USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1374 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 75 LYS NZ :NH3+ -168:sc= -1.86! (180deg=-2.38!) USER MOD Set 1.2: B 526 CYS SG : rot -78:sc= -1.33! USER MOD Set 1.3: B 527 MET CE :methyl 172:sc= -0.797 (180deg=-1.39) USER MOD Set 2.1: A 36 MET CE :methyl -116:sc= -2.02! (180deg=-3.2!) USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -2.1 F(o=-4.8!,f=-4.1) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.389 F(o=-1.8,f=-0.39) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0129) USER MOD Single : A 17 SER OG : rot -35:sc= 0.0889 USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= 0.43 (180deg=-0.547) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.327 USER MOD Single : A 28 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 29 THR OG1 : rot -140:sc= -3.1! USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= -2.13! (180deg=-4.78!) USER MOD Single : A 34 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.856 USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 51 MET CE :methyl -166:sc= -0.129 (180deg=-0.773) USER MOD Single : A 53 ASN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.86!) USER MOD Single : A 62 THR OG1 : rot 115:sc= 0.542 USER MOD Single : A 70 THR OG1 : rot -16:sc= -1.36 USER MOD Single : A 71 MET CE :methyl -161:sc= 0 (180deg=-0.423) USER MOD Single : A 72 MET CE :methyl -147:sc= 0 (180deg=-0.00178) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= -0.638 (180deg=-1.58) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0383 USER MOD Single : A 101 SER OG : rot 125:sc= 0.0196 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 163:sc= -0.191 (180deg=-0.601) USER MOD Single : A 110 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 111 ASN :FLIP amide:sc= 0.895 F(o=-0.3,f=0.89) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.53) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.000532 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -165:sc= 0 (180deg=-0.194) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 157:sc= -2.57! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ -105:sc= 0.104 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 140:sc= 0.0785 (180deg=-0.913) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.659 -18.597 2.598 1.00 7.80 N ATOM 2 CA ALA A 1 -7.153 -19.327 3.796 1.00 7.39 C ATOM 3 C ALA A 1 -6.158 -19.237 4.954 1.00 6.58 C ATOM 4 O ALA A 1 -6.558 -19.043 6.105 1.00 6.72 O ATOM 5 CB ALA A 1 -7.433 -20.783 3.447 1.00 7.99 C ATOM 0 H1 ALA A 1 -7.398 -18.590 1.866 1.00 7.80 H new ATOM 0 H2 ALA A 1 -6.423 -17.619 2.860 1.00 7.80 H new ATOM 0 H3 ALA A 1 -5.810 -19.071 2.228 1.00 7.80 H new ATOM 0 HA ALA A 1 -8.081 -18.855 4.118 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -7.794 -21.306 4.332 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -8.190 -20.830 2.664 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -6.516 -21.256 3.095 1.00 7.99 H new ATOM 13 N ASP A 2 -4.864 -19.380 4.637 1.00 6.04 N ATOM 14 CA ASP A 2 -3.800 -19.317 5.642 1.00 5.55 C ATOM 15 C ASP A 2 -3.136 -17.943 5.646 1.00 4.87 C ATOM 16 O ASP A 2 -3.039 -17.290 4.602 1.00 5.13 O ATOM 17 CB ASP A 2 -2.751 -20.403 5.383 1.00 5.87 C ATOM 18 CG ASP A 2 -3.272 -21.799 5.671 1.00 6.52 C ATOM 19 OD1 ASP A 2 -3.134 -22.257 6.825 1.00 7.04 O ATOM 20 OD2 ASP A 2 -3.818 -22.432 4.743 1.00 6.78 O ATOM 0 H ASP A 2 -4.530 -19.541 3.687 1.00 6.04 H new ATOM 0 HA ASP A 2 -4.251 -19.487 6.619 1.00 5.55 H new ATOM 0 HB2 ASP A 2 -2.425 -20.348 4.344 1.00 5.87 H new ATOM 0 HB3 ASP A 2 -1.875 -20.211 6.002 1.00 5.87 H new ATOM 25 N GLN A 3 -2.681 -17.517 6.829 1.00 4.34 N ATOM 26 CA GLN A 3 -2.022 -16.219 6.991 1.00 3.83 C ATOM 27 C GLN A 3 -0.652 -16.376 7.646 1.00 2.55 C ATOM 28 O GLN A 3 -0.440 -17.294 8.443 1.00 2.57 O ATOM 29 CB GLN A 3 -2.892 -15.276 7.830 1.00 4.64 C ATOM 30 CG GLN A 3 -4.109 -14.738 7.092 1.00 5.89 C ATOM 31 CD GLN A 3 -4.957 -13.824 7.955 1.00 6.86 C ATOM 32 OE1 GLN A 3 -4.647 -12.533 7.932 1.00 7.41 O flip ATOM 33 NE2 GLN A 3 -5.878 -14.274 8.636 1.00 7.35 N flip ATOM 0 H GLN A 3 -2.758 -18.056 7.692 1.00 4.34 H new ATOM 0 HA GLN A 3 -1.884 -15.790 5.998 1.00 3.83 H new ATOM 0 HB2 GLN A 3 -3.225 -15.804 8.723 1.00 4.64 H new ATOM 0 HB3 GLN A 3 -2.282 -14.437 8.165 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -3.781 -14.194 6.206 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -4.718 -15.573 6.746 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -6.081 -15.274 8.623 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -6.439 -13.647 9.213 1.00 7.35 H new ATOM 42 N LEU A 4 0.269 -15.469 7.299 1.00 2.09 N ATOM 43 CA LEU A 4 1.629 -15.486 7.845 1.00 1.43 C ATOM 44 C LEU A 4 1.749 -14.525 9.034 1.00 1.51 C ATOM 45 O LEU A 4 0.737 -14.208 9.668 1.00 1.86 O ATOM 46 CB LEU A 4 2.649 -15.148 6.736 1.00 2.32 C ATOM 47 CG LEU A 4 2.743 -16.160 5.584 1.00 2.86 C ATOM 48 CD1 LEU A 4 3.219 -15.474 4.314 1.00 3.65 C ATOM 49 CD2 LEU A 4 3.680 -17.308 5.944 1.00 3.75 C ATOM 0 H LEU A 4 0.095 -14.711 6.639 1.00 2.09 H new ATOM 0 HA LEU A 4 1.850 -16.488 8.214 1.00 1.43 H new ATOM 0 HB2 LEU A 4 2.394 -14.174 6.319 1.00 2.32 H new ATOM 0 HB3 LEU A 4 3.634 -15.052 7.192 1.00 2.32 H new ATOM 0 HG LEU A 4 1.748 -16.570 5.411 1.00 2.86 H new ATOM 0 HD11 LEU A 4 3.280 -16.204 3.507 1.00 3.65 H new ATOM 0 HD12 LEU A 4 2.515 -14.688 4.039 1.00 3.65 H new ATOM 0 HD13 LEU A 4 4.203 -15.037 4.483 1.00 3.65 H new ATOM 0 HD21 LEU A 4 3.730 -18.011 5.113 1.00 3.75 H new ATOM 0 HD22 LEU A 4 4.676 -16.915 6.147 1.00 3.75 H new ATOM 0 HD23 LEU A 4 3.305 -17.820 6.830 1.00 3.75 H new ATOM 61 N THR A 5 2.977 -14.066 9.352 1.00 1.73 N ATOM 62 CA THR A 5 3.184 -13.117 10.454 1.00 2.05 C ATOM 63 C THR A 5 2.486 -11.795 10.124 1.00 1.66 C ATOM 64 O THR A 5 2.457 -11.383 8.965 1.00 1.15 O ATOM 65 CB THR A 5 4.679 -12.859 10.751 1.00 2.63 C ATOM 66 OG1 THR A 5 5.492 -13.909 10.206 1.00 3.14 O ATOM 67 CG2 THR A 5 4.924 -12.762 12.251 1.00 3.26 C ATOM 0 H THR A 5 3.830 -14.337 8.863 1.00 1.73 H new ATOM 0 HA THR A 5 2.755 -13.563 11.351 1.00 2.05 H new ATOM 0 HB THR A 5 4.951 -11.913 10.283 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.435 -13.728 10.402 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.983 -12.580 12.436 1.00 3.26 H new ATOM 0 HG22 THR A 5 4.338 -11.941 12.663 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.627 -13.695 12.729 1.00 3.26 H new ATOM 75 N GLU A 6 1.996 -11.121 11.168 1.00 2.22 N ATOM 76 CA GLU A 6 1.211 -9.869 11.062 1.00 2.15 C ATOM 77 C GLU A 6 1.679 -8.880 9.984 1.00 1.73 C ATOM 78 O GLU A 6 0.870 -8.478 9.146 1.00 1.38 O ATOM 79 CB GLU A 6 1.223 -9.167 12.418 1.00 2.80 C ATOM 80 CG GLU A 6 0.296 -9.795 13.450 1.00 3.25 C ATOM 81 CD GLU A 6 0.340 -9.077 