081 1.976 7.421 1.00 2.56 C ATOM 640 OH TYR A 44 -23.314 2.547 7.634 1.00 3.16 O ATOM 0 H TYR A 44 -16.000 -1.209 7.026 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.756 -1.460 8.068 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -17.446 0.747 7.289 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -17.957 0.226 5.696 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.169 1.409 9.010 1.00 2.02 H new ATOM 0 HD2 TYR A 44 -20.338 0.375 5.026 1.00 1.93 H new ATOM 0 HE1 TYR A 44 -21.373 2.432 9.380 1.00 2.50 H new ATOM 0 HE2 TYR A 44 -22.538 1.403 5.416 1.00 2.32 H new ATOM 0 HH TYR A 44 -23.859 2.461 6.824 1.00 3.16 H new ATOM 650 N GLY A 45 -17.737 -2.454 5.049 1.00 1.41 N ATOM 651 CA GLY A 45 -18.046 -3.366 3.943 1.00 1.52 C ATOM 652 C GLY A 45 -17.186 -4.630 4.016 1.00 1.29 C ATOM 653 O GLY A 45 -16.258 -4.810 3.223 1.00 1.22 O ATOM 0 H GLY A 45 -16.827 -2.000 4.973 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -19.101 -3.638 3.975 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.876 -2.861 2.992 1.00 1.52 H new ATOM 657 N MET A 46 -17.520 -5.504 4.994 1.00 1.26 N ATOM 658 CA MET A 46 -16.781 -6.762 5.262 1.00 1.14 C ATOM 659 C MET A 46 -17.329 -8.030 4.536 1.00 1.13 C ATOM 660 O MET A 46 -16.766 -9.117 4.700 1.00 1.13 O ATOM 661 CB MET A 46 -16.766 -7.009 6.784 1.00 1.28 C ATOM 662 CG MET A 46 -15.423 -7.491 7.349 1.00 1.04 C ATOM 663 SD MET A 46 -15.539 -8.019 9.071 1.00 1.58 S ATOM 664 CE MET A 46 -13.873 -8.613 9.370 1.00 1.67 C ATOM 0 H MET A 46 -18.311 -5.357 5.621 1.00 1.26 H new ATOM 0 HA MET A 46 -15.781 -6.613 4.856 1.00 1.14 H new ATOM 0 HB2 MET A 46 -17.045 -6.085 7.290 1.00 1.28 H new ATOM 0 HB3 MET A 46 -17.531 -7.748 7.025 1.00 1.28 H new ATOM 0 HG2 MET A 46 -15.055 -8.319 6.744 1.00 1.04 H new ATOM 0 HG3 MET A 46 -14.691 -6.688 7.268 1.00 1.04 H new ATOM 0 HE1 MET A 46 -13.793 -8.972 10.396 1.00 1.67 H new ATOM 0 HE2 MET A 46 -13.648 -9.428 8.682 1.00 1.67 H new ATOM 0 HE3 MET A 46 -13.163 -7.800 9.214 1.00 1.67 H new ATOM 674 N LYS A 47 -18.410 -7.889 3.735 1.00 1.20 N ATOM 675 CA LYS A 47 -19.000 -9.026 2.991 1.00 1.24 C ATOM 676 C LYS A 47 -18.752 -8.940 1.450 1.00 1.33 C ATOM 677 O LYS A 47 -19.588 -9.359 0.642 1.00 1.68 O ATOM 678 CB LYS A 47 -20.512 -9.160 3.340 1.00 1.34 C ATOM 679 CG LYS A 47 -21.354 -7.855 3.208 1.00 2.03 C ATOM 680 CD LYS A 47 -21.845 -7.588 1.766 1.00 2.90 C ATOM 681 CE LYS A 47 -22.562 -6.232 1.636 1.00 3.65 C ATOM 682 NZ LYS A 47 -23.733 -6.136 2.550 1.00 4.18 N ATOM 0 H LYS A 47 -18.891 -7.001 3.587 1.00 1.20 H new ATOM 0 HA LYS A 47 -18.490 -9.934 3.311 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -20.950 -9.920 2.693 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -20.599 -9.525 4.363 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -22.216 -7.918 3.872 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -20.755 -7.008 3.543 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -20.995 -7.614 1.084 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -22.523 -8.386 1.461 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -21.861 -5.427 1.858 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -22.892 -6.093 0.607 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -24.249 -5.253 2.362 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -24.365 -6.947 2.391 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.405 -6.142 3.537 1.00 4.18 H new ATOM 696 N LEU A 48 -17.564 -8.416 1.081 1.00 1.18 N ATOM 697 CA LEU A 48 -17.126 -8.270 -0.307 1.00 1.29 C ATOM 698 C LEU A 48 -15.652 -8.692 -0.398 1.00 1.00 C ATOM 699 O LEU A 48 -14.762 -7.833 -0.450 1.00 1.21 O ATOM 700 CB LEU A 48 -17.287 -6.808 -0.767 1.00 1.76 C ATOM 701 CG LEU A 48 -17.511 -6.573 -2.297 1.00 1.96 C ATOM 702 CD1 LEU A 48 -18.898 -7.016 -2.776 1.00 2.24 C ATOM 703 CD2 LEU A 48 -17.287 -5.109 -2.671 1.00 2.63 C ATOM 0 H LEU A 48 -16.878 -8.080 1.756 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.735 -8.900 -0.955 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -18.129 -6.373 -0.229 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.397 -6.256 -0.465 1.00 1.76 H new ATOM 0 HG LEU A 48 -16.773 -7.196 -2.802 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -18.991 -6.827 -3.845 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -19.026 -8.081 -2.583 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -19.664 -6.455 -2.240 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -17.450 -4.978 -3.741 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -17.985 -4.481 -2.118 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -16.265 -4.822 -2.422 1.00 2.63 H new ATOM 715 N PRO A 49 -15.357 -10.041 -0.392 1.00 0.82 N ATOM 716 CA PRO A 49 -13.960 -10.593 -0.444 1.00 0.89 C ATOM 717 C PRO A 49 -13.128 -10.295 -1.716 1.00 0.75 C ATOM 718 O PRO A 49 -13.674 -10.061 -2.797 1.00 0.78 O ATOM 719 CB PRO A 49 -14.177 -12.118 -0.355 1.00 1.31 C ATOM 720 CG PRO A 49 -15.512 -12.274 0.302 1.00 1.37 C ATOM 721 CD PRO A 49 -16.348 -11.146 -0.257 1.00 1.05 C ATOM 0 HA PRO A 49 -13.379 -10.126 0.351 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -14.166 -12.578 -1.343 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -13.390 -12.597 0.228 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -15.954 -13.244 0.076 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -15.430 -12.206 1.387 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.794 -11.409 -1.216 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -17.166 -10.878 0.412 1.00 1.05 H new ATOM 729 N ILE A 50 -11.783 -10.321 -1.540 1.00 0.67 N ATOM 730 CA ILE A 50 -10.808 -10.094 -2.621 1.00 0.60 C ATOM 731 C ILE A 50 -10.459 -11.474 -3.307 1.00 0.64 C ATOM 732 O ILE A 50 -10.059 -12.443 -2.649 1.00 0.69 O ATOM 733 CB ILE A 50 -9.566 -9.161 -2.061 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.712 -7.694 -2.567 1.00 0.54 C ATOM 735 CG2 ILE A 50 -8.124 -9.606 -2.425 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.884 -6.904 -2.010 1.00 0.59 C ATOM 0 H ILE A 50 -11.348 -10.502 -0.635 1.00 0.67 H new ATOM 0 HA ILE A 50 -11.208 -9.499 -3.442 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.666 -9.269 -0.981 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.794 -7.157 -2.330 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.798 -7.714 -3.653 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.408 -8.906 -1.995 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.940 -10.604 -2.027 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -8.010 -9.621 -3.509 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.881 -5.900 -2.435 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.817 -7.405 -2.270 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.797 -6.840 -0.925 1.00 0.59 H new ATOM 748 N LEU A 51 -10.630 -11.498 -4.644 1.00 0.65 N ATOM 749 CA LEU A 51 -10.435 -12.706 -5.496 1.00 0.71 C ATOM 750 C LEU A 51 -8.969 -13.042 -5.899 1.00 0.78 C ATOM 751 O LEU A 51 -8.695 -14.184 -6.282 1.00 1.26 O ATOM 752 CB LEU A 51 -11.256 -12.522 -6.782 1.00 0.74 C ATOM 753 CG LEU A 51 -12.546 -13.373 -6.952 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.530 -12.673 -7.889 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.229 -14.769 -7.493 1.00 1.28 C ATOM 0 H LEU A 51 -10.910 -10.674 -5.176 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.760 -13.545 -4.880 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.538 -11.471 -6.851 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.603 -12.733 -7.628 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.998 -13.480 -5.966 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.427 -13.283 -7.996 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.799 -11.702 -7.474 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.066 -12.534 -8.866 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.153 -15.337 -7.599 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.743 -14.681 -8.465 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.564 -15.285 -6.801 1.00 1.28 H new ATOM 767 N ARG A 52 -8.037 -12.067 -5.811 1.00 0.58 N ATOM 768 CA ARG A 52 -6.615 -12.304 -6.165 1.00 0.58 C ATOM 769 C ARG A 52 -5.685 -12.562 -4.928 1.00 0.57 C ATOM 770 O ARG A 52 -4.471 -12.339 -5.001 1.00 0.65 O ATOM 771 CB ARG A 52 -6.078 -11.110 -6.991 1.00 0.57 C ATOM 772 CG ARG A 52 -5.672 -11.427 -8.455 1.00 0.70 C ATOM 773 CD ARG A 52 -6.878 -11.667 -9.382 1.00 0.64 C ATOM 774 NE ARG A 52 -6.453 -12.027 -10.733 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.271 -12.079 -11.780 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.557 -11.787 -11.641 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.801 -12.424 -12.970 1.00 1.51 N ATOM 0 H ARG A 52 -8.239 -11.116 -5.501 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.593 -13.220 -6.755 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.841 -10.331 -7.006 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.211 -10.697 -6.475 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.079 -10.601 -8.848 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.033 -12.310 -8.465 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.501 -12.462 -8.972 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.493 -10.768 -9.421 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.469 -12.252 -10.882 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.924 -11.521 -10.727 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.180 -11.829 -12.448 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.813 -12.649 -13.082 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.428 -12.464 -13.774 1.00 1.51 H new ATOM 791 N SER A 53 -6.271 -13.046 -3.806 1.00 0.53 N ATOM 792 CA SER A 53 -5.525 -13.361 -2.576 1.00 0.54 C ATOM 793 C SER A 53 -6.129 -14.600 -1.834 1.00 0.57 C ATOM 794 O SER A 53 -7.054 -15.260 -2.326 1.00 0.67 O ATOM 795 CB SER A 53 -5.517 -12.122 -1.642 1.00 0.53 C ATOM 796 OG SER A 53 -4.335 -12.079 -0.857 1.00 1.09 O ATOM 0 H SER A 53 -7.272 -13.227 -3.734 1.00 0.53 H new ATOM 0 HA SER A 53 -4.502 -13.616 -2.853 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.594 -11.213 -2.239 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.390 -12.150 -0.989 1.00 0.53 H new ATOM 0 HG SER A 53 -3.568 -11.873 -1.431 1.00 1.09 H new ATOM 802 N ASN A 54 -5.573 -14.906 -0.633 1.00 0.59 N ATOM 803 CA ASN A 54 -6.045 -16.035 0.253 1.00 0.64 C ATOM 804 C ASN A 54 -7.047 -15.468 1.323 1.00 0.63 C ATOM 805 O ASN A 54 -7.379 -14.294 1.242 1.00 0.66 O ATOM 806 CB ASN A 54 -4.874 -16.782 1.023 1.00 0.80 C ATOM 807 CG ASN A 54 -3.416 -16.466 0.648 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.043 -16.405 -0.524 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.595 -16.279 1.678 1.00 1.12 N ATOM 0 H ASN A 54 -4.787 -14.387 -0.241 1.00 0.59 H new ATOM 0 HA ASN A 54 -6.516 -16.763 -0.408 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -4.993 -16.573 2.086 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -5.023 -17.853 0.890 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -1.609 -16.075 1.514 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.951 -16.340 2.632 1.00 1.12 H new ATOM 816 N PRO A 55 -7.605 -16.264 2.326 1.00 0.71 N ATOM 817 CA PRO A 55 -8.512 -15.699 3.406 1.00 0.75 C ATOM 818 C PRO A 55 -7.776 -14.766 4.420 1.00 0.74 C ATOM 819 O PRO A 55 -8.269 -13.677 4.776 1.00 0.80 O ATOM 820 CB PRO A 55 -9.035 -16.960 4.132 1.00 0.89 C ATOM 821 CG PRO A 55 -8.833 -18.072 3.141 1.00 0.95 C ATOM 822 CD PRO A 55 -7.530 -17.742 2.442 1.00 0.83 C ATOM 0 HA PRO A 55 -9.289 -15.070 2.972 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.484 -17.145 5.054 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -10.085 -16.855 4.403 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -8.779 -19.040 3.639 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -9.659 -18.124 2.432 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -6.664 -18.062 3.022 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.457 -18.224 1.467 1.00 0.83 H new ATOM 830 N GLU A 56 -6.535 -15.190 4.784 1.00 0.71 N ATOM 831 CA GLU A 56 -5.607 -14.462 5.716 1.00 0.73 C ATOM 832 C GLU A 56 -5.057 -13.131 5.098 1.00 0.65 C ATOM 833 O GLU A 56 -5.178 -12.021 5.676 1.00 0.67 O ATOM 834 CB GLU A 56 -4.426 -15.411 6.105 1.00 0.80 C ATOM 835 CG GLU A 56 -3.775 -16.182 4.947 1.00 0.97 C ATOM 836 CD GLU A 56 -2.610 -17.034 5.414 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.537 -16.464 5.703 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.771 -18.271 5.492 1.00 2.04 O ATOM 0 H GLU A 56 -6.137 -16.062 4.436 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.174 -14.182 6.604 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.656 -14.818 6.599 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.791 -16.132 6.836 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.521 -16.818 4.471 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.428 -15.477 4.192 1.00 0.97 H new ATOM 845 N ASP A 57 -4.555 -13.248 3.848 1.00 0.62 N ATOM 846 CA ASP A 57 -4.034 -12.105 3.072 1.00 0.58 C ATOM 847 C ASP A 57 -5.175 -11.272 2.386 1.00 0.52 C ATOM 848 O ASP A 57 -4.924 -10.202 1.835 1.00 0.53 O ATOM 849 CB ASP A 57 -3.028 -12.610 2.056 1.00 0.60 C ATOM 850 CG ASP A 57 -1.591 -12.346 2.454 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.008 -13.183 3.175 1.00 1.62 O ATOM 852 OD2 ASP A 57 -1.052 -11.297 2.041 1.00 1.62 O ATOM 0 H ASP A 57 -4.501 -14.137 3.351 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.540 -11.421 3.762 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -3.168 -13.682 1.918 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.224 -12.136 1.094 1.00 0.60 H new ATOM 857 N GLN A 58 -6.452 -11.789 2.480 1.00 0.52 N ATOM 858 CA GLN A 58 -7.695 -11.102 2.025 1.00 0.51 C ATOM 859 C GLN A 58 -8.011 -9.972 3.026 1.00 0.50 C ATOM 860 O GLN A 58 -8.341 -8.877 2.633 1.00 0.49 O ATOM 861 CB GLN A 58 -8.871 -12.093 1.979 1.00 0.60 C ATOM 862 CG GLN A 58 -10.159 -11.573 1.343 1.00 0.84 C ATOM 863 CD GLN A 58 -11.302 -12.549 1.524 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.504 -13.443 0.704 1.00 1.16 O ATOM 865 NE2 GLN A 58 -12.056 -12.386 2.607 1.00 1.77 N ATOM 0 H GLN A 58 -6.636 -12.708 2.882 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.548 -10.699 1.023 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -8.552 -12.980 1.432 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -9.094 -12.409 2.998 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -10.424 -10.614 1.788 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.995 -11.396 0.280 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.852 -11.630 3.261 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.838 -13.017 2.784 1.00 1.77 H new ATOM 874 N VAL A 59 -7.813 -10.275 4.351 1.00 0.52 N ATOM 875 CA VAL A 59 -7.927 -9.271 5.487 1.00 0.54 C ATOM 876 C VAL A 59 -6.857 -8.132 5.278 1.00 0.52 C ATOM 877 O VAL A 59 -7.177 -6.956 5.403 1.00 0.55 O ATOM 878 CB VAL A 59 -7.724 -9.931 6.948 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.970 -8.954 8.129 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.635 -11.128 7.192 1.00 0.81 C ATOM 0 H VAL A 59 -7.571 -11.214 4.669 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.941 -8.872 5.459 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.676 -10.231 6.928 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.813 -9.477 9.072 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -7.277 -8.116 8.058 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.994 -8.582 8.086 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.452 -11.527 8.190 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.676 -10.815 7.112 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.430 -11.899 6.449 1.00 0.81 H new ATOM 890 N LEU A 60 -5.602 -8.522 4.926 1.00 0.49 N ATOM 891 CA LEU A 60 -4.518 -7.532 4.639 1.00 0.48 C ATOM 892 C LEU A 60 -4.630 -6.817 3.237 1.00 0.49 C ATOM 893 O LEU A 60 -3.900 -5.881 2.965 1.00 0.65 O ATOM 894 CB LEU A 60 -3.163 -8.240 4.759 1.00 0.52 C ATOM 895 CG LEU A 60 -1.889 -7.355 4.623 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.461 -6.772 5.961 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.700 -8.088 4.015 1.00 0.90 C ATOM 0 H LEU A 60 -5.315 -9.497 4.834 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.623 -6.735 5.375 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -3.126 -8.740 5.727 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -3.118 -9.018 3.997 1.00 0.52 H new ATOM 0 HG LEU A 60 -2.181 -6.556 3.942 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.569 -6.161 5.823 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -2.265 -6.155 6.363 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -1.242 -7.582 6.657 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.151 -7.410 3.951 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.439 -8.940 4.642 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.961 -8.439 3.016 1.00 0.90 H new ATOM 909 N TYR A 61 -5.499 -7.315 2.360 1.00 0.44 N ATOM 910 CA TYR A 61 -5.760 -6.714 1.028 1.00 0.45 C ATOM 911 C TYR A 61 -7.282 -6.379 0.805 1.00 0.47 C ATOM 912 O TYR A 61 -7.730 -6.253 -0.339 1.00 0.52 O ATOM 913 CB TYR A 61 -5.231 -7.631 -0.101 1.00 0.44 C ATOM 914 CG TYR A 61 -3.712 -7.992 -0.084 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.765 -7.076 0.383 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.220 -9.226 -0.521 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.410 -7.370 0.409 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.864 -9.522 -0.495 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.993 -8.691 -0.075 1.00 0.72 C ATOM 920 OH TYR A 61 0.375 -8.884 -0.008 1.00 0.88 O ATOM 0 H TYR A 61 -6.052 -8.152 2.543 1.00 0.44 H new ATOM 0 HA TYR A 61 -5.219 -5.768 0.996 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.798 -8.561 -0.072 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.452 -7.152 -1.055 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -3.099 -6.111 0.734 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.913 -9.968 -0.888 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.688 -6.653 0.772 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.535 -10.490 -0.843 1.00 0.92 H new ATOM 0 HH TYR A 61 0.596 -9.779 -0.341 1.00 0.88 H new ATOM 930 N GLN A 62 -8.056 -6.222 1.916 1.00 0.50 N ATOM 931 CA GLN A 62 -9.549 -5.946 1.852 1.00 0.57 C ATOM 932 C GLN A 62 -10.107 -4.992 2.941 1.00 0.70 C ATOM 933 O GLN A 62 -11.126 -4.341 2.706 1.00 1.33 O ATOM 934 CB GLN A 62 -10.354 -7.277 1.945 1.00 0.57 C ATOM 935 CG GLN A 62 -11.831 -7.249 1.446 1.00 0.75 C ATOM 936 CD GLN A 62 -12.867 -7.286 2.565 1.00 0.77 C ATOM 937 OE1 GLN A 62 -13.358 -6.247 3.004 1.00 1.26 O ATOM 938 NE2 GLN A 