USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 ASN : amide:sc= -5.39! K(o=-14!,f=-7.2) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 139:sc= -8.32! (180deg=-4.74!) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.693 K(o=-1.1,f=-2.4!) USER MOD Set 2.2: A 102 CYS SG : rot -99:sc= -0.439 USER MOD Set 3.1: A 99 THR OG1 : rot 124:sc= 0.124 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.122 USER MOD Set 4.1: A 70 ASN : amide:sc= -0.126 K(o=-0.7,f=-2.1!) USER MOD Set 4.2: A 74 SER OG : rot 20:sc= -0.576 USER MOD Set 5.1: A 49 CYS SG : rot 90:sc= -5.03! USER MOD Set 5.2: A 53 LYS NZ :NH3+ 178:sc= -2.43! (180deg=-2.75!) USER MOD Set 5.3: A 107 GLN : amide:sc= -2.63! C(o=-10!,f=-30!) USER MOD Set 6.1: A 42 ASN : amide:sc= -1.69 K(o=-6.2,f=-5.1!) USER MOD Set 6.2: A 82 ASN : amide:sc= -4.51! C(o=-6.2!,f=-5.1!) USER MOD Set 7.1: A 16 SER OG : rot -63:sc= -0.333 USER MOD Set 7.2: A 19 ASN : amide:sc= -2.12 K(o=-2.5,f=-6.4!) USER MOD Single : A 6 SER OG : rot -154:sc= 0.449 USER MOD Single : A 7 GLN : amide:sc= -3.85! K(o=-3.8!,f=0.027) USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= -0.525 (180deg=-1.15) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.807 (180deg=0.78) USER MOD Single : A 22 ASN : amide:sc= -3.65! K(o=-3.7!,f=-1.9) USER MOD Single : A 23 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-16!) USER MOD Single : A 25 CYS SG : rot -8:sc= -1.57 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.14 (180deg=-0.404) USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -0.13 (180deg=-0.733) USER MOD Single : A 36 SER OG : rot 70:sc= 0.00521 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -40:sc= 0.926 USER MOD Single : A 52 TYR OH : rot -2:sc= 0.155 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.381 (180deg=-0.859) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.418 USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -3.11! (180deg=-4.96!) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0954 (180deg=-0.684) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0467 (180deg=-0.503) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.12 USER MOD Single : A 76 GLN : amide:sc= -0.0329 K(o=-0.033,f=-1.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -64:sc= -0.0959 USER MOD Single : A 87 THR OG1 : rot 130:sc= -0.897! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -44:sc= 0.712 USER MOD Single : A 95 MET CE :methyl -164:sc= -1.84 (180deg=-2.86) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc=-0.00872 (180deg=-0.223) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -131:sc= -1.15 (180deg=-7.3!) USER MOD Single : A 118 SER OG : rot -34:sc= -0.106 USER MOD Single : A 119 TYR OH : rot -140:sc= -3.72! USER MOD Single : A 124 LYS NZ :NH3+ -152:sc= -0.679 (180deg=-2.61!) USER MOD Single : A 125 SER OG : rot -63:sc= -1.06 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -151:sc= -3.97! USER MOD Single : A 133 ASN : amide:sc= -0.729 K(o=-0.73,f=-0.00034) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.315 2.180 -14.503 1.00 17.32 N ATOM 2 CA VAL A 5 -8.775 1.813 -13.122 1.00 16.53 C ATOM 3 C VAL A 5 -10.306 1.848 -13.060 1.00 15.62 C ATOM 4 O VAL A 5 -10.928 2.829 -13.416 1.00 15.21 O ATOM 5 CB VAL A 5 -8.220 2.830 -12.123 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.405 2.298 -10.702 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.734 3.060 -12.396 1.00 17.86 C ATOM 0 HA VAL A 5 -8.421 0.811 -12.879 1.00 16.53 H new ATOM 0 HB VAL A 5 -8.755 3.774 -12.230 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.010 3.021 -9.988 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -9.466 2.139 -10.508 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -7.871 1.354 -10.595 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.341 3.785 -11.683 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -6.195 2.119 -12.291 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -6.605 3.441 -13.409 1.00 17.86 H new ATOM 17 N SER A 6 -10.913 0.789 -12.596 1.00 15.43 N ATOM 18 CA SER A 6 -12.401 0.766 -12.496 1.00 14.66 C ATOM 19 C SER A 6 -12.833 1.556 -11.258 1.00 13.40 C ATOM 20 O SER A 6 -12.121 1.617 -10.279 1.00 12.58 O ATOM 21 CB SER A 6 -12.877 -0.681 -12.369 1.00 15.49 C ATOM 22 OG SER A 6 -12.372 -1.240 -11.164 1.00 15.97 O ATOM 0 H SER A 6 -10.444 -0.060 -12.282 1.00 15.43 H new ATOM 0 HA SER A 6 -12.838 1.215 -13.388 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.966 -0.719 -12.372 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.536 -1.264 -13.224 1.00 15.49 H new ATOM 0 HG SER A 6 -12.306 -2.213 -11.257 1.00 15.97 H new ATOM 28 N GLN A 7 -13.994 2.153 -11.289 1.00 13.37 N ATOM 29 CA GLN A 7 -14.468 2.936 -10.107 1.00 12.23 C ATOM 30 C GLN A 7 -14.764 1.988 -8.946 1.00 11.36 C ATOM 31 O GLN A 7 -14.608 2.328 -7.795 1.00 10.97 O ATOM 32 CB GLN A 7 -15.744 3.698 -10.468 1.00 13.19 C ATOM 33 CG GLN A 7 -15.421 4.831 -11.449 1.00 13.36 C ATOM 34 CD GLN A 7 -14.558 5.890 -10.757 1.00 13.61 C ATOM 35 OE1 GLN A 7 -13.760 6.548 -11.393 1.00 13.82 O ATOM 36 NE2 GLN A 7 -14.682 6.082 -9.472 1.00 13.77 N ATOM 0 H GLN A 7 -14.636 2.133 -12.081 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.691 3.642 -9.815 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.470 3.017 -10.913 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.201 4.106 -9.566 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.897 4.433 -12.318 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.344 5.283 -11.813 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.352 5.530 -8.936 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.109 6.784 -9.004 1.00 13.77 H new ATOM 45 N GLU A 8 -15.205 0.805 -9.229 1.00 13.01 N ATOM 46 CA GLU A 8 -15.515 -0.143 -8.127 1.00 12.24 C ATOM 47 C GLU A 8 -14.244 -0.465 -7.335 1.00 11.73 C ATOM 48 O GLU A 8 -14.285 -0.626 -6.135 1.00 11.71 O ATOM 49 CB GLU A 8 -16.111 -1.425 -8.705 1.00 13.27 C ATOM 50 CG GLU A 8 -17.518 -1.131 -9.230 1.00 13.55 C ATOM 51 CD GLU A 8 -18.129 -2.406 -9.810 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.402 -3.374 -9.953 1.00 14.92 O ATOM 53 OE2 GLU A 8 -19.315 -2.394 -10.094 1.00 15.06 O ATOM 0 H GLU A 8 -15.366 0.449 -10.171 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.239 0.317 -7.454 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.481 -1.803 -9.510 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.150 -2.200 -7.940 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.145 -0.750 -8.424 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.476 -0.356 -9.995 1.00 13.55 H new ATOM 60 N GLU A 9 -13.125 -0.582 -7.995 1.00 11.46 N ATOM 61 CA GLU A 9 -11.862 -0.923 -7.270 1.00 11.12 C ATOM 62 C GLU A 9 -11.338 0.266 -6.440 1.00 10.28 C ATOM 63 O GLU A 9 -10.876 0.079 -5.333 1.00 10.32 O ATOM 64 CB GLU A 9 -10.799 -1.363 -8.295 1.00 12.40 C ATOM 65 CG GLU A 9 -11.008 -2.839 -8.681 1.00 13.24 C ATOM 66 CD GLU A 9 -12.476 -3.102 -9.029 1.00 14.08 C ATOM 67 OE1 GLU A 9 -13.309 -2.977 -8.147 1.00 14.68 O ATOM 68 OE2 GLU A 9 -12.740 -3.435 -10.172 1.00 14.26 O ATOM 0 H GLU A 9 -13.027 -0.457 -9.003 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.073 -1.735 -6.574 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.860 -0.735 -9.184 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.802 -1.227 -7.876 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.376 -3.091 -9.533 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.703 -3.483 -7.856 1.00 13.24 H new ATOM 75 N VAL A 10 -11.388 1.474 -6.934 1.00 9.75 N ATOM 76 CA VAL A 10 -10.866 2.605 -6.106 1.00 9.10 C ATOM 77 C VAL A 10 -11.660 2.680 -4.798 1.00 7.91 C ATOM 78 O VAL A 10 -11.121 2.948 -3.743 1.00 7.70 O ATOM 79 CB VAL A 10 -10.971 3.943 -6.864 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.612 3.737 -8.335 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.393 4.519 -6.754 1.00 11.17 C ATOM 0 H VAL A 10 -11.757 1.726 -7.851 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.813 2.424 -5.890 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.273 4.649 -6.415 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.688 4.687 -8.865 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.592 3.360 -8.411 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.299 3.017 -8.780 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.446 5.463 -7.296 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.105 3.814 -7.183 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.637 4.688 -5.705 1.00 11.17 H new ATOM 91 N LYS A 11 -12.942 2.449 -4.868 1.00 7.38 N ATOM 92 CA LYS A 11 -13.779 2.512 -3.641 1.00 6.32 C ATOM 93 C LYS A 11 -13.248 1.499 -2.631 1.00 5.68 C ATOM 94 O LYS A 11 -13.344 1.692 -1.437 1.00 5.93 O ATOM 95 CB LYS A 11 -15.232 2.185 -3.989 1.00 8.26 C ATOM 96 CG LYS A 11 -15.824 3.333 -4.807 1.00 8.64 C ATOM 97 CD LYS A 11 -17.276 3.015 -5.158 1.00 9.23 C ATOM 98 CE LYS A 11 -17.859 4.165 -5.979 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.107 4.279 -7.261 1.00 10.51 N ATOM 0 H LYS A 11 -13.445 2.219 -5.725 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.737 3.514 -3.215 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.282 1.255 -4.556 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.812 2.035 -3.078 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.771 4.262 -4.240 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.243 3.482 -5.717 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.330 2.085 -5.723 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.859 2.870 -4.249 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.916 3.987 -6.178 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.792 5.098 -5.420 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.777 4.400 -8.047 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.471 5.101 -7.219 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -16.547 3.416 -7.413 1.00 10.51 H new ATOM 113 N LYS A 12 -12.674 0.424 -3.099 1.00 5.08 N ATOM 114 CA LYS A 12 -12.129 -0.594 -2.159 1.00 4.72 C ATOM 115 C LYS A 12 -11.064 0.085 -1.302 1.00 4.34 C ATOM 116 O LYS A 12 -10.888 -0.226 -0.142 1.00 4.65 O ATOM 117 CB LYS A 12 -11.472 -1.733 -2.947 1.00 6.91 C ATOM 118 CG LYS A 12 -12.466 -2.339 -3.942 1.00 7.86 C ATOM 119 CD LYS A 12 -13.515 -3.178 -3.213 1.00 8.86 C ATOM 120 CE LYS A 12 -14.326 -3.993 -4.227 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.271 -3.093 -4.948 1.00 10.82 N ATOM 0 H LYS A 12 -12.560 0.208 -4.089 1.00 5.08 H new ATOM 0 HA LYS A 12 -12.931 -1.001 -1.543 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -10.598 -1.358 -3.480 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.121 -2.503 -2.260 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -12.956 -1.544 -4.505 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -11.934 -2.959 -4.663 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.029 -3.846 -2.501 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.178 -2.530 -2.640 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -13.657 -4.479 -4.937 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.877 -4.783 -3.717 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.773 -3.633 -5.682 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.960 -2.702 -4.274 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.741 -2.316 -5.391 1.00 10.82 H new ATOM 135 N TRP A 13 -10.351 1.015 -1.872 1.00 4.15 N ATOM 136 CA TRP A 13 -9.298 1.725 -1.100 1.00 3.58 C ATOM 137 C TRP A 13 -9.946 2.426 0.097 1.00 2.38 C ATOM 138 O TRP A 13 -9.385 2.499 1.165 1.00 2.83 O ATOM 139 CB TRP A 13 -8.615 2.763 -1.994 1.00 4.70 C ATOM 140 CG TRP A 13 -8.024 2.103 -3.208 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.007 0.768 -3.462 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.366 2.738 -4.343 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.385 0.553 -4.678 1.00 5.86 N ATOM 144 CE2 TRP A 13 -6.970 1.734 -5.258 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.076 4.077 -4.662 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.312 2.047 -6.448 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.413 4.394 -5.858 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.032 3.381 -6.749 1.00 6.26 C ATOM 0 H TRP A 13 -10.453 1.314 -2.842 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.553 1.010 -0.751 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.337 3.520 -2.299 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.833 3.276 -1.434 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.413 0.001 -2.819 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.249 -0.368 -5.096 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.365 4.866 -3.983 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.021 1.263 -7.131 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.195 5.425 -6.093 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.522 3.632 -7.667 1.00 6.26 H new ATOM 159 N ALA A 14 -11.127 2.940 -0.065 1.00 0.01 N ATOM 160 CA ALA A 14 -11.792 3.621 1.079 1.00 0.01 C ATOM 161 C ALA A 14 -12.407 2.565 2.004 1.00 0.01 C ATOM 162 O ALA A 14 -12.942 2.878 3.049 1.00 0.01 O ATOM 163 CB ALA A 14 -12.890 4.550 0.553 1.00 0.00 C ATOM 0 H ALA A 14 -11.661 2.920 -0.934 1.00 0.01 H new ATOM 0 HA ALA A 14 -11.061 4.209 1.633 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.377 5.049 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.449 5.297 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.626 3.967 0.000 1.00 0.00 H new ATOM 169 N GLU A 15 -12.345 1.313 1.619 1.00 0.01 N ATOM 170 CA GLU A 15 -12.937 0.229 2.466 1.00 0.01 C ATOM 171 C GLU A 15 -11.864 -0.430 3.348 1.00 0.01 C ATOM 172 O GLU A 15 -12.154 -0.893 4.434 1.00 0.01 O ATOM 173 CB GLU A 15 -13.558 -0.827 1.549 1.00 0.01 C ATOM 174 CG GLU A 15 -14.788 -0.234 0.858 1.00 0.01 C ATOM 175 CD GLU A 15 -15.401 -1.274 -0.080 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.775 -2.300 -0.286 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.485 -1.024 -0.581 1.00 0.01 O ATOM 0 H GLU A 15 -11.909 0.994 0.754 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.695 0.664 3.118 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.831 -1.153 0.806 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.840 -1.707 2.127 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.521 0.076 1.602 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.508 0.657 0.296 1.00 0.01 H new ATOM 184 N SER A 16 -10.632 -0.489 2.904 1.00 0.01 N ATOM 185 CA SER A 16 -9.576 -1.136 3.747 1.00 0.01 C ATOM 186 C SER A 16 -8.185 -0.928 3.139 1.00 0.00 C ATOM 187 O SER A 16 -8.007 -0.930 1.937 1.00 0.00 O ATOM 188 CB SER A 16 -9.852 -2.637 3.842 1.00 0.01 C ATOM 189 OG SER A 16 -9.939 -3.181 2.532 1.00 0.01 O ATOM 0 H SER A 16 -10.314 -0.123 2.007 1.00 0.01 H new ATOM 0 HA SER A 16 -9.601 -0.680 4.736 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.057 -3.130 4.401 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.781 -2.814 4.385 1.00 0.01 H new ATOM 0 HG SER A 16 -10.696 -2.776 2.059 1.00 0.01 H new ATOM 195 N LEU A 17 -7.198 -0.766 3.984 1.00 0.00 N ATOM 196 CA LEU A 17 -5.794 -0.561 3.514 1.00 0.00 C ATOM 197 C LEU A 17 -5.349 -1.764 2.677 1.00 0.01 C ATOM 198 O LEU A 17 -4.657 -1.619 1.689 1.00 0.00 O ATOM 199 CB LEU A 17 -4.890 -0.428 4.742 1.00 0.01 C ATOM 200 CG LEU A 17 -3.455 -0.042 4.320 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.429 1.404 3.759 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.495 -0.179 5.534 1.00 0.00 C ATOM 0 H LEU A 17 -7.309 -0.767 4.998 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.731 0.338 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.292 0.328 5.417 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.873 -1.369 5.292 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.120 -0.717 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.411 1.662 3.466 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -4.085 1.469 2.891 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.773 2.098 4.526 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.484 0.094 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.825 0.482 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.501 -1.210 5.888 1.00 0.00 H new ATOM 214 N GLU A 18 -5.727 -2.949 3.070 1.00 0.01 N ATOM 215 CA GLU A 18 -5.308 -4.154 2.303 1.00 0.00 C ATOM 216 C GLU A 18 -5.670 -3.980 0.826 1.00 0.00 C ATOM 217 O GLU A 18 -4.918 -4.353 -0.050 1.00 0.01 O ATOM 218 CB GLU A 18 -6.042 -5.383 2.843 1.00 0.01 C ATOM 219 CG GLU A 18 -5.641 -5.623 4.298 1.00 0.01 C ATOM 220 CD GLU A 18 -6.379 -6.852 4.833 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.271 -7.327 4.151 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.039 -7.296 5.918 1.00 0.01 O ATOM 0 H GLU A 18 -6.307 -3.134 3.888 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.231 -4.283 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.120 -5.235 2.772 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.800 -6.258 2.240 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.564 -5.772 4.370 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.883 -4.749 4.902 1.00 0.01 H new ATOM 229 N ASN A 19 -6.816 -3.423 0.543 1.00 0.01 N ATOM 230 CA ASN A 19 -7.228 -3.237 -0.880 1.00 0.00 C ATOM 231 C ASN A 19 -6.260 -2.300 -1.607 1.00 0.00 C ATOM 232 O ASN A 19 -5.885 -2.539 -2.737 1.00 0.01 O ATOM 233 CB ASN A 19 -8.627 -2.626 -0.925 1.00 0.01 C ATOM 234 CG ASN A 19 -9.657 -3.655 -0.456 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.610 -3.313 0.216 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.507 -4.908 -0.784 1.00 0.01 N ATOM 0 H ASN A 19 -7.486 -3.088 1.235 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.220 -4.210 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.668 -1.741 -0.290 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -8.860 -2.301 -1.939 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.189 -5.601 -0.477 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -8.707 -5.195 -1.348 1.00 0.01 H new ATOM 243 N LEU A 20 -5.861 -1.231 -0.978 1.00 0.00 N ATOM 244 CA LEU A 20 -4.932 -0.279 -1.651 1.00 0.01 C ATOM 245 C LEU A 20 -3.628 -0.993 -2.017 1.00 0.01 C ATOM 246 O LEU A 20 -3.086 -0.797 -3.085 1.00 0.00 O ATOM 247 CB LEU A 20 -4.660 0.897 -0.709 1.00 0.00 C ATOM 248 CG LEU A 20 -3.703 1.909 -1.359 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.311 2.462 -2.659 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.465 3.064 -0.377 1.00 0.01 C ATOM 0 H LEU A 20 -6.136 -0.975 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.383 0.095 -2.570 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.599 1.389 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.230 0.530 0.223 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.761 1.414 -1.596 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.622 3.177 -3.108 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.488 1.642 -3.356 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.255 2.959 -2.436 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.787 3.790 -0.826 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.414 3.548 -0.147 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.024 2.676 0.541 1.00 0.01 H new ATOM 262 N ILE A 21 -3.118 -1.826 -1.151 1.00 0.01 N ATOM 263 CA ILE A 21 -1.852 -2.548 -1.481 1.00 0.00 C ATOM 264 C ILE A 21 -2.167 -3.849 -2.234 1.00 0.00 C ATOM 265 O ILE A 21 -1.322 -4.404 -2.906 1.00 0.00 O ATOM 266 CB ILE A 21 -1.086 -2.868 -0.189 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.957 -3.726 0.741 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.730 -1.564 0.525 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.119 -4.275 1.902 1.00 0.01 C ATOM 0 H ILE A 21 -3.517 -2.038 -0.237 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.237 -1.912 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.178 -3.416 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.782 -3.129 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.397 -4.550 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.186 -1.788 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.106 -0.951 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.643 -1.021 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.750 -4.881 2.552 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.309 -4.889 1.508 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.701 -3.446 2.473 1.00 0.01 H new ATOM 281 N ASN A 22 -3.367 -4.361 -2.111 1.00 0.00 N ATOM 282 CA ASN A 22 -3.708 -5.644 -2.806 1.00 0.01 C ATOM 283 C ASN A 22 -4.273 -5.372 -4.200 1.00 0.01 C ATOM 284 O ASN A 22 -4.529 -6.292 -4.952 1.00 0.01 O ATOM 285 CB ASN A 22 -4.753 -6.411 -1.994 1.00 0.01 C ATOM 286 CG ASN A 22 -4.136 -6.905 -0.684 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.840 -7.354 0.201 1.00 0.01 O ATOM 288 ND2 ASN A 22 -2.844 -6.844 -0.515 1.00 0.01 N ATOM 0 H ASN A 22 -4.122 -3.950 -1.563 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.795 -6.233 -2.897 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.607 -5.767 -1.784 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.126 -7.257 -2.572 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.428 -7.172 0.356 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.250 -6.468 -1.254 1.00 0.01 H new ATOM 295 N HIS A 23 -4.470 -4.131 -4.565 1.00 0.01 N ATOM 296 CA HIS A 23 -5.020 -3.841 -5.926 1.00 0.01 C ATOM 297 C HIS A 23 -3.871 -3.573 -6.892 1.00 0.01 C ATOM 298 O HIS A 23 -2.873 -2.971 -6.543 1.00 0.01 O ATOM 299 CB HIS A 23 -5.938 -2.616 -5.882 1.00 0.00 C ATOM 300 CG HIS A 23 -6.703 -2.544 -7.176 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.310 -1.730 -8.229 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.819 -3.210 -7.615 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.176 -1.932 -9.240 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.115 -2.823 -8.918 1.00 0.01 N ATOM 0 H HIS A 23 -4.277 -3.313 -3.987 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.595 -4.703 -6.262 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.626 -2.688 -5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.352 -1.709 -5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.383 -3.927 -7.036 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.117 -1.433 -10.196 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.885 -3.150 -9.502 1.00 0.01 H new ATOM 312 N GLU A 24 -4.002 -4.028 -8.105 1.00 0.01 N ATOM 313 CA GLU A 24 -2.922 -3.820 -9.107 1.00 0.01 C ATOM 314 C GLU A 24 -2.690 -2.321 -9.312 1.00 0.01 C ATOM 315 O GLU A 24 -1.566 -1.870 -9.431 1.00 0.01 O ATOM 316 CB GLU A 24 -3.337 -4.467 -10.429 1.00 0.01 C ATOM 317 CG GLU A 24 -2.218 -4.310 -11.457 1.00 0.01 C ATOM 318 CD GLU A 24 -2.640 -4.972 -12.769 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.654 -5.649 -12.768 1.00 0.01 O ATOM 320 OE2 GLU A 24 -1.942 -4.790 -13.753 1.00 0.00 O ATOM 0 H GLU A 24 -4.816 -4.538 -8.448 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.998 -4.275 -8.752 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.555 -5.524 -10.274 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.251 -4.004 -10.800 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.005 -3.254 -11.621 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.300 -4.766 -11.085 1.00 0.01 H new ATOM 327 N CYS A 25 -3.735 -1.541 -9.345 1.00 0.01 N ATOM 328 CA CYS A 25 -3.555 -0.075 -9.540 1.00 0.01 C ATOM 329 C CYS A 25 -3.236 0.553 -8.193 1.00 0.01 C ATOM 330 O CYS A 25 -2.469 1.492 -8.103 1.00 0.00 O ATOM 331 CB CYS A 25 -4.842 0.541 -10.085 1.00 0.01 C ATOM 332 SG CYS A 25 -4.709 2.346 -10.019 1.00 0.00 S ATOM 0 H CYS A 25 -4.701 -1.853 -9.246 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.746 0.105 -10.248 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.011 0.214 -11.111 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.697 0.205 -9.499 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.634 2.678 -9.367 1.00 0.00 H new ATOM 338 N GLY A 26 -3.796 0.035 -7.138 1.00 0.01 N ATOM 339 CA GLY A 26 -3.490 0.605 -5.805 1.00 0.01 C ATOM 340 C GLY A 26 -1.986 0.483 -5.585 1.00 0.01 C ATOM 341 O GLY A 26 -1.335 1.411 -5.161 1.00 0.01 O ATOM 0 H GLY A 26 -4.446 -0.751 -7.143 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.801 1.648 -5.754 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.035 0.072 -5.026 1.00 0.01 H new ATOM 345 N LEU A 27 -1.423 -0.653 -5.899 1.00 0.01 N ATOM 346 CA LEU A 27 0.048 -0.820 -5.742 1.00 0.00 C ATOM 347 C LEU A 27 0.762 0.213 -6.617 1.00 0.00 C ATOM 348 O LEU A 27 1.631 0.929 -6.169 1.00 0.00 O ATOM 349 CB LEU A 27 0.451 -2.229 -6.184 1.00 0.00 C ATOM 350 CG LEU A 27 0.029 -3.258 -5.122 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.032 -4.659 -5.743 1.00 0.00 C ATOM 352 CD2 LEU A 27 1.004 -3.227 -3.926 1.00 0.01 C ATOM 0 H LEU A 27 -1.918 -1.470 -6.257 1.00 0.01 H new ATOM 0 HA LEU A 27 0.327 -0.676 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.018 -2.467 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.529 -2.276 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.972 -3.010 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.267 -5.390 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.669 -4.689 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.034 -4.896 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.692 -3.961 -3.183 1.00 0.01 H new ATOM 0 HD22 LEU A 27 2.010 -3.465 -4.271 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.999 -2.233 -3.479 1.00 0.01 H new ATOM 364 N ALA A 28 0.392 0.304 -7.867 1.00 0.00 N ATOM 365 CA ALA A 28 1.054 1.296 -8.761 1.00 0.00 C ATOM 366 C ALA A 28 0.827 2.703 -8.209 1.00 0.01 C ATOM 367 O ALA A 28 1.741 3.495 -8.104 1.00 0.00 O ATOM 368 CB ALA A 28 0.465 1.196 -10.169 1.00 0.00 C ATOM 0 H ALA A 28 -0.335 -0.262 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 28 2.123 1.089 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.952 1.923 -10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.628 0.192 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.605 1.402 -10.131 1.00 0.00 H new ATOM 374 N ALA A 29 -0.387 3.014 -7.847 1.00 0.00 N ATOM 375 CA ALA A 29 -0.671 4.366 -7.293 1.00 0.01 C ATOM 376 C ALA A 29 -0.020 4.485 -5.916 1.00 0.00 C ATOM 377 O ALA A 29 0.590 5.485 -5.589 1.00 0.00 O ATOM 378 CB ALA A 29 -2.183 4.558 -7.169 1.00 0.01 C ATOM 0 H ALA A 29 -1.192 2.391 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.267 5.131 -7.956 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.392 5.548 -6.763 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.644 4.464 -8.152 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.593 3.799 -6.503 1.00 0.01 H new ATOM 384 N PHE A 30 -0.133 3.464 -5.110 1.00 0.00 N ATOM 385 CA PHE A 30 0.491 3.506 -3.760 1.00 0.00 C ATOM 386 C PHE A 30 1.996 3.696 -3.930 1.00 0.00 C ATOM 387 O PHE A 30 2.603 4.532 -3.294 1.00 0.00 O ATOM 388 CB PHE A 30 0.204 2.199 -3.015 1.00 0.00 C ATOM 389 CG PHE A 30 0.863 2.242 -1.654 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.480 3.214 -0.719 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.864 1.317 -1.329 1.00 0.00 C ATOM 392 CE1 PHE A 30 1.100 3.262 0.534 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.478 1.363 -0.075 1.00 0.00 C ATOM 394 CZ PHE A 30 2.097 2.337 0.855 1.00 0.00 C ATOM 0 H PHE A 30 -0.632 2.602 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 30 0.078 4.331 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.871 2.058 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.581 1.351 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.294 3.926 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.161 0.568 -2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.808 4.013 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.246 0.647 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.575 2.374 1.823 1.00 0.00 H new ATOM 404 N LYS A 31 2.599 2.946 -4.815 1.00 0.00 N ATOM 405 CA LYS A 31 4.058 3.109 -5.052 1.00 0.00 C ATOM 406 C LYS A 31 4.305 4.540 -5.516 1.00 0.00 C ATOM 407 O LYS A 31 5.263 5.175 -5.121 1.00 0.00 O ATOM 408 CB LYS A 31 4.523 2.120 -6.124 1.00 0.00 C ATOM 409 CG LYS A 31 4.604 0.715 -5.528 1.00 0.00 C ATOM 410 CD LYS A 31 5.068 -0.266 -6.609 1.00 0.00 C ATOM 411 CE LYS A 31 5.157 -1.685 -6.029 1.00 0.01 C ATOM 412 NZ LYS A 31 6.516 -1.898 -5.459 1.00 0.00 N ATOM 0 H LYS A 31 2.143 2.230 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 31 4.616 2.911 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.831 2.129 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.498 2.419 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.298 0.703 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.630 0.415 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.373 -0.250 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.040 0.039 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.400 -1.823 -5.257 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.957 -2.422 -6.807 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.517 -2.760 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.204 -2.002 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.777 -1.082 -4.870 1.00 0.00 H new ATOM 426 N ALA A 32 3.438 5.066 -6.337 1.00 0.00 N ATOM 427 CA ALA A 32 3.621 6.466 -6.798 1.00 0.00 C ATOM 428 C ALA A 32 3.479 7.385 -5.587 1.00 0.01 C ATOM 429 O ALA A 32 4.233 8.320 -5.413 1.00 0.00 O ATOM 430 CB ALA A 32 2.553 6.814 -7.836 1.00 0.00 C ATOM 0 H ALA A 32 2.616 4.588 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 32 4.603 6.588 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.692 7.842 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.641 6.140 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.564 6.708 -7.390 1.00 0.00 H new ATOM 436 N PHE A 33 2.530 7.113 -4.729 1.00 0.00 N ATOM 437 CA PHE A 33 2.378 7.964 -3.521 1.00 0.00 C ATOM 438 C PHE A 33 3.671 7.892 -2.719 1.00 0.00 C ATOM 439 O PHE A 33 4.214 8.892 -2.297 1.00 0.00 O ATOM 440 CB PHE A 33 1.216 7.472 -2.660 1.00 0.00 C ATOM 441 CG PHE A 33 1.119 8.364 -1.450 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.473 9.600 -1.549 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.688 7.965 -0.235 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.398 10.439 -0.432 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.609 8.801 0.882 1.00 0.00 C ATOM 446 CZ PHE A 33 0.965 10.041 0.783 1.00 0.00 C ATOM 0 H PHE A 33 1.863 6.346 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 33 2.170 8.991 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.285 7.497 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.378 6.437 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.033 9.907 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.188 7.011 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.098 11.395 -0.508 1.00 0.01 H new ATOM 0 HE2 PHE A 33 2.044 8.491 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.906 10.690 1.645 1.00 0.00 H new ATOM 456 N LEU A 34 4.183 6.711 -2.523 1.00 0.00 N ATOM 457 CA LEU A 34 5.455 6.574 -1.773 1.00 0.00 C ATOM 458 C LEU A 34 6.533 7.325 -2.547 1.00 0.00 C ATOM 459 O LEU A 34 7.374 7.993 -1.982 1.00 0.00 O ATOM 460 CB LEU A 34 5.833 5.095 -1.659 1.00 0.00 C ATOM 461 CG LEU A 34 4.770 4.341 -0.838 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.052 2.820 -0.883 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.775 4.841 0.623 1.00 0.00 C ATOM 0 H LEU A 34 3.774 5.836 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 34 5.352 6.982 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.916 4.655 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.809 4.996 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 34 3.787 4.531 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.297 2.293 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.020 2.474 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.038 2.620 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.020 4.302 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.757 4.667 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.552 5.908 0.643 1.00 0.00 H new ATOM 475 N LYS A 35 6.499 7.227 -3.848 1.00 0.00 N ATOM 476 CA LYS A 35 7.503 7.941 -4.681 1.00 0.00 C ATOM 477 C LYS A 35 7.382 9.443 -4.408 1.00 0.01 C ATOM 478 O LYS A 35 8.367 10.147 -4.306 1.00 0.00 O ATOM 479 CB LYS A 35 7.233 7.652 -6.161 1.00 0.00 C ATOM 480 CG LYS A 35 8.387 8.186 -7.009 1.00 0.00 C ATOM 481 CD LYS A 35 8.106 7.889 -8.483 1.00 0.00 C ATOM 482 CE LYS A 35 9.259 8.413 -9.337 1.00 0.00 C ATOM 483 NZ LYS A 35 10.523 7.745 -8.919 1.00 0.01 N ATOM 0 H LYS A 35 5.815 6.680 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 35 8.510 7.603 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.120 6.579 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.297 8.119 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.500 9.259 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.324 7.721 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.987 6.816 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.171 8.359 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.063 8.219 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.350 9.493 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.209 7.780 -9.700 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.917 8.234 -8.090 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 10.327 6.753 -8.675 1.00 0.01 H new ATOM 497 N SER A 36 6.179 9.936 -4.271 1.00 0.00 N ATOM 498 CA SER A 36 5.999 11.389 -3.985 1.00 0.00 C ATOM 499 C SER A 36 6.700 11.715 -2.667 1.00 0.00 C ATOM 