14.785 1.00 3.82 C ATOM 82 OE1 GLU A 6 1.174 -9.454 15.635 1.00 4.39 O ATOM 83 OE2 GLU A 6 -0.459 -8.137 14.980 1.00 4.09 O ATOM 0 H GLU A 6 2.131 -11.428 12.131 1.00 2.22 H new ATOM 0 HA GLU A 6 0.211 -10.176 10.756 1.00 2.15 H new ATOM 0 HB2 GLU A 6 2.241 -9.171 12.809 1.00 2.80 H new ATOM 0 HB3 GLU A 6 0.940 -8.124 12.278 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.725 -9.785 13.070 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.572 -10.839 13.594 1.00 3.25 H new ATOM 90 N GLU A 7 2.960 -8.496 9.995 1.00 1.90 N ATOM 91 CA GLU A 7 3.473 -7.535 9.021 1.00 1.65 C ATOM 92 C GLU A 7 3.885 -8.177 7.705 1.00 1.44 C ATOM 93 O GLU A 7 4.017 -7.484 6.692 1.00 1.23 O ATOM 94 CB GLU A 7 4.634 -6.722 9.605 1.00 2.06 C ATOM 95 CG GLU A 7 4.210 -5.700 10.650 1.00 2.28 C ATOM 96 CD GLU A 7 5.376 -4.888 11.177 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.702 -3.849 10.564 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.965 -5.291 12.203 1.00 2.91 O ATOM 0 H GLU A 7 3.653 -8.834 10.663 1.00 1.90 H new ATOM 0 HA GLU A 7 2.644 -6.863 8.798 1.00 1.65 H new ATOM 0 HB2 GLU A 7 5.354 -7.407 10.053 1.00 2.06 H new ATOM 0 HB3 GLU A 7 5.147 -6.205 8.794 1.00 2.06 H new ATOM 0 HG2 GLU A 7 3.470 -5.027 10.216 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.725 -6.214 11.480 1.00 2.28 H new ATOM 105 N GLN A 8 4.086 -9.494 7.720 1.00 1.67 N ATOM 106 CA GLN A 8 4.455 -10.234 6.512 1.00 1.66 C ATOM 107 C GLN A 8 3.242 -10.318 5.578 1.00 1.23 C ATOM 108 O GLN A 8 3.358 -10.084 4.374 1.00 1.28 O ATOM 109 CB GLN A 8 4.969 -11.636 6.875 1.00 1.98 C ATOM 110 CG GLN A 8 6.094 -11.630 7.910 1.00 2.48 C ATOM 111 CD GLN A 8 7.459 -11.360 7.301 1.00 2.88 C ATOM 112 OE1 GLN A 8 7.889 -10.211 7.196 1.00 3.21 O ATOM 113 NE2 GLN A 8 8.147 -12.421 6.897 1.00 3.41 N ATOM 0 H GLN A 8 4.000 -10.072 8.556 1.00 1.67 H new ATOM 0 HA GLN A 8 5.260 -9.709 5.998 1.00 1.66 H new ATOM 0 HB2 GLN A 8 4.139 -12.230 7.257 1.00 1.98 H new ATOM 0 HB3 GLN A 8 5.323 -12.129 5.970 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.882 -10.872 8.664 1.00 2.48 H new ATOM 0 HG3 GLN A 8 6.114 -12.592 8.422 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.752 -13.356 7.003 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.070 -12.302 6.480 1.00 3.41 H new ATOM 122 N ILE A 9 2.085 -10.651 6.169 1.00 0.97 N ATOM 123 CA ILE A 9 0.810 -10.742 5.439 1.00 0.68 C ATOM 124 C ILE A 9 0.074 -9.403 5.403 1.00 0.57 C ATOM 125 O ILE A 9 -0.830 -9.221 4.587 1.00 0.67 O ATOM 126 CB ILE A 9 -0.169 -11.828 5.981 1.00 0.76 C ATOM 127 CG1 ILE A 9 0.168 -12.259 7.391 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.224 -13.030 5.059 1.00 1.14 C ATOM 129 CD1 ILE A 9 -0.469 -11.349 8.392 1.00 2.46 C ATOM 0 H ILE A 9 2.006 -10.864 7.163 1.00 0.97 H new ATOM 0 HA ILE A 9 1.108 -11.038 4.433 1.00 0.68 H new ATOM 0 HB ILE A 9 -1.156 -11.366 6.010 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -0.172 -13.282 7.554 1.00 1.22 H new ATOM 0 HG13 ILE A 9 1.249 -12.257 7.528 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.915 -13.769 5.465 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -0.566 -12.717 4.073 1.00 1.14 H new ATOM 0 HG23 ILE A 9 0.770 -13.470 4.975 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -0.212 -11.679 9.399 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -0.108 -10.332 8.240 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -1.552 -11.372 8.268 1.00 2.46 H new ATOM 141 N ALA A 10 0.486 -8.466 6.282 1.00 0.59 N ATOM 142 CA ALA A 10 -0.147 -7.130 6.413 1.00 0.64 C ATOM 143 C ALA A 10 -0.474 -6.396 5.108 1.00 0.58 C ATOM 144 O ALA A 10 -1.610 -5.952 4.929 1.00 0.70 O ATOM 145 CB ALA A 10 0.745 -6.204 7.214 1.00 0.80 C ATOM 0 H ALA A 10 1.267 -8.611 6.922 1.00 0.59 H new ATOM 0 HA ALA A 10 -1.096 -7.355 6.899 1.00 0.64 H new ATOM 0 HB1 ALA A 10 0.269 -5.227 7.303 1.00 0.80 H new ATOM 0 HB2 ALA A 10 0.904 -6.622 8.208 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.704 -6.096 6.708 1.00 0.80 H new ATOM 151 N GLU A 11 0.496 -6.316 4.184 1.00 0.50 N ATOM 152 CA GLU A 11 0.327 -5.517 2.966 1.00 0.51 C ATOM 153 C GLU A 11 -0.715 -6.119 2.040 1.00 0.49 C ATOM 154 O GLU A 11 -1.731 -5.476 1.777 1.00 0.50 O ATOM 155 CB GLU A 11 1.663 -5.296 2.233 1.00 0.59 C ATOM 156 CG GLU A 11 1.590 -4.244 1.117 1.00 0.64 C ATOM 157 CD GLU A 11 1.360 -4.863 -0.248 1.00 0.88 C ATOM 158 OE1 GLU A 11 2.354 -5.218 -0.915 1.00 1.48 O ATOM 159 OE2 GLU A 11 0.184 -4.992 -0.650 1.00 1.48 O ATOM 0 H GLU A 11 1.396 -6.791 4.258 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.037 -4.538 3.279 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.418 -4.992 2.958 1.00 0.59 H new ATOM 0 HB3 GLU A 11 1.994 -6.243 1.806 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.785 -3.543 1.335 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.517 -3.670 1.101 1.00 0.64 H new ATOM 166 N PHE A 12 -0.481 -7.351 1.556 1.00 0.52 N ATOM 167 CA PHE A 12 -1.450 -7.996 0.674 1.00 0.53 C ATOM 168 C PHE A 12 -2.768 -8.239 1.407 1.00 0.49 C ATOM 169 O PHE A 12 -3.798 -8.430 0.761 1.00 0.54 O ATOM 170 CB PHE A 12 -0.922 -9.265 -0.034 1.00 0.63 C ATOM 171 CG PHE A 12 -0.121 -10.242 0.789 1.00 1.22 C ATOM 172 CD1 PHE A 12 -0.628 -11.501 1.069 1.00 2.05 C ATOM 173 CD2 PHE A 12 1.154 -9.924 1.234 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.116 -12.420 1.778 1.00 3.03 C ATOM 175 CE2 PHE A 12 1.899 -10.838 1.951 1.00 3.14 C ATOM 176 CZ PHE A 12 1.381 -12.088 2.222 1.00 3.44 C ATOM 0 H PHE A 12 0.352 -7.904 1.758 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.635 -7.296 -0.140 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.777 -9.798 -0.450 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.304 -8.948 -0.874 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -1.618 -11.765 0.728 1.00 2.05 H new ATOM 0 HD2 PHE A 12 1.568 -8.950 1.017 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -0.290 -13.399 1.986 1.00 3.03 H new ATOM 0 HE2 PHE A 12 2.887 -10.575 2.300 1.00 3.14 H new ATOM 0 HZ PHE A 12 1.964 -12.806 2.780 1.00 3.44 H new ATOM 186 N LYS A 13 -2.733 -8.235 2.765 1.00 0.47 N ATOM 187 CA LYS A 13 -3.945 -8.368 3.561 1.00 0.48 C ATOM 188 C LYS A 13 -4.847 -7.176 3.416 1.00 0.48 C ATOM 189 O LYS A 13 -6.018 -7.297 3.056 1.00 0.52 O ATOM 190 CB LYS A 13 -3.643 -8.473 5.052 1.00 0.51 C ATOM 191 CG LYS A 13 -4.785 -9.087 5.828 1.00 0.57 C ATOM 192 CD LYS A 13 -4.992 -10.524 5.386 1.00 0.60 C ATOM 193 CE LYS A 13 -6.452 -10.939 5.468 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.649 -12.362 5.075 1.00 1.21 N ATOM 0 H LYS A 13 -1.877 -8.141 3.312 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.422 -9.275 3.189 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.745 -9.073 5.197 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -3.430 -7.480 5.448 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -4.571 -9.053 6.896 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -5.697 -8.512 5.667 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.638 -10.643 4.362 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -4.391 -11.186 6.010 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.815 -10.790 6.485 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -7.049 -10.298 4.819 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.628 -12.501 4.752 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -5.993 -12.604 4.305 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.464 -12.977 5.893 1.00 1.21 H new ATOM 208 N GLU A 14 -4.296 -6.027 3.753 1.00 0.47 N ATOM 209 CA GLU A 14 -5.043 -4.813 3.705 1.00 0.49 C ATOM 210 C GLU A 14 -5.310 -4.428 2.262 1.00 0.49 C ATOM 211 O GLU A 14 -6.304 -3.770 1.942 1.00 0.54 O ATOM 212 CB GLU A 14 -4.306 -3.696 4.438 1.00 0.50 C ATOM 213 CG GLU A 14 -4.755 -3.497 5.881 1.00 0.52 C ATOM 214 CD GLU A 14 -6.041 -2.695 5.997 1.00 1.25 C ATOM 215 OE1 GLU A 14 -5.959 -1.452 6.080 1.00 1.99 O ATOM 216 OE2 GLU A 14 -7.127 -3.312 6.006 1.00 1.95 O ATOM 0 H GLU A 14 -3.330 -5.922 4.062 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.998 -4.968 4.207 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.238 -3.912 4.428 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -4.448 -2.763 3.893 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -4.897 -4.471 6.349 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -3.965 -2.989 6.435 1.00 0.52 H new ATOM 223 N ALA A 15 -4.382 -4.863 1.407 1.00 0.46 N ATOM 224 CA ALA A 15 -4.475 -4.653 -0.023 1.00 0.48 C ATOM 225 C ALA A 15 -5.365 -5.713 -0.668 1.00 0.50 C ATOM 226 O ALA A 15 -5.570 -5.743 -1.887 1.00 0.55 O ATOM 227 CB ALA A 15 -3.099 -4.628 -0.674 1.00 0.50 C ATOM 0 H ALA A 15 -3.546 -5.371 1.696 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.932 -3.677 -0.186 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.207 -4.469 -1.747 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.508 -3.819 -0.245 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.596 -5.578 -0.497 1.00 0.50 H new ATOM 233 N PHE A 16 -5.890 -6.562 0.203 1.00 0.49 N ATOM 234 CA PHE A 16 -6.798 -7.654 -0.168 1.00 0.53 C ATOM 235 C PHE A 16 -8.222 -7.110 -0.216 1.00 0.57 C ATOM 236 O PHE A 16 -9.006 -7.477 -1.095 1.00 0.60 O ATOM 237 CB PHE A 16 -6.710 -8.836 0.820 1.00 0.55 C ATOM 238 CG PHE A 16 -7.108 -10.159 0.222 1.00 0.56 C ATOM 239 CD1 PHE A 16 -6.163 -10.974 -0.381 1.00 1.27 C ATOM 240 CD2 PHE A 16 -8.426 -10.584 0.264 1.00 1.27 C ATOM 241 CE1 PHE A 16 -6.526 -12.189 -0.932 1.00 1.31 C ATOM 242 CE2 PHE A 16 -8.795 -11.798 -0.285 1.00 1.27 C ATOM 243 CZ PHE A 16 -7.844 -12.601 -0.883 1.00 0.62 C ATOM 0 H PHE A 16 -5.699 -6.517 1.204 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.505 -8.034 -1.147 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.689 -8.909 1.194 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.350 -8.629 1.678 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -5.132 -10.656 -0.421 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -9.174 -9.960 0.731 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -5.781 -12.815 -1.400 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -9.826 -12.118 -0.246 1.00 1.27 H new ATOM 0 HZ PHE A 16 -8.130 -13.550 -1.312 1.00 0.62 H new ATOM 253 N SER A 17 -8.538 -6.224 0.748 1.00 0.61 N ATOM 254 CA SER A 17 -9.855 -5.587 0.814 1.00 0.67 C ATOM 255 C SER A 17 -9.909 -4.358 -0.103 1.00 0.74 C ATOM 256 O SER A 17 -10.991 -3.845 -0.402 1.00 0.78 O ATOM 257 CB SER A 17 -10.194 -5.197 2.256 1.00 0.74 C ATOM 258 OG SER A 17 -11.544 -4.775 2.373 1.00 1.41 O ATOM 0 H SER A 17 -7.896 -5.938 1.487 1.00 0.61 H new ATOM 0 HA SER A 17 -10.599 -6.305 0.468 1.00 0.67 H new ATOM 0 HB2 SER A 17 -10.018 -6.047 2.916 1.00 0.74 H new ATOM 0 HB3 SER A 17 -9.531 -4.396 2.584 1.00 0.74 H new ATOM 0 HG SER A 17 -11.809 -4.297 1.559 1.00 1.41 H new ATOM 264 N LEU A 18 -8.720 -3.899 -0.537 1.00 0.79 N ATOM 265 CA LEU A 18 -8.577 -2.743 -1.448 1.00 0.91 C ATOM 266 C LEU A 18 -9.364 -2.959 -2.740 1.00 0.81 C ATOM 267 O LEU A 18 -10.030 -2.052 -3.247 1.00 0.79 O ATOM 268 CB LEU A 18 -7.099 -2.554 -1.854 1.00 1.26 C ATOM 269 CG LEU A 18 -6.278 -1.435 -1.192 1.00 0.69 C ATOM 270 CD1 LEU A 18 -4.915 -1.372 -1.852 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.930 -0.072 -1.322 1.00 0.83 C ATOM 0 H LEU A 18 -7.830 -4.318 -0.267 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.953 -1.871 -0.912 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.583 -3.496 -1.665 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.073 -2.387 -2.931 1.00 1.26 H new ATOM 0 HG LEU A 18 -6.206 -1.672 -0.131 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -4.323 -0.581 -1.390 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -4.405 -2.327 -1.726 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -5.035 -1.162 -2.915 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.306 0.678 -0.836 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.043 0.178 -2.377 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.911 -0.091 -0.846 1.00 0.83 H new ATOM 283 N PHE A 19 -9.259 -4.187 -3.244 1.00 0.84 N ATOM 284 CA PHE A 19 -9.885 -4.601 -4.488 1.00 0.86 C ATOM 285 C PHE A 19 -11.194 -5.325 -4.250 1.00 0.75 C ATOM 286 O PHE A 19 -12.198 -5.035 -4.883 1.00 0.79 O ATOM 287 CB PHE A 19 -8.966 -5.595 -5.219 1.00 1.02 C ATOM 288 CG PHE A 19 -7.591 -5.086 -5.608 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.703 -4.595 -4.656 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.180 -5.126 -6.929 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.446 -4.155 -5.017 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.924 -4.687 -7.294 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.055 -4.202 -6.338 1.00 1.28 C ATOM 0 H PHE A 19 -8.728 -4.930 -2.789 1.00 0.84 H new ATOM 0 HA PHE A 19 -10.062 -3.696 -5.069 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.838 -6.472 -4.584 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.475 -5.928 -6.124 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.002 -4.558 -3.619 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.852 -5.506 -7.684 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.770 -3.774 -4.266 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.620 -4.723 -8.330 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.071 -3.860 -6.624 1.00 1.28 H new ATOM 303 N ASP A 20 -11.166 -6.250 -3.296 1.00 0.68 N ATOM 304 CA ASP A 20 -12.291 -7.126 -3.011 1.00 0.63 C ATOM 305 C ASP A 20 -13.604 -6.390 -2.601 1.00 0.66 C ATOM 306 O ASP A 20 -13.791 -6.008 -1.441 1.00 0.74 O ATOM 307 CB ASP A 20 -11.822 -8.219 -1.990 1.00 0.60 C ATOM 308 CG ASP A 20 -12.561 -8.246 -0.655 1.00 1.67 C ATOM 309 OD1 ASP A 20 -13.747 -8.635 -0.636 1.00 2.45 O ATOM 310 OD2 ASP A 20 -11.947 -7.878 0.369 1.00 2.31 O ATOM 0 H ASP A 20 -10.356 -6.412 -2.697 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.590 -7.613 -3.939 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.926 -9.197 -2.461 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.760 -8.072 -1.792 1.00 0.60 H new ATOM 315 N LYS A 21 -14.477 -6.142 -3.606 1.00 0.73 N ATOM 316 CA LYS A 21 -15.815 -5.550 -3.374 1.00 0.80 C ATOM 317 C LYS A 21 -16.767 -6.686 -3.075 1.00 0.82 C ATOM 318 O LYS A 21 -17.540 -6.663 -2.113 1.00 0.91 O ATOM 319 CB LYS A 21 -16.336 -4.774 -4.584 1.00 1.01 C ATOM 320 CG LYS A 21 -15.665 -3.440 -4.778 1.00 0.97 C ATOM 321 CD LYS A 21 -14.497 -3.588 -5.719 1.00 0.95 C ATOM 322 CE LYS A 21 -13.532 -2.409 -5.612 1.00 1.05 C ATOM 323 NZ LYS A 21 -12.805 -2.387 -4.309 1.00 1.63 N ATOM 0 H LYS A 21 -14.278 -6.343 -4.586 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.741 -4.842 -2.548 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.194 -5.377 -5.481 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.409 -4.619 -4.471 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.378 -2.719 -5.179 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -15.324 -3.051 -3.819 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.966 -4.514 -5.497 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.862 -3.667 -6.743 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -12.810 -2.458 -6.427 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -14.085 -1.478 -5.732 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -11.839 -2.031 -4.456 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.305 -1.765 -3.643 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -12.763 -3.350 -3.918 1.00 1.63 H new ATOM 337 N ASP A 22 -16.668 -7.681 -3.954 1.00 0.85 N ATOM 338 CA ASP A 22 -17.432 -8.926 -3.858 1.00 0.97 C ATOM 339 C ASP A 22 -16.665 -9.879 -2.933 1.00 0.88 C ATOM 340 O ASP A 22 -17.227 -10.415 -1.973 1.00 1.02 O ATOM 341 CB ASP A 22 -17.637 -9.540 -5.253 1.00 1.12 C ATOM 342 CG ASP A 22 -18.777 -10.544 -5.296 1.00 1.36 C ATOM 343 OD1 ASP A 22 -19.916 -10.136 -5.605 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.528 -11.737 -5.021 1.00 1.48 O ATOM 0 H ASP A 22 -16.048 -7.646 -4.763 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.423 -8.736 -3.446 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.834 -8.743 -5.970 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.716 -10.030 -5.567 1.00 1.12 H new ATOM 349 N GLY A 23 -15.370 -10.075 -3.249 1.00 0.75 N ATOM 350 CA GLY A 23 -14.484 -10.887 -2.426 1.00 0.75 C ATOM 351 C GLY A 23 -14.787 -12.364 -2.369 1.00 0.85 C ATOM 352 O GLY A 23 -14.964 -12.924 -1.283 1.00 1.01 O ATOM 0 H GLY A 23 -14.923 -9.676 -4.074 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.466 -10.761 -2.794 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.507 -10.494 -1.409 1.00 0.75 H new ATOM 356 N ASP A 24 -14.849 -12.990 -3.541 1.00 0.82 N ATOM 357 CA ASP A 24 -15.048 -14.441 -3.660 1.00 0.95 C ATOM 358 C ASP A 24 -13.785 -15.146 -3.162 1.00 0.87 C ATOM 359 O ASP A 24 -13.667 -16.376 -3.133 1.00 0.96 O ATOM 360 CB ASP A 24 -15.211 -14.759 -5.122 1.00 1.00 C ATOM 361 CG ASP A 24 -16.660 -14.849 -5.559 1.00 1.41 C ATOM 362 OD1 ASP A 24 -17.209 -13.821 -6.009 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.246 -15.947 -5.453 1.00 1.93 O ATOM 0 H ASP A 24 -14.763 -12.511 -4.437 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.916 -14.762 -3.085 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -14.708 -13.992 -5.712 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.714 -15.705 -5.338 1.00 1.00 H new ATOM 368 N GLY A 25 -12.873 -14.279 -2.767 1.00 0.74 N ATOM 369 CA GLY A 25 -11.565 -14.633 -2.263 1.00 0.72 C ATOM 370 C GLY A 25 -10.508 -14.256 -3.269 1.00 0.65 C ATOM 371 O GLY A 25 -9.307 -14.331 -2.991 1.00 0.69 O ATOM 0 H GLY A 25 -13.031 -13.272 -2.790 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.379 -14.122 -1.318 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.521 -15.703 -2.060 1.00 0.72 H new ATOM 375 N THR A 26 -10.984 -13.848 -4.448 1.00 0.62 N ATOM 376 CA THR A 26 -10.128 -13.406 -5.530 1.00 0.58 C ATOM 377 C THR A 26 -10.264 -11.908 -5.794 1.00 0.57 C ATOM 378 O THR A 26 -11.086 -11.217 -5.185 1.00 0.64 O ATOM 379 CB THR A 26 -10.459 -14.133 -6.836 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.868 -14.061 -7.102 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.023 -15.585 -6.782 1.00 0.64 C ATOM 0 H THR A 26 -11.979 -13.818 -4.671 1.00 0.62 H new ATOM 0 HA THR A 26 -9.110 -13.634 -5.213 1.00 0.58 H new ATOM 0 HB THR A 26 -9.913 -13.639 -7.640 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.148 -14.856 -7.602 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.271 -16.075 -7.724 1.00 0.64 H new ATOM 0 HG22 THR A 26 -8.946 -15.636 -6.620 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.538 -16.089 -5.964 1.00 0.64 H new ATOM 389 N ILE A 27 -9.433 -11.441 -6.721 1.00 0.54 N ATOM 390 CA ILE A 27 -9.393 -10.079 -7.157 1.00 0.53 C ATOM 391 C ILE A 27 -9.786 -9.972 -8.589 1.00 0.53 C ATOM 392 O ILE A 27 -9.235 -10.638 -9.447 1.00 0.51 O ATOM 393 CB ILE A 27 -8.005 -9.510 -6.940 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.955 -9.055 -5.515 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.655 -8.368 -7.899 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.042 -9.883 -4.638 1.00 0.54 C ATOM 0 H ILE A 27 -8.752 -12.033 -7.196 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.107 -9.502 -6.569 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.260 -10.278 -7.148 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.625 -8.016 -5.487 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.963 -9.081 -5.100 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.648 -8.010 -7.686 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.702 -8.728 -8.927 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.366 -7.552 -7.768 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.060 -9.491 -3.621 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.382 -10.918 -4.634 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.025 -9.837 -5.026 1.00 0.54 H new ATOM 408 N THR A 28 -10.689 -9.076 -8.827 1.00 0.59 N ATOM 409 CA THR A 28 -11.204 -8.867 -10.160 1.00 0.61 C ATOM 410 C THR A 28 -10.678 -7.591 -10.771 1.00 0.58 C ATOM 411 O THR A 28 -10.084 -6.734 -10.108 1.00 0.57 O ATOM 412 CB THR A 28 -12.738 -8.856 -10.153 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.246 -9.584 -9.025 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.320 -9.450 -11.435 1.00 