62 -13.196 -8.479 3.039 1.00 1.02 N ATOM 0 H GLN A 62 -7.689 -6.279 2.866 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.676 -5.444 0.893 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.819 -8.037 1.376 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -10.354 -7.600 2.986 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.986 -6.348 0.852 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.996 -8.099 0.784 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.767 -9.319 2.649 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.878 -8.558 3.793 1.00 1.02 H new ATOM 947 N THR A 63 -9.469 -4.921 4.124 1.00 0.58 N ATOM 948 CA THR A 63 -9.949 -4.046 5.281 1.00 0.62 C ATOM 949 C THR A 63 -9.657 -2.511 5.075 1.00 0.76 C ATOM 950 O THR A 63 -8.529 -2.128 4.768 1.00 1.28 O ATOM 951 CB THR A 63 -9.387 -4.525 6.683 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.954 -4.639 6.678 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.999 -5.867 7.138 1.00 0.60 C ATOM 0 H THR A 63 -8.620 -5.446 4.332 1.00 0.58 H new ATOM 0 HA THR A 63 -11.032 -4.172 5.285 1.00 0.62 H new ATOM 0 HB THR A 63 -9.681 -3.752 7.393 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.690 -5.424 6.155 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.580 -6.149 8.104 1.00 0.60 H new ATOM 0 HG22 THR A 63 -11.080 -5.762 7.228 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.770 -6.639 6.403 1.00 0.60 H new ATOM 961 N GLU A 64 -10.698 -1.657 5.284 1.00 0.57 N ATOM 962 CA GLU A 64 -10.606 -0.173 5.058 1.00 0.60 C ATOM 963 C GLU A 64 -10.798 0.700 6.318 1.00 0.64 C ATOM 964 O GLU A 64 -11.672 0.447 7.148 1.00 0.69 O ATOM 965 CB GLU A 64 -11.677 0.298 4.022 1.00 0.67 C ATOM 966 CG GLU A 64 -12.854 -0.672 3.770 1.00 0.84 C ATOM 967 CD GLU A 64 -14.039 -0.417 4.688 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.060 -0.980 5.801 1.00 1.50 O ATOM 969 OE2 GLU A 64 -14.944 0.347 4.292 1.00 1.53 O ATOM 0 H GLU A 64 -11.614 -1.965 5.609 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.585 -0.032 4.703 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -12.084 1.251 4.359 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -11.176 0.484 3.072 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -13.178 -0.580 2.733 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.509 -1.697 3.907 1.00 0.84 H new ATOM 976 N ARG A 65 -9.971 1.766 6.409 1.00 0.74 N ATOM 977 CA ARG A 65 -10.024 2.743 7.520 1.00 0.91 C ATOM 978 C ARG A 65 -10.379 4.163 7.011 1.00 1.19 C ATOM 979 O ARG A 65 -9.741 4.685 6.088 1.00 2.12 O ATOM 980 CB ARG A 65 -8.669 2.805 8.268 1.00 0.98 C ATOM 981 CG ARG A 65 -8.709 2.328 9.744 1.00 0.90 C ATOM 982 CD ARG A 65 -7.386 2.582 10.522 1.00 0.96 C ATOM 983 NE ARG A 65 -7.650 3.206 11.823 1.00 1.63 N ATOM 984 CZ ARG A 65 -8.075 4.462 11.989 1.00 2.39 C ATOM 985 NH1 ARG A 65 -8.314 5.230 10.935 1.00 2.86 N ATOM 986 NH2 ARG A 65 -8.268 4.942 13.210 1.00 3.22 N ATOM 0 H ARG A 65 -9.251 1.973 5.717 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.804 2.404 8.202 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.944 2.198 7.726 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -8.305 3.832 8.244 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -9.525 2.836 10.258 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.933 1.262 9.765 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.859 1.639 10.668 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -6.732 3.225 9.933 1.00 0.96 H new ATOM 0 HE ARG A 65 -7.499 2.642 12.659 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -8.174 4.863 9.994 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -8.638 6.188 11.065 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -8.092 4.352 14.023 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -8.592 5.901 13.336 1.00 3.22 H new ATOM 1000 N TYR A 66 -11.397 4.780 7.642 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.864 6.136 7.276 1.00 0.92 C ATOM 1002 C TYR A 66 -12.019 7.025 8.531 1.00 1.10 C ATOM 1003 O TYR A 66 -12.739 6.669 9.473 1.00 1.80 O ATOM 1004 CB TYR A 66 -13.205 6.027 6.499 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.809 7.357 5.999 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -13.118 8.191 5.104 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -15.071 7.780 6.429 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -13.668 9.386 4.665 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -15.618 8.976 5.987 1.00 2.90 C ATOM 1010 CZ TYR A 66 -14.897 9.765 5.078 1.00 2.96 C ATOM 1011 OH TYR A 66 -15.457 10.955 4.673 1.00 3.66 O ATOM 0 H TYR A 66 -11.916 4.359 8.413 1.00 0.77 H new ATOM 0 HA TYR A 66 -11.120 6.608 6.634 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -13.052 5.375 5.639 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -13.936 5.538 7.143 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -12.141 7.896 4.751 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -15.630 7.164 7.118 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -13.110 10.017 3.989 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -16.588 9.296 6.339 1.00 2.90 H new ATOM 0 HH TYR A 66 -16.346 11.051 5.074 1.00 3.66 H new ATOM 1021 N ASN A 67 -11.344 8.194 8.523 1.00 1.30 N ATOM 1022 CA ASN A 67 -11.388 9.129 9.666 1.00 1.97 C ATOM 1023 C ASN A 67 -11.448 10.624 9.251 1.00 1.59 C ATOM 1024 O ASN A 67 -12.425 11.303 9.580 1.00 1.69 O ATOM 1025 CB ASN A 67 -10.186 8.889 10.602 1.00 3.06 C ATOM 1026 CG ASN A 67 -10.586 8.272 11.939 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -10.619 7.051 12.088 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -10.892 9.119 12.916 1.00 4.70 N ATOM 0 H ASN A 67 -10.767 8.511 7.744 1.00 1.30 H new ATOM 0 HA ASN A 67 -12.320 8.918 10.191 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -9.471 8.234 10.105 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -9.678 9.836 10.783 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -11.167 8.764 13.832 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -10.852 10.125 12.750 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.416 11.136 8.534 1.00 1.31 N ATOM 1036 CA GLU A 68 -10.377 12.565 8.149 1.00 1.11 C ATOM 1037 C GLU A 68 -10.237 12.801 6.605 1.00 0.91 C ATOM 1038 O GLU A 68 -10.928 12.155 5.808 1.00 1.18 O ATOM 1039 CB GLU A 68 -9.245 13.263 8.953 1.00 1.42 C ATOM 1040 CG GLU A 68 -9.441 14.773 9.187 1.00 1.26 C ATOM 1041 CD GLU A 68 -8.279 15.397 9.935 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -7.260 15.723 9.288 1.00 2.55 O ATOM 1043 OE2 GLU A 68 -8.385 15.561 11.169 1.00 2.25 O ATOM 0 H GLU A 68 -9.615 10.590 8.217 1.00 1.31 H new ATOM 0 HA GLU A 68 -11.340 13.010 8.401 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -9.152 12.771 9.921 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -8.302 13.113 8.427 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -9.563 15.274 8.227 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -10.361 14.935 9.750 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.340 13.740 6.204 1.00 0.76 N ATOM 1051 CA ASP A 69 -9.116 14.141 4.797 1.00 0.75 C ATOM 1052 C ASP A 69 -7.701 14.744 4.653 1.00 0.69 C ATOM 1053 O ASP A 69 -7.360 15.704 5.360 1.00 1.33 O ATOM 1054 CB ASP A 69 -10.170 15.184 4.368 1.00 1.17 C ATOM 1055 CG ASP A 69 -11.266 14.612 3.474 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.992 14.375 2.277 1.00 2.15 O ATOM 1057 OD2 ASP A 69 -12.391 14.405 3.968 1.00 2.06 O ATOM 0 H ASP A 69 -8.746 14.245 6.862 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.206 13.263 4.157 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.627 15.614 5.259 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -9.671 15.997 3.842 1.00 1.17 H new ATOM 1062 N SER A 70 -6.873 14.178 3.714 1.00 0.72 N ATOM 1063 CA SER A 70 -5.437 14.587 3.460 1.00 0.57 C ATOM 1064 C SER A 70 -4.528 14.041 4.580 1.00 0.53 C ATOM 1065 O SER A 70 -4.154 14.764 5.513 1.00 0.57 O ATOM 1066 CB SER A 70 -5.277 16.119 3.299 1.00 0.70 C ATOM 1067 OG SER A 70 -4.313 16.442 2.305 1.00 0.77 O ATOM 0 H SER A 70 -7.181 13.420 3.105 1.00 0.72 H new ATOM 0 HA SER A 70 -5.130 14.148 2.511 1.00 0.57 H new ATOM 0 HB2 SER A 70 -6.238 16.560 3.032 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.979 16.557 4.252 1.00 0.70 H new ATOM 0 HG SER A 70 -4.237 17.416 2.227 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.193 12.748 4.466 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.405 12.066 5.498 1.00 0.47 C ATOM 1075 C PHE A 71 -2.278 11.188 4.918 1.00 0.33 C ATOM 1076 O PHE A 71 -2.432 10.530 3.876 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.349 11.292 6.471 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.533 10.529 5.858 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -5.367 9.226 5.373 1.00 0.73 C ATOM 1080 CD2 PHE A 71 -6.791 11.126 5.712 1.00 0.75 C ATOM 1081 CE1 PHE A 71 -6.412 8.551 4.765 1.00 0.78 C ATOM 1082 CE2 PHE A 71 -7.840 10.439 5.108 1.00 0.81 C ATOM 1083 CZ PHE A 71 -7.739 9.127 4.851 1.00 0.67 C ATOM 0 H PHE A 71 -4.454 12.159 3.675 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.883 12.828 6.077 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.743 10.579 7.030 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.747 12.006 7.192 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -4.408 8.739 5.475 1.00 0.73 H new ATOM 0 HD2 PHE A 71 -6.949 12.132 6.072 1.00 0.75 H new ATOM 0 HE1 PHE A 71 -6.243 7.622 4.242 1.00 0.78 H new ATOM 0 HE2 PHE A 71 -8.744 10.968 4.844 1.00 0.81 H new ATOM 0 HZ PHE A 71 -8.620 8.518 4.712 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.125 11.213 5.621 1.00 0.31 N ATOM 1094 CA GLY A 72 0.060 10.481 5.174 1.00 0.41 C ATOM 1095 C GLY A 72 0.802 9.677 6.229 1.00 0.33 C ATOM 1096 O GLY A 72 0.546 9.770 7.432 1.00 0.47 O ATOM 0 H GLY A 72 -0.999 11.730 6.491 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.240 9.801 4.377 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.757 11.196 4.738 1.00 0.41 H new ATOM 1100 N TYR A 73 1.805 8.935 5.738 1.00 0.28 N ATOM 1101 CA TYR A 73 2.630 8.045 6.565 1.00 0.24 C ATOM 1102 C TYR A 73 4.107 8.495 6.666 1.00 0.21 C ATOM 1103 O TYR A 73 4.642 9.173 5.771 1.00 0.27 O ATOM 1104 CB TYR A 73 2.618 6.627 5.983 1.00 0.36 C ATOM 1105 CG TYR A 73 1.235 6.034 5.645 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.563 6.403 4.473 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.618 5.090 6.472 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.667 5.860 4.149 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.611 4.543 6.139 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.245 4.932 4.982 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.465 4.388 4.653 1.00 0.89 O ATOM 0 H TYR A 73 2.067 8.936 4.752 1.00 0.28 H new ATOM 0 HA TYR A 73 2.192 8.077 7.563 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.221 6.626 5.075 1.00 0.36 H new ATOM 0 HB3 TYR A 73 3.110 5.962 6.693 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.014 7.126 3.809 1.00 0.47 H new ATOM 0 HD2 TYR A 73 1.107 4.782 7.385 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -1.172 6.164 3.244 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.071 3.812 6.787 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.404 3.954 3.776 1.00 0.89 H new ATOM 1121 N ASP A 74 4.769 8.044 7.755 1.00 0.17 N ATOM 1122 CA ASP A 74 6.189 8.368 8.033 1.00 0.16 C ATOM 1123 C ASP A 74 7.063 7.095 8.131 1.00 0.15 C ATOM 1124 O ASP A 74 6.781 6.183 8.917 1.00 0.24 O ATOM 1125 CB ASP A 74 6.323 9.170 9.347 1.00 0.21 C ATOM 1126 CG ASP A 74 6.087 10.670 9.188 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.138 11.049 8.469 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.851 11.459 9.782 1.00 0.40 O ATOM 0 H ASP A 74 4.339 7.449 8.463 1.00 0.17 H new ATOM 0 HA ASP A 74 6.542 8.970 7.196 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.613 8.776 10.074 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.320 9.011 9.757 1.00 0.21 H new ATOM 1133 N ILE A 75 8.136 7.066 7.319 1.00 0.10 N ATOM 1134 CA ILE A 75 9.096 5.941 7.273 1.00 0.09 C ATOM 1135 C ILE A 75 10.532 6.485 7.578 1.00 0.08 C ATOM 1136 O ILE A 75 11.140 7.095 6.706 1.00 0.12 O ATOM 1137 CB ILE A 75 9.090 5.195 5.860 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.676 4.831 5.375 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.883 3.865 5.859 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.046 5.779 4.385 1.00 0.15 C ATOM 0 H ILE A 75 8.364 7.822 6.674 1.00 0.10 H new ATOM 0 HA ILE A 75 8.794 5.210 8.024 1.00 0.09 H new ATOM 0 HB ILE A 75 9.558 5.925 5.200 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.713 3.840 4.924 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.023 4.761 6.245 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.836 3.414 4.868 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.923 4.061 6.119 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.449 3.182 6.589 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.053 5.418 4.117 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.964 6.770 4.832 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.665 5.835 3.490 1.00 0.15 H new ATOM 1152 N PRO A 76 11.090 6.294 8.813 1.00 0.09 N ATOM 1153 CA PRO A 76 12.462 6.746 9.136 1.00 0.10 C ATOM 1154 C PRO A 76 13.587 5.748 8.715 1.00 0.09 C ATOM 1155 O PRO A 76 13.640 4.615 9.201 1.00 0.11 O ATOM 1156 CB PRO A 76 12.394 6.935 10.652 1.00 0.14 C ATOM 1157 CG PRO A 76 11.445 5.858 11.122 1.00 0.15 C ATOM 1158 CD PRO A 76 10.434 5.674 9.993 1.00 0.12 C ATOM 0 HA PRO A 76 12.737 7.645 8.584 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.377 6.826 11.111 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.029 7.928 10.913 1.00 0.14 H new ATOM 0 HG2 PRO A 76 11.978 4.929 11.325 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.949 6.150 12.048 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.217 4.620 9.820 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.486 6.161 10.224 1.00 0.12 H new ATOM 1166 N ILE A 77 14.467 6.201 7.800 1.00 0.09 N ATOM 1167 CA ILE A 77 15.582 5.372 7.274 1.00 0.10 C ATOM 1168 C ILE A 77 16.975 6.051 7.530 1.00 0.13 C ATOM 1169 O ILE A 77 17.090 7.272 7.698 1.00 0.19 O ATOM 1170 CB ILE A 77 15.392 5.048 5.722 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.902 4.858 5.345 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.140 3.749 5.273 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.265 5.943 4.504 1.00 0.19 C ATOM 0 H ILE A 77 14.431 7.141 7.405 1.00 0.09 H new ATOM 0 HA ILE A 77 15.561 4.428 7.819 1.00 0.10 H new ATOM 0 HB ILE A 77 15.814 5.914 5.212 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.805 3.913 4.810 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.328 4.762 6.267 1.00 0.11 H new ATOM 0 HG21 ILE A 77 15.973 3.582 4.209 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.208 3.861 5.459 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.761 2.897 5.838 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.223 5.689 4.311 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.314 6.893 5.037 1.00 0.19 H new ATOM 0 HD13 ILE A 77 13.799 6.030 3.558 1.00 0.19 H new ATOM 1185 N LYS A 78 18.020 5.201 7.531 1.00 0.15 N ATOM 1186 CA LYS A 78 19.420 5.615 7.746 1.00 0.20 C ATOM 1187 C LYS A 78 20.429 4.783 6.895 1.00 0.21 C ATOM 1188 O LYS A 78 21.636 4.836 7.158 1.00 0.25 O ATOM 1189 CB LYS A 78 19.797 5.467 9.241 1.00 0.27 C ATOM 1190 CG LYS A 78 19.113 6.475 10.192 1.00 0.87 C ATOM 1191 CD LYS A 78 19.447 6.204 11.677 1.00 1.32 C ATOM 1192 CE LYS A 78 18.751 7.192 12.627 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.057 6.889 14.053 1.00 2.53 N ATOM 0 H LYS A 78 17.915 4.198 7.381 1.00 0.15 H new ATOM 0 HA LYS A 78 19.487 6.657 7.432 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.545 4.457 9.565 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.877 5.574 9.340 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.425 7.486 9.931 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.033 6.428 10.051 1.00 0.87 H new ATOM 0 HD2 LYS A 78 19.149 5.187 11.933 1.00 1.32 H new ATOM 0 HD3 LYS A 78 20.526 6.266 11.821 1.00 1.32 H new ATOM 0 HE2 LYS A 78 19.070 8.208 12.394 1.00 1.91 H new ATOM 0 HE3 LYS A 78 17.673 7.152 12.469 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 18.571 7.575 14.666 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 18.730 5.928 14.282 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 20.083 6.952 14.209 1.00 2.53 H new ATOM 1207 N GLU A 79 19.950 4.025 5.866 1.00 0.19 N ATOM 1208 CA GLU A 79 20.828 3.195 5.024 1.00 0.22 C ATOM 1209 C GLU A 79 20.679 3.515 3.519 1.00 0.20 C ATOM 1210 O GLU A 79 19.797 4.285 3.106 1.00 0.18 O ATOM 1211 CB GLU A 79 20.509 1.708 5.277 1.00 0.24 C ATOM 1212 CG GLU A 79 20.997 1.165 6.628 1.00 0.55 C ATOM 1213 CD GLU A 79 20.567 -0.269 6.865 1.00 1.17 C ATOM 1214 OE1 GLU A 79 21.300 -1.187 6.438 1.00 1.03 O ATOM 1215 OE2 GLU A 79 19.496 -0.477 7.475 1.00 2.12 O ATOM 0 H GLU A 79 18.964 3.980 5.610 1.00 0.19 H new ATOM 0 HA GLU A 79 21.860 3.417 5.297 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.430 1.566 5.213 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.956 1.114 4.480 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.084 1.227 6.670 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.611 1.794 7.430 1.00 0.55 H new ATOM 1222 N GLU A 80 21.553 2.905 2.698 1.00 0.26 N ATOM 1223 CA GLU A 80 21.534 3.109 1.243 1.00 0.25 C ATOM 1224 C GLU A 80 21.569 1.787 0.454 1.00 0.27 C ATOM 1225 O GLU A 80 22.241 0.818 0.833 1.00 0.32 O ATOM 1226 CB GLU A 80 22.723 3.983 0.814 1.00 0.27 C ATOM 1227 CG GLU A 80 22.658 5.459 1.257 1.00 0.28 C ATOM 1228 CD GLU A 80 23.771 5.813 2.228 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.906 6.057 1.768 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.506 5.845 3.448 1.00 0.42 O ATOM 0 H GLU A 80 22.281 2.267 3.020 1.00 0.26 H new ATOM 0 HA GLU A 80 20.593 3.607 1.012 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.637 3.543 1.212 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.801 3.951 -0.273 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.724 6.103 0.380 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.693 5.655 1.725 1.00 0.28 H new ATOM 1237 N GLY A 81 20.845 1.794 -0.668 1.00 0.22 N ATOM 1238 CA GLY A 81 20.760 0.636 -1.557 1.00 0.23 C ATOM 1239 C GLY A 81 19.515 0.672 -2.438 1.00 0.19 C ATOM 1240 O GLY A 81 19.201 1.723 -3.018 1.00 0.18 O ATOM 0 H GLY A 81 20.304 2.599 -0.983 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.648 0.599 -2.188 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.755 -0.277 -0.961 1.00 0.23 H new ATOM 1244 N GLU A 82 18.797 -0.473 -2.576 1.00 0.20 N ATOM 1245 CA GLU A 82 17.568 -0.488 -3.383 