500 O SER A 36 7.300 12.761 -2.511 1.00 0.00 O ATOM 501 CB SER A 36 4.509 11.719 -3.870 1.00 0.00 C ATOM 502 OG SER A 36 3.902 11.599 -5.150 1.00 0.00 O ATOM 0 H SER A 36 5.316 9.397 -4.345 1.00 0.00 H new ATOM 0 HA SER A 36 6.427 11.980 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.029 11.044 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.377 12.730 -3.485 1.00 0.00 H new ATOM 0 HG SER A 36 3.873 10.655 -5.411 1.00 0.00 H new ATOM 508 N GLU A 37 6.634 10.822 -1.716 1.00 0.00 N ATOM 509 CA GLU A 37 7.300 11.059 -0.400 1.00 0.00 C ATOM 510 C GLU A 37 8.631 10.305 -0.385 1.00 0.00 C ATOM 511 O GLU A 37 9.325 10.260 0.610 1.00 0.00 O ATOM 512 CB GLU A 37 6.403 10.519 0.721 1.00 0.00 C ATOM 513 CG GLU A 37 5.099 11.318 0.768 1.00 0.00 C ATOM 514 CD GLU A 37 4.185 10.740 1.852 1.00 0.01 C ATOM 515 OE1 GLU A 37 4.450 9.635 2.295 1.00 0.00 O ATOM 516 OE2 GLU A 37 3.229 11.407 2.209 1.00 0.00 O ATOM 0 H GLU A 37 6.144 9.931 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 37 7.471 12.125 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.188 9.464 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.919 10.590 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.310 12.367 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.601 11.279 -0.201 1.00 0.00 H new ATOM 523 N TYR A 38 8.986 9.714 -1.495 1.00 0.00 N ATOM 524 CA TYR A 38 10.268 8.957 -1.576 1.00 0.00 C ATOM 525 C TYR A 38 10.337 7.938 -0.443 1.00 0.00 C ATOM 526 O TYR A 38 11.381 7.703 0.134 1.00 0.00 O ATOM 527 CB TYR A 38 11.443 9.928 -1.477 1.00 0.00 C ATOM 528 CG TYR A 38 11.370 10.907 -2.622 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.970 10.593 -3.848 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.697 12.123 -2.462 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.898 11.497 -4.913 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.624 13.027 -3.527 1.00 0.00 C ATOM 533 CZ TYR A 38 11.224 12.714 -4.753 1.00 0.01 C ATOM 534 OH TYR A 38 11.151 13.605 -5.804 1.00 0.00 O ATOM 0 H TYR A 38 8.438 9.724 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 38 10.318 8.431 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.413 10.459 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.386 9.382 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.488 9.653 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.234 12.364 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.362 11.257 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.105 13.966 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 38 10.648 14.398 -5.526 1.00 0.00 H new ATOM 544 N SER A 39 9.228 7.319 -0.133 1.00 0.00 N ATOM 545 CA SER A 39 9.195 6.290 0.950 1.00 0.00 C ATOM 546 C SER A 39 9.091 4.907 0.301 1.00 0.00 C ATOM 547 O SER A 39 8.394 4.033 0.773 1.00 0.00 O ATOM 548 CB SER A 39 7.985 6.545 1.856 1.00 0.00 C ATOM 549 OG SER A 39 8.333 7.519 2.834 1.00 0.00 O ATOM 0 H SER A 39 8.331 7.485 -0.590 1.00 0.00 H new ATOM 0 HA SER A 39 10.100 6.342 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.138 6.892 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.676 5.619 2.341 1.00 0.00 H new ATOM 0 HG SER A 39 7.563 7.688 3.416 1.00 0.00 H new ATOM 555 N GLU A 40 9.779 4.709 -0.792 1.00 0.00 N ATOM 556 CA GLU A 40 9.716 3.393 -1.486 1.00 0.00 C ATOM 557 C GLU A 40 10.238 2.302 -0.550 1.00 0.00 C ATOM 558 O GLU A 40 9.995 1.129 -0.741 1.00 0.00 O ATOM 559 CB GLU A 40 10.564 3.439 -2.766 1.00 0.00 C ATOM 560 CG GLU A 40 12.032 3.762 -2.437 1.00 0.00 C ATOM 561 CD GLU A 40 12.158 5.234 -2.037 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.339 6.021 -2.481 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.070 5.547 -1.290 1.00 0.00 O ATOM 0 H GLU A 40 10.382 5.403 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 40 8.683 3.172 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.505 2.481 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.165 4.192 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.382 3.123 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.663 3.555 -3.301 1.00 0.00 H new ATOM 570 N GLU A 41 10.951 2.686 0.465 1.00 0.00 N ATOM 571 CA GLU A 41 11.484 1.689 1.429 1.00 0.00 C ATOM 572 C GLU A 41 10.313 0.967 2.104 1.00 0.00 C ATOM 573 O GLU A 41 10.381 -0.209 2.402 1.00 0.00 O ATOM 574 CB GLU A 41 12.309 2.424 2.486 1.00 0.00 C ATOM 575 CG GLU A 41 11.409 3.427 3.220 1.00 0.00 C ATOM 576 CD GLU A 41 12.265 4.441 3.982 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.437 4.561 3.664 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.731 5.082 4.871 1.00 0.00 O ATOM 0 H GLU A 41 11.190 3.656 0.671 1.00 0.00 H new ATOM 0 HA GLU A 41 12.109 0.960 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.733 1.712 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.145 2.943 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.769 3.944 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.753 2.900 3.913 1.00 0.00 H new ATOM 585 N ASN A 42 9.242 1.673 2.358 1.00 0.00 N ATOM 586 CA ASN A 42 8.064 1.046 3.025 1.00 0.00 C ATOM 587 C ASN A 42 7.522 -0.113 2.182 1.00 0.00 C ATOM 588 O ASN A 42 7.266 -1.186 2.692 1.00 0.00 O ATOM 589 CB ASN A 42 6.961 2.092 3.195 1.00 0.00 C ATOM 590 CG ASN A 42 7.380 3.118 4.248 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.223 2.846 5.078 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.823 4.299 4.246 1.00 0.00 N ATOM 0 H ASN A 42 9.133 2.661 2.131 1.00 0.00 H new ATOM 0 HA ASN A 42 8.377 0.665 3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.769 2.590 2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.031 1.608 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.096 4.993 4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.115 4.528 3.549 1.00 0.00 H new ATOM 599 N ILE A 43 7.332 0.081 0.902 1.00 0.00 N ATOM 600 CA ILE A 43 6.792 -1.034 0.074 1.00 0.00 C ATOM 601 C ILE A 43 7.857 -2.128 -0.060 1.00 0.00 C ATOM 602 O ILE A 43 7.559 -3.302 0.027 1.00 0.00 O ATOM 603 CB ILE A 43 6.343 -0.511 -1.302 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.777 -1.664 -2.146 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.511 0.137 -2.047 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.544 -2.269 -1.458 1.00 0.00 C ATOM 0 H ILE A 43 7.524 0.949 0.402 1.00 0.00 H new ATOM 0 HA ILE A 43 5.916 -1.462 0.561 1.00 0.00 H new ATOM 0 HB ILE A 43 5.569 0.240 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.507 -1.300 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.539 -2.431 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.168 0.499 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.896 0.973 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.302 -0.598 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.152 -3.085 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.826 -2.650 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.778 -1.502 -1.343 1.00 0.00 H new ATOM 618 N ASP A 44 9.102 -1.765 -0.234 1.00 0.00 N ATOM 619 CA ASP A 44 10.153 -2.814 -0.327 1.00 0.00 C ATOM 620 C ASP A 44 10.178 -3.552 1.007 1.00 0.00 C ATOM 621 O ASP A 44 10.258 -4.763 1.066 1.00 0.00 O ATOM 622 CB ASP A 44 11.516 -2.164 -0.585 1.00 0.00 C ATOM 623 CG ASP A 44 11.550 -1.594 -2.004 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.758 -2.038 -2.818 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.367 -0.724 -2.252 1.00 0.00 O ATOM 0 H ASP A 44 9.430 -0.802 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 44 9.940 -3.501 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.696 -1.371 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.311 -2.899 -0.458 1.00 0.00 H new ATOM 630 N PHE A 45 10.076 -2.817 2.078 1.00 0.00 N ATOM 631 CA PHE A 45 10.054 -3.443 3.425 1.00 0.00 C ATOM 632 C PHE A 45 8.790 -4.294 3.553 1.00 0.00 C ATOM 633 O PHE A 45 8.804 -5.373 4.113 1.00 0.00 O ATOM 634 CB PHE A 45 10.032 -2.344 4.487 1.00 0.00 C ATOM 635 CG PHE A 45 10.010 -2.967 5.859 1.00 0.00 C ATOM 636 CD1 PHE A 45 8.785 -3.260 6.469 1.00 0.00 C ATOM 637 CD2 PHE A 45 11.208 -3.242 6.528 1.00 0.00 C ATOM 638 CE1 PHE A 45 8.756 -3.831 7.744 1.00 0.00 C ATOM 639 CE2 PHE A 45 11.180 -3.815 7.804 1.00 0.00 C ATOM 640 CZ PHE A 45 9.953 -4.109 8.413 1.00 0.00 C ATOM 0 H PHE A 45 10.006 -1.799 2.076 1.00 0.00 H new ATOM 0 HA PHE A 45 10.937 -4.067 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.908 -1.704 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.156 -1.710 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.861 -3.044 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.154 -3.012 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.810 -4.058 8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.104 -4.031 8.320 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.931 -4.550 9.399 1.00 0.00 H new ATOM 650 N TRP A 46 7.690 -3.804 3.043 1.00 0.00 N ATOM 651 CA TRP A 46 6.414 -4.566 3.136 1.00 0.00 C ATOM 652 C TRP A 46 6.573 -5.913 2.436 1.00 0.00 C ATOM 653 O TRP A 46 6.095 -6.928 2.902 1.00 0.00 O ATOM 654 CB TRP A 46 5.292 -3.777 2.460 1.00 0.00 C ATOM 655 CG TRP A 46 4.017 -4.553 2.561 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.183 -4.530 3.626 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.416 -5.463 1.592 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.112 -5.366 3.374 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.208 -5.962 2.135 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.795 -5.900 0.309 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.405 -6.861 1.434 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.987 -6.806 -0.401 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.795 -7.284 0.162 1.00 0.00 C ATOM 0 H TRP A 46 7.623 -2.906 2.565 1.00 0.00 H new ATOM 0 HA TRP A 46 6.166 -4.724 4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.178 -2.803 2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.539 -3.594 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.330 -3.952 4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.343 -5.523 4.026 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.711 -5.538 -0.133 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.488 -7.227 1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.286 -7.135 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.179 -7.979 -0.388 1.00 0.00 H new ATOM 674 N ILE A 47 7.241 -5.930 1.317 1.00 0.00 N ATOM 675 CA ILE A 47 7.432 -7.212 0.588 1.00 0.00 C ATOM 676 C ILE A 47 8.288 -8.142 1.445 1.00 0.00 C ATOM 677 O ILE A 47 8.046 -9.328 1.526 1.00 0.00 O ATOM 678 CB ILE A 47 8.140 -6.939 -0.741 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.213 -6.127 -1.653 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.487 -8.267 -1.419 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.993 -5.638 -2.874 1.00 0.00 C ATOM 0 H ILE A 47 7.662 -5.112 0.877 1.00 0.00 H new ATOM 0 HA ILE A 47 6.466 -7.678 0.391 1.00 0.00 H new ATOM 0 HB ILE A 47 9.055 -6.377 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.369 -6.740 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.802 -5.278 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.991 -8.072 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.145 -8.846 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.573 -8.831 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.332 -5.061 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.822 -5.009 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.382 -6.495 -3.424 1.00 0.00 H new ATOM 693 N SER A 48 9.288 -7.607 2.091 1.00 0.00 N ATOM 694 CA SER A 48 10.162 -8.456 2.947 1.00 0.00 C ATOM 695 C SER A 48 9.381 -8.921 4.180 1.00 0.00 C ATOM 696 O SER A 48 9.505 -10.049 4.613 1.00 0.00 O ATOM 697 CB SER A 48 11.378 -7.644 3.394 1.00 0.00 C ATOM 698 OG SER A 48 10.967 -6.669 4.343 1.00 0.00 O ATOM 0 H SER A 48 9.537 -6.618 2.062 1.00 0.00 H new ATOM 0 HA SER A 48 10.491 -9.325 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.128 -8.302 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.842 -7.159 2.535 1.00 0.00 H new ATOM 0 HG SER A 48 10.107 -6.287 4.068 1.00 0.00 H new ATOM 704 N CYS A 49 8.580 -8.062 4.755 1.00 0.00 N ATOM 705 CA CYS A 49 7.806 -8.468 5.964 1.00 0.00 C ATOM 706 C CYS A 49 6.820 -9.581 5.600 1.00 0.00 C ATOM 707 O CYS A 49 6.664 -10.546 6.321 1.00 0.01 O ATOM 708 CB CYS A 49 7.046 -7.259 6.528 1.00 0.00 C ATOM 709 SG CYS A 49 5.554 -6.946 5.549 1.00 0.01 S ATOM 0 H CYS A 49 8.429 -7.103 4.442 1.00 0.00 H new ATOM 0 HA CYS A 49 8.496 -8.838 6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.776 -7.443 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.689 -6.379 6.517 1.00 0.00 H new ATOM 0 HG CYS A 49 4.556 -7.608 6.055 1.00 0.01 H new ATOM 715 N GLU A 50 6.156 -9.458 4.483 1.00 0.00 N ATOM 716 CA GLU A 50 5.184 -10.513 4.077 1.00 0.00 C ATOM 717 C GLU A 50 5.917 -11.847 3.930 1.00 0.01 C ATOM 718 O GLU A 50 5.443 -12.876 4.367 1.00 0.00 O ATOM 719 CB GLU A 50 4.547 -10.134 2.741 1.00 0.01 C ATOM 720 CG GLU A 50 3.613 -8.938 2.936 1.00 0.00 C ATOM 721 CD GLU A 50 2.384 -9.377 3.733 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.157 -10.575 3.822 1.00 0.01 O ATOM 723 OE2 GLU A 50 1.688 -8.513 4.238 1.00 0.00 O ATOM 0 H GLU A 50 6.244 -8.675 3.835 1.00 0.00 H new ATOM 0 HA GLU A 50 4.407 -10.604 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.322 -9.888 2.015 1.00 0.01 H new ATOM 0 HB3 GLU A 50 3.990 -10.981 2.339 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.134 -8.138 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.309 -8.539 1.968 1.00 0.00 H new ATOM 730 N GLU A 51 7.078 -11.835 3.337 1.00 0.01 N ATOM 731 CA GLU A 51 7.845 -13.104 3.188 1.00 0.00 C ATOM 732 C GLU A 51 8.124 -13.663 4.580 1.00 0.01 C ATOM 733 O GLU A 51 8.058 -14.854 4.816 1.00 0.00 O ATOM 734 CB GLU A 51 9.172 -12.820 2.480 1.00 0.00 C ATOM 735 CG GLU A 51 8.912 -12.464 1.016 1.00 0.00 C ATOM 736 CD GLU A 51 10.242 -12.166 0.323 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.262 -12.233 0.987 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.217 -11.877 -0.862 1.00 0.01 O ATOM 0 H GLU A 51 7.528 -11.005 2.950 1.00 0.01 H new ATOM 0 HA GLU A 51 7.273 -13.821 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.691 -12.000 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.822 -13.693 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.404 -13.288 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.254 -11.598 0.952 1.00 0.00 H new ATOM 745 N TYR A 52 8.443 -12.798 5.499 1.00 0.00 N ATOM 746 CA TYR A 52 8.741 -13.236 6.888 1.00 0.01 C ATOM 747 C TYR A 52 7.501 -13.909 7.489 1.00 0.01 C ATOM 748 O TYR A 52 7.594 -14.902 8.183 1.00 0.01 O ATOM 749 CB TYR A 52 9.107 -11.998 7.709 1.00 0.00 C ATOM 750 CG TYR A 52 9.738 -12.410 9.013 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.935 -12.679 10.125 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.130 -12.514 9.111 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.523 -13.055 11.335 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.720 -12.890 10.322 1.00 0.00 C ATOM 755 CZ TYR A 52 10.916 -13.161 11.437 1.00 0.01 C ATOM 756 OH TYR A 52 11.496 -13.528 12.633 1.00 0.01 O ATOM 0 H TYR A 52 8.511 -11.792 5.344 1.00 0.00 H new ATOM 0 HA TYR A 52 9.566 -13.949 6.894 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.796 -11.369 7.145 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.215 -11.402 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.861 -12.596 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.749 -12.304 8.251 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.902 -13.264 12.194 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.794 -12.971 10.398 1.00 0.00 H new ATOM 0 HH TYR A 52 10.799 -13.644 13.312 1.00 0.01 H new ATOM 766 N LYS A 53 6.341 -13.371 7.225 1.00 0.01 N ATOM 767 CA LYS A 53 5.087 -13.966 7.773 1.00 0.01 C ATOM 768 C LYS A 53 4.783 -15.306 7.098 1.00 0.01 C ATOM 769 O LYS A 53 3.994 -16.087 7.592 1.00 0.01 O ATOM 770 CB LYS A 53 3.922 -13.000 7.553 1.00 0.01 C ATOM 771 CG LYS A 53 4.102 -11.789 8.468 1.00 0.00 C ATOM 772 CD LYS A 53 2.948 -10.808 8.263 1.00 0.00 C ATOM 773 CE LYS A 53 3.132 -9.607 9.194 1.00 0.01 C ATOM 774 NZ LYS A 53 4.503 -9.048 9.020 1.00 0.00 N ATOM 0 H LYS A 53 6.207 -12.540 6.650 1.00 0.01 H new ATOM 0 HA LYS A 53 5.222 -14.140 8.841 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.887 -12.683 6.511 1.00 0.01 H new ATOM 0 HB3 LYS A 53 2.975 -13.496 7.767 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.137 -12.110 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.051 -11.298 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.918 -10.477 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.997 -11.300 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.386 -8.844 8.972 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.980 -9.910 10.230 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 4.617 -8.212 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.207 -9.766 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.643 -8.776 8.026 1.00 0.00 H new ATOM 788 N LYS A 54 5.390 -15.586 5.976 1.00 0.00 N ATOM 789 CA LYS A 54 5.109 -16.884 5.295 1.00 0.01 C ATOM 790 C LYS A 54 5.996 -17.966 5.907 1.00 0.01 C ATOM 791 O LYS A 54 5.565 -19.080 6.132 1.00 0.01 O ATOM 792 CB LYS A 54 5.415 -16.762 3.803 1.00 0.01 C ATOM 793 CG LYS A 54 4.392 -15.833 3.146 1.00 0.01 C ATOM 794 CD LYS A 54 4.695 -15.710 1.654 1.00 0.00 C ATOM 795 CE LYS A 54 3.680 -14.769 1.006 1.00 0.01 C ATOM 796 NZ LYS A 54 3.858 -13.398 1.562 1.00 0.01 N ATOM 0 H LYS A 54 6.062 -14.980 5.505 1.00 0.00 H new ATOM 0 HA LYS A 54 4.059 -17.145 5.424 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.422 -16.371 3.658 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.384 -17.745 3.333 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.385 -16.224 3.292 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.424 -14.850 3.616 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.706 -15.329 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.652 -16.691 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.817 -14.756 -0.075 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.666 -15.122 1.195 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.418 -12.705 0.923 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.407 -13.342 2.498 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.873 -13.190 1.654 1.00 0.01 H new ATOM 810 N ILE A 55 7.226 -17.647 6.195 1.00 0.01 N ATOM 811 CA ILE A 55 8.122 -18.661 6.813 1.00 0.01 C ATOM 812 C ILE A 55 7.645 -18.929 8.242 1.00 0.00 C ATOM 813 O ILE A 55 7.688 -18.059 9.088 1.00 0.01 O ATOM 814 CB ILE A 55 9.555 -18.132 6.842 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.062 -17.946 5.410 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.456 -19.129 7.576 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.393 -17.190 5.435 1.00 0.01 C ATOM 0 H ILE A 55 7.648 -16.733 6.030 1.00 0.01 H new ATOM 0 HA ILE A 55 8.096 -19.583 6.232 1.00 0.01 H new ATOM 0 HB ILE A 55 9.575 -17.174 7.362 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.191 -18.916 4.930 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.329 -17.394 4.822 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.478 -18.750 7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.098 -19.260 8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.435 -20.088 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.755 -17.057 4.416 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.249 -16.214 5.899 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.124 -17.760 6.008 1.00 0.01 H new ATOM 829 N LYS A 56 7.185 -20.122 8.518 1.00 0.01 N ATOM 830 CA LYS A 56 6.699 -20.442 9.896 1.00 0.01 C ATOM 831 C LYS A 56 7.797 -21.162 10.680 1.00 0.01 C ATOM 832 O LYS A 56 7.618 -21.522 11.826 1.00 0.01 O ATOM 833 CB LYS A 56 5.467 -21.341 9.808 1.00 0.01 C ATOM 834 CG LYS A 56 4.290 -20.532 9.258 1.00 0.01 C ATOM 835 CD LYS A 56 3.043 -21.422 9.171 1.00 0.00 C ATOM 836 CE LYS A 56 2.484 -21.696 10.575 1.00 0.00 C ATOM 837 NZ LYS A 56 1.061 -22.121 10.470 1.00 0.00 N ATOM 0 H LYS A 56 7.124 -20.890 7.849 1.00 0.01 H new ATOM 0 HA LYS A 56 6.440 -19.515 10.407 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.671 -22.194 9.161 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.222 -21.739 10.793 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.093 -19.676 9.903 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.537 -20.138 8.272 1.00 0.01 H new ATOM 0 HD2 LYS A 56 2.283 -20.936 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.293 -22.363 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.071 -22.472 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.562 -20.800 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.683 -22.306 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.506 -21.367 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.999 -22.987 9.898 1.00 0.00 H new ATOM 851 N SER A 57 8.931 -21.376 10.070 1.00 0.00 N ATOM 852 CA SER A 57 10.050 -22.070 10.773 1.00 0.01 C ATOM 853 C SER A 57 10.976 -21.018 11.417 1.00 0.01 C ATOM 854 O SER A 57 11.632 -20.285 10.704 1.00 0.00 O ATOM 855 CB SER A 57 10.860 -22.860 9.748 1.00 0.01 C ATOM 856 OG SER A 57 10.092 -23.963 9.284 1.00 0.01 O ATOM 0 H SER A 57 9.132 -21.099 9.109 1.00 0.00 H new ATOM 0 HA SER A 57 9.648 -22.734 11.538 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.134 -22.217 8.912 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.789 -23.213 10.197 1.00 0.01 H new ATOM 0 HG SER A 57 10.611 -24.469 8.625 1.00 0.01 H new ATOM 862 N PRO A 58 11.058 -20.915 12.735 1.00 0.00 N ATOM 863 CA PRO A 58 11.955 -19.894 13.346 1.00 0.01 C ATOM 864 C PRO A 58 13.435 -20.215 13.097 1.00 0.00 C ATOM 865 O PRO A 58 14.319 -19.538 13.585 1.00 0.00 O ATOM 866 CB PRO A 58 11.597 -19.975 14.845 1.00 0.01 C ATOM 867 CG PRO A 58 10.691 -21.203 15.064 1.00 0.01 C ATOM 868 CD PRO A 58 10.293 -21.773 13.689 1.00 0.01 C ATOM 0 HA PRO A 58 11.818 -18.898 12.926 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.502 -20.059 15.447 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.087 -19.066 15.163 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.214 -21.959 15.650 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.802 -20.921 15.628 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.565 -22.824 13.594 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.218 -21.705 13.520 1.00 0.01 H new ATOM 876 N SER A 59 13.707 -21.244 12.342 1.00 0.01 N ATOM 877 CA SER A 59 15.124 -21.615 12.060 1.00 0.01 C ATOM 878 C SER A 59 15.625 -20.861 10.825 1.00 0.01 C ATOM 879 O SER A 59 16.793 -20.544 10.715 1.00 0.01 O ATOM 880 CB SER A 59 15.206 -23.120 11.800 1.00 0.01 C ATOM 881 OG SER A 59 16.571 -23.518 11.767 1.00 0.01 O ATOM 0 H SER A 59 13.008 -21.846 11.907 1.00 0.01 H new ATOM 0 HA SER A 59 15.743 -21.351 12.917 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.675 -23.665 12.581 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.721 -23.364 10.855 1.00 0.01 H new ATOM 0 HG SER A 59 16.627 -24.482 11.602 1.00 0.01 H new ATOM 887 N LYS A 60 14.758 -20.585 9.884 1.00 0.00 N ATOM 888 CA LYS A 60 15.199 -19.868 8.645 1.00 0.00 C ATOM 889 C LYS A 60 14.978 -18.357 8.787 1.00 0.01 C ATOM 890 O LYS A 60 15.489 -17.578 8.007 1.00 0.01 O ATOM 891 CB LYS A 60 14.388 -20.387 7.455 1.00 0.01 C ATOM 892 CG LYS A 60 14.811 -21.824 7.140 1.00 0.01 C ATOM 893 CD LYS A 60 14.142 -22.294 5.841 1.00 0.01 C ATOM 894 CE LYS A 60 12.617 -22.259 5.993 1.00 0.01 C ATOM 895 NZ LYS A 60 11.997 -23.152 4.973 1.00 0.01 N ATOM 0 H LYS A 60 13.767 -20.823 9.918 1.00 0.00 H new ATOM 0 HA LYS A 60 16.262 -20.052 8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.323 -20.351 7.683 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.549 -19.750 6.585 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.895 -21.880 7.041 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.531 -22.483 7.962 1.00 0.01 H new ATOM 0 HD2 LYS A 60 14.448 -21.654 5.013 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.468 -23.306 5.600 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.333 -22.581 6.995 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.252 -21.239 5.870 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 10.962 -23.129 5.075 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.258 -22.825 4.021 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.337 -24.125 5.111 1.00 0.01 H new ATOM 909 N LEU A 61 14.223 -17.929 9.760 1.00 0.01 N ATOM 910 CA LEU A 61 13.988 -16.462 9.919 1.00 0.01 C ATOM 911 C LEU A 61 15.317 -15.733 10.151 1.00 0.01 C ATOM 912 O LEU A 61 15.537 -14.651 9.644 1.00 0.01 O ATOM 913 CB LEU A 61 13.055 -16.202 11.110 1.00 0.01 C ATOM 914 CG LEU A 61 11.697 -16.893 10.897 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.784 -16.609 12.102 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.030 -16.372 9.609 1.00 0.01 C ATOM 0 H LEU A 61 13.761 -18.524 10.448 1.00 0.01 H new ATOM 0 HA LEU A 61 13.525 -16.087 9.006 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.516 -16.570 12.027 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.907 -15.129 11.235 1.00 0.01 H new ATOM 0 HG LEU A 61 11.856 -17.967 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.821 -17.098 11.952 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.249 -16.994 13.010 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.634 -15.534 12.199 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.070 -16.869 9.470 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.874 -15.296 9.690 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.674 -16.582 8.755 1.00 0.01 H new ATOM 928 N SER A 62 16.199 -16.305 10.923 1.00 0.00 N ATOM 929 CA SER A 62 17.503 -15.632 11.199 1.00 0.01 C ATOM 930 C SER A 62 18.182 -15.166 9.890 1.00 0.01 C ATOM 931 O SER A 62 18.362 -13.981 9.690 1.00 0.01 O ATOM 932 CB SER A 62 18.412 -16.592 11.985 1.00 0.01 C ATOM 933 OG SER A 62 18.327 -16.277 13.370 1.00 0.01 O ATOM 0 H SER A 62 16.075 -17.210 11.376 1.00 0.00 H new ATOM 0 HA SER A 62 17.322 -14.740 11.799 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.107 -17.624 11.814 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.442 -16.502 11.641 1.00 0.01 H new ATOM 0 HG SER A 62 18.902 -16.885 13.880 1.00 0.01 H new ATOM 939 N PRO A 63 18.568 -16.066 9.008 1.00 0.00 N ATOM 940 CA PRO A 63 19.236 -15.664 7.736 1.00 0.00 C ATOM 941 C PRO A 63 18.678 -14.369 7.121 1.00 0.01 C ATOM 942 O PRO A 63 19.386 -13.392 6.976 1.00 0.00 O ATOM 943 CB PRO A 63 18.965 -16.881 6.838 1.00 0.01 C ATOM 944 CG PRO A 63 18.577 -18.067 7.748 1.00 0.01 C ATOM 945 CD PRO A 63 18.381 -17.533 9.186 1.00 0.01 C ATOM 0 HA PRO A 63 20.291 -15.429 7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.163 -16.663 6.133 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.849 -17.125 6.250 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.661 -18.537 7.389 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.355 -18.830 7.729 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.392 -17.772 9.577 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.109 -17.955 9.879 1.00 0.01 H new ATOM 953 N LYS A 64 17.428 -14.354 6.742 1.00 0.01 N ATOM 954 CA LYS A 64 16.872 -13.117 6.122 1.00 0.01 C ATOM 955 C LYS A 64 16.710 -12.017 7.171 1.00 0.00 C ATOM 956 O LYS A 64 16.785 -10.844 6.864 1.00 0.00 O ATOM 957 CB LYS A 64 15.516 -13.405 5.473 1.00 0.00 C ATOM 958 CG LYS A 64 14.560 -14.052 6.486 1.00 0.01 C ATOM 959 CD LYS A 64 13.115 -13.853 6.023 1.00 0.01 C ATOM 960 CE LYS A 64 12.958 -14.388 4.600 1.00 0.01 C ATOM 961 NZ LYS A 64 11.510 -14.480 4.259 1.00 0.00 N ATOM 0 H LYS A 64 16.776 -15.133 6.833 1.00 0.01 H new ATOM 0 HA LYS A 64 17.571 -12.780 5.356 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.083 -12.479 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.649 -14.066 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.779 -15.115 6.581 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.702 -13.608 7.471 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.432 -14.372 6.695 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.854 -12.795 6.056 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.467 -13.731 3.895 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.425 -15.369 4.516 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.368 -15.223 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.966 -14.713 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.184 -13.568 3.879 1.00 0.00 H new ATOM 975 N ALA A 65 16.488 -12.371 8.406 1.00 0.00 N ATOM 976 CA ALA A 65 16.327 -11.321 9.446 1.00 0.01 C ATOM 977 C ALA A 65 17.584 -10.460 9.459 1.00 0.01 C ATOM 978 O ALA A 65 17.521 -9.247 9.433 1.00 0.01 O ATOM 979 CB ALA A 65 16.139 -11.973 10.816 1.00 0.01 C ATOM 0 H ALA A 65 16.412 -13.333 8.737 1.00 0.00 H new ATOM 0 HA ALA A 65 15.453 -10.709 9.225 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.022 -11.199 11.574 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.250 -12.603 10.800 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.011 -12.582 11.052 1.00 0.01 H new ATOM 985 N LYS A 66 18.729 -11.082 9.490 1.00 0.01 N ATOM 986 CA LYS A 66 19.994 -10.304 9.492 1.00 0.00 C ATOM 987 C LYS A 66 20.055 -9.459 8.221 1.00 0.01 C ATOM 988 O LYS A 66 20.399 -8.296 8.253 1.00 0.01 O ATOM 989 CB LYS A 66 21.179 -11.270 9.520 1.00 0.01 C ATOM 990 CG LYS A 66 21.248 -11.958 10.886 1.00 0.01 C ATOM 991 CD LYS A 66 22.434 -12.924 10.909 1.00 0.01 C ATOM 992 CE LYS A 66 22.507 -13.613 12.272 1.00 0.00 C ATOM 993 NZ LYS A 66 21.240 -14.359 12.520 1.00 0.00 N ATOM 0 H LYS A 66 18.841 -12.095 9.514 1.00 0.01 H new ATOM 0 HA LYS A 66 20.034 -9.657 10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.073 -12.015 8.731 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.106 -10.730 9.326 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.356 -11.214 11.675 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.321 -12.498 11.081 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.326 -13.668 10.119 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.360 -12.384 10.713 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.356 -14.296 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.666 -12.874 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.391 -15.059 13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.496 -13.693 12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.948 -14.846 11.649 1.00 0.00 H new ATOM 1007 N LYS A 67 19.717 -10.037 7.099 1.00 0.00 N ATOM 1008 CA LYS A 67 19.751 -9.268 5.825 1.00 0.00 C ATOM 1009 C LYS A 67 18.713 -8.148 5.881 1.00 0.01 C ATOM 1010 O LYS A 67 18.990 -7.013 5.548 1.00 0.01 O ATOM 1011 CB LYS A 67 19.424 -10.203 4.658 1.00 0.00 C ATOM 1012 CG LYS A 67 20.549 -11.226 4.488 1.00 0.01 C ATOM 1013 CD LYS A 67 20.221 -12.160 3.321 1.00 0.00 C ATOM 1014 CE LYS A 67 21.349 -13.180 3.154 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.429 -14.038 4.370 1.00 0.01 N ATOM 0 H LYS A 67 19.419 -11.009 7.012 1.00 0.00 H new ATOM 0 HA LYS A 67 20.744 -8.840 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.479 -10.714 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.301 -9.627 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.494 -10.715 4.304 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.672 -11.802 5.405 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.277 -12.672 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.098 -11.584 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.169 -13.796 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.297 -12.666 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.950 -14.910 4.146 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 21.924 -13.523 5.126 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 20.469 -14.280 4.688 1.00 0.01 H new ATOM 1029 N ILE A 68 17.515 -8.459 6.301 1.00 0.01 N ATOM 1030 CA ILE A 68 16.461 -7.411 6.379 1.00 0.00 C ATOM 1031 C ILE A 68 16.802 -6.440 7.510 1.00 0.01 C ATOM 1032 O ILE A 68 16.721 -5.239 7.357 1.00 0.00 O ATOM 1033 CB ILE A 68 15.105 -8.070 6.659 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.729 -8.980 5.486 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.032 -6.990 6.825 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.511 -9.824 5.865 1.00 0.00 C ATOM 0 H ILE A 68 17.223 -9.392 6.592 1.00 0.01 H new ATOM 0 HA ILE A 68 16.410 -6.869 5.435 1.00 0.00 H new ATOM 0 HB ILE A 68 15.172 -8.659 7.574 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.509 -8.380 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.568 -9.627 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.069 -7.461 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.297 -6.339 7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.965 -6.400 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.243 -10.472 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.748 -10.434 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.672 -9.168 6.099 1.00 0.00 H new ATOM 1048 N TYR A 69 17.186 -6.955 8.645 1.00 0.00 N ATOM 1049 CA TYR A 69 17.536 -6.069 9.786 1.00 0.01 C ATOM 1050 C TYR A 69 18.710 -5.169 9.404 1.00 0.00 C ATOM 1051 O TYR A 69 18.672 -3.968 9.582 1.00 0.01 O ATOM 1052 CB TYR A 69 17.925 -6.929 10.988 1.00 0.01 C ATOM 1053 CG TYR A 69 18.354 -6.041 12.133 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.697 -5.669 12.262 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.409 -5.591 13.061 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.096 -4.847 13.323 