0.73 C ATOM 0 H THR A 28 -11.094 -8.468 -8.115 1.00 0.59 H new ATOM 0 HA THR A 28 -10.858 -9.698 -10.774 1.00 0.61 H new ATOM 0 HB THR A 28 -13.045 -7.812 -10.086 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.511 -8.955 -8.322 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.409 -9.422 -11.387 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.979 -8.869 -12.292 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.988 -10.483 -11.541 1.00 0.73 H new ATOM 422 N THR A 29 -10.929 -7.510 -12.063 1.00 0.58 N ATOM 423 CA THR A 29 -10.513 -6.408 -12.910 1.00 0.57 C ATOM 424 C THR A 29 -11.207 -5.098 -12.516 1.00 0.62 C ATOM 425 O THR A 29 -10.518 -4.110 -12.259 1.00 0.64 O ATOM 426 CB THR A 29 -10.723 -6.725 -14.428 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.913 -6.107 -14.935 1.00 0.66 O ATOM 428 CG2 THR A 29 -10.802 -8.217 -14.715 1.00 0.59 C ATOM 0 H THR A 29 -11.444 -8.231 -12.568 1.00 0.58 H new ATOM 0 HA THR A 29 -9.443 -6.275 -12.751 1.00 0.57 H new ATOM 0 HB THR A 29 -9.845 -6.318 -14.930 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.367 -6.724 -15.547 1.00 0.66 H new ATOM 0 HG21 THR A 29 -10.948 -8.375 -15.784 1.00 0.59 H new ATOM 0 HG22 THR A 29 -9.876 -8.698 -14.401 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.639 -8.649 -14.167 1.00 0.59 H new ATOM 436 N LYS A 30 -12.562 -5.092 -12.410 1.00 0.77 N ATOM 437 CA LYS A 30 -13.302 -3.863 -12.023 1.00 0.85 C ATOM 438 C LYS A 30 -12.742 -3.256 -10.727 1.00 0.84 C ATOM 439 O LYS A 30 -12.965 -2.084 -10.432 1.00 0.93 O ATOM 440 CB LYS A 30 -14.826 -4.105 -11.900 1.00 1.01 C ATOM 441 CG LYS A 30 -15.273 -5.110 -10.831 1.00 1.06 C ATOM 442 CD LYS A 30 -15.268 -6.536 -11.367 1.00 1.10 C ATOM 443 CE LYS A 30 -16.003 -7.492 -10.437 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.497 -8.698 -11.158 1.00 1.66 N ATOM 0 H LYS A 30 -13.153 -5.905 -12.583 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.153 -3.146 -12.830 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.308 -3.149 -11.693 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.197 -4.447 -12.866 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.611 -5.043 -9.968 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.275 -4.854 -10.486 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.735 -6.556 -12.352 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.239 -6.873 -11.495 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.336 -7.799 -9.631 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.844 -6.975 -9.976 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.537 -8.689 -11.177 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -16.133 -8.694 -12.132 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.167 -9.554 -10.669 1.00 1.66 H new ATOM 458 N GLU A 31 -12.019 -4.095 -9.976 1.00 0.82 N ATOM 459 CA GLU A 31 -11.378 -3.713 -8.735 1.00 0.87 C ATOM 460 C GLU A 31 -9.992 -3.137 -8.997 1.00 0.78 C ATOM 461 O GLU A 31 -9.680 -2.029 -8.557 1.00 0.81 O ATOM 462 CB GLU A 31 -11.232 -4.923 -7.802 1.00 1.02 C ATOM 463 CG GLU A 31 -12.490 -5.783 -7.657 1.00 1.82 C ATOM 464 CD GLU A 31 -12.249 -7.125 -6.970 1.00 2.69 C ATOM 465 OE1 GLU A 31 -11.117 -7.375 -6.495 1.00 3.34 O ATOM 466 OE2 GLU A 31 -13.203 -7.928 -6.903 1.00 3.27 O ATOM 0 H GLU A 31 -11.867 -5.072 -10.227 1.00 0.82 H new ATOM 0 HA GLU A 31 -12.007 -2.958 -8.264 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.421 -5.551 -8.170 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.937 -4.568 -6.815 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -13.236 -5.225 -7.090 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -12.910 -5.963 -8.646 1.00 1.82 H new ATOM 473 N LEU A 32 -9.179 -3.906 -9.745 1.00 0.68 N ATOM 474 CA LEU A 32 -7.802 -3.534 -10.091 1.00 0.60 C ATOM 475 C LEU A 32 -7.723 -2.181 -10.790 1.00 0.66 C ATOM 476 O LEU A 32 -6.688 -1.526 -10.720 1.00 0.72 O ATOM 477 CB LEU A 32 -7.160 -4.679 -10.907 1.00 0.54 C ATOM 478 CG LEU A 32 -5.749 -4.467 -11.514 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.739 -3.866 -10.534 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.218 -5.791 -12.034 1.00 0.44 C ATOM 0 H LEU A 32 -9.465 -4.808 -10.127 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.227 -3.403 -9.174 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.113 -5.557 -10.262 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.838 -4.921 -11.726 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.866 -3.745 -12.322 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.776 -3.748 -11.031 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.095 -2.893 -10.196 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.626 -4.529 -9.676 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.226 -5.643 -12.461 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.157 -6.506 -11.214 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.889 -6.176 -12.801 1.00 0.44 H new ATOM 492 N GLY A 33 -8.816 -1.773 -11.445 1.00 0.71 N ATOM 493 CA GLY A 33 -8.857 -0.472 -12.090 1.00 0.80 C ATOM 494 C GLY A 33 -9.219 0.626 -11.120 1.00 0.83 C ATOM 495 O GLY A 33 -8.719 1.749 -11.221 1.00 0.91 O ATOM 0 H GLY A 33 -9.670 -2.323 -11.538 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.886 -0.257 -12.536 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.583 -0.492 -12.903 1.00 0.80 H new ATOM 499 N THR A 34 -10.096 0.288 -10.177 1.00 0.80 N ATOM 500 CA THR A 34 -10.508 1.206 -9.109 1.00 0.84 C ATOM 501 C THR A 34 -9.309 1.507 -8.202 1.00 0.83 C ATOM 502 O THR A 34 -9.280 2.517 -7.494 1.00 0.88 O ATOM 503 CB THR A 34 -11.604 0.559 -8.246 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.629 0.014 -9.082 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.236 1.548 -7.265 1.00 0.96 C ATOM 0 H THR A 34 -10.542 -0.628 -10.129 1.00 0.80 H new ATOM 0 HA THR A 34 -10.885 2.121 -9.566 1.00 0.84 H new ATOM 0 HB THR A 34 -11.125 -0.230 -7.666 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.306 -0.811 -9.501 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.003 1.040 -6.680 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.469 1.938 -6.596 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.687 2.371 -7.819 1.00 0.96 H new ATOM 513 N VAL A 35 -8.331 0.597 -8.255 1.00 0.77 N ATOM 514 CA VAL A 35 -7.104 0.692 -7.447 1.00 0.79 C ATOM 515 C VAL A 35 -6.108 1.661 -8.093 1.00 0.80 C ATOM 516 O VAL A 35 -5.756 2.703 -7.534 1.00 0.86 O ATOM 517 CB VAL A 35 -6.441 -0.711 -7.335 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.131 -0.665 -6.544 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.393 -1.712 -6.692 1.00 0.79 C ATOM 0 H VAL A 35 -8.364 -0.226 -8.857 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.372 1.060 -6.457 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.212 -1.033 -8.351 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.703 -1.666 -6.491 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.429 0.004 -7.041 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.327 -0.300 -5.536 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.907 -2.685 -6.625 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.660 -1.370 -5.692 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.295 -1.798 -7.299 1.00 0.79 H new ATOM 529 N MET A 36 -5.681 1.262 -9.283 1.00 0.77 N ATOM 530 CA MET A 36 -4.719 1.998 -10.129 1.00 0.81 C ATOM 531 C MET A 36 -5.101 3.450 -10.377 1.00 0.80 C ATOM 532 O MET A 36 -4.287 4.358 -10.216 1.00 0.87 O ATOM 533 CB MET A 36 -4.649 1.346 -11.514 1.00 0.87 C ATOM 534 CG MET A 36 -5.965 0.788 -11.967 1.00 0.86 C ATOM 535 SD MET A 36 -5.866 -0.077 -13.548 1.00 1.10 S ATOM 536 CE MET A 36 -5.931 1.299 -14.697 1.00 1.82 C ATOM 0 H MET A 36 -5.997 0.391 -9.710 1.00 0.77 H new ATOM 0 HA MET A 36 -3.775 1.964 -9.585 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.304 2.083 -12.239 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.909 0.546 -11.496 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.342 0.102 -11.208 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.687 1.600 -12.049 1.00 0.86 H new ATOM 0 HE1 MET A 36 -6.837 1.228 -15.299 1.00 1.82 H new ATOM 0 HE2 MET A 36 -5.937 2.237 -14.142 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.059 1.270 -15.350 1.00 1.82 H new ATOM 546 N ARG A 37 -6.358 3.636 -10.780 1.00 0.79 N ATOM 547 CA ARG A 37 -6.877 4.934 -11.169 1.00 0.85 C ATOM 548 C ARG A 37 -6.720 6.027 -10.104 1.00 0.94 C ATOM 549 O ARG A 37 -6.579 7.211 -10.423 1.00 1.01 O ATOM 550 CB ARG A 37 -8.350 4.817 -11.541 1.00 0.96 C ATOM 551 CG ARG A 37 -8.591 4.260 -12.937 1.00 1.49 C ATOM 552 CD ARG A 37 -10.076 4.171 -13.264 1.00 1.68 C ATOM 553 NE ARG A 37 -10.737 3.068 -12.555 1.00 2.53 N ATOM 554 CZ ARG A 37 -12.003 2.675 -12.762 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.775 3.284 -13.659 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.496 1.663 -12.061 1.00 3.94 N ATOM 0 H ARG A 37 -7.043 2.883 -10.844 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.274 5.242 -12.023 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.849 4.176 -10.814 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.812 5.801 -11.468 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.095 4.894 -13.672 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.142 3.270 -13.015 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.561 5.111 -13.001 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.202 4.037 -14.338 1.00 1.68 H new ATOM 0 HE ARG A 37 -10.194 2.564 -11.854 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.407 4.064 -14.203 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.735 2.971 -13.802 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.914 1.189 -11.370 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.458 1.358 -12.212 1.00 3.94 H new ATOM 570 N SER A 38 -6.748 5.596 -8.848 1.00 1.00 N ATOM 571 CA SER A 38 -6.659 6.485 -7.674 1.00 1.16 C ATOM 572 C SER A 38 -5.364 7.307 -7.579 1.00 1.17 C ATOM 573 O SER A 38 -5.372 8.394 -6.993 1.00 1.33 O ATOM 574 CB SER A 38 -6.846 5.668 -6.393 1.00 1.37 C ATOM 575 OG SER A 38 -7.064 6.508 -5.270 1.00 1.82 O ATOM 0 H SER A 38 -6.834 4.609 -8.603 1.00 1.00 H new ATOM 0 HA SER A 38 -7.459 7.214 -7.799 1.00 1.16 H new ATOM 0 HB2 SER A 38 -7.692 4.990 -6.512 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.964 5.050 -6.222 1.00 1.37 H new ATOM 0 HG SER A 38 -7.181 5.958 -4.468 1.00 1.82 H new ATOM 581 N LEU A 39 -4.271 6.800 -8.145 1.00 1.11 N ATOM 582 CA LEU A 39 -2.989 7.491 -8.091 1.00 1.26 C ATOM 583 C LEU A 39 -2.765 8.459 -9.268 1.00 1.23 C ATOM 584 O LEU A 39 -1.798 9.227 -9.256 1.00 1.39 O ATOM 585 CB LEU A 39 -1.829 6.479 -7.961 1.00 1.42 C ATOM 586 CG LEU A 39 -1.853 5.241 -8.877 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.515 5.601 -10.314 1.00 1.18 C ATOM 588 CD2 LEU A 39 -0.891 4.183 -8.357 1.00 2.07 C ATOM 0 H LEU A 39 -4.250 5.912 -8.646 1.00 1.11 H new ATOM 0 HA LEU A 39 -3.010 8.115 -7.198 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.896 7.013 -8.143 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -1.801 6.132 -6.928 1.00 1.42 H new ATOM 0 HG LEU A 39 -2.866 4.839 -8.866 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.542 4.702 -10.930 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -2.243 6.320 -10.690 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.518 6.039 -10.354 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -0.917 3.313 -9.013 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.120 4.590 -8.334 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -1.185 3.887 -7.350 1.00 2.07 H new ATOM 600 N GLY A 40 -3.652 8.421 -10.274 1.00 1.12 N ATOM 601 CA GLY A 40 -3.529 9.325 -11.417 1.00 1.21 C ATOM 602 C GLY A 40 -3.099 8.650 -12.706 1.00 1.24 C ATOM 603 O GLY A 40 -2.409 9.260 -13.528 1.00 1.48 O ATOM 0 H GLY A 40 -4.448 7.784 -10.316 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -4.488 9.817 -11.581 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.809 10.105 -11.172 1.00 1.21 H new ATOM 607 N GLN A 41 -3.508 7.400 -12.875 1.00 1.05 N ATOM 608 CA GLN A 41 -3.185 6.619 -14.077 1.00 1.08 C ATOM 609 C GLN A 41 -4.294 6.759 -15.130 1.00 1.03 C ATOM 610 O GLN A 41 -5.367 7.299 -14.840 1.00 1.04 O ATOM 611 CB GLN A 41 -2.988 5.141 -13.707 1.00 1.08 C ATOM 612 CG GLN A 41 -1.961 4.421 -14.570 1.00 1.30 C ATOM 613 CD GLN A 41 -1.839 2.950 -14.224 1.00 2.18 C ATOM 614 OE1 GLN A 41 -0.943 2.633 -13.297 1.00 2.69 O flip ATOM 615 NE2 GLN A 41 -2.541 2.108 -14.783 1.00 3.01 N flip ATOM 0 H GLN A 41 -4.071 6.894 -12.191 1.00 1.05 H new ATOM 0 HA GLN A 41 -2.259 7.005 -14.502 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -2.681 5.076 -12.663 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.944 4.625 -13.791 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -2.238 4.522 -15.619 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -0.990 4.901 -14.449 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -3.217 2.396 -15.490 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -2.447 1.122 -14.539 1.00 3.01 H new ATOM 624 N ASN A 42 -4.026 6.267 -16.355 1.00 1.26 N ATOM 625 CA ASN A 42 -4.998 6.319 -17.456 1.00 1.34 C ATOM 626 C ASN A 42 -6.189 5.383 -17.157 1.00 0.89 C ATOM 627 O ASN A 42 -6.004 4.163 -17.073 1.00 1.50 O ATOM 628 CB ASN A 42 -4.321 5.931 -18.779 1.00 2.22 C ATOM 629 CG ASN A 42 -5.042 6.486 -19.996 1.00 3.03 C ATOM 630 OD1 ASN A 42 -5.941 5.848 -20.543 1.00 3.77 O ATOM 631 ND2 ASN A 42 -4.647 7.679 -20.425 1.00 3.37 N ATOM 0 H ASN A 42 -3.140 5.828 -16.604 1.00 1.26 H new