1.00 0.17 C ATOM 1246 C GLU A 82 16.327 -0.752 -2.507 1.00 0.18 C ATOM 1247 O GLU A 82 16.150 -1.836 -1.968 1.00 0.30 O ATOM 1248 CB GLU A 82 17.662 -1.551 -4.490 1.00 0.19 C ATOM 1249 CG GLU A 82 18.792 -1.366 -5.526 1.00 0.26 C ATOM 1250 CD GLU A 82 18.717 -0.050 -6.288 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.823 0.084 -7.150 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.549 0.841 -6.019 1.00 1.75 O ATOM 0 H GLU A 82 19.044 -1.366 -2.151 1.00 0.20 H new ATOM 0 HA GLU A 82 17.462 0.495 -3.841 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.788 -2.525 -4.018 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.711 -1.575 -5.022 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.753 -1.425 -5.016 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.758 -2.190 -6.238 1.00 0.26 H new ATOM 1259 N TYR A 83 15.456 0.258 -2.377 1.00 0.08 N ATOM 1260 CA TYR A 83 14.229 0.133 -1.558 1.00 0.08 C ATOM 1261 C TYR A 83 12.995 -0.028 -2.448 1.00 0.08 C ATOM 1262 O TYR A 83 12.817 0.706 -3.413 1.00 0.12 O ATOM 1263 CB TYR A 83 14.059 1.350 -0.638 1.00 0.10 C ATOM 1264 CG TYR A 83 15.123 1.433 0.455 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.440 1.769 0.143 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.828 1.150 1.785 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.411 1.826 1.110 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.801 1.201 2.749 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.086 1.539 2.408 1.00 0.16 C ATOM 1270 OH TYR A 83 18.052 1.571 3.375 1.00 0.21 O ATOM 0 H TYR A 83 15.572 1.168 -2.823 1.00 0.08 H new ATOM 0 HA TYR A 83 14.331 -0.759 -0.939 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.093 2.259 -1.239 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.073 1.312 -0.174 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.701 1.989 -0.882 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.818 0.886 2.062 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.424 2.095 0.849 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.556 0.975 3.776 1.00 0.19 H new ATOM 0 HH TYR A 83 18.102 2.472 3.758 1.00 0.21 H new ATOM 1280 N VAL A 84 12.134 -0.992 -2.109 1.00 0.08 N ATOM 1281 CA VAL A 84 10.935 -1.276 -2.951 1.00 0.10 C ATOM 1282 C VAL A 84 9.626 -1.049 -2.156 1.00 0.10 C ATOM 1283 O VAL A 84 9.399 -1.642 -1.095 1.00 0.10 O ATOM 1284 CB VAL A 84 10.926 -2.744 -3.635 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.102 -2.787 -4.952 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.327 -3.296 -3.977 1.00 0.20 C ATOM 0 H VAL A 84 12.227 -1.583 -1.283 1.00 0.08 H new ATOM 0 HA VAL A 84 10.995 -0.562 -3.773 1.00 0.10 H new ATOM 0 HB VAL A 84 10.470 -3.365 -2.864 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.131 -3.795 -5.366 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.069 -2.510 -4.744 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.528 -2.087 -5.671 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.229 -4.282 -4.431 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.823 -2.623 -4.676 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.920 -3.374 -3.066 1.00 0.20 H new ATOM 1296 N LEU A 85 8.777 -0.177 -2.730 1.00 0.12 N ATOM 1297 CA LEU A 85 7.464 0.151 -2.163 1.00 0.15 C ATOM 1298 C LEU A 85 6.334 -0.482 -3.002 1.00 0.16 C ATOM 1299 O LEU A 85 6.095 -0.098 -4.149 1.00 0.21 O ATOM 1300 CB LEU A 85 7.301 1.687 -2.093 1.00 0.25 C ATOM 1301 CG LEU A 85 6.266 2.252 -1.067 1.00 0.43 C ATOM 1302 CD1 LEU A 85 6.921 3.218 -0.090 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.114 2.969 -1.763 1.00 0.61 C ATOM 0 H LEU A 85 8.985 0.317 -3.598 1.00 0.12 H new ATOM 0 HA LEU A 85 7.399 -0.259 -1.155 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.275 2.119 -1.863 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.021 2.042 -3.085 1.00 0.25 H new ATOM 0 HG LEU A 85 5.876 1.392 -0.522 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.173 3.592 0.609 1.00 0.78 H new ATOM 0 HD12 LEU A 85 7.706 2.701 0.461 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.354 4.054 -0.640 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.416 3.347 -1.016 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.504 3.801 -2.349 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.597 2.272 -2.422 1.00 0.61 H new ATOM 1315 N VAL A 86 5.671 -1.484 -2.406 1.00 0.17 N ATOM 1316 CA VAL A 86 4.545 -2.216 -3.052 1.00 0.21 C ATOM 1317 C VAL A 86 3.269 -2.027 -2.190 1.00 0.21 C ATOM 1318 O VAL A 86 3.285 -2.252 -0.975 1.00 0.27 O ATOM 1319 CB VAL A 86 4.772 -3.798 -3.296 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.159 -4.265 -4.640 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.249 -4.283 -3.263 1.00 0.32 C ATOM 0 H VAL A 86 5.890 -1.817 -1.467 1.00 0.17 H new ATOM 0 HA VAL A 86 4.458 -1.782 -4.048 1.00 0.21 H new ATOM 0 HB VAL A 86 4.264 -4.246 -2.442 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.332 -5.334 -4.767 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.087 -4.069 -4.638 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.626 -3.721 -5.461 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.283 -5.358 -3.438 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.818 -3.771 -4.039 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.683 -4.060 -2.288 1.00 0.32 H new ATOM 1331 N LEU A 87 2.173 -1.615 -2.838 1.00 0.20 N ATOM 1332 CA LEU A 87 0.895 -1.399 -2.122 1.00 0.22 C ATOM 1333 C LEU A 87 -0.308 -2.025 -2.836 1.00 0.22 C ATOM 1334 O LEU A 87 -0.449 -1.919 -4.067 1.00 0.26 O ATOM 1335 CB LEU A 87 0.577 0.120 -1.886 1.00 0.31 C ATOM 1336 CG LEU A 87 1.355 1.192 -2.718 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.906 1.262 -4.180 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.205 2.576 -2.086 1.00 0.88 C ATOM 0 H LEU A 87 2.137 -1.425 -3.840 1.00 0.20 H new ATOM 0 HA LEU A 87 1.044 -1.895 -1.163 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.487 0.267 -2.072 1.00 0.31 H new ATOM 0 HB3 LEU A 87 0.749 0.333 -0.831 1.00 0.31 H new ATOM 0 HG LEU A 87 2.399 0.880 -2.707 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.484 2.024 -4.702 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.067 0.295 -4.657 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.153 1.516 -4.224 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.753 3.308 -2.679 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.150 2.850 -2.056 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.604 2.558 -1.072 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.198 -2.670 -2.038 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.448 -3.249 -2.593 1.00 0.26 C ATOM 1352 C LYS A 88 -3.636 -2.324 -2.283 1.00 0.27 C ATOM 1353 O LYS A 88 -4.031 -2.149 -1.129 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.756 -4.693 -2.085 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.532 -5.582 -3.093 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.614 -6.306 -4.118 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.093 -7.662 -3.613 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.228 -8.332 -4.623 1.00 2.52 N ATOM 0 H LYS A 88 -1.078 -2.800 -1.033 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.295 -3.329 -3.669 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.815 -5.185 -1.837 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.333 -4.624 -1.163 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.105 -6.327 -2.541 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -4.249 -4.964 -3.633 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -3.166 -6.459 -5.046 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.766 -5.663 -4.354 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.529 -7.515 -2.692 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.937 -8.308 -3.371 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -0.761 -9.154 -4.190 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -1.811 -8.647 -5.425 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.507 -7.663 -4.961 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.211 -1.752 -3.348 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.355 -0.835 -3.221 1.00 0.29 C ATOM 1374 C PHE A 89 -6.664 -1.551 -3.621 1.00 0.31 C ATOM 1375 O PHE A 89 -6.730 -2.254 -4.636 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.160 0.400 -4.140 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.363 1.574 -3.555 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.787 2.198 -2.382 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.205 2.078 -4.183 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.097 3.272 -1.855 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.520 3.146 -3.643 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.960 3.742 -2.491 1.00 0.31 C ATOM 0 H PHE A 89 -3.904 -1.907 -4.308 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.417 -0.513 -2.182 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.661 0.071 -5.052 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.144 0.768 -4.430 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.670 1.835 -1.877 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.851 1.623 -5.096 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.444 3.745 -0.948 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.630 3.515 -4.132 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.419 4.580 -2.078 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.710 -1.363 -2.789 1.00 0.33 N ATOM 1393 CA ALA A 90 -9.046 -2.000 -3.007 1.00 0.36 C ATOM 1394 C ALA A 90 -10.206 -0.998 -2.710 1.00 0.39 C ATOM 1395 O ALA A 90 -10.061 -0.063 -1.889 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.200 -3.302 -2.152 1.00 0.41 C ATOM 0 H ALA A 90 -7.665 -0.776 -1.956 1.00 0.33 H new ATOM 0 HA ALA A 90 -9.108 -2.281 -4.058 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.181 -3.742 -2.332 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.425 -4.016 -2.433 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.101 -3.057 -1.095 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.360 -1.196 -3.396 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.548 -0.335 -3.229 1.00 0.53 C ATOM 1404 C GLU A 91 -13.828 -1.153 -2.938 1.00 0.63 C ATOM 1405 O GLU A 91 -14.038 -2.238 -3.496 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.754 0.511 -4.502 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.520 1.828 -4.296 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.737 2.579 -5.596 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.333 1.998 -6.528 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.314 3.750 -5.681 1.00 2.61 O ATOM 0 H GLU A 91 -11.488 -1.949 -4.072 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.369 0.311 -2.369 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.777 0.740 -4.929 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -13.289 -0.091 -5.236 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.485 1.616 -3.836 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -12.968 2.461 -3.601 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.689 -0.595 -2.067 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.987 -1.245 -1.679 1.00 0.76 C ATOM 1419 C VAL A 92 -17.239 -0.406 -2.118 1.00 0.66 C ATOM 1420 O VAL A 92 -18.265 -0.977 -2.497 1.00 1.19 O ATOM 1421 CB VAL A 92 -16.117 -1.658 -0.124 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.369 -2.970 0.182 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.651 -0.582 0.904 1.00 2.00 C ATOM 0 H VAL A 92 -14.524 0.302 -1.611 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.968 -2.180 -2.239 1.00 0.76 H new ATOM 0 HB VAL A 92 -17.193 -1.775 0.007 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.480 -3.214 1.238 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.785 -3.776 -0.423 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.312 -2.849 -0.053 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.782 -0.965 1.916 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.599 -0.351 0.737 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -16.246 0.323 0.778 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.126 0.942 -2.056 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.217 1.862 -2.430 1.00 0.80 C ATOM 1435 C TYR A 93 -17.774 2.859 -3.527 1.00 0.86 C ATOM 1436 O TYR A 93 -16.629 3.329 -3.532 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.688 2.632 -1.177 1.00 1.23 C ATOM 1438 CG TYR A 93 -20.211 2.819 -1.056 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -21.072 1.744 -0.786 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.788 4.083 -1.216 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -22.441 1.932 -0.683 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -22.158 4.267 -1.112 1.00 1.43 C ATOM 1443 CZ TYR A 93 -22.980 3.125 -0.824 1.00 1.67 C ATOM 1444 OH TYR A 93 -24.333 3.375 -0.745 1.00 2.27 O ATOM 0 H TYR A 93 -16.278 1.417 -1.746 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.038 1.270 -2.835 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -18.331 2.106 -0.292 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.216 3.615 -1.175 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.661 0.754 -0.656 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.154 4.932 -1.425 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -23.078 1.083 -0.483 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.596 5.245 -1.244 1.00 1.43 H new ATOM 0 HH TYR A 93 -24.497 4.332 -0.880 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.719 3.155 -4.472 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.555 4.089 -5.637 1.00 0.82 C ATOM 1456 C PHE A 94 -18.093 3.335 -6.895 1.00 0.76 C ATOM 1457 O PHE A 94 -16.905 3.033 -7.051 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.607 5.299 -5.377 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.054 6.255 -4.267 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.186 7.055 -4.428 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.340 6.362 -3.068 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -19.590 7.929 -3.429 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -17.745 7.234 -2.072 1.00 1.23 C ATOM 1464 CZ PHE A 94 -18.868 8.016 -2.251 1.00 1.37 C ATOM 0 H PHE A 94 -19.649 2.736 -4.444 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.550 4.507 -5.792 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.617 4.917 -5.128 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -17.506 5.866 -6.303 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -19.756 6.993 -5.343 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.460 5.755 -2.917 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -20.468 8.542 -3.570 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.181 7.302 -1.153 1.00 1.23 H new ATOM 0 HZ PHE A 94 -19.183 8.695 -1.473 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.059 3.029 -7.799 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.773 2.302 -9.058 1.00 0.73 C ATOM 1476 C ALA A 95 -18.731 3.272 -10.284 1.00 0.72 C ATOM 1477 O ALA A 95 -19.733 3.529 -10.982 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.778 1.131 -9.248 1.00 0.82 C ATOM 0 H ALA A 95 -20.041 3.275 -7.677 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.777 1.864 -8.989 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.555 0.607 -10.177 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.692 0.438 -8.411 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.793 1.526 -9.289 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.539 3.860 -10.484 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.293 4.802 -11.595 1.00 0.66 C ATOM 1486 C GLN A 96 -15.816 4.790 -12.059 1.00 0.58 C ATOM 1487 O GLN A 96 -14.889 4.642 -11.251 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.701 6.236 -11.176 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.237 7.129 -12.317 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.608 6.698 -12.817 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -19.719 5.892 -13.741 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -20.658 7.233 -12.205 1.00 2.45 N ATOM 0 H GLN A 96 -16.726 3.700 -9.889 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.903 4.475 -12.437 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -18.465 6.167 -10.401 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.836 6.726 -10.729 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.291 8.160 -11.968 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.531 7.110 -13.147 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -20.521 7.897 -11.443 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -21.602 6.980 -12.497 1.00 2.45 H new ATOM 1501 N SER A 97 -15.621 4.973 -13.381 1.00 0.64 N ATOM 1502 CA SER A 97 -14.280 4.986 -14.005 1.00 0.62 C ATOM 1503 C SER A 97 -13.986 6.316 -14.728 1.00 0.81 C ATOM 1504 O SER A 97 -14.699 6.705 -15.661 1.00 1.66 O ATOM 1505 CB SER A 97 -14.152 3.832 -15.007 1.00 0.68 C ATOM 1506 OG SER A 97 -14.019 2.581 -14.354 1.00 0.73 O ATOM 0 H SER A 97 -16.383 5.115 -14.044 1.00 0.64 H new ATOM 0 HA SER A 97 -13.554 4.870 -13.201 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.029 3.813 -15.654 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.287 4.001 -15.648 1.00 0.68 H new ATOM 0 HG SER A 97 -13.942 1.869 -15.023 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.900 7.003 -14.268 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.408 8.333 -14.788 1.00 0.54 C ATOM 1514 C GLN A 98 -13.339 9.520 -14.374 1.00 0.56 C ATOM 1515 O GLN A 98 -13.853 10.272 -15.210 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.166 8.304 -16.326 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.299 9.456 -16.873 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.811 9.194 -18.282 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -11.479 9.535 -19.259 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.637 8.583 -18.392 1.00 1.60 N ATOM 0 H GLN A 98 -12.322 6.646 -13.507 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.444 8.510 -14.311 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -11.691 7.358 -16.586 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.132 8.325 -16.831 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.877 10.380 -16.858 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -10.442 9.605 -16.217 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.119 8.319 -17.554 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -9.253 8.378 -19.315 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.521 9.637 -13.056 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.368 10.654 -12.398 1.00 0.58 C ATOM 1531 C GLN A 99 -13.895 10.840 -10.947 1.00 0.57 C ATOM 1532 O GLN A 99 -13.817 11.965 -10.448 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.859 10.240 -12.406 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.636 10.609 -13.689 1.00 1.18 C ATOM 1535 CD GLN A 99 -16.945 12.098 -13.802 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -17.138 12.789 -12.799 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -16.992 12.600 -15.032 1.00 2.02 N ATOM 0 H GLN A 99 -13.071 9.009 -12.390 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.275 11.589 -12.951 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.921 9.162 -12.260 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.354 10.706 -11.554 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.056 10.299 -14.558 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.571 10.049 -13.713 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -16.827 11.995 -15.836 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -17.193 13.590 -15.171 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.580 9.698 -10.277 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.050 9.677 -8.906 1.00 0.55 C ATOM 1548 C LYS A 100 -11.541 9.354 -8.972 1.00 0.48 C ATOM 1549 O LYS A 100 -11.117 8.203 -8.818 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.796 8.627 -8.044 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.345 8.695 -8.115 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.936 9.918 -7.375 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.471 9.962 -7.471 1.00 2.14 C ATOM 1554 NZ LYS A 100 -18.098 8.729 -6.919 1.00 2.76 N ATOM 0 H LYS A 100 -13.691 8.769 -10.683 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.201 10.650 -8.438 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.477 7.632 -8.355 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -13.490 8.749 -7.005 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.653 8.727 -9.160 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.762 7.783 -7.687 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.639 9.886 -6.327 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -15.520 10.833 -7.797 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.844 10.832 -6.930 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.766 10.084 -8.513 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -19.128 8.859 -6.861 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -17.885 7.923 -7.541 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -17.719 8.542 -5.969 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.748 10.414 -9.215 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.269 10.315 -9.375 1.00 0.40 C ATOM 1570 C VAL A 101 -8.519 10.927 -8.162 1.00 0.41 C ATOM 1571 O VAL A 101 -8.815 12.044 -7.720 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.699 10.925 -10.750 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.604 9.847 -11.849 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.480 12.141 -11.334 1.00 0.68 C ATOM 0 H VAL A 101 -11.105 11.365 -9.307 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.072 9.244 -9.419 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.715 11.294 -10.462 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.215 10.294 -12.764 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -7.935 9.051 -11.521 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.594 9.433 -12.039 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.006 12.467 -12.260 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.510 11.848 -11.537 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.471 12.959 -10.614 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.531 10.170 -7.660 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.760 10.560 -6.460 1.00 0.40 C ATOM 1586 C PHE A 102 -5.259 10.855 -6.703 1.00 0.38 C ATOM 1587 O PHE A 102 -4.759 10.747 -7.825 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.852 9.414 -5.465 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.276 9.096 -4.999 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.009 10.006 -4.227 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.869 7.876 -5.310 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.286 9.701 -3.786 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.146 7.574 -4.871 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.895 8.543 -4.193 1.00 0.69 C ATOM 0 H PHE A 102 -7.243 9.280 -8.066 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.197 11.494 -6.106 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.422 8.520 -5.917 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.243 9.655 -4.594 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.572 10.960 -3.972 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.325 7.155 -5.902 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.802 10.377 -3.120 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.563 6.594 -5.051 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.944 8.379 -3.993 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.536 11.247 -5.612 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.074 11.543 -5.710 1.00 0.34 C ATOM 1606 C ASP A 103 -2.235 10.745 -4.682 1.00 0.32 C ATOM 1607 O ASP A 103 -2.635 10.570 -3.524 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.730 13.047 -5.526 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.453 14.031 -6.455 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.073 13.583 -7.440 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -3.403 15.248 -6.178 1.00 1.33 O ATOM 0 H ASP A 103 -4.929 11.363 -4.678 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.817 11.238 -6.725 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -2.952 13.324 -4.495 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.656 13.171 -5.666 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.040 10.295 -5.130 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.091 9.508 -4.299 1.00 0.28 C ATOM 1618 C VAL A 104 1.379 10.066 -4.511 1.00 0.26 C ATOM 1619 O VAL A 104 1.900 10.099 -5.653 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.317 7.915 -4.565 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.933 7.006 -4.541 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.282 7.329 -3.536 1.00 0.48 C ATOM 0 H VAL A 104 -0.704 10.466 -6.078 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.278 9.627 -3.232 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.695 7.909 -5.587 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.637 5.975 -4.732 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.634 7.331 -5.310 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.411 7.071 -3.564 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.420 6.265 -3.731 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -0.873 7.465 -2.535 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.243 7.838 -3.607 1.00 0.48 H new ATOM 1632 N ARG A 105 2.029 10.431 -3.369 1.00 0.26 N ATOM 1633 CA ARG A 105 3.389 11.040 -3.364 1.00 0.26 C ATOM 1634 C ARG A 105 4.447 10.291 -2.493 1.00 0.23 C ATOM 1635 O ARG A 105 4.116 9.735 -1.439 1.00 0.26 O ATOM 1636 CB ARG A 105 3.309 12.497 -2.826 1.00 0.33 C ATOM 1637 CG ARG A 105 2.003 13.274 -3.140 1.00 0.53 C ATOM 1638 CD ARG A 105 2.148 14.782 -2.884 1.00 0.51 C ATOM 1639 NE ARG A 105 0.906 15.494 -3.160 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.835 16.802 -3.411 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.928 17.554 -3.380 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.335 17.362 -3.688 1.00 1.69 N ATOM 0 H ARG A 105 1.630 10.313 -2.438 1.00 0.26 H new ATOM 0 HA ARG A 105 3.719 10.984 -4.401 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.440 12.470 -1.744 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.149 13.059 -3.235 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.726 13.109 -4.181 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.192 12.880 -2.528 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.442 14.949 -1.848 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.945 15.183 -3.510 1.00 0.51 H new ATOM 0 HE ARG A 105 0.038 14.959 -3.161 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.831 17.132 -3.163 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.865 18.554 -3.573 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.181 16.792 -3.709 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.389 18.362 -3.880 1.00 1.69 H new ATOM 1656 N VAL A 106 5.743 10.319 -2.948 1.00 0.23 N ATOM 1657 CA VAL A 106 6.899 9.689 -2.197 1.00 0.23 C ATOM 1658 C VAL A 106 8.017 10.726 -1.807 1.00 0.22 C ATOM 1659 O VAL A 106 8.783 11.179 -2.659 1.00 0.23 O ATOM 1660 CB VAL A 106 7.575 8.406 -2.898 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.752 7.126 -2.661 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.857 8.543 -4.425 1.00 0.60 C ATOM 0 H VAL A 106 6.018 10.766 -3.823 1.00 0.23 H new ATOM 0 HA VAL A 106 6.413 9.321 -1.293 1.00 0.23 H new ATOM 0 HB VAL A 106 8.546 8.339 -2.408 1.00 0.29 H new ATOM 0 HG11 VAL A 106 7.241 6.283 -3.150 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.680 6.933 -1.591 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.752 7.255 -3.075 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.312 7.624 -4.795 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.921 8.722 -4.953 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.536 9.378 -4.596 1.00 0.60 H new ATOM 1672 N ASN A 107 8.092 11.080 -0.479 1.00 0.23 N ATOM 1673 CA ASN A 107 9.069 12.079 0.142 1.00 0.23 C ATOM 1674 C ASN A 107 8.899 13.545 -0.347 1.00 0.24 C ATOM 1675 O ASN A 107 9.839 14.349 -0.297 1.00 0.25 O ATOM 1676 CB ASN A 107 10.525 11.668 -0.109 1.00 0.23 C ATOM 1677 CG ASN A 107 11.324 11.426 1.153 1.00 0.27 C ATOM 1678 OD1 ASN A 107 11.150 12.112 2.158 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.205 10.453 1.084 1.00 1.12 N ATOM 0 H ASN A 107 7.464 10.675 0.216 1.00 0.23 H new ATOM 0 HA ASN A 107 8.827 12.053 1.205 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.536 10.761 -0.713 1.00 0.23 H new ATOM 0 HB3 ASN A 107 11.016 12.446 -0.693 1.00 0.23 H new ATOM 0 HD21 ASN A 107 12.788 10.235 1.892 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.306 9.916 0.222 1.00 1.12 H new ATOM 1686 N GLY A 108 7.689 13.870 -0.795 1.00 0.25 N ATOM 1687 CA GLY A 108 7.403 15.187 -1.349 1.00 0.29 C ATOM 1688 C GLY A 108 7.254 15.188 -2.892 1.00 0.29 C ATOM 1689 O GLY A 108 6.785 16.164 -3.481 1.00 0.32 O ATOM 0 H GLY A 108 6.890 13.236 -0.784 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.485 15.569 -0.903 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.203 15.872 -1.068 1.00 0.29 H new ATOM 1693 N HIS A 109 7.673 14.057 -3.521 1.00 0.27 N ATOM 1694 CA HIS A 109 7.646 13.811 -4.975 1.00 0.28 C ATOM 1695 C HIS A 109 6.294 13.218 -5.460 1.00 0.30 C ATOM 1696 O HIS A 109 5.466 12.824 -4.652 1.00 0.57 O ATOM 1697 CB HIS A 109 8.762 12.795 -5.264 1.00 0.29 C ATOM 1698 CG HIS A 109 10.156 13.306 -5.036 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.803 14.146 -5.916 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.025 13.092 -4.013 1.00 0.27 C ATOM 1701 CE1 HIS A 109 12.007 14.427 -5.448 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.163 13.800 -4.297 1.00 0.36 N ATOM 0 H HIS A 109 8.052 13.265 -3.002 1.00 0.27 H new ATOM 0 HA HIS A 109 7.781 14.757 -5.499 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.605 11.917 -4.637 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.676 12.467 -6.300 1.00 0.29 H new ATOM 0 HD2 HIS A 109 10.851 12.479 -3.141 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.739 15.062 -5.926 1.00 0.46 H new ATOM 0 HE2 HIS A 109 12.998 13.837 -3.712 1.00 0.36 H new ATOM 1711 N THR A 110 6.071 13.156 -6.785 1.00 0.31 N ATOM 1712 CA THR A 110 4.809 12.576 -7.318 1.00 0.32 C ATOM 1713 C THR A 110 5.059 11.388 -8.248 1.00 0.35 C ATOM 1714 O THR A 110 5.903 11.439 -9.152 1.00 0.47 O ATOM 1715 CB THR A 110 3.852 13.584 -8.043 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.534 14.783 -8.461 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.652 13.957 -7.155 1.00 0.47 C ATOM 0 H THR A 110 6.723 13.488 -7.495 1.00 0.31 H new ATOM 0 HA THR A 110 4.298 12.250 -6.412 1.00 0.32 H new ATOM 0 HB THR A 110 3.491 13.071 -8.934 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.900 15.381 -8.909 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.009 14.657 -7.688 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.086 13.058 -6.911 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.010 14.421 -6.236 1.00 0.47 H new ATOM 1725 N VAL A 111 4.284 10.320 -8.014 1.00 0.29 N ATOM 1726 CA VAL A 111 4.404 9.072 -8.807 1.00 0.35 C ATOM 1727 C VAL A 111 3.061 8.633 -9.449 1.00 0.35 C ATOM 1728 O VAL A 111 3.001 8.465 -10.670 1.00 0.39 O ATOM 1729 CB VAL A 111 5.096 7.846 -8.049 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.628 7.886 -8.228 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.762 7.704 -6.529 1.00 1.00 C ATOM 0 H VAL A 111 3.569 10.287 -7.288 1.00 0.29 H new ATOM 0 HA VAL A 111 5.092 9.351 -9.605 1.00 0.35 H new ATOM 0 HB VAL A 111 4.663 6.968 -8.528 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.078 7.043 -7.704 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.872 7.826 -9.289 1.00 1.06 H new ATOM 0 HG13 VAL A 111 7.018 8.818 -7.818 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.286 6.840 -6.121 1.00 1.00 H new ATOM 0 HG22 VAL A 111 5.079 8.604 -6.001 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.688 7.569 -6.404 1.00 1.00 H new ATOM 1741 N VAL A 112 1.988 8.448 -8.634 1.00 0.33 N ATOM 1742 CA VAL A 112 0.664 8.044 -9.192 1.00 0.35 C ATOM 1743 C VAL A 112 -0.353 9.166 -8.872 1.00 0.34 C ATOM 1744 O VAL A 112 -1.044 9.129 -7.852 1.00 0.32 O ATOM 1745 CB VAL A 112 0.084 6.601 -8.723 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.647 5.883 -9.885 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.140 5.608 -8.176 1.00 0.40 C ATOM 0 H VAL A 112 2.007 8.567 -7.621 1.00 0.33 H new ATOM 0 HA VAL A 112 0.820 7.912 -10.263 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.591 6.858 -7.907 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.023 4.920 -9.539 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.481 6.497 -10.225 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.048 5.725 -10.710 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.650 4.677 -7.891 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.883 5.406 -8.947 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.630 6.042 -7.304 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.438 10.149 -9.799 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.359 11.289 -9.661 1.00 0.38 C ATOM 1759 C LYS A 113 -2.483 11.207 -10.710 1.00 0.43 C ATOM 1760 O LYS A 113 -2.506 11.912 -11.725 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.583 12.624 -9.735 1.00 0.42 C ATOM 1762 CG LYS A 113 -1.470 13.898 -9.745 1.00 1.12 C ATOM 1763 CD LYS A 113 -0.652 15.196 -9.562 1.00 1.27 C ATOM 1764 CE LYS A 113 -0.689 15.720 -8.117 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.292 16.820 -7.901 1.00 2.30 N ATOM 0 H LYS A 113 0.124 10.170 -10.650 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.833 11.246 -8.680 1.00 0.38 H new ATOM 0 HB2 LYS A 113 0.097 12.679 -8.885 1.00 0.42 H new ATOM 0 HB3 LYS A 113 0.032 12.620 -10.635 1.00 0.42 H new ATOM 0 HG2 LYS A 113 -2.017 13.948 -10.687 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -2.212 13.826 -8.949 1.00 1.12 H new ATOM 0 HD2 LYS A 113 0.383 15.013 -9.852 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.040 15.963 -10.233 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -1.692 16.078 -7.886 1.00 1.50 H new ATOM 0 HE3 LYS A 113 -0.475 14.902 -7.429 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 0.410 16.985 -6.881 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.208 16.555 -8.317 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 -0.056 17.689 -8.354 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.403 10.318 -10.359 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.642 9.926 -11.093 1.00 0.42 C ATOM 1781 C ASP A 114 -5.002 8.462 -10.711 1.00 0.38 C ATOM 1782 O ASP A 114 -5.049 7.574 -11.570 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.644 10.156 -12.685 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.556 9.441 -13.541 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -3.777 8.277 -13.935 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -2.502 10.059 -13.798 1.00 2.09 O ATOM 0 H ASP A 114 -3.313 9.799 -9.485 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.416 10.620 -10.766 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -5.619 9.848 -13.063 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -4.556 11.227 -12.865 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.278 8.208 -9.402 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.596 6.846 -8.952 1.00 0.36 C ATOM 1793 C LEU A 115 -7.098 6.540 -8.927 1.00 0.38 C ATOM 1794 O LEU A 115 -7.836 6.950 -8.029 1.00 0.42 O ATOM 1795 CB LEU A 115 -4.956 6.480 -7.587 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.971 5.255 -7.585 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.213 5.148 -6.289 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.652 3.910 -7.869 1.00 1.06 C ATOM 0 H LEU A 115 -5.284 8.915 -8.667 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.143 6.211 -9.714 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.417 7.352 -7.217 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.758 6.275 -6.877 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.282 5.460 -8.405 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.544 4.289 -6.329 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.630 6.055 -6.133 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.916 5.022 -5.466 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.907 3.114 -7.851 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.408 3.717 -7.108 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.125 3.942 -8.850 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.512 5.846 -9.994 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.883 5.343 -10.175 1.00 0.43 C ATOM 1812 C ASP A 116 -8.820 3.795 -10.152 1.00 0.42 C ATOM 1813 O ASP A 116 -8.486 3.156 -11.159 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.602 5.896 -11.475 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.749 6.023 -12.763 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.815 5.212 -12.943 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -9.028 6.933 -13.572 1.00 1.83 O ATOM 0 H ASP A 116 -6.894 5.613 -10.771 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.504 5.712 -9.359 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.448 