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.808 -4.768 14.122 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.151 -4.397 14.252 1.00 0.01 C ATOM 1059 OH TYR A 69 19.545 -3.588 15.300 1.00 0.01 O ATOM 0 H TYR A 69 17.272 -7.954 8.830 1.00 0.00 H new ATOM 0 HA TYR A 69 16.677 -5.447 10.038 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.081 -7.549 11.292 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.736 -7.605 10.716 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.425 -6.016 11.544 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.373 -5.878 12.960 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.132 -4.560 13.424 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.079 -4.420 14.839 1.00 0.01 H new ATOM 0 HH TYR A 69 18.960 -2.803 15.345 1.00 0.01 H new ATOM 1069 N ASN A 70 19.756 -5.743 8.881 1.00 0.01 N ATOM 1070 CA ASN A 70 20.938 -4.932 8.486 1.00 0.00 C ATOM 1071 C ASN A 70 20.586 -4.029 7.302 1.00 0.00 C ATOM 1072 O ASN A 70 21.053 -2.911 7.198 1.00 0.01 O ATOM 1073 CB ASN A 70 22.097 -5.858 8.101 1.00 0.00 C ATOM 1074 CG ASN A 70 22.627 -6.558 9.356 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.514 -6.036 10.448 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.203 -7.723 9.248 1.00 0.01 N ATOM 0 H ASN A 70 19.843 -6.745 8.710 1.00 0.01 H new ATOM 0 HA ASN A 70 21.237 -4.310 9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.761 -6.597 7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.894 -5.284 7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.558 -8.195 10.079 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.298 -8.162 8.332 1.00 0.01 H new ATOM 1083 N GLU A 71 19.802 -4.522 6.389 1.00 0.00 N ATOM 1084 CA GLU A 71 19.449 -3.724 5.180 1.00 0.00 C ATOM 1085 C GLU A 71 18.422 -2.619 5.486 1.00 0.00 C ATOM 1086 O GLU A 71 18.369 -1.634 4.777 1.00 0.00 O ATOM 1087 CB GLU A 71 18.879 -4.667 4.114 1.00 0.00 C ATOM 1088 CG GLU A 71 18.569 -3.886 2.830 1.00 0.00 C ATOM 1089 CD GLU A 71 18.012 -4.845 1.775 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.072 -6.042 2.002 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.538 -4.365 0.759 1.00 0.00 O ATOM 0 H GLU A 71 19.385 -5.452 6.426 1.00 0.00 H new ATOM 0 HA GLU A 71 20.356 -3.235 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.593 -5.462 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.972 -5.144 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.847 -3.096 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.472 -3.403 2.458 1.00 0.00 H new ATOM 1098 N PHE A 72 17.570 -2.773 6.484 1.00 0.00 N ATOM 1099 CA PHE A 72 16.525 -1.710 6.740 1.00 0.00 C ATOM 1100 C PHE A 72 16.463 -1.265 8.209 1.00 0.00 C ATOM 1101 O PHE A 72 15.928 -0.213 8.499 1.00 0.00 O ATOM 1102 CB PHE A 72 15.156 -2.274 6.363 1.00 0.00 C ATOM 1103 CG PHE A 72 15.127 -2.613 4.894 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.826 -1.621 3.956 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.394 -3.921 4.468 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.791 -1.933 2.592 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.361 -4.234 3.105 1.00 0.00 C ATOM 1108 CZ PHE A 72 15.059 -3.240 2.166 1.00 0.00 C ATOM 0 H PHE A 72 17.550 -3.570 7.121 1.00 0.00 H new ATOM 0 HA PHE A 72 16.797 -0.842 6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.944 -3.165 6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.378 -1.546 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.620 -0.613 4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.625 -4.688 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.557 -1.166 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.568 -5.242 2.777 1.00 0.00 H new ATOM 0 HZ PHE A 72 15.033 -3.481 1.114 1.00 0.00 H new ATOM 1118 N ILE A 73 16.959 -2.040 9.141 1.00 0.00 N ATOM 1119 CA ILE A 73 16.860 -1.625 10.587 1.00 0.00 C ATOM 1120 C ILE A 73 18.206 -1.126 11.121 1.00 0.00 C ATOM 1121 O ILE A 73 18.250 -0.315 12.025 1.00 0.01 O ATOM 1122 CB ILE A 73 16.404 -2.825 11.418 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.059 -3.346 10.879 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.258 -2.414 12.887 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.989 -2.244 10.892 1.00 0.00 C ATOM 0 H ILE A 73 17.424 -2.932 8.973 1.00 0.00 H new ATOM 0 HA ILE A 73 16.141 -0.809 10.662 1.00 0.00 H new ATOM 0 HB ILE A 73 17.148 -3.618 11.346 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.191 -3.716 9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.724 -4.189 11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.933 -3.273 13.474 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.218 -2.060 13.263 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.519 -1.617 12.970 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.051 -2.643 10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.841 -1.893 11.913 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.315 -1.413 10.266 1.00 0.00 H new ATOM 1137 N SER A 74 19.302 -1.594 10.598 1.00 0.01 N ATOM 1138 CA SER A 74 20.614 -1.116 11.124 1.00 0.00 C ATOM 1139 C SER A 74 20.715 0.399 10.942 1.00 0.00 C ATOM 1140 O SER A 74 20.490 0.924 9.871 1.00 0.01 O ATOM 1141 CB SER A 74 21.760 -1.813 10.381 1.00 0.00 C ATOM 1142 OG SER A 74 22.068 -3.031 11.048 1.00 0.01 O ATOM 0 H SER A 74 19.351 -2.276 9.841 1.00 0.01 H new ATOM 0 HA SER A 74 20.687 -1.355 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.474 -2.011 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.638 -1.167 10.351 1.00 0.00 H new ATOM 0 HG SER A 74 21.310 -3.297 11.609 1.00 0.01 H new ATOM 1148 N VAL A 75 21.066 1.102 11.981 1.00 0.01 N ATOM 1149 CA VAL A 75 21.193 2.581 11.870 1.00 0.01 C ATOM 1150 C VAL A 75 22.207 2.914 10.770 1.00 0.00 C ATOM 1151 O VAL A 75 22.285 4.033 10.303 1.00 0.00 O ATOM 1152 CB VAL A 75 21.661 3.159 13.210 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.483 3.219 14.188 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.756 2.267 13.800 1.00 0.00 C ATOM 0 H VAL A 75 21.271 0.716 12.903 1.00 0.01 H new ATOM 0 HA VAL A 75 20.227 3.018 11.617 1.00 0.01 H new ATOM 0 HB VAL A 75 22.052 4.163 13.047 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.820 3.631 15.139 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.699 3.854 13.775 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.090 2.215 14.346 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.087 2.680 14.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.362 1.263 13.957 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.599 2.222 13.111 1.00 0.00 H new ATOM 1164 N GLN A 76 22.981 1.943 10.345 1.00 0.01 N ATOM 1165 CA GLN A 76 23.992 2.191 9.264 1.00 0.01 C ATOM 1166 C GLN A 76 23.449 1.684 7.925 1.00 0.01 C ATOM 1167 O GLN A 76 24.061 1.866 6.891 1.00 0.01 O ATOM 1168 CB GLN A 76 25.288 1.441 9.588 1.00 0.00 C ATOM 1169 CG GLN A 76 25.997 2.115 10.764 1.00 0.01 C ATOM 1170 CD GLN A 76 27.153 1.232 11.237 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.207 0.061 10.921 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.085 1.748 11.992 1.00 0.01 N ATOM 0 H GLN A 76 22.957 0.987 10.700 1.00 0.01 H new ATOM 0 HA GLN A 76 24.190 3.261 9.202 1.00 0.01 H new ATOM 0 HB2 GLN A 76 25.066 0.402 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.941 1.431 8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.372 3.093 10.464 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.294 2.280 11.580 1.00 0.01 H new ATOM 0 HE21 GLN A 76 28.040 2.732 12.258 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.858 1.167 12.316 1.00 0.01 H new ATOM 1181 N ALA A 77 22.310 1.050 7.932 1.00 0.01 N ATOM 1182 CA ALA A 77 21.739 0.536 6.656 1.00 0.00 C ATOM 1183 C ALA A 77 21.707 1.661 5.618 1.00 0.01 C ATOM 1184 O ALA A 77 21.482 2.811 5.942 1.00 0.00 O ATOM 1185 CB ALA A 77 20.319 0.017 6.899 1.00 0.00 C ATOM 0 H ALA A 77 21.750 0.866 8.765 1.00 0.01 H new ATOM 0 HA ALA A 77 22.360 -0.279 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.904 -0.358 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.347 -0.788 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.694 0.828 7.274 1.00 0.00 H new ATOM 1191 N THR A 78 21.931 1.338 4.375 1.00 0.01 N ATOM 1192 CA THR A 78 21.915 2.385 3.313 1.00 0.01 C ATOM 1193 C THR A 78 20.477 2.850 3.071 1.00 0.01 C ATOM 1194 O THR A 78 20.245 3.908 2.518 1.00 0.00 O ATOM 1195 CB THR A 78 22.481 1.801 2.017 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.675 0.708 1.603 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.913 1.322 2.250 1.00 0.01 C ATOM 0 H THR A 78 22.125 0.392 4.047 1.00 0.01 H new ATOM 0 HA THR A 78 22.522 3.232 3.631 1.00 0.01 H new ATOM 0 HB THR A 78 22.481 2.568 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 78 22.034 0.333 0.772 1.00 0.01 H new ATOM 0 HG21 THR A 78 24.313 0.907 1.325 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.531 2.162 2.567 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.919 0.555 3.024 1.00 0.01 H new ATOM 1205 N LYS A 79 19.510 2.063 3.473 1.00 0.00 N ATOM 1206 CA LYS A 79 18.079 2.446 3.262 1.00 0.00 C ATOM 1207 C LYS A 79 17.274 2.131 4.524 1.00 0.00 C ATOM 1208 O LYS A 79 16.667 1.087 4.649 1.00 0.00 O ATOM 1209 CB LYS A 79 17.506 1.666 2.066 1.00 0.00 C ATOM 1210 CG LYS A 79 17.952 0.193 2.118 1.00 0.00 C ATOM 1211 CD LYS A 79 17.514 -0.539 0.834 1.00 0.01 C ATOM 1212 CE LYS A 79 18.532 -0.299 -0.292 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.173 -1.138 -1.471 1.00 0.00 N ATOM 0 H LYS A 79 19.651 1.167 3.940 1.00 0.00 H new ATOM 0 HA LYS A 79 18.015 3.514 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.418 1.723 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.841 2.121 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 19.035 0.137 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.518 -0.296 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.423 -1.607 1.030 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.530 -0.187 0.525 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.541 0.755 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.536 -0.546 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.861 -0.977 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.186 -2.142 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.221 -0.881 -1.803 1.00 0.00 H new ATOM 1227 N GLU A 80 17.262 3.036 5.460 1.00 0.00 N ATOM 1228 CA GLU A 80 16.497 2.805 6.716 1.00 0.00 C ATOM 1229 C GLU A 80 15.009 3.041 6.464 1.00 0.00 C ATOM 1230 O GLU A 80 14.625 3.727 5.536 1.00 0.00 O ATOM 1231 CB GLU A 80 16.986 3.770 7.804 1.00 0.00 C ATOM 1232 CG GLU A 80 18.283 3.241 8.416 1.00 0.00 C ATOM 1233 CD GLU A 80 17.968 2.012 9.273 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.342 2.181 10.305 1.00 0.01 O ATOM 1235 OE2 GLU A 80 18.356 0.925 8.882 1.00 0.00 O ATOM 0 H GLU A 80 17.751 3.930 5.410 1.00 0.00 H new ATOM 0 HA GLU A 80 16.652 1.777 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.151 4.760 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.225 3.878 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.991 2.979 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.754 4.013 9.025 1.00 0.00 H new ATOM 1242 N VAL A 81 14.176 2.479 7.297 1.00 0.00 N ATOM 1243 CA VAL A 81 12.700 2.658 7.149 1.00 0.00 C ATOM 1244 C VAL A 81 12.210 3.564 8.276 1.00 0.00 C ATOM 1245 O VAL A 81 12.760 3.573 9.359 1.00 0.00 O ATOM 1246 CB VAL A 81 12.008 1.293 7.242 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.153 0.547 5.908 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.656 0.471 8.360 1.00 0.00 C ATOM 0 H VAL A 81 14.458 1.895 8.085 1.00 0.00 H new ATOM 0 HA VAL A 81 12.468 3.106 6.183 1.00 0.00 H new ATOM 0 HB VAL A 81 10.950 1.438 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.660 -0.423 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.692 1.132 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.210 0.401 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.166 -0.500 8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.714 0.329 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.550 0.999 9.308 1.00 0.00 H new ATOM 1258 N ASN A 82 11.193 4.341 8.033 1.00 0.00 N ATOM 1259 CA ASN A 82 10.694 5.254 9.095 1.00 0.00 C ATOM 1260 C ASN A 82 9.943 4.447 10.156 1.00 0.00 C ATOM 1261 O ASN A 82 8.842 3.982 9.938 1.00 0.00 O ATOM 1262 CB ASN A 82 9.759 6.296 8.476 1.00 0.00 C ATOM 1263 CG ASN A 82 8.848 5.624 7.445 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.278 6.285 6.600 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.684 4.330 7.478 1.00 0.00 N ATOM 0 H ASN A 82 10.688 4.383 7.148 1.00 0.00 H new ATOM 0 HA ASN A 82 11.537 5.761 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.158 6.767 9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.342 7.085 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.078 3.875 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.162 3.773 8.187 1.00 0.00 H new ATOM 1272 N LEU A 83 10.537 4.289 11.310 1.00 0.00 N ATOM 1273 CA LEU A 83 9.882 3.524 12.412 1.00 0.00 C ATOM 1274 C LEU A 83 10.244 4.180 13.745 1.00 0.00 C ATOM 1275 O LEU A 83 11.188 4.939 13.838 1.00 0.00 O ATOM 1276 CB LEU A 83 10.386 2.073 12.424 1.00 0.01 C ATOM 1277 CG LEU A 83 9.903 1.315 11.177 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.579 -0.058 11.140 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.373 1.136 11.216 1.00 0.00 C ATOM 0 H LEU A 83 11.459 4.662 11.538 1.00 0.00 H new ATOM 0 HA LEU A 83 8.803 3.527 12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.475 2.062 12.462 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.031 1.568 13.322 1.00 0.01 H new ATOM 0 HG LEU A 83 10.163 1.886 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.244 -0.605 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.661 0.070 11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.315 -0.618 12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.047 0.598 10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.095 0.570 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.893 2.114 11.245 1.00 0.00 H new ATOM 1291 N ASP A 84 9.504 3.891 14.777 1.00 0.01 N ATOM 1292 CA ASP A 84 9.811 4.495 16.102 1.00 0.00 C ATOM 1293 C ASP A 84 11.089 3.863 16.659 1.00 0.00 C ATOM 1294 O ASP A 84 11.524 2.820 16.212 1.00 0.00 O ATOM 1295 CB ASP A 84 8.646 4.242 17.062 1.00 0.00 C ATOM 1296 CG ASP A 84 8.286 2.755 17.053 1.00 0.01 C ATOM 1297 OD1 ASP A 84 8.332 2.162 15.988 1.00 0.00 O ATOM 1298 OD2 ASP A 84 7.964 2.238 18.108 1.00 0.01 O ATOM 0 H ASP A 84 8.700 3.263 14.761 1.00 0.01 H new ATOM 0 HA ASP A 84 9.956 5.570 15.992 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.918 4.554 18.070 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.782 4.837 16.766 1.00 0.00 H new ATOM 1303 N SER A 85 11.700 4.493 17.623 1.00 0.00 N ATOM 1304 CA SER A 85 12.957 3.943 18.204 1.00 0.01 C ATOM 1305 C SER A 85 12.653 2.675 19.003 1.00 0.01 C ATOM 1306 O SER A 85 13.537 1.910 19.324 1.00 0.00 O ATOM 1307 CB SER A 85 13.589 4.982 19.130 1.00 0.01 C ATOM 1308 OG SER A 85 13.924 6.140 18.377 1.00 0.00 O ATOM 0 H SER A 85 11.381 5.370 18.036 1.00 0.00 H new ATOM 0 HA SER A 85 13.646 3.702 17.395 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.896 5.242 19.930 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.481 4.570 19.602 1.00 0.01 H new ATOM 0 HG SER A 85 14.328 6.809 18.968 1.00 0.00 H new ATOM 1314 N CYS A 86 11.414 2.449 19.337 1.00 0.01 N ATOM 1315 CA CYS A 86 11.068 1.232 20.129 1.00 0.01 C ATOM 1316 C CYS A 86 10.931 0.023 19.200 1.00 0.00 C ATOM 1317 O CYS A 86 11.474 -1.032 19.462 1.00 0.01 O ATOM 1318 CB CYS A 86 9.743 1.465 20.861 1.00 0.01 C ATOM 1319 SG CYS A 86 9.131 -0.105 21.525 1.00 0.01 S ATOM 0 H CYS A 86 10.626 3.051 19.098 1.00 0.01 H new ATOM 0 HA CYS A 86 11.860 1.037 20.852 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.884 2.183 21.669 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.009 1.893 20.178 1.00 0.01 H new ATOM 0 HG CYS A 86 8.866 -0.917 20.545 1.00 0.01 H new ATOM 1325 N THR A 87 10.203 0.158 18.131 1.00 0.00 N ATOM 1326 CA THR A 87 10.024 -0.997 17.204 1.00 0.00 C ATOM 1327 C THR A 87 11.378 -1.458 16.655 1.00 0.00 C ATOM 1328 O THR A 87 11.645 -2.640 16.558 1.00 0.01 O ATOM 1329 CB THR A 87 9.127 -0.579 16.039 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.861 -0.172 16.539 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.947 -1.762 15.086 1.00 0.00 C ATOM 0 H THR A 87 9.723 1.015 17.856 1.00 0.00 H new ATOM 0 HA THR A 87 9.565 -1.819 17.753 1.00 0.00 H new ATOM 0 HB THR A 87 9.588 0.251 15.503 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.621 0.697 16.154 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.307 -1.465 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.919 -2.072 14.703 