5.245 -11.694 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -10.009 6.880 -11.242 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.157 3.205 -8.976 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.086 1.724 -8.723 1.00 0.42 C ATOM 1824 C ILE A 117 -10.101 0.863 -9.590 1.00 0.44 C ATOM 1825 O ILE A 117 -9.777 -0.273 -9.959 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.241 1.395 -7.165 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.715 2.567 -6.269 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.493 0.082 -6.756 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.779 3.300 -5.451 1.00 0.68 C ATOM 0 H ILE A 117 -9.487 3.735 -8.169 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.092 1.423 -9.053 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.310 1.260 -7.000 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.966 2.169 -5.585 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.210 3.291 -6.908 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.629 -0.097 -5.689 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.898 -0.758 -7.319 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.430 0.186 -6.974 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.308 4.091 -4.867 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.518 3.736 -6.123 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.270 2.596 -4.779 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.282 1.444 -9.959 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.311 0.761 -10.805 1.00 0.51 C ATOM 1843 C PHE A 118 -11.899 0.702 -12.316 1.00 0.53 C ATOM 1844 O PHE A 118 -12.170 -0.289 -12.994 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.669 1.481 -10.654 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.894 0.633 -11.016 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.359 -0.375 -10.164 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.574 0.845 -12.214 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.463 -1.141 -10.502 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.681 0.079 -12.552 1.00 0.75 C ATOM 1851 CZ PHE A 118 -17.134 -0.916 -11.655 1.00 0.77 C ATOM 0 H PHE A 118 -11.546 2.389 -9.682 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.394 -0.268 -10.455 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.772 1.819 -9.623 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.663 2.371 -11.283 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.850 -0.559 -9.229 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.235 1.617 -12.889 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.792 -1.926 -9.838 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -17.191 0.241 -13.490 1.00 0.75 H new ATOM 0 HZ PHE A 118 -18.014 -1.496 -11.890 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.242 1.792 -12.818 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.699 1.889 -14.210 1.00 0.54 C ATOM 1863 C ASP A 119 -9.387 1.042 -14.427 1.00 0.53 C ATOM 1864 O ASP A 119 -9.107 0.622 -15.554 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.425 3.370 -14.556 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.751 3.757 -16.004 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -10.780 2.855 -16.864 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.987 4.956 -16.265 1.00 0.91 O ATOM 0 H ASP A 119 -11.074 2.632 -12.265 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.456 1.472 -14.875 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.008 4.000 -13.885 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.374 3.586 -14.363 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.597 0.809 -13.332 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.338 0.014 -13.373 1.00 0.48 C ATOM 1875 C ARG A 120 -7.579 -1.522 -13.422 1.00 0.50 C ATOM 1876 O ARG A 120 -7.078 -2.184 -14.334 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.447 0.357 -12.164 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.896 1.807 -12.141 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.686 2.023 -13.072 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.202 3.401 -13.015 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.268 3.892 -13.825 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.714 3.120 -14.751 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.885 5.156 -13.709 1.00 2.43 N ATOM 0 H ARG A 120 -8.819 1.168 -12.403 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.837 0.289 -14.301 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -7.019 0.188 -11.252 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.605 -0.335 -12.145 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.692 2.494 -12.429 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.609 2.061 -11.121 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.883 1.343 -12.789 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.966 1.777 -14.096 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.604 4.022 -12.313 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.004 2.146 -14.844 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.998 3.500 -15.370 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.307 5.753 -12.998 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -2.169 5.531 -14.331 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.343 -2.088 -12.446 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.658 -3.562 -12.455 1.00 0.51 C ATOM 1899 C VAL A 121 -10.015 -3.922 -13.167 1.00 0.56 C ATOM 1900 O VAL A 121 -10.081 -4.937 -13.868 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.573 -4.311 -11.035 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -7.128 -4.750 -10.726 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -9.121 -3.514 -9.811 1.00 0.93 C ATOM 0 H VAL A 121 -8.745 -1.573 -11.663 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.835 -3.951 -13.054 1.00 0.51 H new ATOM 0 HB VAL A 121 -9.234 -5.169 -11.161 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -7.100 -5.254 -9.760 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.781 -5.433 -11.502 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.480 -3.874 -10.698 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -9.013 -4.115 -8.908 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.559 -2.587 -9.699 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -10.174 -3.283 -9.969 1.00 0.93 H new ATOM 1913 N GLY A 122 -11.077 -3.094 -12.982 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.387 -3.357 -13.613 1.00 0.63 C ATOM 1915 C GLY A 122 -13.476 -3.763 -12.616 1.00 0.66 C ATOM 1916 O GLY A 122 -14.404 -3.000 -12.342 1.00 0.85 O ATOM 0 H GLY A 122 -11.048 -2.251 -12.408 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.710 -2.463 -14.147 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.272 -4.147 -14.355 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.330 -4.988 -12.083 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.246 -5.581 -11.083 1.00 0.87 C ATOM 1922 C HIS A 123 -13.599 -5.606 -9.674 1.00 0.73 C ATOM 1923 O HIS A 123 -12.435 -5.209 -9.509 1.00 1.34 O ATOM 1924 CB HIS A 123 -14.643 -7.007 -11.510 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.662 -7.057 -12.614 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -15.341 -7.362 -13.920 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -17.000 -6.841 -12.598 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -16.437 -7.329 -14.659 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -17.456 -7.016 -13.880 1.00 3.01 N ATOM 0 H HIS A 123 -12.560 -5.608 -12.337 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.140 -4.960 -11.032 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -13.749 -7.540 -11.832 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -15.036 -7.538 -10.643 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -17.596 -6.580 -11.736 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -16.490 -7.525 -15.720 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -18.425 -6.920 -14.182 1.00 3.01 H new ATOM 1938 N SER A 124 -14.373 -6.043 -8.641 1.00 0.86 N ATOM 1939 CA SER A 124 -13.895 -6.119 -7.220 1.00 0.70 C ATOM 1940 C SER A 124 -12.846 -7.250 -6.970 1.00 0.99 C ATOM 1941 O SER A 124 -13.175 -8.375 -6.578 1.00 2.08 O ATOM 1942 CB SER A 124 -15.093 -6.297 -6.275 1.00 0.73 C ATOM 1943 OG SER A 124 -15.752 -5.063 -6.037 1.00 1.20 O ATOM 0 H SER A 124 -15.338 -6.351 -8.762 1.00 0.86 H new ATOM 0 HA SER A 124 -13.385 -5.177 -7.015 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.796 -7.009 -6.706 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.753 -6.718 -5.329 1.00 0.73 H new ATOM 0 HG SER A 124 -16.704 -5.227 -5.871 1.00 1.20 H new ATOM 1949 N THR A 125 -11.577 -6.887 -7.229 1.00 0.56 N ATOM 1950 CA THR A 125 -10.387 -7.776 -7.104 1.00 0.51 C ATOM 1951 C THR A 125 -9.236 -7.008 -6.368 1.00 0.48 C ATOM 1952 O THR A 125 -9.499 -6.065 -5.605 1.00 0.51 O ATOM 1953 CB THR A 125 -9.891 -8.288 -8.537 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.971 -7.246 -9.530 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.673 -9.517 -9.054 1.00 0.62 C ATOM 0 H THR A 125 -11.335 -5.946 -7.539 1.00 0.56 H new ATOM 0 HA THR A 125 -10.668 -8.653 -6.521 1.00 0.51 H new ATOM 0 HB THR A 125 -8.853 -8.583 -8.385 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.659 -7.591 -10.393 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.285 -9.811 -10.029 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.557 -10.344 -8.353 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.729 -9.264 -9.145 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.956 -7.423 -6.570 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.793 -6.758 -5.935 1.00 0.43 C ATOM 1965 C ALA A 126 -5.963 -5.883 -6.934 1.00 0.38 C ATOM 1966 O ALA A 126 -5.578 -6.336 -8.027 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.886 -7.820 -5.261 1.00 0.46 C ATOM 0 H ALA A 126 -7.708 -8.213 -7.166 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.186 -6.074 -5.183 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -5.033 -7.327 -4.796 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.455 -8.355 -4.501 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.532 -8.526 -6.012 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.718 -4.600 -6.546 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.892 -3.648 -7.343 1.00 0.32 C ATOM 1975 C HIS A 127 -3.476 -3.543 -6.712 1.00 0.31 C ATOM 1976 O HIS A 127 -3.338 -3.505 -5.492 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.562 -2.247 -7.399 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.881 -1.243 -8.316 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.250 -1.590 -9.497 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.699 0.098 -8.187 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.708 -0.511 -10.039 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.969 0.521 -9.266 1.00 0.38 N ATOM 0 H HIS A 127 -6.083 -4.200 -5.682 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.809 -4.021 -8.364 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.596 -2.368 -7.723 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.590 -1.834 -6.391 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -5.064 0.717 -7.381 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.146 -0.483 -10.961 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.675 1.482 -9.442 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.429 -3.495 -7.546 1.00 0.32 N ATOM 1992 CA ASP A 128 -1.049 -3.444 -7.030 1.00 0.33 C ATOM 1993 C ASP A 128 -0.106 -2.582 -7.895 1.00 0.30 C ATOM 1994 O ASP A 128 -0.036 -2.740 -9.120 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.496 -4.886 -6.939 1.00 0.45 C ATOM 1996 CG ASP A 128 0.324 -5.196 -5.681 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.586 -4.274 -4.888 1.00 2.50 O ATOM 1998 OD2 ASP A 128 0.706 -6.372 -5.504 1.00 2.10 O ATOM 0 H ASP A 128 -2.504 -3.490 -8.563 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.087 -2.973 -6.048 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -1.333 -5.582 -6.987 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.126 -5.075 -7.814 1.00 0.45 H new ATOM 2003 N GLU A 129 0.626 -1.675 -7.220 1.00 0.25 N ATOM 2004 CA GLU A 129 1.626 -0.822 -7.889 1.00 0.30 C ATOM 2005 C GLU A 129 3.036 -1.017 -7.273 1.00 0.27 C ATOM 2006 O GLU A 129 3.203 -1.075 -6.037 1.00 0.25 O ATOM 2007 CB GLU A 129 1.211 0.664 -7.834 1.00 0.43 C ATOM 2008 CG GLU A 129 1.488 1.467 -9.124 1.00 0.91 C ATOM 2009 CD GLU A 129 0.533 1.119 -10.258 1.00 0.76 C ATOM 2010 OE1 GLU A 129 -0.576 1.691 -10.299 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.899 0.274 -11.102 1.00 1.12 O ATOM 0 H GLU A 129 0.544 -1.515 -6.216 1.00 0.25 H new ATOM 0 HA GLU A 129 1.671 -1.127 -8.935 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.146 0.720 -7.611 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.736 1.142 -7.007 1.00 0.43 H new ATOM 0 HG2 GLU A 129 1.411 2.532 -8.906 1.00 0.91 H new ATOM 0 HG3 GLU A 129 2.512 1.281 -9.448 1.00 0.91 H new ATOM 2018 N ILE A 130 4.041 -1.106 -8.176 1.00 0.28 N ATOM 2019 CA ILE A 130 5.470 -1.317 -7.819 1.00 0.28 C ATOM 2020 C ILE A 130 6.319 -0.055 -8.166 1.00 0.29 C ATOM 2021 O ILE A 130 6.310 0.430 -9.304 1.00 0.39 O ATOM 2022 CB ILE A 130 6.093 -2.594 -8.548 1.00 0.31 C ATOM 2023 CG1 ILE A 130 5.006 -3.622 -8.996 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.147 -3.329 -7.656 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.627 -3.566 -10.477 1.00 0.45 C ATOM 0 H ILE A 130 3.885 -1.033 -9.181 1.00 0.28 H new ATOM 0 HA ILE A 130 5.500 -1.494 -6.744 1.00 0.28 H new ATOM 0 HB ILE A 130 6.588 -2.200 -9.436 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.362 -4.626 -8.766 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.107 -3.459 -8.401 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.542 -4.190 -8.195 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.962 -2.645 -7.417 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.673 -3.664 -6.734 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.866 -4.318 -10.687 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.235 -2.577 -10.715 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.509 -3.763 -11.086 1.00 0.45 H new ATOM 2037 N ILE A 131 7.058 0.443 -7.154 1.00 0.21 N ATOM 2038 CA ILE A 131 7.913 1.640 -7.294 1.00 0.26 C ATOM 2039 C ILE A 131 9.341 1.373 -6.682 1.00 0.18 C ATOM 2040 O ILE A 131 9.517 1.552 -5.468 1.00 0.18 O ATOM 2041 CB ILE A 131 7.259 2.931 -6.596 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.717 3.031 -6.820 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.897 4.271 -7.096 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.841 2.589 -5.655 1.00 0.84 C ATOM 0 H ILE A 131 7.079 0.030 -6.222 1.00 0.21 H new ATOM 0 HA ILE A 131 8.006 1.845 -8.361 1.00 0.26 H new ATOM 0 HB ILE A 131 7.464 2.794 -5.534 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.472 4.065 -7.061 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.457 2.431 -7.692 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.419 5.112 -6.593 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.964 4.272 -6.871 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.753 4.363 -8.173 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.791 2.703 -5.926 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.045 1.544 -5.423 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.059 3.204 -4.782 1.00 0.84 H new ATOM 2056 N PRO A 132 10.377 0.905 -7.487 1.00 0.13 N ATOM 2057 CA PRO A 132 11.788 0.737 -6.988 1.00 0.09 C ATOM 2058 C PRO A 132 12.557 2.079 -6.868 1.00 0.08 C ATOM 2059 O PRO A 132 12.566 2.895 -7.794 1.00 0.16 O ATOM 2060 CB PRO A 132 12.460 -0.154 -8.053 1.00 0.13 C ATOM 2061 CG PRO A 132 11.313 -0.755 -8.809 1.00 0.16 C ATOM 2062 CD PRO A 132 10.267 0.347 -8.858 1.00 0.16 C ATOM 0 HA PRO A 132 11.794 0.313 -5.984 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.107 0.429 -8.709 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.081 -0.923 -7.594 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.615 -1.060 -9.811 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.930 -1.644 -8.307 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.487 1.090 -9.624 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.270 -0.040 -9.067 1.00 0.16 H new ATOM 2070 N ILE A 133 13.190 2.269 -5.703 1.00 0.07 N ATOM 2071 CA ILE A 133 13.940 3.495 -5.355 1.00 0.08 C ATOM 2072 C ILE A 133 15.461 3.182 -5.128 1.00 0.08 C ATOM 2073 O ILE A 133 15.836 2.062 -4.759 1.00 0.10 O ATOM 2074 CB ILE A 133 13.305 4.175 -4.055 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.761 3.901 -3.949 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.554 5.714 -4.014 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.236 3.541 -2.552 1.00 0.38 C ATOM 0 H ILE A 133 13.199 1.569 -4.961 1.00 0.07 H new ATOM 0 HA ILE A 133 13.865 4.192 -6.190 1.00 0.08 H new ATOM 0 HB ILE A 133 13.808 3.717 -3.204 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.230 4.787 -4.298 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.509 3.089 -4.631 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.104 6.131 -3.113 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.626 5.909 -4.008 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.105 6.179 -4.892 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.160 3.374 -2.600 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.729 2.635 -2.201 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.446 4.359 -1.863 1.00 0.38 H new ATOM 2089 N SER A 134 16.319 4.198 -5.356 1.00 0.10 N ATOM 2090 CA SER A 134 17.774 4.048 -5.171 1.00 0.12 C ATOM 2091 C SER A 134 18.409 5.255 -4.438 1.00 0.13 C ATOM 2092 O SER A 134 18.383 6.388 -4.927 1.00 0.15 O ATOM 2093 CB SER A 134 18.486 3.786 -6.534 1.00 0.15 C ATOM 2094 OG SER A 134 18.154 4.750 -7.539 1.00 1.31 O ATOM 0 H SER A 134 16.030 5.125 -5.667 1.00 0.10 H new ATOM 0 HA SER A 134 17.921 3.179 -4.530 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.565 3.789 -6.379 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.218 2.792 -6.891 1.00 0.15 H new ATOM 0 HG SER A 134 18.630 4.535 -8.368 1.00 1.31 H new ATOM 2100 N ILE A 135 18.983 4.974 -3.250 1.00 0.13 N ATOM 2101 CA ILE A 135 19.670 5.986 -2.408 1.00 0.15 C ATOM 2102 C ILE A 135 21.186 5.603 -2.295 1.00 0.18 C ATOM 2103 O ILE A 135 21.526 4.470 -1.934 1.00 0.18 O ATOM 2104 CB ILE A 135 18.965 6.125 -0.969 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.434 6.356 -1.111 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.567 7.259 -0.059 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.558 5.467 -0.217 1.00 0.15 C ATOM 0 H ILE A 135 18.985 4.039 -2.843 1.00 0.13 H new ATOM 0 HA ILE A 135 19.593 6.968 -2.875 1.00 0.15 H new ATOM 0 HB ILE A 135 19.164 5.175 -0.474 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.217 7.400 -0.884 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.152 6.190 -2.151 1.00 0.13 H new ATOM 0 HG21 ILE A 135 19.034 7.284 0.892 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.623 7.058 0.122 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.461 8.222 -0.559 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.507 5.702 -0.388 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.739 4.419 -0.457 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.805 5.648 0.829 1.00 0.15 H new ATOM 2119 N LYS A 136 22.066 6.577 -2.611 1.00 0.20 N ATOM 2120 CA LYS A 136 23.530 6.384 -2.555 1.00 0.23 C ATOM 2121 C LYS A 136 24.227 7.633 -2.011 1.00 0.28 C ATOM 2122 O LYS A 136 23.996 8.754 -2.491 1.00 0.29 O ATOM 2123 CB LYS A 136 24.080 6.026 -3.947 1.00 0.22 C ATOM 2124 CG LYS A 136 23.770 4.575 -4.366 1.00 0.25 C ATOM 2125 CD LYS A 136 23.964 4.328 -5.879 1.00 0.94 C ATOM 2126 CE LYS A 136 23.771 2.850 -6.259 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.834 2.649 -7.734 1.00 2.05 N ATOM 0 H LYS A 136 21.785 7.511 -2.909 1.00 0.20 H new ATOM 0 HA LYS A 136 23.736 5.557 -1.875 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.658 6.709 -4.684 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.159 6.177 -3.954 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.414 3.896 -3.807 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.742 4.336 -4.093 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.256 4.940 -6.438 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.964 4.649 -6.172 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.540 2.246 -5.776 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.809 2.500 -5.885 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.700 1.641 -7.953 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.085 3.206 -8.193 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.761 2.960 -8.087 1.00 2.05 H new ATOM 2141 N LYS A 137 25.057 7.427 -0.941 1.00 0.33 N ATOM 2142 CA LYS A 137 25.832 8.509 -0.215 1.00 0.40 C ATOM 2143 C LYS A 137 24.935 9.501 0.604 1.00 0.39 C ATOM 2144 O LYS A 137 25.393 10.569 1.024 1.00 0.42 O ATOM 2145 CB LYS A 137 26.730 9.312 -1.200 1.00 0.44 C ATOM 2146 CG LYS A 137 27.877 8.493 -1.867 1.00 0.99 C ATOM 2147 CD LYS A 137 29.281 8.759 -1.257 1.00 1.59 C ATOM 2148 CE LYS A 137 29.414 8.311 0.209 1.00 2.70 C ATOM 2149 NZ LYS A 137 30.821 8.413 0.684 1.00 3.55 N ATOM 0 H LYS A 137 25.214 6.499 -0.548 1.00 0.33 H new ATOM 0 HA LYS A 137 26.451 7.977 0.507 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.099 9.729 -1.985 1.00 0.44 H new ATOM 0 HB3 LYS A 137 27.170 10.153 -0.663 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.649 7.431 -1.779 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.905 8.726 -2.931 1.00 0.99 H new ATOM 0 HD2 LYS A 137 30.031 8.242 -1.855 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.500 9.825 -1.323 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.771 8.926 0.838 1.00 2.70 H new ATOM 0 HE3 LYS A 137 29.069 7.282 0.309 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 30.876 8.104 1.675 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 31.430 7.807 0.098 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 31.141 9.400 0.611 1.00 3.55 H new ATOM 2163 N GLY A 138 23.656 9.106 0.825 1.00 0.35 N ATOM 2164 CA GLY A 138 22.666 9.930 1.526 1.00 0.36 C ATOM 2165 C GLY A 138 21.730 10.733 0.594 1.00 0.33 C ATOM 2166 O GLY A 138 21.078 11.672 1.057 1.00 0.37 O ATOM 0 H GLY A 138 23.292 8.204 0.518 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.060 9.285 2.162 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.189 10.625 2.183 1.00 0.36 H new ATOM 2170 N LYS A 139 21.664 10.371 -0.721 1.00 0.29 N ATOM 2171 CA LYS A 139 20.800 11.089 -1.677 1.00 0.29 C ATOM 2172 C LYS A 139 19.833 10.148 -2.418 1.00 0.26 C ATOM 2173 O LYS A 139 20.196 9.035 -2.805 1.00 0.25 O ATOM 2174 CB LYS A 139 21.636 11.883 -2.691 1.00 0.33 C ATOM 2175 CG LYS A 139 22.643 12.872 -2.058 1.00 0.65 C ATOM 2176 CD LYS A 139 23.674 13.437 -3.070 1.00 0.67 C ATOM 2177 CE LYS A 139 23.042 14.309 -4.170 1.00 1.00 C ATOM 2178 NZ LYS A 139 24.081 15.041 -4.947 1.00 1.56 N ATOM 0 H LYS A 139 22.193 9.599 -1.127 1.00 0.29 H new ATOM 0 HA LYS A 139 20.201 11.783 -1.087 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.183 11.181 -3.321 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.962 12.438 -3.343 1.00 0.33 H new ATOM 0 HG2 LYS A 139 22.094 13.700 -1.610 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.176 12.369 -1.251 1.00 0.65 H new ATOM 0 HD2 LYS A 139 24.415 14.027 -2.530 1.00 0.67 H new ATOM 0 HD3 LYS A 139 24.206 12.607 -3.536 1.00 0.67 H new ATOM 0 HE2 LYS A 139 22.457 13.682 -4.843 1.00 1.00 H new ATOM 0 HE3 LYS A 139 22.352 15.023 -3.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 23.623 15.619 -5.680 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 24.622 15.657 -4.308 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.724 14.358 -5.396 1.00 1.56 H new ATOM 2192 N LEU A 140 18.616 10.656 -2.691 1.00 0.25 N ATOM 2193 CA LEU A 140 17.532 9.866 -3.314 1.00 0.24 C ATOM 2194 C LEU A 140 17.396 10.045 -4.847 1.00 0.26 C ATOM 2195 O LEU A 140 17.658 11.113 -5.407 1.00 0.34 O ATOM 2196 CB LEU A 140 16.206 10.259 -2.624 1.00 0.24 C ATOM 2197 CG LEU A 140 15.092 9.177 -2.509 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.498 9.137 -1.106 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.975 9.419 -3.512 1.00 0.25 C ATOM 0 H LEU A 140 18.355 11.621 -2.488 1.00 0.25 H new ATOM 0 HA LEU A 140 17.780 8.814 -3.172 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.443 10.603 -1.617 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.790 11.111 -3.162 1.00 0.24 H new ATOM 0 HG LEU A 140 15.565 8.219 -2.725 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.724 8.371 -1.060 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.282 8.904 -0.386 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.063 10.107 -0.867 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.215 8.645 -3.404 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.527 10.396 -3.329 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.381 9.390 -4.523 1.00 0.25 H new ATOM 2211 N SER A 141 16.959 8.950 -5.494 1.00 0.21 N ATOM 2212 CA SER A 141 16.731 8.898 -6.943 1.00 0.22 C ATOM 2213 C SER A 141 15.429 8.124 -7.251 1.00 0.19 C ATOM 2214 O SER A 141 15.337 6.911 -7.002 1.00 0.16 O ATOM 2215 CB SER A 141 17.923 8.223 -7.643 1.00 0.25 C ATOM 2216 OG SER A 141 18.172 8.791 -8.921 1.00 0.64 O ATOM 0 H SER A 141 16.753 8.071 -5.019 1.00 0.21 H new ATOM 0 HA SER A 141 16.632 9.917 -7.318 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.813 8.321 -7.022 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.725 7.157 -7.751 1.00 0.25 H new ATOM 0 HG SER A 141 18.936 8.340 -9.336 1.00 0.64 H new ATOM 2222 N VAL A 142 14.430 8.843 -7.796 1.00 0.21 N ATOM 2223 CA VAL A 142 13.119 8.255 -8.145 1.00 0.22 C ATOM 2224 C VAL A 142 12.810 8.450 -9.688 1.00 0.25 C ATOM 2225 O VAL A 142 12.347 9.510 -10.119 1.00 0.26 O ATOM 2226 CB VAL A 142 11.952 8.751 -7.109 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.550 10.259 -7.173 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.677 7.873 -7.187 1.00 0.41 C ATOM 0 H VAL A 142 14.505 9.838 -8.006 1.00 0.21 H new ATOM 0 HA VAL A 142 13.146 7.174 -8.008 1.00 0.22 H new ATOM 0 HB VAL A 142 12.442 8.623 -6.144 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.770 10.459 -6.439 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.421 10.877 -6.955 1.00 0.46 H new ATOM 0 HG13 VAL A 142 11.179 10.495 -8.170 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.935 8.245 -6.480 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.268 7.914 -8.197 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.929 6.842 -6.939 1.00 0.41 H new ATOM 2238 N GLN A 143 13.127 7.389 -10.500 1.00 0.31 N ATOM 2239 CA GLN A 143 12.913 7.331 -11.997 1.00 0.39 C ATOM 2240 C GLN A 143 13.831 8.300 -12.800 1.00 0.41 C ATOM 2241 O GLN A 143 14.886 7.899 -13.298 1.00 0.46 O ATOM 2242 CB GLN A 143 11.416 7.551 -12.369 1.00 0.44 C ATOM 2243 CG GLN A 143 10.445 6.516 -11.789 1.00 0.65 C ATOM 2244 CD GLN A 143 10.525 5.166 -12.483 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.843 4.926 -13.480 1.00 1.56 O ATOM 2246 NE2 GLN A 143 11.356 4.275 -11.953 1.00 1.12 N ATOM 0 H GLN A 143 13.545 6.535 -10.132 1.00 0.31 H new ATOM 0 HA GLN A 143 13.202 6.323 -12.293 1.00 0.39 H new ATOM 0 HB2 GLN A 143 11.114 8.541 -12.028 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.323 7.546 -13.455 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.655 6.385 -10.728 1.00 0.65 H new ATOM 0 HG3 GLN A 143 9.427 6.898 -11.868 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.902 4.516 -11.126 1.00 1.12 H new ATOM 0 HE22 GLN A 143 11.448 3.350 -12.373 1.00 1.12 H new ATOM 2255 N GLY A 144 13.394 9.571 -12.908 1.00 0.40 N ATOM 2256 CA GLY A 144 14.161 10.615 -13.590 1.00 0.45 C ATOM 2257 C GLY A 144 14.279 11.915 -12.768 1.00 0.42 C ATOM 2258 O GLY A 144 14.433 12.998 -13.339 1.00 0.49 O ATOM 0 H GLY A 144 12.505 9.894 -12.526 1.00 0.40 H new ATOM 0 HA2 GLY A 144 15.160 10.239 -13.809 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.688 10.839 -14.546 1.00 0.45 H new ATOM 2262 N GLU A 145 14.204 11.792 -11.418 1.00 0.33 N ATOM 2263 CA GLU A 145 14.309 12.930 -10.491 1.00 0.32 C ATOM 2264 C GLU A 145 15.336 12.626 -9.384 1.00 0.27 C ATOM 2265 O GLU A 145 15.206 11.638 -8.653 1.00 0.36 O ATOM 2266 CB GLU A 145 12.923 13.236 -9.868 1.00 0.37 C ATOM 2267 CG GLU A 145 12.771 14.651 -9.273 1.00 0.80 C ATOM 2268 CD GLU A 145 12.574 15.721 -10.335 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.409 15.988 -10.701 1.00 1.53 O ATOM 2270 OE2 GLU A 145 13.584 16.289 -10.800 1.00 1.82 O ATOM 0 H GLU A 145 14.069 10.896 -10.949 1.00 0.33 H new ATOM 0 HA GLU A 145 14.647 13.805 -11.046 1.00 0.32 H new ATOM 0 HB2 GLU A 145 12.159 13.096 -10.633 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.725 12.506 -9.083 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.922 14.663 -8.590 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.657 14.889 -8.684 1.00 0.80 H new ATOM 2277 N VAL A 146 16.344 13.499 -9.254 1.00 0.30 N ATOM 2278 CA VAL A 146 17.415 13.319 -8.251 1.00 0.27 C ATOM 2279 C VAL A 146 17.445 14.514 -7.213 1.00 0.28 C ATOM 2280 O VAL A 146 17.438 15.695 -7.586 1.00 0.32 O ATOM 2281 CB VAL A 146 18.827 12.967 -8.982 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.571 14.153 -9.678 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.811 12.210 -8.053 1.00 0.72 C ATOM 0 H VAL A 146 16.445 14.337 -9.827 1.00 0.30 H new ATOM 0 HA VAL A 146 17.202 12.449 -7.630 1.00 0.27 H new ATOM 0 HB VAL A 146 18.500 12.314 -9.791 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.496 13.789 -10.126 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.934 14.577 -10.454 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.803 14.920 -8.940 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.734 12.002 -8.593 1.00 0.72 H new ATOM 0 HG22 VAL A 146 20.032 12.824 -7.180 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.359 11.271 -7.732 1.00 0.72 H new ATOM 2293 N SER A 147 17.467 14.149 -5.922 1.00 0.27 N ATOM 2294 CA SER A 147 17.503 15.112 -4.808 1.00 0.29 C ATOM 2295 C SER A 147 18.213 14.490 -3.582 1.00 0.29 C ATOM 2296 O SER A 147 18.801 13.406 -3.674 1.00 0.30 O ATOM 2297 CB SER A 147 16.064 15.599 -4.442 1.00 0.31 C ATOM 2298 OG SER A 147 15.164 14.524 -4.170 1.00 0.56 O ATOM 0 H SER A 147 17.460 13.175 -5.619 1.00 0.27 H new ATOM 0 HA SER A 147 18.074 15.985 -5.125 1.00 0.29 H new ATOM 0 HB2 SER A 147 16.118 16.250 -3.570 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.669 16.198 -5.263 1.00 0.31 H new ATOM 0 HG SER A 147 14.825 14.605 -3.254 1.00 0.56 H new ATOM 2304 N THR A 148 18.203 15.196 -2.441 1.00 0.30 N ATOM 2305 CA THR A 148 18.838 14.675 -1.213 1.00 0.31 C ATOM 2306 C THR A 148 17.807 14.140 -0.145 1.00 0.27 C ATOM 2307 O THR A 148 16.761 14.754 0.103 1.00 0.32 O ATOM 2308 CB THR A 148 19.958 15.669 -0.626 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.665 15.062 0.471 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.459 17.067 -0.174 1.00 0.99 C ATOM 0 H THR A 148 17.771 16.114 -2.339 1.00 0.30 H new ATOM 0 HA THR A 148 19.386 13.781 -1.511 1.00 0.31 H new ATOM 0 HB THR A 148 20.612 15.841 -1.481 1.00 0.44 H new ATOM 0 HG1 THR A 148 21.341 15.685 0.809 1.00 1.25 H new ATOM 0 HG21 THR A 148 20.300 17.649 0.203 1.00 0.99 H new ATOM 0 HG22 THR A 148 19.010 17.585 -1.022 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.716 16.951 0.615 1.00 0.99 H new ATOM 2318 N PHE A 149 18.159 12.983 0.472 1.00 0.26 N ATOM 2319 CA PHE A 149 17.355 12.317 1.544 1.00 0.24 C ATOM 2320 C PHE A 149 17.676 12.915 2.939 1.00 0.24 C ATOM 2321 O PHE A 149 18.843 12.960 3.349 1.00 0.29 O ATOM 2322 CB PHE A 149 17.650 10.781 1.551 1.00 0.23 C ATOM 2323 CG PHE A 149 17.017 10.005 2.724 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.648 9.724 2.747 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.783 9.610 3.829 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.071 9.085 3.825 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.203 8.959 4.902 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.847 8.702 4.901 1.00 0.25 C ATOM 0 H PHE A 149 19.015 12.478 0.242 1.00 0.26 H new ATOM 0 HA PHE A 149 16.300 12.488 1.332 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.292 10.352 0.615 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.730 10.633 1.577 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.032 10.012 1.908 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.843 9.817 3.843 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.010 8.884 3.827 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.811 8.652 5.740 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.392 8.201 5.743 1.00 0.25 H new ATOM 2338 N THR A 150 16.630 13.356 3.661 1.00 0.25 N ATOM 2339 CA THR A 150 16.839 13.946 5.006 1.00 0.30 C ATOM 2340 C THR A 150 15.923 13.332 6.090 1.00 0.40 C ATOM 2341 O THR A 150 14.796 13.791 6.307 1.00 1.15 O ATOM 2342 CB THR A 150 16.676 15.520 5.037 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.730 15.981 4.051 1.00 1.42 O ATOM 2344 CG2 THR A 150 18.017 16.260 4.831 1.00 1.18 C ATOM 0 H THR A 150 15.658 13.320 3.353 1.00 0.25 H new ATOM 0 HA THR A 150 17.875 13.699 5.237 1.00 0.30 H new ATOM 0 HB THR A 150 16.301 15.753 6.034 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.655 16.957 4.101 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.847 17.336 4.861 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.712 15.980 5.622 1.00 1.18 H new ATOM 0 HG23 THR A 150 18.439 15.986 3.864 1.00 1.18 H new ATOM 2352 N GLY A 151 16.446 12.275 6.764 1.00 0.32 N ATOM 2353 CA GLY A 151 15.761 11.601 7.895 1.00 0.18 C ATOM 2354 C GLY A 151 14.637 10.591 7.598 1.00 0.20 C ATOM 2355 O GLY A 151 14.787 9.405 7.901 1.00 0.42 O ATOM 0 H GLY A 151 17.353 11.868 6.538 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.522 11.083 8.478 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.343 12.378 8.536 1.00 0.18 H new ATOM 2359 N LYS A 152 13.520 11.060 7.016 1.00 0.16 N ATOM 2360 CA LYS A 152 12.350 10.197 6.763 1.00 0.13 C ATOM 2361 C LYS A 152 11.739 10.384 5.351 1.00 0.13 C ATOM 2362 O LYS A 152 11.929 11.406 4.688 1.00 0.16 O ATOM 2363 CB LYS A 152 11.303 10.457 7.926 1.00 0.22 C ATOM 2364 CG LYS A 152 9.782 10.317 7.592 1.00 0.41 C ATOM 2365 CD LYS A 152 9.024 11.676 7.529 1.00 0.56 C ATOM 2366 CE LYS A 152 9.568 12.644 6.463 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.588 13.716 6.139 1.00 1.10 N ATOM 0 H LYS A 152 13.401 12.027 6.713 1.00 0.16 H new ATOM 0 HA LYS A 152 12.664 9.153 6.771 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.531 9.768 8.740 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.470 11.465 8.306 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.675 9.808 6.634 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.311 9.684 8.344 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.970 11.484 7.328 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.079 12.158 8.505 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.495 13.094 6.820 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.811 12.088 5.558 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.906 14.233 5.295 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.657 13.291 5.954 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.515 14.374 6.941 1.00 1.10 H new ATOM 2381 N LEU A 153 10.986 9.342 4.937 1.00 0.12 N ATOM 2382 CA LEU A 153 10.243 9.295 3.647 1.00 0.13 C ATOM 2383 C LEU A 153 8.734 9.490 3.905 1.00 0.13 C ATOM 2384 O LEU A 153 8.208 8.983 4.905 1.00 0.18 O ATOM 2385 CB LEU A 153 10.472 7.932 2.952 1.00 0.15 C ATOM 2386 CG LEU A 153 10.313 7.854 1.401 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.525 7.185 0.756 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.050 7.085 1.000 1.00 0.67 C ATOM 0 H LEU A 153 10.872 8.495 5.493 1.00 0.12 H new ATOM 0 HA LEU A 153 10.609 10.094 3.002 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.480 7.598 3.200 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.781 7.214 3.393 1.00 0.15 H new ATOM 0 HG LEU A 153 10.231 8.881 1.044 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.386 7.145 -0.324 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.423 7.759 0.985 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.632 6.173 1.146 1.00 0.43 H new ATOM 0 HD21 LEU A 153 8.974 7.052 -0.087 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.103 6.069 1.391 1.00 0.67 H new ATOM 0 HD23 LEU A 153 8.173 7.586 1.410 1.00 0.67 H new ATOM 2400 N SER A 154 8.020 10.209 3.016 1.00 0.14 N ATOM 2401 CA SER A 154 6.589 10.425 3.258 1.00 0.16 C ATOM 2402 C SER A 154 5.684 9.971 2.103 1.00 0.19 C ATOM 2403 O SER A 154 5.833 10.402 0.965 1.00 0.36 O ATOM 2404 CB SER A 154 6.330 11.920 3.531 1.00 0.21 C ATOM 2405 OG SER A 154 5.154 12.136 4.309 1.00 0.24 O ATOM 0 H SER A 154 8.392 10.630 2.165 1.00 0.14 H new ATOM 0 HA SER A 154 6.335 9.810 4.121 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.189 12.346 4.050 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.237 12.449 2.582 1.00 0.21 H new ATOM 0 HG SER A 154 4.918 11.311 4.782 1.00 0.24 H new ATOM 2411 N VAL A 155 4.687 9.138 2.437 1.00 0.16 N ATOM 2412 CA VAL A 155 3.686 8.673 1.437 1.00 0.19 C ATOM 2413 C VAL A 155 2.373 9.433 1.766 1.00 0.25 C ATOM 2414 O VAL A 155 1.599 9.028 2.639 1.00 0.30 O ATOM 2415 CB VAL A 155 3.471 