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.486 -2.593 15.620 1.00 0.00 H new ATOM 1339 N ARG A 88 12.236 -0.543 16.293 1.00 0.01 N ATOM 1340 CA ARG A 88 13.564 -0.948 15.749 1.00 0.00 C ATOM 1341 C ARG A 88 14.318 -1.767 16.799 1.00 0.00 C ATOM 1342 O ARG A 88 14.859 -2.815 16.512 1.00 0.01 O ATOM 1343 CB ARG A 88 14.366 0.306 15.398 1.00 0.00 C ATOM 1344 CG ARG A 88 13.737 0.983 14.180 1.00 0.00 C ATOM 1345 CD ARG A 88 14.505 2.264 13.858 1.00 0.00 C ATOM 1346 NE ARG A 88 15.934 1.932 13.596 1.00 0.01 N ATOM 1347 CZ ARG A 88 16.709 2.806 13.017 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.228 3.964 12.659 1.00 0.00 N ATOM 1349 NH2 ARG A 88 17.964 2.522 12.798 1.00 0.01 N ATOM 0 H ARG A 88 12.076 0.463 16.350 1.00 0.01 H new ATOM 0 HA ARG A 88 13.426 -1.554 14.854 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.378 0.993 16.244 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.402 0.042 15.187 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.758 0.308 13.324 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.690 1.214 14.378 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.069 2.754 12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.430 2.965 14.689 1.00 0.00 H new ATOM 0 HE ARG A 88 16.305 1.022 13.869 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.247 4.184 12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.833 4.649 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.339 1.616 13.080 1.00 0.01 H new ATOM 0 HH22 ARG A 88 18.570 3.206 12.345 1.00 0.01 H new ATOM 1363 N GLU A 89 14.343 -1.301 18.014 1.00 0.01 N ATOM 1364 CA GLU A 89 15.045 -2.051 19.090 1.00 0.01 C ATOM 1365 C GLU A 89 14.413 -3.434 19.245 1.00 0.01 C ATOM 1366 O GLU A 89 15.092 -4.419 19.447 1.00 0.00 O ATOM 1367 CB GLU A 89 14.940 -1.279 20.405 1.00 0.01 C ATOM 1368 CG GLU A 89 15.799 -0.016 20.316 1.00 0.01 C ATOM 1369 CD GLU A 89 15.691 0.769 21.625 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.853 0.416 22.437 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.450 1.708 21.793 1.00 0.01 O ATOM 0 H GLU A 89 13.905 -0.429 18.310 1.00 0.01 H new ATOM 0 HA GLU A 89 16.097 -2.166 18.827 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.901 -1.014 20.603 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.274 -1.903 21.234 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.838 -0.283 20.125 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.470 0.602 19.481 1.00 0.01 H new ATOM 1378 N GLU A 90 13.116 -3.518 19.154 1.00 0.00 N ATOM 1379 CA GLU A 90 12.456 -4.843 19.302 1.00 0.01 C ATOM 1380 C GLU A 90 12.971 -5.794 18.221 1.00 0.01 C ATOM 1381 O GLU A 90 13.223 -6.953 18.481 1.00 0.01 O ATOM 1382 CB GLU A 90 10.940 -4.684 19.166 1.00 0.01 C ATOM 1383 CG GLU A 90 10.393 -3.947 20.390 1.00 0.00 C ATOM 1384 CD GLU A 90 8.919 -3.603 20.165 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.407 -3.937 19.110 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.329 -3.010 21.053 1.00 0.01 O ATOM 0 H GLU A 90 12.488 -2.732 18.985 1.00 0.00 H new ATOM 0 HA GLU A 90 12.687 -5.252 20.285 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.702 -4.130 18.258 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.468 -5.662 19.076 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.500 -4.568 21.279 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.967 -3.037 20.566 1.00 0.00 H new ATOM 1393 N THR A 91 13.146 -5.324 17.015 1.00 0.01 N ATOM 1394 CA THR A 91 13.661 -6.234 15.958 1.00 0.01 C ATOM 1395 C THR A 91 15.086 -6.638 16.323 1.00 0.01 C ATOM 1396 O THR A 91 15.470 -7.778 16.179 1.00 0.01 O ATOM 1397 CB THR A 91 13.664 -5.534 14.596 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.438 -4.835 14.422 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.811 -6.585 13.495 1.00 0.01 C ATOM 0 H THR A 91 12.958 -4.366 16.721 1.00 0.01 H new ATOM 0 HA THR A 91 13.018 -7.111 15.892 1.00 0.01 H new ATOM 0 HB THR A 91 14.494 -4.829 14.545 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.439 -4.385 13.551 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.814 -6.094 12.522 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.747 -7.126 13.631 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.977 -7.285 13.546 1.00 0.01 H new ATOM 1407 N SER A 92 15.869 -5.707 16.808 1.00 0.01 N ATOM 1408 CA SER A 92 17.271 -6.028 17.198 1.00 0.01 C ATOM 1409 C SER A 92 17.247 -7.103 18.288 1.00 0.01 C ATOM 1410 O SER A 92 18.064 -8.001 18.319 1.00 0.00 O ATOM 1411 CB SER A 92 17.957 -4.769 17.730 1.00 0.01 C ATOM 1412 OG SER A 92 17.396 -4.422 18.989 1.00 0.01 O ATOM 0 H SER A 92 15.594 -4.735 16.950 1.00 0.01 H new ATOM 0 HA SER A 92 17.822 -6.393 16.332 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.029 -4.941 17.832 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.832 -3.947 17.025 1.00 0.01 H new ATOM 0 HG SER A 92 16.421 -4.508 18.947 1.00 0.01 H new ATOM 1418 N ARG A 93 16.313 -7.010 19.191 1.00 0.01 N ATOM 1419 CA ARG A 93 16.214 -8.015 20.286 1.00 0.01 C ATOM 1420 C ARG A 93 15.770 -9.364 19.706 1.00 0.01 C ATOM 1421 O ARG A 93 16.201 -10.414 20.139 1.00 0.01 O ATOM 1422 CB ARG A 93 15.183 -7.537 21.309 1.00 0.00 C ATOM 1423 CG ARG A 93 15.737 -6.324 22.062 1.00 0.01 C ATOM 1424 CD ARG A 93 14.704 -5.839 23.084 1.00 0.01 C ATOM 1425 NE ARG A 93 15.007 -4.422 23.479 1.00 0.00 N ATOM 1426 CZ ARG A 93 16.178 -4.070 23.942 1.00 0.01 C ATOM 1427 NH1 ARG A 93 17.072 -4.971 24.246 1.00 0.00 N ATOM 1428 NH2 ARG A 93 16.437 -2.808 24.152 1.00 0.01 N ATOM 0 H ARG A 93 15.607 -6.274 19.218 1.00 0.01 H new ATOM 0 HA ARG A 93 17.185 -8.132 20.767 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.252 -7.273 20.807 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.951 -8.339 22.010 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.666 -6.589 22.567 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.973 -5.524 21.360 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.702 -5.902 22.660 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.719 -6.483 23.964 1.00 0.01 H new ATOM 0 HE ARG A 93 14.279 -3.714 23.383 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.860 -5.961 24.123 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.982 -4.685 24.606 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.728 -2.102 23.955 1.00 0.01 H new ATOM 0 HH22 ARG A 93 17.349 -2.528 24.513 1.00 0.01 H new ATOM 1442 N ASN A 94 14.892 -9.336 18.740 1.00 0.01 N ATOM 1443 CA ASN A 94 14.385 -10.605 18.133 1.00 0.01 C ATOM 1444 C ASN A 94 15.518 -11.357 17.431 1.00 0.01 C ATOM 1445 O ASN A 94 15.428 -12.545 17.196 1.00 0.01 O ATOM 1446 CB ASN A 94 13.292 -10.271 17.115 1.00 0.01 C ATOM 1447 CG ASN A 94 12.047 -9.773 17.848 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.783 -10.176 18.965 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.269 -8.899 17.272 1.00 0.01 N ATOM 0 H ASN A 94 14.500 -8.483 18.341 1.00 0.01 H new ATOM 0 HA ASN A 94 13.983 -11.239 18.923 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.647 -9.509 16.421 1.00 0.01 H new ATOM 0 HB3 ASN A 94 13.050 -11.154 16.523 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.441 -8.555 17.758 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.489 -8.560 16.335 1.00 0.01 H new ATOM 1456 N MET A 95 16.583 -10.686 17.090 1.00 0.01 N ATOM 1457 CA MET A 95 17.706 -11.385 16.402 1.00 0.01 C ATOM 1458 C MET A 95 18.227 -12.496 17.315 1.00 0.01 C ATOM 1459 O MET A 95 18.571 -13.571 16.866 1.00 0.01 O ATOM 1460 CB MET A 95 18.827 -10.391 16.102 1.00 0.01 C ATOM 1461 CG MET A 95 18.225 -9.143 15.466 1.00 0.01 C ATOM 1462 SD MET A 95 17.267 -9.593 14.003 1.00 0.01 S ATOM 1463 CE MET A 95 18.615 -9.464 12.814 1.00 0.01 C ATOM 0 H MET A 95 16.725 -9.690 17.256 1.00 0.01 H new ATOM 0 HA MET A 95 17.356 -11.813 15.463 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.354 -10.129 17.020 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.559 -10.840 15.431 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.586 -8.631 16.185 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.018 -8.447 15.191 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.207 -9.422 11.804 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.189 -8.559 13.012 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.266 -10.334 12.906 1.00 0.01 H new ATOM 1473 N LEU A 96 18.273 -12.248 18.595 1.00 0.01 N ATOM 1474 CA LEU A 96 18.748 -13.295 19.541 1.00 0.01 C ATOM 1475 C LEU A 96 17.723 -14.428 19.551 1.00 0.01 C ATOM 1476 O LEU A 96 18.048 -15.584 19.735 1.00 0.01 O ATOM 1477 CB LEU A 96 18.871 -12.705 20.949 1.00 0.01 C ATOM 1478 CG LEU A 96 20.071 -11.752 21.018 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.849 -10.552 20.087 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.239 -11.261 22.460 1.00 0.01 C ATOM 0 H LEU A 96 18.002 -11.364 19.026 1.00 0.01 H new ATOM 0 HA LEU A 96 19.724 -13.667 19.229 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.957 -12.171 21.209 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.991 -13.506 21.678 1.00 0.01 H new ATOM 0 HG LEU A 96 20.970 -12.281 20.700 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.708 -9.883 20.145 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.731 -10.904 19.062 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.950 -10.016 20.392 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.091 -10.583 22.517 1.00 0.01 H new ATOM 0 HD22 LEU A 96 19.336 -10.737 22.773 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.410 -12.114 23.117 1.00 0.01 H new ATOM 1492 N GLU A 97 16.479 -14.088 19.345 1.00 0.01 N ATOM 1493 CA GLU A 97 15.393 -15.111 19.328 1.00 0.01 C ATOM 1494 C GLU A 97 14.358 -14.697 18.273 1.00 0.01 C ATOM 1495 O GLU A 97 13.305 -14.189 18.603 1.00 0.01 O ATOM 1496 CB GLU A 97 14.721 -15.155 20.704 1.00 0.01 C ATOM 1497 CG GLU A 97 13.751 -16.336 20.765 1.00 0.01 C ATOM 1498 CD GLU A 97 13.030 -16.335 22.116 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.406 -15.543 22.965 1.00 0.01 O ATOM 1500 OE2 GLU A 97 12.115 -17.125 22.278 1.00 0.01 O ATOM 0 H GLU A 97 16.165 -13.131 19.185 1.00 0.01 H new ATOM 0 HA GLU A 97 15.801 -16.094 19.092 1.00 0.01 H new ATOM 0 HB2 GLU A 97 15.475 -15.250 21.485 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.187 -14.223 20.889 1.00 0.01 H new ATOM 0 HG2 GLU A 97 13.026 -16.267 19.954 1.00 0.01 H new ATOM 0 HG3 GLU A 97 14.292 -17.272 20.630 1.00 0.01 H new ATOM 1507 N PRO A 98 14.660 -14.894 17.009 1.00 0.01 N ATOM 1508 CA PRO A 98 13.721 -14.503 15.918 1.00 0.01 C ATOM 1509 C PRO A 98 12.406 -15.294 15.969 1.00 0.01 C ATOM 1510 O PRO A 98 12.385 -16.496 15.797 1.00 0.01 O ATOM 1511 CB PRO A 98 14.536 -14.819 14.644 1.00 0.00 C ATOM 1512 CG PRO A 98 15.959 -15.232 15.070 1.00 0.01 C ATOM 1513 CD PRO A 98 15.942 -15.518 16.579 1.00 0.01 C ATOM 0 HA PRO A 98 13.402 -13.463 15.982 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.061 -15.621 14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.573 -13.947 13.991 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.280 -16.116 14.519 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.670 -14.438 14.841 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.964 -16.587 16.790 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.799 -15.075 17.086 1.00 0.01 H new ATOM 1521 N THR A 99 11.312 -14.615 16.208 1.00 0.01 N ATOM 1522 CA THR A 99 9.981 -15.298 16.278 1.00 0.01 C ATOM 1523 C THR A 99 9.152 -14.918 15.052 1.00 0.01 C ATOM 1524 O THR A 99 9.530 -14.060 14.282 1.00 0.01 O ATOM 1525 CB THR A 99 9.243 -14.836 17.536 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.056 -13.429 17.480 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.063 -15.198 18.774 1.00 0.00 C ATOM 0 H THR A 99 11.283 -13.607 16.359 1.00 0.01 H new ATOM 0 HA THR A 99 10.127 -16.378 16.307 1.00 0.01 H new ATOM 0 HB THR A 99 8.273 -15.330 17.593 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.101 -13.222 17.561 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.536 -14.868 19.669 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.205 -16.278 18.814 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.035 -14.706 18.723 1.00 0.00 H new ATOM 1535 N ILE A 100 8.025 -15.551 14.866 1.00 0.00 N ATOM 1536 CA ILE A 100 7.172 -15.223 13.690 1.00 0.01 C ATOM 1537 C ILE A 100 6.544 -13.840 13.892 1.00 0.01 C ATOM 1538 O ILE A 100 6.124 -13.194 12.954 1.00 0.01 O ATOM 1539 CB ILE A 100 6.070 -16.285 13.554 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.353 -16.123 12.203 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.052 -16.124 14.688 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.275 -16.530 11.042 1.00 0.01 C ATOM 0 H ILE A 100 7.659 -16.281 15.478 1.00 0.00 H new ATOM 0 HA ILE A 100 7.776 -15.213 12.783 1.00 0.01 H new ATOM 0 HB ILE A 100 6.524 -17.275 13.609 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.452 -16.736 12.189 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.037 -15.088 12.076 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.273 -16.879 14.587 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.554 -16.246 15.648 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.604 -15.132 14.637 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.746 -16.407 10.097 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.164 -15.899 11.045 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.570 -17.573 11.160 1.00 0.01 H new ATOM 1554 N THR A 101 6.481 -13.382 15.117 1.00 0.00 N ATOM 1555 CA THR A 101 5.883 -12.040 15.393 1.00 0.01 C ATOM 1556 C THR A 101 6.999 -10.996 15.459 1.00 0.01 C ATOM 1557 O THR A 101 6.785 -9.860 15.835 1.00 0.01 O ATOM 1558 CB THR A 101 5.144 -12.075 16.733 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.064 -12.396 17.769 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.039 -13.131 16.684 1.00 0.01 C ATOM 0 H THR A 101 6.819 -13.881 15.940 1.00 0.00 H new ATOM 0 HA THR A 101 5.183 -11.782 14.598 1.00 0.01 H new ATOM 0 HB THR A 101 4.699 -11.099 16.929 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.594 -12.418 18.629 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.515 -13.154 17.639 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.335 -12.884 15.889 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.479 -14.109 16.488 1.00 0.01 H new ATOM 1568 N CYS A 102 8.192 -11.383 15.104 1.00 0.00 N ATOM 1569 CA CYS A 102 9.343 -10.436 15.153 1.00 0.00 C ATOM 1570 C CYS A 102 9.076 -9.211 14.268 1.00 0.01 C ATOM 1571 O CYS A 102 9.059 -8.092 14.739 1.00 0.01 O ATOM 1572 CB CYS A 102 10.599 -11.160 14.657 1.00 0.00 C ATOM 1573 SG CYS A 102 11.911 -9.959 14.317 1.00 0.01 S ATOM 0 H CYS A 102 8.422 -12.322 14.779 1.00 0.00 H new ATOM 0 HA CYS A 102 9.482 -10.096 16.179 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.936 -11.877 15.406 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.370 -11.726 13.754 1.00 0.00 H new ATOM 0 HG CYS A 102 11.954 -9.713 13.041 1.00 0.01 H new ATOM 1579 N PHE A 103 8.894 -9.407 12.988 1.00 0.00 N ATOM 1580 CA PHE A 103 8.661 -8.244 12.076 1.00 0.01 C ATOM 1581 C PHE A 103 7.164 -7.959 11.929 1.00 0.01 C ATOM 1582 O PHE A 103 6.773 -7.012 11.275 1.00 0.00 O ATOM 1583 CB PHE A 103 9.254 -8.559 10.702 1.00 0.00 C ATOM 1584 CG PHE A 103 10.762 -8.535 10.788 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.460 -9.686 11.158 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.462 -7.362 10.487 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.857 -9.668 11.231 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.859 -7.340 10.559 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.558 -8.495 10.931 1.00 0.00 C ATOM 0 H PHE A 103 8.896 -10.320 12.534 1.00 0.00 H new ATOM 0 HA PHE A 103 9.141 -7.363 12.502 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.914 -9.537 10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.909 -7.830 9.969 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.920 -10.593 11.388 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.923 -6.472 10.198 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.394 -10.560 11.519 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.398 -6.433 10.328 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.636 -8.480 10.986 1.00 0.00 H new ATOM 1599 N ASP A 104 6.317 -8.751 12.527 1.00 0.01 N ATOM 1600 CA ASP A 104 4.858 -8.478 12.403 1.00 0.01 C ATOM 1601 C ASP A 104 4.563 -7.108 13.008 1.00 0.00 C ATOM 1602 O ASP A 104 3.781 -6.339 12.486 1.00 0.01 O ATOM 1603 CB ASP A 104 4.055 -9.543 13.149 1.00 0.01 C ATOM 1604 CG ASP A 104 4.163 -10.873 12.404 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.803 -10.894 11.367 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.598 -11.845 12.879 1.00 0.00 O ATOM 0 H ASP A 104 6.567 -9.565 13.089 1.00 0.01 H new ATOM 0 HA ASP A 104 4.574 -8.497 11.351 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.431 -9.652 14.166 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.011 -9.240 13.226 1.00 0.01 H new ATOM 1611 N GLU A 105 5.196 -6.796 14.106 1.00 0.00 N ATOM 1612 CA GLU A 105 4.968 -5.476 14.748 1.00 0.00 C ATOM 1613 C GLU A 105 5.429 -4.379 13.790 1.00 0.00 C ATOM 1614 O GLU A 105 4.828 -3.328 13.701 1.00 0.01 O ATOM 1615 CB GLU A 105 5.767 -5.395 16.054 1.00 0.00 C ATOM 1616 CG GLU A 105 5.477 -4.068 16.766 1.00 0.00 C ATOM 1617 CD GLU A 105 4.006 -4.016 17.188 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.385 -5.064 17.231 1.00 0.01 O ATOM 1619 OE2 GLU A 105 3.529 -2.928 17.462 1.00 0.00 O ATOM 0 H GLU A 105 5.862 -7.402 14.585 1.00 0.00 H new ATOM 0 HA GLU A 105 3.909 -5.348 14.973 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.504 -6.230 16.