7.074 1.383 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.612 6.602 0.171 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.798 6.298 1.301 1.00 0.74 C ATOM 0 H VAL A 155 4.544 8.770 3.378 1.00 0.16 H new ATOM 0 HA VAL A 155 4.048 8.896 0.433 1.00 0.19 H new ATOM 0 HB VAL A 155 2.951 6.859 2.317 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.509 5.517 0.199 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.625 7.062 0.223 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.101 6.896 -0.758 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.592 5.228 1.267 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.337 6.593 0.400 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.406 6.523 2.177 1.00 0.74 H new ATOM 2427 N GLU A 156 2.153 10.533 1.025 1.00 0.28 N ATOM 2428 CA GLU A 156 0.998 11.404 1.245 1.00 0.36 C ATOM 2429 C GLU A 156 -0.114 11.173 0.224 1.00 0.34 C ATOM 2430 O GLU A 156 0.089 11.285 -0.992 1.00 0.38 O ATOM 2431 CB GLU A 156 1.443 12.882 1.212 1.00 0.53 C ATOM 2432 CG GLU A 156 0.761 13.788 2.251 1.00 0.73 C ATOM 2433 CD GLU A 156 1.136 15.247 2.080 1.00 1.26 C ATOM 2434 OE1 GLU A 156 2.195 15.655 2.605 1.00 1.66 O ATOM 2435 OE2 GLU A 156 0.372 15.985 1.422 1.00 1.67 O ATOM 0 H GLU A 156 2.765 10.836 0.268 1.00 0.28 H new ATOM 0 HA GLU A 156 0.590 11.158 2.225 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.521 12.925 1.366 1.00 0.53 H new ATOM 0 HB3 GLU A 156 1.247 13.283 0.218 1.00 0.53 H new ATOM 0 HG2 GLU A 156 -0.321 13.681 2.168 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.038 13.460 3.253 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.299 10.847 0.758 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.485 10.607 -0.059 1.00 0.40 C ATOM 2444 C PHE A 157 -3.465 11.784 0.088 1.00 0.41 C ATOM 2445 O PHE A 157 -3.971 12.088 1.189 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.128 9.252 0.315 1.00 0.51 C ATOM 2447 CG PHE A 157 -4.127 8.705 -0.706 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -5.291 9.403 -1.003 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -3.897 7.505 -1.374 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -6.187 8.928 -1.933 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -4.798 7.026 -2.308 1.00 1.55 C ATOM 2452 CZ PHE A 157 -5.938 7.739 -2.589 1.00 1.80 C ATOM 0 H PHE A 157 -1.457 10.744 1.760 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.203 10.545 -1.110 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -2.335 8.517 0.454 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -3.634 9.360 1.274 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -5.496 10.334 -0.495 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -3.002 6.940 -1.160 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -7.086 9.486 -2.150 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -4.605 6.092 -2.816 1.00 1.55 H new ATOM 0 HZ PHE A 157 -6.639 7.370 -3.323 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.715 12.424 -1.069 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.609 13.609 -1.170 1.00 0.46 C ATOM 2464 C VAL A 158 -5.982 13.182 -1.797 1.00 0.48 C ATOM 2465 O VAL A 158 -6.048 12.431 -2.792 1.00 0.47 O ATOM 2466 CB VAL A 158 -3.957 14.866 -1.965 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.615 16.226 -1.598 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.434 15.043 -1.731 1.00 0.58 C ATOM 0 H VAL A 158 -3.308 12.142 -1.961 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.766 13.973 -0.155 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.144 14.610 -3.008 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.136 17.026 -2.162 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.677 16.195 -1.844 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.495 16.412 -0.531 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.077 15.903 -2.297 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.245 15.203 -0.669 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -1.908 14.147 -2.062 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.052 13.741 -1.170 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.506 13.521 -1.472 1.00 0.56 C ATOM 2480 C LYS A 159 -8.983 13.862 -2.920 1.00 0.66 C ATOM 2481 O LYS A 159 -8.432 14.746 -3.589 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.338 14.385 -0.488 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.062 15.911 -0.577 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.001 16.743 0.322 1.00 1.48 C ATOM 2485 CE LYS A 159 -9.734 18.254 0.197 1.00 1.63 C ATOM 2486 NZ LYS A 159 -8.344 18.603 0.602 1.00 2.18 N ATOM 0 H LYS A 159 -6.924 14.394 -0.397 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.654 12.446 -1.365 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.397 14.209 -0.676 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.135 14.051 0.530 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.028 16.106 -0.293 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.175 16.236 -1.611 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.037 16.535 0.054 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -9.873 16.437 1.360 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -9.903 18.569 -0.833 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -10.443 18.801 0.819 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -8.251 19.637 0.668 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -8.135 18.177 1.527 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -7.675 18.240 -0.106 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.033 13.145 -3.361 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.627 13.358 -4.689 1.00 0.93 C ATOM 2502 C GLY A 160 -12.020 14.007 -4.637 1.00 0.96 C ATOM 2503 O GLY A 160 -12.203 15.115 -5.149 1.00 1.02 O ATOM 0 H GLY A 160 -10.486 12.413 -2.814 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.962 13.988 -5.279 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.699 12.400 -5.205 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.996 13.308 -4.019 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.378 13.825 -3.892 1.00 1.02 C ATOM 2509 C TYR A 161 -14.965 13.627 -2.470 1.00 1.05 C ATOM 2510 O TYR A 161 -15.126 14.604 -1.734 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.300 13.181 -4.948 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.384 13.961 -6.269 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.477 13.728 -7.309 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.365 14.940 -6.472 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.549 14.439 -8.496 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.436 15.648 -7.661 1.00 2.26 C ATOM 2517 CZ TYR A 161 -15.528 15.393 -8.664 1.00 2.29 C ATOM 2518 OH TYR A 161 -15.599 16.098 -9.844 1.00 2.86 O ATOM 0 H TYR A 161 -12.855 12.388 -3.602 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.326 14.899 -4.068 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.945 12.172 -5.157 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.302 13.087 -4.530 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.707 12.981 -7.184 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.079 15.147 -5.688 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -13.840 14.246 -9.287 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -17.201 16.397 -7.800 1.00 2.26 H new ATOM 0 HH TYR A 161 -16.346 16.731 -9.802 1.00 2.86 H new ATOM 2528 N TYR A 162 -15.284 12.366 -2.090 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.861 12.048 -0.754 1.00 1.17 C ATOM 2530 C TYR A 162 -14.879 11.237 0.125 1.00 1.10 C ATOM 2531 O TYR A 162 -14.506 11.679 1.214 1.00 1.71 O ATOM 2532 CB TYR A 162 -17.187 11.279 -0.908 1.00 1.54 C ATOM 2533 CG TYR A 162 -18.326 12.103 -1.526 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -19.067 13.016 -0.764 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.661 11.964 -2.877 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -20.095 13.753 -1.330 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -19.688 12.704 -3.441 1.00 3.18 C ATOM 2538 CZ TYR A 162 -20.398 13.616 -2.635 1.00 3.16 C ATOM 2539 OH TYR A 162 -21.418 14.327 -3.225 1.00 3.91 O ATOM 0 H TYR A 162 -15.153 11.550 -2.688 1.00 1.09 H new ATOM 0 HA TYR A 162 -16.050 12.997 -0.252 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -17.013 10.399 -1.527 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -17.503 10.922 0.072 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -18.833 13.148 0.282 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.110 11.268 -3.491 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -20.658 14.443 -0.719 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.941 12.583 -4.484 1.00 3.18 H new ATOM 0 HH TYR A 162 -21.477 14.088 -4.174 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.468 10.042 -0.368 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.491 9.155 0.323 1.00 0.99 C ATOM 2551 C ASP A 163 -12.069 9.383 -0.235 1.00 1.06 C ATOM 2552 O ASP A 163 -11.909 9.845 -1.369 1.00 1.74 O ATOM 2553 CB ASP A 163 -13.887 7.676 0.153 1.00 1.11 C ATOM 2554 CG ASP A 163 -14.820 7.176 1.253 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.436 7.252 2.437 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -15.932 6.710 0.928 1.00 1.34 O ATOM 0 H ASP A 163 -14.802 9.664 -1.254 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.500 9.401 1.385 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.372 7.545 -0.814 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -12.985 7.063 0.143 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.030 9.059 0.560 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.634 9.274 0.114 1.00 0.83 C ATOM 2563 C ASN A 164 -9.014 7.939 -0.461 1.00 1.01 C ATOM 2564 O ASN A 164 -9.233 7.698 -1.650 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.795 9.989 1.216 1.00 1.02 C ATOM 2566 CG ASN A 164 -9.133 11.454 1.475 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -10.196 11.950 1.101 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -8.219 12.133 2.160 1.00 0.82 N ATOM 0 H ASN A 164 -11.123 8.657 1.493 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.619 9.967 -0.727 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -8.916 9.439 2.149 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -7.742 9.924 0.942 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -8.383 13.111 2.399 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -7.353 11.676 2.447 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.240 7.032 0.276 1.00 0.87 N ATOM 2576 CA PRO A 165 -7.744 5.755 -0.336 1.00 1.06 C ATOM 2577 C PRO A 165 -8.736 4.577 -0.279 1.00 0.93 C ATOM 2578 O PRO A 165 -8.817 3.772 -1.209 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.530 5.408 0.542 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.933 5.884 1.908 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.691 7.179 1.659 1.00 1.41 C ATOM 0 HA PRO A 165 -7.551 5.900 -1.399 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.324 4.338 0.535 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -5.627 5.909 0.193 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -7.560 5.150 2.414 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.062 6.051 2.542 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -8.488 7.319 2.389 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.033 8.045 1.735 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.475 4.509 0.864 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.447 3.443 1.220 1.00 0.47 C ATOM 2591 C LYS A 166 -9.668 2.227 1.811 1.00 0.42 C ATOM 2592 O LYS A 166 -9.559 2.119 3.033 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.388 3.064 0.037 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.780 2.510 0.441 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.786 3.622 0.837 1.00 1.83 C ATOM 2596 CE LYS A 166 -15.176 3.060 1.165 1.00 2.33 C ATOM 2597 NZ LYS A 166 -16.112 4.127 1.606 1.00 3.00 N ATOM 0 H LYS A 166 -9.405 5.224 1.588 1.00 0.54 H new ATOM 0 HA LYS A 166 -11.126 3.820 1.985 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -11.534 3.947 -0.585 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -10.885 2.319 -0.580 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.191 1.936 -0.389 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.661 1.821 1.277 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -13.403 4.165 1.701 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.870 4.340 0.021 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -15.583 2.560 0.286 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.088 2.307 1.948 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -17.088 3.768 1.574 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -15.880 4.412 2.579 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -16.025 4.948 0.974 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.088 1.344 0.944 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.241 0.211 1.428 1.00 0.38 C ATOM 2613 C VAL A 167 -6.776 0.486 0.973 1.00 0.34 C ATOM 2614 O VAL A 167 -6.516 0.652 -0.235 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.738 -1.236 0.905 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.917 -2.432 1.475 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.222 -1.520 1.228 1.00 0.58 C ATOM 0 H VAL A 167 -9.188 1.392 -0.070 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.317 0.166 2.514 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.586 -1.169 -0.172 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.312 -3.367 1.077 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.872 -2.327 1.185 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -7.993 -2.440 2.562 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.494 -2.506 0.851 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.372 -1.490 2.307 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.849 -0.765 0.754 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.832 0.391 1.946 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.403 0.651 1.654 1.00 0.35 C ATOM 2629 C CYS A 168 -3.473 -0.406 2.287 1.00 0.36 C ATOM 2630 O CYS A 168 -3.369 -0.500 3.497 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.054 2.041 2.171 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.526 2.738 1.499 1.00 0.87 S ATOM 0 H CYS A 168 -6.030 0.142 2.915 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.252 0.592 0.576 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.878 2.717 1.940 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.971 1.999 3.257 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.708 3.063 0.253 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.750 -1.162 1.429 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.855 -2.286 1.851 1.00 0.29 C ATOM 2640 C ALA A 169 -0.307 -2.064 1.717 1.00 0.25 C ATOM 2641 O ALA A 169 0.401 -2.839 1.032 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.309 -3.646 1.304 1.00 0.34 C ATOM 0 H ALA A 169 -2.765 -1.016 0.420 1.00 0.29 H new ATOM 0 HA ALA A 169 -1.994 -2.295 2.932 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.622 -4.422 1.643 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.313 -3.867 1.666 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.314 -3.617 0.214 1.00 0.34 H new ATOM 2648 N LEU A 170 0.187 -0.884 2.204 1.00 0.22 N ATOM 2649 CA LEU A 170 1.646 -0.474 2.239 1.00 0.21 C ATOM 2650 C LEU A 170 2.667 -1.595 2.623 1.00 0.19 C ATOM 2651 O LEU A 170 2.451 -2.354 3.572 1.00 0.34 O ATOM 2652 CB LEU A 170 1.811 0.621 3.313 1.00 0.31 C ATOM 2653 CG LEU A 170 2.235 2.064 2.891 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.444 2.097 1.942 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.066 2.841 2.280 1.00 0.70 C ATOM 0 H LEU A 170 -0.425 -0.168 2.595 1.00 0.22 H new ATOM 0 HA LEU A 170 1.871 -0.166 1.218 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.862 0.703 3.843 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.548 0.263 4.032 1.00 0.31 H new ATOM 0 HG LEU A 170 2.543 2.553 3.815 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.682 3.131 1.691 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.302 1.635 2.430 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.206 1.548 1.031 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.400 3.840 1.999 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.704 2.317 1.395 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.260 2.920 3.010 1.00 0.70 H new ATOM 2667 N PHE A 171 3.756 -1.683 1.858 1.00 0.16 N ATOM 2668 CA PHE A 171 4.799 -2.687 2.090 1.00 0.14 C ATOM 2669 C PHE A 171 6.177 -2.175 1.603 1.00 0.14 C ATOM 2670 O PHE A 171 6.461 -2.218 0.402 1.00 0.19 O ATOM 2671 CB PHE A 171 4.388 -4.004 1.349 1.00 0.17 C ATOM 2672 CG PHE A 171 5.418 -5.144 1.287 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.372 -5.287 2.299 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.436 -6.067 0.240 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.301 -6.310 2.260 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.359 -7.082 0.207 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.279 -7.216 1.137 1.00 0.17 C ATOM 0 H PHE A 171 3.941 -1.067 1.066 1.00 0.16 H new ATOM 0 HA PHE A 171 4.894 -2.884 3.158 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.489 -4.391 1.828 1.00 0.17 H new ATOM 0 HB3 PHE A 171 4.117 -3.742 0.326 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.383 -4.589 3.123 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.712 -5.981 -0.557 1.00 0.20 H new ATOM 0 HE1 PHE A 171 8.026 -6.428 3.051 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.329 -7.792 -0.607 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.016 -8.002 1.061 1.00 0.17 H new ATOM 2687 N ILE A 172 7.040 -1.692 2.532 1.00 0.10 N ATOM 2688 CA ILE A 172 8.398 -1.269 2.136 1.00 0.10 C ATOM 2689 C ILE A 172 9.489 -2.245 2.728 1.00 0.08 C ATOM 2690 O ILE A 172 9.608 -2.452 3.974 1.00 0.08 O ATOM 2691 CB ILE A 172 8.730 0.309 2.336 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.842 0.734 1.251 1.00 0.14 C ATOM 2693 CG2 ILE A 172 9.086 0.713 3.816 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.377 2.192 1.227 1.00 0.31 C ATOM 0 H ILE A 172 6.827 -1.590 3.524 1.00 0.10 H new ATOM 0 HA ILE A 172 8.433 -1.363 1.051 1.00 0.10 H new ATOM 0 HB ILE A 172 7.822 0.884 2.154 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.699 0.075 1.388 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.431 0.522 0.264 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.294 1.782 3.861 1.00 0.22 H new ATOM 0 HG22 ILE A 172 8.246 0.479 4.469 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.965 0.158 4.143 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.117 2.295 0.433 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.551 2.880 1.044 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.839 2.426 2.186 1.00 0.31 H new ATOM 2706 N MET A 173 10.270 -2.825 1.812 1.00 0.09 N ATOM 2707 CA MET A 173 11.339 -3.762 2.178 1.00 0.11 C ATOM 2708 C MET A 173 12.726 -3.295 1.662 1.00 0.13 C ATOM 2709 O MET A 173 12.828 -2.377 0.831 1.00 0.21 O ATOM 2710 CB MET A 173 10.984 -5.212 1.748 1.00 0.15 C ATOM 2711 CG MET A 173 10.398 -5.346 0.326 1.00 0.17 C ATOM 2712 SD MET A 173 11.634 -5.189 -0.982 1.00 0.44 S ATOM 2713 CE MET A 173 12.736 -6.554 -0.619 1.00 0.26 C ATOM 0 H MET A 173 10.182 -2.662 0.809 1.00 0.09 H new ATOM 0 HA MET A 173 11.419 -3.769 3.265 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.883 -5.825 1.813 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.267 -5.621 2.460 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.905 -6.314 0.235 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.632 -4.584 0.184 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.265 -6.845 -1.526 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.457 -6.248 0.139 1.00 0.26 H new ATOM 0 HE3 MET A 173 12.157 -7.400 -0.249 1.00 0.26 H new ATOM 2723 N LYS A 174 13.794 -3.959 2.146 1.00 0.12 N ATOM 2724 CA LYS A 174 15.155 -3.541 1.859 1.00 0.19 C ATOM 2725 C LYS A 174 16.047 -4.476 0.986 1.00 0.16 C ATOM 2726 O LYS A 174 16.035 -5.707 1.072 1.00 0.17 O ATOM 2727 CB LYS A 174 15.808 -3.326 3.254 1.00 0.38 C ATOM 2728 CG LYS A 174 17.330 -3.117 3.276 1.00 0.54 C ATOM 2729 CD LYS A 174 17.731 -1.710 2.831 1.00 0.57 C ATOM 2730 CE LYS A 174 19.239 -1.525 2.874 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.943 -2.432 1.924 1.00 1.26 N ATOM 0 H LYS A 174 13.726 -4.787 2.738 1.00 0.12 H new ATOM 0 HA LYS A 174 15.090 -2.655 1.227 1.00 0.19 H new ATOM 0 HB2 LYS A 174 15.338 -2.460 3.720 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.574 -4.189 3.877 1.00 0.38 H new ATOM 0 HG2 LYS A 174 17.704 -3.297 4.284 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.804 -3.850 2.624 1.00 0.54 H new ATOM 0 HD2 LYS A 174 17.369 -1.530 1.819 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.254 -0.972 3.476 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.484 -0.490 2.635 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.598 -1.712 3.886 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.529 -3.106 2.457 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.243 -2.954 1.359 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 20.549 -1.870 1.292 1.00 1.26 H new ATOM 2745 N GLY A 175 16.815 -3.761 0.155 1.00 0.14 N ATOM 2746 CA GLY A 175 17.910 -4.272 -0.684 1.00 0.15 C ATOM 2747 C GLY A 175 17.736 -4.446 -2.206 1.00 0.13 C ATOM 2748 O GLY A 175 18.633 -3.947 -2.903 1.00 0.17 O ATOM 0 H GLY A 175 16.683 -2.756 0.043 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.762 -3.608 -0.535 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.191 -5.246 -0.282 1.00 0.15 H new ATOM 2752 N THR A 176 16.569 -4.938 -2.748 1.00 0.11 N ATOM 2753 CA THR A 176 16.393 -5.148 -4.248 1.00 0.10 C ATOM 2754 C THR A 176 14.983 -5.637 -4.651 1.00 0.10 C ATOM 2755 O THR A 176 14.252 -6.238 -3.855 1.00 0.13 O ATOM 2756 CB THR A 176 17.397 -6.185 -4.911 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.945 -7.120 -3.960 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.549 -5.512 -5.698 1.00 0.15 C ATOM 0 H THR A 176 15.752 -5.193 -2.193 1.00 0.11 H new ATOM 0 HA THR A 176 16.592 -4.142 -4.618 1.00 0.10 H new ATOM 0 HB THR A 176 16.781 -6.734 -5.623 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.554 -7.735 -4.420 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.196 -6.279 -6.124 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.134 -4.902 -6.500 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.129 -4.881 -5.025 1.00 0.15 H new ATOM 2766 N ALA A 177 14.628 -5.373 -5.955 1.00 0.10 N ATOM 2767 CA ALA A 177 13.342 -5.800 -6.599 1.00 0.11 C ATOM 2768 C ALA A 177 13.311 -7.319 -7.032 1.00 0.15 C ATOM 2769 O ALA A 177 12.239 -7.875 -7.319 1.00 0.17 O ATOM 2770 CB ALA A 177 13.054 -4.880 -7.808 1.00 0.15 C ATOM 0 H ALA A 177 15.235 -4.853 -6.589 1.00 0.10 H new ATOM 0 HA ALA A 177 12.560 -5.702 -5.846 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.121 -5.184 -8.282 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.969 -3.848 -7.468 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.869 -4.959 -8.528 1.00 0.15 H new ATOM 2776 N ASP A 178 14.500 -7.993 -7.042 1.00 0.19 N ATOM 2777 CA ASP A 178 14.630 -9.445 -7.377 1.00 0.24 C ATOM 2778 C ASP A 178 14.440 -10.398 -6.141 1.00 0.26 C ATOM 2779 O ASP A 178 14.561 -11.620 -6.274 1.00 0.31 O ATOM 2780 CB ASP A 178 16.002 -9.710 -8.022 1.00 0.31 C ATOM 2781 CG ASP A 178 15.956 -9.711 -9.547 1.00 0.42 C ATOM 2782 OD1 ASP A 178 16.140 -8.630 -10.147 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.737 -10.791 -10.134 1.00 0.55 O ATOM 0 H ASP A 178 15.390 -7.548 -6.819 1.00 0.19 H new ATOM 0 HA ASP A 178 13.823 -9.672 -8.074 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.708 -8.950 -7.686 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.380 -10.672 -7.675 1.00 0.31 H new ATOM 2788 N ASP A 179 14.135 -9.814 -4.953 1.00 0.24 N ATOM 2789 CA ASP A 179 13.906 -10.566 -3.693 1.00 0.31 C ATOM 2790 C ASP A 179 12.402 -10.629 -3.276 1.00 0.32 C ATOM 2791 O ASP A 179 12.059 -11.340 -2.329 1.00 0.44 O ATOM 2792 CB ASP A 179 14.721 -9.937 -2.552 1.00 0.37 C ATOM 2793 CG ASP A 179 16.087 -10.587 -2.357 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.057 -10.134 -3.002 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.181 -11.545 -1.562 1.00 0.60 O ATOM 0 H ASP A 179 14.041 -8.804 -4.843 1.00 0.24 H new ATOM 0 HA ASP A 179 14.231 -11.589 -3.881 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.857 -8.875 -2.755 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.154 -10.014 -1.624 1.00 0.37 H new ATOM 2800 N VAL A 180 11.526 -9.859 -3.977 1.00 0.24 N ATOM 2801 CA VAL A 180 10.044 -9.835 -3.725 1.00 0.29 C ATOM 2802 C VAL A 180 9.260 -10.793 -4.703 1.00 0.50 C ATOM 2803 O VAL A 180 8.848 -10.356 -5.783 1.00 0.95 O ATOM 2804 CB VAL A 180 9.357 -8.374 -3.787 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.229 -7.758 -2.387 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.050 -7.328 -4.712 1.00 0.50 C ATOM 0 H VAL A 180 11.818 -9.237 -4.731 1.00 0.24 H new ATOM 0 HA VAL A 180 9.965 -10.185 -2.696 1.00 0.29 H new ATOM 0 HB VAL A 180 8.383 -8.582 -4.229 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.763 -6.776 -2.463 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.614 -8.404 -1.760 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.219 -7.657 -1.942 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.501 -6.387 -4.673 1.00 0.50 H new ATOM 0 HG22 VAL A 180 11.073 -7.165 -4.374 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.061 -7.699 -5.737 1.00 0.50 H new ATOM 2816 N PRO A 181 9.052 -12.117 -4.353 1.00 0.59 N ATOM 2817 CA PRO A 181 8.316 -13.070 -5.224 1.00 0.75 C ATOM 2818 C PRO A 181 6.802 -13.195 -4.920 1.00 1.31 C ATOM 2819 O PRO A 181 6.362 -12.953 -3.792 1.00 1.80 O ATOM 2820 CB PRO A 181 9.038 -14.390 -4.914 1.00 1.20 C ATOM 2821 CG PRO A 181 9.364 -14.299 -3.440 1.00 1.57 C ATOM 2822 CD PRO A 181 9.567 -12.810 -3.138 1.00 1.05 C ATOM 0 HA PRO A 181 8.329 -12.753 -6.267 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.404 -15.250 -5.129 1.00 1.20 H new ATOM 0 HB3 PRO A 181 9.940 -14.501 -5.515 1.00 1.20 H new ATOM 0 HG2 PRO A 181 8.556 -14.712 -2.836 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.262 -14.870 -3.204 1.00 1.57 H new ATOM 0 HD2 PRO A 181 9.021 -12.507 -2.245 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.618 -12.579 -2.963 1.00 1.05 H new ATOM 2830 N MET A 182 6.029 -13.573 -5.953 1.00 1.54 N ATOM 2831 CA MET A 182 4.570 -13.748 -5.834 1.00 2.26 C ATOM 2832 C MET A 182 4.123 -15.071 -6.477 1.00 2.40 C ATOM 2833 O MET A 182 4.068 -15.193 -7.707 1.00 2.49 O ATOM 2834 CB MET A 182 3.823 -12.568 -6.497 1.00 2.82 C ATOM 2835 CG MET A 182 3.977 -11.220 -5.775 1.00 3.46 C ATOM 2836 SD MET A 182 3.164 -9.871 -6.657 1.00 4.01 S ATOM 2837 CE MET A 182 3.592 -8.468 -5.626 1.00 4.96 C ATOM 0 H MET A 182 6.393 -13.764 -6.886 1.00 1.54 H new ATOM 0 HA MET A 182 4.323 -13.773 -4.773 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.181 -12.459 -7.521 1.00 2.82 H new ATOM 0 HB3 MET A 182 2.763 -12.814 -6.555 1.00 2.82 H new ATOM 0 HG2 MET A 182 3.559 -11.298 -4.771 1.00 3.46 H new ATOM 0 HG3 MET A 182 5.037 -10.990 -5.662 1.00 3.46 H new ATOM 0 HE1 MET A 182 3.158 -7.561 -6.047 1.00 4.96 H new ATOM 0 HE2 MET A 182 3.203 -8.624 -4.620 1.00 4.96 H new ATOM 0 HE3 MET A 182 4.676 -8.365 -5.583 1.00 4.96 H new ATOM 2847 N LEU A 183 3.806 -16.061 -5.623 1.00 2.65 N ATOM 2848 CA LEU A 183 3.366 -17.394 -6.086 1.00 2.86 C ATOM 2849 C LEU A 183 2.059 -17.868 -5.410 1.00 3.61 C ATOM 2850 O LEU A 183 1.566 -17.275 -4.441 1.00 4.00 O ATOM 2851 CB LEU A 183 4.478 -18.446 -5.834 1.00 2.51 C ATOM 2852 CG LEU A 183 5.735 -18.360 -6.747 1.00 2.24 C ATOM 2853 CD1 LEU A 183 6.986 -18.845 -6.013 1.00 2.43 C ATOM 2854 CD2 LEU A 183 5.555 -19.169 -8.037 1.00 2.58 C ATOM 0 H LEU A 183 3.846 -15.965 -4.608 1.00 2.65 H new ATOM 0 HA LEU A 183 3.168 -17.297 -7.154 1.00 2.86 H new ATOM 0 HB2 LEU A 183 4.803 -18.357 -4.797 1.00 2.51 H new ATOM 0 HB3 LEU A 183 4.041 -19.438 -5.948 1.00 2.51 H new ATOM 0 HG LEU A 183 5.860 -17.310 -7.010 1.00 2.24 H new ATOM 0 HD11 LEU A 183 7.848 -18.773 -6.676 1.00 2.43 H new ATOM 0 HD12 LEU A 183 7.154 -18.226 -5.132 1.00 2.43 H new ATOM 0 HD13 LEU A 183 6.849 -19.882 -5.707 1.00 2.43 H new ATOM 0 HD21 LEU A 183 6.454 -19.084 -8.648 1.00 2.58 H new ATOM 0 HD22 LEU A 183 5.383 -20.216 -7.789 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.701 -18.783 -8.593 1.00 2.58 H new ATOM 2866 N GLN A 184 1.521 -18.972 -5.953 1.00 3.87 N ATOM 2867 CA GLN A 184 0.283 -19.610 -5.463 1.00 4.58 C ATOM 2868 C GLN A 184 0.586 -20.990 -4.808 1.00 4.68 C ATOM 2869 O GLN A 184 1.645 -21.579 -5.085 1.00 4.25 O ATOM 2870 CB GLN A 184 -0.676 -19.790 -6.660 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.552 -18.567 -6.970 1.00 5.32 C ATOM 2872 CD GLN A 184 -2.342 -18.735 -8.253 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -1.880 -18.366 -9.334 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -3.542 -19.296 -8.143 1.00 6.27 N ATOM 0 H GLN A 184 1.935 -19.453 -6.752 1.00 3.87 H new ATOM 0 HA GLN A 184 -0.174 -18.977 -4.702 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -0.089 -20.033 -7.545 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -1.324 -20.644 -6.463 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -2.240 -18.397 -6.142 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.921 -17.681 -7.048 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -3.887 -19.587 -7.228 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -4.118 -19.435 -8.973 1.00 6.27 H new ATOM 2883 N PRO A 185 -0.326 -21.558 -3.922 1.00 5.36 N ATOM 2884 CA PRO A 185 -0.099 -22.891 -3.253 1.00 5.62 C ATOM 2885 C PRO A 185 -0.090 -24.107 -4.205 1.00 5.52 C ATOM 2886 O PRO A 185 -1.051 -24.343 -4.946 1.00 5.77 O ATOM 2887 CB PRO A 185 -1.283 -23.021 -2.276 1.00 6.42 C ATOM 2888 CG PRO A 185 -2.344 -22.120 -2.848 1.00 6.59 C ATOM 2889 CD PRO A 185 -1.592 -20.939 -3.435 1.00 5.99 C ATOM 0 HA PRO A 185 0.889 -22.904 -2.792 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -1.631 -24.052 -2.209 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -1.002 -22.714 -1.269 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -2.927 -22.634 -3.612 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -3.044 -21.797 -2.077 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -2.149 -20.468 -4.245 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -1.403 -20.168 -2.688 1.00 5.99 H new ATOM 2897 N HIS A 186 1.018 -24.857 -4.161 1.00 5.25 N ATOM 2898 CA HIS A 186 1.199 -26.028 -5.017 1.00 5.19 C ATOM 2899 C HIS A 186 1.730 -27.262 -4.214 1.00 5.51 C ATOM 2900 O HIS A 186 2.704 -27.131 -3.461 1.00 5.51 O ATOM 2901 CB HIS A 186 2.185 -25.675 -6.169 1.00 4.55 C ATOM 2902 CG HIS A 186 2.428 -26.810 -7.142 1.00 4.63 C ATOM 2903 ND1 HIS A 186 1.406 -27.577 -7.657 1.00 4.77 N ATOM 2904 CD2 HIS A 186 3.578 -27.372 -7.591 1.00 4.82 C ATOM 2905 CE1 HIS A 186 1.910 -28.571 -8.358 1.00 4.89 C ATOM 2906 NE2 HIS A 186 3.226 -28.466 -8.344 1.00 4.96 N ATOM 0 H HIS A 186 1.804 -24.670 -3.538 1.00 5.25 H new ATOM 0 HA HIS A 186 0.227 -26.302 -5.428 1.00 5.19 H new ATOM 0 HB2 HIS A 186 1.795 -24.817 -6.717 1.00 4.55 H new ATOM 0 HB3 HIS A 186 3.138 -25.370 -5.737 1.00 4.55 H new ATOM 0 HD2 HIS A 186 4.581 -27.025 -7.394 1.00 4.82 H new ATOM 0 HE1 HIS A 186 1.343 -29.341 -8.859 1.00 4.89 H new ATOM 0 HE2 HIS A 186 3.876 -29.095 -8.816 1.00 4.96 H new ATOM 2915 N PRO A 187 1.111 -28.497 -4.371 1.00 5.90 N ATOM 2916 CA PRO A 187 1.587 -29.745 -3.688 1.00 6.31 C ATOM 2917 C PRO A 187 2.682 -30.508 -4.493 1.00 6.06 C ATOM 2918 O PRO A 187 3.364 -29.913 -5.334 1.00 5.96 O ATOM 2919 CB PRO A 187 0.286 -30.570 -3.654 1.00 6.77 C ATOM 2920 CG PRO A 187 -0.315 -30.283 -4.992 1.00 6.43 C ATOM 2921 CD PRO A 187 -0.151 -28.778 -5.136 1.00 6.09 C ATOM 0 HA PRO A 187 2.054 -29.549 -2.723 1.00 6.31 H new ATOM 0 HB2 PRO A 187 0.483 -31.633 -3.518 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -0.370 -30.260 -2.840 1.00 6.77 H new ATOM 0 HG2 PRO A 187 0.200 -30.821 -5.788 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -1.363 -30.579 -5.034 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -0.063 -28.480 -6.181 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -1.002 -28.238 -4.721 1.00 6.09 H new ATOM 2929 N GLY A 188 2.832 -31.813 -4.226 1.00 6.19 N ATOM 2930 CA GLY A 188 3.794 -32.614 -4.961 1.00 6.09 C ATOM 2931 C GLY A 188 3.971 -34.026 -4.414 1.00 6.57 C ATOM 2932 O GLY A 188 2.993 -34.750 -4.188 1.00 7.02 O ATOM 0 H GLY A 188 2.304 -32.321 -3.516 1.00 6.19 H new ATOM 0 HA2 GLY A 188 3.480 -32.676 -6.003 1.00 6.09 H new ATOM 0 HA3 GLY A 188 4.759 -32.107 -4.949 1.00 6.09 H new ATOM 2936 N LEU A 189 5.242 -34.417 -4.223 1.00 6.77 N ATOM 2937 CA LEU A 189 5.597 -35.752 -3.703 1.00 7.51 C ATOM 2938 C LEU A 189 6.368 -35.671 -2.372 1.00 7.90 C ATOM 2939 O LEU A 189 7.516 -35.211 -2.329 1.00 7.97 O ATOM 2940 CB LEU A 189 6.440 -36.523 -4.744 1.00 7.96 C ATOM 2941 CG LEU A 189 5.709 -36.951 -6.048 1.00 8.35 C ATOM 2942 CD1 LEU A 189 6.663 -36.948 -7.242 1.00 8.85 C ATOM 2943 CD2 LEU A 189 5.071 -38.336 -5.907 1.00 8.99 C ATOM 0 H LEU A 189 6.048 -33.824 -4.422 1.00 6.77 H new ATOM 0 HA LEU A 189 4.664 -36.283 -3.516 1.00 7.51 H new ATOM 0 HB2 LEU A 189 7.293 -35.903 -5.019 1.00 7.96 H new ATOM 0 HB3 LEU A 189 6.837 -37.418 -4.266 1.00 7.96 H new ATOM 0 HG LEU A 189 4.919 -36.220 -6.222 1.00 8.35 H new ATOM 0 HD11 LEU A 189 6.124 -37.251 -8.139 1.00 8.85 H new ATOM 0 HD12 LEU A 189 7.067 -35.945 -7.383 1.00 8.85 H new ATOM 0 HD13 LEU A 189 7.480 -37.645 -7.057 1.00 8.85 H new ATOM 0 HD21 LEU A 189 4.569 -38.602 -6.837 1.00 8.99 H new ATOM 0 HD22 LEU A 189 5.844 -39.072 -5.689 1.00 8.99 H new ATOM 0 HD23 LEU A 189 4.345 -38.321 -5.094 1.00 8.99 H new ATOM 2955 N GLU A 190 5.715 -36.124 -1.287 1.00 8.45 N ATOM 2956 CA GLU A 190 6.314 -36.124 0.056 1.00 9.15 C ATOM 2957 C GLU A 190 5.803 -37.323 0.875 1.00 10.12 C ATOM 2958 O GLU A 190 4.672 -37.246 1.401 1.00 10.56 O ATOM 2959 CB GLU A 190 6.008 -34.790 0.785 1.00 9.15 C ATOM 2960 CG GLU A 190 6.879 -34.517 2.025 1.00 8.88 C ATOM 2961 CD GLU A 190 6.500 -33.226 2.725 1.00 9.20 C ATOM 2962 OE1 GLU A 190 6.981 -32.155 2.297 1.00 9.58 O ATOM 2963 OE2 GLU A 190 5.724 -33.284 3.703 1.00 9.27 O ATOM 2964 OXT GLU A 190 6.541 -38.325 0.976 1.00 10.60 O ATOM 0 H GLU A 190 4.766 -36.497 -1.317 1.00 8.45 H new ATOM 0 HA GLU A 190 7.395 -36.218 -0.047 1.00 9.15 H new ATOM 0 HB2 GLU A 190 6.137 -33.969 0.080 1.00 9.15 H new ATOM 0 HB3 GLU A 190 4.961 -34.789 1.087 1.00 9.15 H new ATOM 0 HG2 GLU A 190 6.782 -35.348 2.724 1.00 8.88 H new ATOM 0 HG3 GLU A 190 7.926 -34.472 1.727 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -20.225 8.055 3.478 1.00 1.34 C HETATM 2973 C2 GLC A 191 -18.668 7.770 3.464 1.00 1.55 C HETATM 2974 C3 GLC A 191 -18.400 6.197 3.439 1.00 1.62 C HETATM 2975 C4 GLC A 191 -19.233 5.402 4.544 1.00 1.59 C HETATM 2976 C5 GLC A 191 -20.776 5.772 4.431 1.00 1.39 C HETATM 2977 C6 GLC A 191 -21.681 5.207 5.568 1.00 1.49 C HETATM 2978 O2 GLC A 191 -18.085 8.315 2.277 1.00 1.64 O HETATM 2979 O3 GLC A 191 -17.012 5.975 3.674 1.00 1.88 O HETATM 2980 O4 GLC A 191 -19.038 3.994 4.363 1.00 1.73 O HETATM 2981 O5 GLC A 191 -20.828 7.255 4.577 1.00 1.36 O HETATM 2982 O6 GLC A 191 -22.678 6.092 6.061 1.00 1.50 O HETATM 0 HO6 GLC A 191 -22.508 6.997 5.725 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -19.547 3.503 5.042 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -16.900 5.200 4.263 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -17.412 7.694 1.928 1.00 1.64 H new HETATM 0 H62 GLC A 191 -22.171 4.305 5.202 1.00 1.49 H new HETATM 0 H61 GLC A 191 -21.043 4.908 6.400 1.00 1.49 H new HETATM 0 H5 GLC A 191 -21.146 5.355 3.494 1.00 1.39 H new HETATM 0 H4 GLC A 191 -18.885 5.683 5.538 1.00 1.59 H new HETATM 0 H3 GLC A 191 -18.717 5.827 2.464 1.00 1.62 H new HETATM 0 H2 GLC A 191 -18.233 8.222 4.355 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -22.703 10.389 -0.065 1.00 1.56 C HETATM 2995 C3 BGC A 192 -21.530 9.484 0.503 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.974 8.619 1.776 1.00 1.26 C HETATM 2997 C5 BGC A 192 -23.265 7.762 1.370 1.00 1.30 C HETATM 2998 C6 BGC A 192 -23.904 6.938 2.529 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.986 9.513 -0.251 1.00 1.63 C HETATM 3000 O1 BGC A 192 -25.098 10.298 -0.534 1.00 1.86 O HETATM 3001 O2 BGC A 192 -22.323 10.954 -1.320 1.00 1.78 O HETATM 3002 O3 BGC A 192 -20.439 10.326 0.868 1.00 1.54 O HETATM 3003 O4 BGC A 192 -20.855 7.742 2.213 1.00 1.27 O HETATM 3004 O5 BGC A 192 -24.295 8.770 0.990 1.00 1.47 O HETATM 3005 O6 BGC A 192 -25.324 6.965 2.601 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -23.584 5.901 2.431 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -23.505 7.306 3.474 1.00 1.26 H new HETATM 0 HC BGC A 192 -20.304 11.005 0.174 1.00 1.54 H new HETATM 0 HB BGC A 192 -21.728 11.718 -1.168 1.00 1.78 H new HETATM 0 HA BGC A 192 -25.884 9.724 -0.646 1.00 1.86 H new HETATM 0 H6 BGC A 192 -25.663 7.734 2.096 1.00 1.46 H new HETATM 0 H5 BGC A 192 -22.959 7.054 0.600 1.00 1.30 H new HETATM 0 H4 BGC A 192 -22.223 9.269 2.615 1.00 1.26 H new HETATM 0 H3 BGC A 192 -21.246 8.782 -0.281 1.00 1.44 H new HETATM 0 H2 BGC A 192 -22.907 11.196 0.638 1.00 1.56 H new HETATM 0 H1 BGC A 192 -23.779 8.832 -1.077 1.00 1.63 H new