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.833 -5.479 15.843 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.119 -3.966 17.641 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.705 -3.232 16.104 1.00 0.00 H new ATOM 1626 N ALA A 106 6.495 -4.610 13.070 1.00 0.00 N ATOM 1627 CA ALA A 106 6.986 -3.570 12.124 1.00 0.00 C ATOM 1628 C ALA A 106 5.987 -3.419 10.978 1.00 0.00 C ATOM 1629 O ALA A 106 5.667 -2.321 10.569 1.00 0.00 O ATOM 1630 CB ALA A 106 8.348 -3.980 11.565 1.00 0.00 C ATOM 0 H ALA A 106 7.043 -5.470 13.097 1.00 0.00 H new ATOM 0 HA ALA A 106 7.087 -2.621 12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.703 -3.216 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.060 -4.087 12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.254 -4.930 11.039 1.00 0.00 H new ATOM 1636 N GLN A 107 5.468 -4.505 10.469 1.00 0.00 N ATOM 1637 CA GLN A 107 4.472 -4.389 9.371 1.00 0.00 C ATOM 1638 C GLN A 107 3.285 -3.585 9.893 1.00 0.00 C ATOM 1639 O GLN A 107 2.726 -2.756 9.201 1.00 0.00 O ATOM 1640 CB GLN A 107 4.003 -5.774 8.913 1.00 0.00 C ATOM 1641 CG GLN A 107 2.983 -5.601 7.786 1.00 0.00 C ATOM 1642 CD GLN A 107 2.701 -6.949 7.121 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.521 -7.844 7.164 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.567 -7.131 6.500 1.00 0.00 N ATOM 0 H GLN A 107 5.689 -5.456 10.764 1.00 0.00 H new ATOM 0 HA GLN A 107 4.926 -3.891 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.851 -6.364 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.556 -6.316 9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.058 -5.182 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.362 -4.894 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.879 -6.379 6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.369 -8.025 6.051 1.00 0.00 H new ATOM 1653 N LYS A 108 2.897 -3.821 11.119 1.00 0.00 N ATOM 1654 CA LYS A 108 1.751 -3.067 11.698 1.00 0.00 C ATOM 1655 C LYS A 108 2.089 -1.577 11.683 1.00 0.00 C ATOM 1656 O LYS A 108 1.255 -0.741 11.392 1.00 0.00 O ATOM 1657 CB LYS A 108 1.530 -3.510 13.146 1.00 0.00 C ATOM 1658 CG LYS A 108 0.242 -2.884 13.678 1.00 0.00 C ATOM 1659 CD LYS A 108 0.039 -3.291 15.138 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.291 -2.730 15.642 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.413 -3.500 15.035 1.00 0.00 N ATOM 0 H LYS A 108 3.326 -4.504 11.743 1.00 0.00 H new ATOM 0 HA LYS A 108 0.850 -3.258 11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.468 -4.597 13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.376 -3.208 13.763 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.293 -1.798 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.608 -3.210 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.046 -4.377 15.228 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.860 -2.915 15.749 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.337 -2.794 16.729 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.376 -1.675 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.285 -3.328 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.550 -3.195 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.188 -4.515 15.055 1.00 0.00 H new ATOM 1675 N LYS A 109 3.311 -1.239 11.990 1.00 0.01 N ATOM 1676 CA LYS A 109 3.715 0.192 11.988 1.00 0.00 C ATOM 1677 C LYS A 109 3.614 0.737 10.565 1.00 0.00 C ATOM 1678 O LYS A 109 3.200 1.860 10.351 1.00 0.00 O ATOM 1679 CB LYS A 109 5.160 0.327 12.485 1.00 0.00 C ATOM 1680 CG LYS A 109 5.260 -0.061 13.968 1.00 0.00 C ATOM 1681 CD LYS A 109 4.583 0.998 14.854 1.00 0.01 C ATOM 1682 CE LYS A 109 5.063 0.844 16.302 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.092 1.512 17.214 1.00 0.01 N ATOM 0 H LYS A 109 4.049 -1.896 12.243 1.00 0.01 H new ATOM 0 HA LYS A 109 3.057 0.756 12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.815 -0.311 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.503 1.352 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.789 -1.031 14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.307 -0.164 14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.818 1.997 14.487 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.500 0.888 14.806 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.153 -0.212 16.558 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.053 1.286 16.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.413 1.410 18.198 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.028 2.522 16.973 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.156 1.071 17.108 1.00 0.01 H new ATOM 1697 N ILE A 110 3.991 -0.040 9.586 1.00 0.00 N ATOM 1698 CA ILE A 110 3.910 0.465 8.190 1.00 0.00 C ATOM 1699 C ILE A 110 2.440 0.636 7.823 1.00 0.00 C ATOM 1700 O ILE A 110 2.059 1.619 7.230 1.00 0.00 O ATOM 1701 CB ILE A 110 4.557 -0.531 7.218 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.042 -0.750 7.567 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.440 0.016 5.789 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.779 0.588 7.692 1.00 0.00 C ATOM 0 H ILE A 110 4.347 -0.990 9.692 1.00 0.00 H new ATOM 0 HA ILE A 110 4.439 1.415 8.120 1.00 0.00 H new ATOM 0 HB ILE A 110 4.041 -1.488 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.122 -1.302 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.515 -1.359 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.898 -0.686 5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.388 0.147 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.951 0.977 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.825 0.406 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.718 1.127 6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.319 1.185 8.480 1.00 0.00 H new ATOM 1716 N PHE A 111 1.600 -0.294 8.190 1.00 0.00 N ATOM 1717 CA PHE A 111 0.158 -0.143 7.860 1.00 0.00 C ATOM 1718 C PHE A 111 -0.326 1.162 8.490 1.00 0.00 C ATOM 1719 O PHE A 111 -1.043 1.933 7.884 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.634 -1.341 8.439 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.894 -2.374 7.360 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.170 -2.876 6.604 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.201 -2.822 7.111 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.069 -3.825 5.604 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.437 -3.769 6.111 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.375 -4.268 5.358 1.00 0.00 C ATOM 0 H PHE A 111 1.848 -1.143 8.699 1.00 0.00 H new ATOM 0 HA PHE A 111 0.007 -0.120 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.074 -1.794 9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.580 -0.993 8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.176 -2.531 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.024 -2.435 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.753 -4.216 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.442 -4.115 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.560 -4.998 4.583 1.00 0.00 H new ATOM 1736 N ASN A 112 0.075 1.419 9.699 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.342 2.675 10.371 1.00 0.00 C ATOM 1738 C ASN A 112 0.199 3.876 9.594 1.00 0.00 C ATOM 1739 O ASN A 112 -0.464 4.879 9.445 1.00 0.00 O ATOM 1740 CB ASN A 112 0.228 2.695 11.789 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.436 1.595 12.618 1.00 0.00 C ATOM 1742 OD1 ASN A 112 0.216 0.933 13.402 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.713 1.368 12.479 1.00 0.00 N ATOM 0 H ASN A 112 0.677 0.810 10.254 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.430 2.727 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.307 2.544 11.761 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.054 3.668 12.249 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.164 0.636 13.028 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.261 1.923 11.822 1.00 0.00 H new ATOM 1750 N LEU A 113 1.409 3.785 9.112 1.00 0.00 N ATOM 1751 CA LEU A 113 2.010 4.929 8.363 1.00 0.00 C ATOM 1752 C LEU A 113 1.194 5.235 7.105 1.00 0.00 C ATOM 1753 O LEU A 113 0.703 6.333 6.929 1.00 0.00 O ATOM 1754 CB LEU A 113 3.448 4.559 7.975 1.00 0.00 C ATOM 1755 CG LEU A 113 4.075 5.657 7.105 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.994 7.011 7.825 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.543 5.301 6.842 1.00 0.00 C ATOM 0 H LEU A 113 2.010 2.966 9.204 1.00 0.00 H new ATOM 0 HA LEU A 113 2.008 5.818 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.047 4.414 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.452 3.613 7.434 1.00 0.00 H new ATOM 0 HG LEU A 113 3.533 5.729 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.442 7.783 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.950 7.259 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.533 6.953 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.000 6.074 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.076 5.232 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.598 4.343 6.324 1.00 0.00 H new ATOM 1769 N MET A 114 1.044 4.285 6.227 1.00 0.00 N ATOM 1770 CA MET A 114 0.259 4.543 4.988 1.00 0.00 C ATOM 1771 C MET A 114 -1.221 4.750 5.343 1.00 0.00 C ATOM 1772 O MET A 114 -1.889 5.593 4.778 1.00 0.00 O ATOM 1773 CB MET A 114 0.428 3.364 4.009 1.00 0.00 C ATOM 1774 CG MET A 114 0.437 2.029 4.771 1.00 0.00 C ATOM 1775 SD MET A 114 -0.232 0.710 3.710 1.00 0.00 S ATOM 1776 CE MET A 114 1.305 0.060 2.993 1.00 0.00 C ATOM 0 H MET A 114 1.429 3.344 6.312 1.00 0.00 H new ATOM 0 HA MET A 114 0.627 5.448 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.383 3.369 3.281 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.357 3.477 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.453 1.781 5.078 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.158 2.114 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.197 -0.020 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.129 0.734 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.513 -0.925 3.410 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.744 3.985 6.264 1.00 0.00 N ATOM 1787 CA GLU A 115 -3.182 4.140 6.635 1.00 0.00 C ATOM 1788 C GLU A 115 -3.433 5.503 7.302 1.00 0.00 C ATOM 1789 O GLU A 115 -4.442 6.138 7.081 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.580 3.029 7.607 1.00 0.00 C ATOM 1791 CG GLU A 115 -5.097 3.039 7.802 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.482 1.974 8.831 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.589 1.305 9.324 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.664 1.845 9.107 1.00 0.01 O ATOM 0 H GLU A 115 -1.239 3.261 6.775 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.780 4.078 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.259 2.062 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.079 3.172 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.425 4.022 8.139 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.598 2.843 6.854 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.546 5.950 8.146 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.768 7.261 8.831 1.00 0.00 C ATOM 1803 C LYS A 116 -2.306 8.428 7.953 1.00 0.01 C ATOM 1804 O LYS A 116 -2.724 9.553 8.145 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.990 7.285 10.144 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.571 6.230 11.087 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.803 6.241 12.408 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.391 5.183 13.345 1.00 0.00 C ATOM 1809 NZ LYS A 116 -2.400 3.859 12.660 1.00 0.00 N ATOM 0 H LYS A 116 -1.680 5.470 8.393 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.836 7.371 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.934 7.085 9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.052 8.273 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.627 6.432 11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.509 5.244 10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.747 6.038 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.865 7.227 12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.803 5.126 14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.404 5.461 13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.114 3.119 13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.358 3.657 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.734 3.877 11.861 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.420 8.182 7.016 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.897 9.295 6.152 1.00 0.00 C ATOM 1825 C ASP A 117 -1.359 9.150 4.697 1.00 0.00 C ATOM 1826 O ASP A 117 -2.051 9.999 4.171 1.00 0.00 O ATOM 1827 CB ASP A 117 0.632 9.262 6.187 1.00 0.00 C ATOM 1828 CG ASP A 117 1.187 10.481 5.450 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.450 11.067 4.675 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.342 10.806 5.670 1.00 0.00 O ATOM 0 H ASP A 117 -1.035 7.260 6.811 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.283 10.238 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.982 9.258 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.997 8.346 5.722 1.00 0.00 H new ATOM 1835 N SER A 118 -0.946 8.108 4.030 1.00 0.00 N ATOM 1836 CA SER A 118 -1.322 7.946 2.593 1.00 0.00 C ATOM 1837 C SER A 118 -2.842 7.860 2.405 1.00 0.00 C ATOM 1838 O SER A 118 -3.378 8.418 1.469 1.00 0.01 O ATOM 1839 CB SER A 118 -0.671 6.678 2.040 1.00 0.00 C ATOM 1840 OG SER A 118 -1.402 5.542 2.477 1.00 0.00 O ATOM 0 H SER A 118 -0.366 7.362 4.414 1.00 0.00 H new ATOM 0 HA SER A 118 -0.968 8.824 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.649 6.713 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.363 6.610 2.378 1.00 0.00 H new ATOM 0 HG SER A 118 -1.754 5.706 3.377 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.546 7.160 3.256 1.00 0.01 N ATOM 1847 CA TYR A 119 -5.028 7.048 3.068 1.00 0.00 C ATOM 1848 C TYR A 119 -5.678 8.434 3.111 1.00 0.01 C ATOM 1849 O TYR A 119 -6.420 8.802 2.222 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.621 6.146 4.173 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.149 4.860 3.575 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.320 4.085 2.762 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.463 4.452 3.829 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.805 2.903 2.201 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.944 3.265 3.265 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.112 2.494 2.452 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.578 1.324 1.897 1.00 0.00 O ATOM 0 H TYR A 119 -3.168 6.666 4.064 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.231 6.604 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.857 5.922 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.424 6.672 4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.305 4.400 2.568 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.104 5.051 4.458 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.165 2.304 1.570 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.958 2.946 3.459 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.501 1.451 1.594 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.421 9.204 4.127 1.00 0.00 N ATOM 1868 CA ARG A 120 -6.050 10.549 4.183 1.00 0.01 C ATOM 1869 C ARG A 120 -5.599 11.335 2.958 1.00 0.00 C ATOM 1870 O ARG A 120 -6.372 12.040 2.337 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.623 11.287 5.459 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.050 10.496 6.708 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.577 10.522 6.884 1.00 0.00 C ATOM 1874 NE ARG A 120 -8.103 11.917 6.694 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.687 12.915 7.426 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.907 12.705 8.450 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -8.095 14.126 7.161 1.00 0.01 N ATOM 0 H ARG A 120 -4.812 8.966 4.910 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.135 10.449 4.194 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.542 11.426 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.072 12.280 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.708 9.464 6.624 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.572 10.919 7.591 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -8.044 9.849 6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.841 10.159 7.877 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.804 12.089 5.973 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -6.617 11.755 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.587 13.490 9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.736 14.290 6.385 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.773 14.909 7.730 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.355 11.207 2.586 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.879 11.940 1.390 1.00 0.01 C ATOM 1893 C ARG A 121 -4.512 11.324 0.145 1.00 0.01 C ATOM 1894 O ARG A 121 -4.919 12.022 -0.753 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.355 11.832 1.277 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.672 12.532 2.464 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.707 14.062 2.300 1.00 0.00 C ATOM 1898 NE ARG A 121 -1.280 14.454 0.913 1.00 0.01 N ATOM 1899 CZ ARG A 121 -0.120 14.102 0.424 1.00 0.01 C ATOM 1900 NH1 ARG A 121 0.776 13.538 1.187 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.162 14.363 -0.823 1.00 0.01 N ATOM 0 H ARG A 121 -3.657 10.631 3.056 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.159 12.990 1.479 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -2.061 10.783 1.249 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -2.022 12.282 0.342 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.171 12.251 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.638 12.195 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.714 14.431 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.049 14.527 3.034 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.913 15.010 0.338 1.00 0.01 H new ATOM 0 HH11 ARG A 121 0.573 13.369 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.679 13.266 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.521 14.840 -1.411 1.00 0.01 H new ATOM 0 HH22 ARG A 121 1.066 14.090 -1.209 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.613 10.022 0.084 1.00 0.01 N ATOM 1916 CA PHE A 122 -5.232 9.398 -1.118 1.00 0.01 C ATOM 1917 C PHE A 122 -6.668 9.894 -1.258 1.00 0.01 C ATOM 1918 O PHE A 122 -7.067 10.344 -2.301 1.00 0.01 O ATOM 1919 CB PHE A 122 -5.194 7.854 -1.001 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.094 7.304 -1.880 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.289 7.249 -3.263 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.885 6.870 -1.324 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.281 6.757 -4.092 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.873 6.378 -2.155 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.071 6.322 -3.540 1.00 0.00 C ATOM 0 H PHE A 122 -4.298 9.373 0.805 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.669 9.682 -2.007 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -5.025 7.562 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -6.155 7.433 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.221 7.588 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.734 6.915 -0.256 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.434 6.712 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.940 6.042 -1.729 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.290 5.943 -4.182 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.449 9.840 -0.227 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.843 10.334 -0.367 1.00 0.00 C ATOM 1937 C LEU A 123 -8.793 11.808 -0.766 1.00 0.01 C ATOM 1938 O LEU A 123 -9.727 12.335 -1.339 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.596 10.174 0.956 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.694 8.688 1.334 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.414 8.557 2.681 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.476 7.913 0.253 1.00 0.01 C ATOM 0 H LEU A 123 -7.193 9.483 0.693 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.367 9.757 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.082 10.724 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.595 10.601 0.868 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.690 8.271 1.409 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.486 7.504 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.853 9.093 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.415 8.981 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.538 6.861 0.533 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.481 8.325 0.165 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.962 8.004 -0.704 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.704 12.477 -0.470 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.570 13.927 -0.829 1.00 0.01 C ATOM 1956 C LYS A 124 -6.423 14.127 -1.835 1.00 0.01 C ATOM 1957 O LYS A 124 -5.889 15.210 -1.961 1.00 0.01 O ATOM 1958 CB LYS A 124 -7.276 14.717 0.445 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.523 14.699 1.335 1.00 0.01 C ATOM 1960 CD LYS A 124 -8.269 15.485 2.629 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.481 14.629 3.633 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.178 13.328 3.844 1.00 0.01 N ATOM 0 H LYS A 124 -6.896 12.079 0.008 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.496 14.276 -1.287 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.429 14.280 0.973 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -7.003 15.743 0.198 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.367 15.133 0.798 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.792 13.670 1.574 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.714 16.396 2.405 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.219 15.790 3.069 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -6.471 14.455 3.262 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -7.386 15.159 4.581 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -7.963 12.970 4.796 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.205 13.465 3.749 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.853 12.641 3.134 1.00 0.01 H new ATOM 1976 N SER A 125 -6.032 13.098 -2.549 1.00 0.00 N ATOM 1977 CA SER A 125 -4.912 13.255 -3.538 1.00 0.01 C ATOM 1978 C SER A 125 -5.480 13.589 -4.919 1.00 0.01 C ATOM 1979 O SER A 125 -6.621 13.301 -5.221 1.00 0.01 O ATOM 1980 CB SER A 125 -4.109 11.956 -3.632 1.00 0.01 C ATOM 1981 OG SER A 125 -4.974 10.896 -4.010 1.00 0.01 O ATOM 0 H SER A 125 -6.435 12.163 -2.493 1.00 0.00 H new ATOM 0 HA SER A 125 -4.262 14.063 -3.202 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.306 12.063 -4.361 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.641 11.734 -2.673 1.00 0.01 H new ATOM 0 HG SER A 125 -5.656 10.768 -3.318 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.685 14.196 -5.761 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.164 14.549 -7.129 1.00 0.01 C ATOM 1989 C ARG A 126 -5.490 13.277 -7.914 1.00 0.00 C ATOM 1990 O ARG A 126 -6.517 13.181 -8.558 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.070 15.330 -7.865 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.519 15.623 -9.301 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.517 16.565 -9.966 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.813 16.662 -11.435 1.00 0.00 N ATOM 1995 CZ ARG A 126 -3.763 15.614 -12.213 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -3.315 14.476 -11.760 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -4.123 15.712 -13.463 1.00 0.01 N ATOM 0 H ARG A 126 -3.722 14.463 -5.559 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.063 15.160 -7.045 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.862 16.263 -7.342 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.144 14.756 -7.874 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.592 14.694 -9.867 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -5.511 16.074 -9.298 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -3.572 17.553 -9.508 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.502 16.199 -9.813 1.00 0.01 H new ATOM 0 HE ARG A 126 -4.059 17.568 -11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.001 14.400 -10.793 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -3.279 13.662 -12.373 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -4.443 16.607 -13.833 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -4.084 14.894 -14.071 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.618 12.307 -7.884 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.876 11.053 -8.645 1.00 0.01 C ATOM 2013 C PHE A 127 -6.165 10.413 -8.141 1.00 0.01 C ATOM 2014 O PHE A 127 -6.993 9.966 -8.908 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.710 10.082 -8.442 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.450 10.675 -9.028 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.124 10.438 -10.369 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.609 11.461 -8.232 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.956 10.989 -10.912 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.442 12.011 -8.776 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.116 11.774 -10.117 1.00 0.00 C ATOM 0 H PHE A 127 -3.739 12.329 -7.366 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.974 11.284 -9.706 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.570 9.882 -7.380 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.931 9.127 -8.919 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.772 9.831 -10.984 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.860 11.643 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.704 10.807 -11.946 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.207 12.618 -8.162 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.784 12.198 -10.537 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.340 10.369 -6.854 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.572 9.761 -6.288 1.00 0.01 C ATOM 2033 C TYR A 128 -8.801 10.511 -6.789 1.00 0.01 C ATOM 2034 O TYR A 128 -9.764 9.922 -7.206 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.514 9.852 -4.769 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.754 9.241 -4.155 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.787 7.871 -3.871 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.863 10.044 -3.855 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.927 7.303 -3.291 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.003 9.475 -3.273 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.035 8.104 -2.992 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.159 7.543 -2.423 1.00 0.01 O ATOM 0 H TYR A 128 -5.680 10.730 -6.165 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.638 8.719 -6.600 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.627 9.336 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.426 10.895 -4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.932 7.252 -4.100 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.839 11.102 -4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.952 6.245 -3.074 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.857 10.094 -3.041 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.835 8.238 -2.279 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.784 11.807 -6.750 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.979 12.560 -7.220 1.00 0.01 C ATOM 2054 C LEU A 129 -10.239 12.221 -8.689 1.00 0.01 C ATOM 2055 O LEU A 129 -11.345 11.895 -9.072 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.719 14.061 -7.066 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.674 14.427 -5.573 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -9.171 15.866 -5.421 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -11.077 14.294 -4.939 1.00 0.01 C ATOM 0 H LEU A 129 -8.006 12.376 -6.418 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.852 12.285 -6.628 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.777 14.328 -7.545 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.503 14.629 -7.566 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.997 13.743 -5.060 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -9.137 16.130 -4.364 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -8.171 15.949 -5.848 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.846 16.544 -5.943 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -11.025 14.557 -3.882 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.771 14.965 -5.446 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.426 13.266 -5.040 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.233 12.284 -9.515 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.432 11.950 -10.955 1.00 0.91 C ATOM 2073 C ASP A 130 -9.866 10.491 -11.092 1.00 1.05 C ATOM 2074 O ASP A 130 -10.821 10.179 -11.774 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.122 12.164 -11.714 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.812 13.658 -11.800 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.720 14.445 -11.582 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -6.675 13.992 -12.086 1.00 3.77 O ATOM 0 H ASP A 130 -8.283 12.552 -9.258 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.205 12.597 -11.370 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.309 11.643 -11.209 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.198 11.741 -12.716 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.177 9.594 -10.442 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.557 8.158 -10.530 1.00 1.68 C ATOM 2085 C LEU A 131 -10.874 7.972 -9.783 1.00 2.00 C ATOM 2086 O LEU A 131 -11.713 7.179 -10.158 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.466 7.296 -9.884 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.150 7.448 -10.663 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.027 6.737 -9.900 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.287 6.837 -12.070 1.00 3.54 C ATOM 0 H LEU A 131 -8.368 9.794 -9.854 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.668 7.856 -11.572 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.321 7.595 -8.846 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.774 6.251 -9.874 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.915 8.508 -10.764 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.091 6.842 -10.449 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.920 7.183 -8.911 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.270 5.680 -9.797 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.347 6.952 -12.610 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.529 5.778 -11.985 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.082 7.348 -12.613 1.00 3.54 H new ATOM 2102 N THR A 132 -11.054 8.724 -8.729 1.00 2.68 N ATOM 2103 CA THR A 132 -12.301 8.656 -7.925 1.00 3.30 C ATOM 2104 C THR A 132 -12.979 10.025 -7.992 1.00 3.72 C ATOM 2105 O THR A 132 -12.704 10.914 -7.212 1.00 3.94 O ATOM 2106 CB THR A 132 -11.958 8.321 -6.463 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.561 9.504 -5.792 1.00 4.04 O ATOM 2108 CG2 THR A 132 -10.803 7.303 -6.399 1.00 4.63 C ATOM 0 H THR A 132 -10.369 9.398 -8.387 1.00 2.68 H new ATOM 0 HA THR A 132 -12.963 7.883 -8.315 1.00 3.30 H new ATOM 0 HB THR A 132 -12.840 7.892 -5.987 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.936 9.278 -5.072 1.00 4.04 H new ATOM 0 HG21 THR A 132 -10.574 7.078 -5.357 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.096 6.387 -6.912 1.00 4.63 H new ATOM 0 HG23 THR A 132 -9.921 7.723 -6.882 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.852 10.206 -8.929 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.538 11.519 -9.064 1.00 4.82 C ATOM 2118 C ASN A 133 -15.547 11.671 -7.908 1.00 5.34 C ATOM 2119 O ASN A 133 -16.053 10.687 -7.414 1.00 5.43 O ATOM 2120 CB ASN A 133 -15.277 11.542 -10.407 1.00 5.42 C ATOM 2121 CG ASN A 133 -14.257 11.604 -11.545 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -14.066 12.641 -12.151 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -13.588 10.530 -11.864 1.00 6.48 N ATOM 0 H ASN A 133 -14.125 9.501 -9.614 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.819 12.338 -9.026 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.898 10.652 -10.508 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.944 12.403 -10.454 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -12.905 10.561 -12.621 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.748 9.660 -11.356 1.00 6.48 H new TER 2130 ASN A 133