ATOM 0 HA ASN A 42 -5.375 7.338 -17.549 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -3.293 6.293 -18.775 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -4.276 4.844 -18.854 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -5.093 8.102 -21.239 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -3.897 8.173 -19.941 1.00 3.37 H new ATOM 638 N PRO A 43 -7.430 5.934 -16.981 1.00 1.06 N ATOM 639 CA PRO A 43 -8.609 5.115 -16.657 1.00 1.66 C ATOM 640 C PRO A 43 -9.187 4.334 -17.851 1.00 1.29 C ATOM 641 O PRO A 43 -10.082 4.815 -18.559 1.00 1.26 O ATOM 642 CB PRO A 43 -9.610 6.148 -16.119 1.00 2.73 C ATOM 643 CG PRO A 43 -9.256 7.434 -16.789 1.00 2.76 C ATOM 644 CD PRO A 43 -7.773 7.381 -17.067 1.00 1.85 C ATOM 0 HA PRO A 43 -8.361 4.324 -15.949 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -10.635 5.856 -16.347 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.537 6.237 -15.035 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -9.820 7.557 -17.714 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -9.501 8.283 -16.151 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -7.539 7.787 -18.051 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -7.211 7.966 -16.339 1.00 1.85 H new ATOM 652 N THR A 44 -8.639 3.135 -18.074 1.00 1.26 N ATOM 653 CA THR A 44 -9.108 2.253 -19.128 1.00 1.00 C ATOM 654 C THR A 44 -9.946 1.124 -18.549 1.00 0.85 C ATOM 655 O THR A 44 -9.731 0.691 -17.413 1.00 0.89 O ATOM 656 CB THR A 44 -7.949 1.649 -19.938 1.00 1.17 C ATOM 657 OG1 THR A 44 -6.686 2.030 -19.382 1.00 1.51 O ATOM 658 CG2 THR A 44 -8.021 2.120 -21.363 1.00 1.33 C ATOM 0 H THR A 44 -7.864 2.758 -17.529 1.00 1.26 H new ATOM 0 HA THR A 44 -9.715 2.863 -19.797 1.00 1.00 H new ATOM 0 HB THR A 44 -8.039 0.563 -19.901 1.00 1.17 H new ATOM 0 HG1 THR A 44 -5.963 1.634 -19.911 1.00 1.51 H new ATOM 0 HG21 THR A 44 -7.197 1.688 -21.931 1.00 1.33 H new ATOM 0 HG22 THR A 44 -8.968 1.807 -21.802 1.00 1.33 H new ATOM 0 HG23 THR A 44 -7.950 3.207 -21.391 1.00 1.33 H new ATOM 666 N GLU A 45 -10.899 0.658 -19.352 1.00 0.76 N ATOM 667 CA GLU A 45 -11.814 -0.421 -18.963 1.00 0.72 C ATOM 668 C GLU A 45 -11.161 -1.771 -19.183 1.00 0.71 C ATOM 669 O GLU A 45 -11.522 -2.753 -18.546 1.00 0.70 O ATOM 670 CB GLU A 45 -13.131 -0.337 -19.749 1.00 0.79 C ATOM 671 CG GLU A 45 -14.011 0.853 -19.377 1.00 0.85 C ATOM 672 CD GLU A 45 -14.813 0.623 -18.108 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.312 0.969 -17.017 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.942 0.097 -18.206 1.00 1.97 O ATOM 0 H GLU A 45 -11.062 1.016 -20.293 1.00 0.76 H new ATOM 0 HA GLU A 45 -12.041 -0.305 -17.903 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -12.902 -0.286 -20.814 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -13.696 -1.255 -19.588 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.384 1.736 -19.249 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -14.695 1.064 -20.199 1.00 0.85 H new ATOM 681 N ALA A 46 -10.262 -1.821 -20.162 1.00 0.75 N ATOM 682 CA ALA A 46 -9.514 -3.019 -20.458 1.00 0.78 C ATOM 683 C ALA A 46 -8.232 -3.084 -19.644 1.00 0.76 C ATOM 684 O ALA A 46 -7.665 -4.157 -19.505 1.00 0.77 O ATOM 685 CB ALA A 46 -9.230 -3.127 -21.948 1.00 0.90 C ATOM 0 H ALA A 46 -10.039 -1.030 -20.766 1.00 0.75 H new ATOM 0 HA ALA A 46 -10.125 -3.875 -20.172 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -8.665 -4.038 -22.146 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -10.171 -3.157 -22.497 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -8.650 -2.263 -22.271 1.00 0.90 H new ATOM 691 N GLU A 47 -7.778 -1.933 -19.104 1.00 0.77 N ATOM 692 CA GLU A 47 -6.540 -1.895 -18.280 1.00 0.81 C ATOM 693 C GLU A 47 -6.588 -2.881 -17.121 1.00 0.68 C ATOM 694 O GLU A 47 -5.578 -3.482 -16.782 1.00 0.62 O ATOM 695 CB GLU A 47 -6.284 -0.490 -17.722 1.00 0.95 C ATOM 696 CG GLU A 47 -4.889 0.058 -18.005 1.00 1.30 C ATOM 697 CD GLU A 47 -3.807 -0.570 -17.141 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.256 -1.615 -17.548 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.512 -0.016 -16.062 1.00 2.13 O ATOM 0 H GLU A 47 -8.237 -1.029 -19.218 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.726 -2.179 -18.947 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -7.021 0.194 -18.142 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.442 -0.507 -16.644 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.647 -0.108 -19.055 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -4.891 1.136 -17.845 1.00 1.30 H new ATOM 706 N LEU A 48 -7.768 -3.041 -16.535 1.00 0.66 N ATOM 707 CA LEU A 48 -7.980 -3.960 -15.428 1.00 0.59 C ATOM 708 C LEU A 48 -8.182 -5.391 -15.941 1.00 0.55 C ATOM 709 O LEU A 48 -7.693 -6.337 -15.322 1.00 0.56 O ATOM 710 CB LEU A 48 -9.139 -3.459 -14.550 1.00 0.61 C ATOM 711 CG LEU A 48 -10.231 -2.629 -15.243 1.00 0.76 C ATOM 712 CD1 LEU A 48 -11.077 -3.499 -16.126 1.00 0.87 C ATOM 713 CD2 LEU A 48 -11.118 -1.908 -14.242 1.00 1.24 C ATOM 0 H LEU A 48 -8.607 -2.534 -16.817 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.091 -3.990 -14.797 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -9.613 -4.325 -14.089 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.718 -2.859 -13.743 1.00 0.61 H new ATOM 0 HG LEU A 48 -9.723 -1.879 -15.849 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.844 -2.892 -16.607 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.450 -3.963 -16.888 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.552 -4.275 -15.525 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -11.876 -1.334 -14.775 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -11.604 -2.638 -13.595 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -10.511 -1.234 -13.637 1.00 1.24 H new ATOM 725 N GLN A 49 -8.898 -5.550 -17.072 1.00 0.57 N ATOM 726 CA GLN A 49 -9.084 -6.867 -17.700 1.00 0.60 C ATOM 727 C GLN A 49 -7.773 -7.321 -18.364 1.00 0.59 C ATOM 728 O GLN A 49 -7.547 -8.519 -18.560 1.00 0.61 O ATOM 729 CB GLN A 49 -10.211 -6.830 -18.740 1.00 0.67 C ATOM 730 CG GLN A 49 -11.602 -6.622 -18.153 1.00 0.80 C ATOM 731 CD GLN A 49 -12.647 -6.341 -19.215 1.00 1.03 C ATOM 732 OE1 GLN A 49 -13.264 -7.261 -19.753 1.00 1.67 O ATOM 733 NE2 GLN A 49 -12.854 -5.065 -19.520 1.00 1.52 N ATOM 0 H GLN A 49 -9.355 -4.783 -17.566 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.362 -7.578 -16.922 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -10.007 -6.030 -19.451 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -10.202 -7.765 -19.301 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.891 -7.509 -17.590 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -11.574 -5.792 -17.447 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -12.320 -4.335 -19.049 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -13.547 -4.815 -20.225 1.00 1.52 H new ATOM 742 N ASP A 50 -6.920 -6.335 -18.705 1.00 0.58 N ATOM 743 CA ASP A 50 -5.610 -6.584 -19.313 1.00 0.57 C ATOM 744 C ASP A 50 -4.560 -6.800 -18.227 1.00 0.49 C ATOM 745 O ASP A 50 -3.718 -7.692 -18.350 1.00 0.48 O ATOM 746 CB ASP A 50 -5.180 -5.432 -20.227 1.00 0.63 C ATOM 747 CG ASP A 50 -5.814 -5.514 -21.602 1.00 1.03 C ATOM 748 OD1 ASP A 50 -6.587 -4.600 -21.952 1.00 1.83 O ATOM 749 OD2 ASP A 50 -5.535 -6.491 -22.328 1.00 1.48 O ATOM 0 H ASP A 50 -7.125 -5.346 -18.564 1.00 0.58 H new ATOM 0 HA ASP A 50 -5.696 -7.483 -19.924 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -5.450 -4.484 -19.762 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -4.095 -5.440 -20.330 1.00 0.63 H new ATOM 754 N MET A 51 -4.597 -5.962 -17.165 1.00 0.45 N ATOM 755 CA MET A 51 -3.653 -6.112 -16.037 1.00 0.41 C ATOM 756 C MET A 51 -3.765 -7.495 -15.375 1.00 0.39 C ATOM 757 O MET A 51 -2.776 -7.991 -14.827 1.00 0.38 O ATOM 758 CB MET A 51 -3.811 -5.002 -14.984 1.00 0.41 C ATOM 759 CG MET A 51 -3.051 -3.727 -15.321 1.00 0.48 C ATOM 760 SD MET A 51 -1.265 -3.974 -15.391 1.00 1.31 S ATOM 761 CE MET A 51 -0.958 -3.745 -17.141 1.00 1.31 C ATOM 0 H MET A 51 -5.257 -5.190 -17.067 1.00 0.45 H new ATOM 0 HA MET A 51 -2.656 -6.018 -16.468 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.869 -4.765 -14.874 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.466 -5.376 -14.020 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.398 -3.346 -16.281 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.279 -2.966 -14.575 1.00 0.48 H new ATOM 0 HE1 MET A 51 0.041 -4.105 -17.385 1.00 1.31 H new ATOM 0 HE2 MET A 51 -1.696 -4.304 -17.716 1.00 1.31 H new ATOM 0 HE3 MET A 51 -1.032 -2.686 -17.388 1.00 1.31 H new ATOM 771 N ILE A 52 -4.963 -8.117 -15.424 1.00 0.41 N ATOM 772 CA ILE A 52 -5.143 -9.464 -14.865 1.00 0.42 C ATOM 773 C ILE A 52 -4.748 -10.546 -15.895 1.00 0.46 C ATOM 774 O ILE A 52 -4.556 -11.709 -15.540 1.00 0.49 O ATOM 775 CB ILE A 52 -6.576 -9.749 -14.343 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.066 -8.601 -13.445 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.603 -11.064 -13.592 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.656 -8.981 -12.073 1.00 0.48 C ATOM 0 H ILE A 52 -5.803 -7.712 -15.838 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.480 -9.504 -14.001 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.250 -9.820 -15.197 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.229 -7.923 -13.277 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -7.823 -8.042 -13.995 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.613 -11.255 -13.229 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.298 -11.870 -14.259 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.917 -11.014 -12.746 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.961 -8.077 -11.545 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.522 -9.628 -12.216 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.903 -9.507 -11.486 1.00 0.48 H new ATOM 790 N ASN A 53 -4.614 -10.139 -17.163 1.00 0.49 N ATOM 791 CA ASN A 53 -4.266 -11.028 -18.261 1.00 0.56 C ATOM 792 C ASN A 53 -2.791 -11.401 -18.226 1.00 0.58 C ATOM 793 O ASN A 53 -2.428 -12.573 -18.333 1.00 0.65 O ATOM 794 CB ASN A 53 -4.558 -10.290 -19.543 1.00 0.58 C ATOM 795 CG ASN A 53 -5.431 -11.072 -20.505 1.00 0.65 C ATOM 796 OD1 ASN A 53 -4.933 -11.822 -21.344 1.00 1.27 O ATOM 797 ND2 ASN A 53 -6.742 -10.898 -20.388 1.00 1.35 N ATOM 0 H ASN A 53 -4.747 -9.170 -17.451 1.00 0.49 H new ATOM 0 HA ASN A 53 -4.844 -11.949 -18.183 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -5.048 -9.346 -19.306 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -3.617 -10.046 -20.035 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -7.380 -11.396 -21.008 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -7.111 -10.266 -19.678 1.00 1.35 H new ATOM 804 N GLU A 54 -1.950 -10.371 -18.104 1.00 0.55 N ATOM 805 CA GLU A 54 -0.489 -10.556 -18.038 1.00 0.59 C ATOM 806 C GLU A 54 -0.039 -11.118 -16.694 1.00 0.57 C ATOM 807 O GLU A 54 1.005 -11.772 -16.608 1.00 0.62 O ATOM 808 CB GLU A 54 0.275 -9.265 -18.399 1.00 0.61 C ATOM 809 CG GLU A 54 -0.197 -8.009 -17.671 1.00 0.79 C ATOM 810 CD GLU A 54 0.537 -6.761 -18.123 1.00 1.15 C ATOM 811 OE1 GLU A 54 0.072 -6.116 -19.087 1.00 1.78 O ATOM 812 OE2 GLU A 54 1.575 -6.429 -17.514 1.00 1.82 O ATOM 0 H GLU A 54 -2.251 -9.398 -18.048 1.00 0.55 H new ATOM 0 HA GLU A 54 -0.237 -11.300 -18.794 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.333 -9.415 -18.184 1.00 0.61 H new ATOM 0 HB3 GLU A 54 0.189 -9.098 -19.473 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -1.266 -7.877 -17.838 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -0.055 -8.141 -16.598 1.00 0.79 H new ATOM 819 N VAL A 55 -0.827 -10.857 -15.662 1.00 0.50 N ATOM 820 CA VAL A 55 -0.556 -11.399 -14.339 1.00 0.48 C ATOM 821 C VAL A 55 -1.690 -12.395 -14.056 1.00 0.48 C ATOM 822 O VAL A 55 -2.246 -12.472 -12.958 1.00 0.45 O ATOM 823 CB VAL A 55 -0.433 -10.294 -13.236 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.330 -10.829 -12.027 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.267 -9.044 -13.766 1.00 0.48 C ATOM 0 H VAL A 55 -1.661 -10.272 -15.715 1.00 0.50 H new ATOM 0 HA VAL A 55 0.416 -11.892 -14.315 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.445 -10.020 -12.938 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.406 -10.048 -11.270 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.201 -11.686 -11.612 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.330 -11.135 -12.334 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.334 -8.300 -12.972 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.270 -9.304 -14.104 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.302 -8.634 -14.600 1.00 0.48 H new ATOM 835 N ASP A 56 -1.983 -13.184 -15.111 1.00 0.55 N ATOM 836 CA ASP A 56 -3.068 -14.185 -15.133 1.00 0.60 C ATOM 837 C ASP A 56 -2.950 -15.296 -14.070 1.00 0.61 C ATOM 838 O ASP A 56 -2.163 -16.239 -14.220 1.00 0.65 O ATOM 839 CB ASP A 56 -3.107 -14.817 -16.533 1.00 0.75 C ATOM 840 CG ASP A 56 -4.481 -15.311 -16.934 1.00 0.98 C ATOM 841 OD1 ASP A 56 -4.811 -16.472 -16.613 1.00 1.58 O ATOM 842 OD2 ASP A 56 -5.226 -14.537 -17.571 1.00 1.87 O ATOM 0 H ASP A 56 -1.462 -13.142 -15.987 1.00 0.55 H new ATOM 0 HA ASP A 56 -3.988 -13.654 -14.891 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -2.766 -14.084 -17.264 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -2.406 -15.651 -16.566 1.00 0.75 H new ATOM 847 N ALA A 57 -3.728 -15.150 -12.981 1.00 0.59 N ATOM 848 CA ALA A 57 -3.777 -16.163 -11.918 1.00 0.62 C ATOM 849 C ALA A 57 -4.858 -17.198 -12.212 1.00 0.68 C ATOM 850 O ALA A 57 -4.612 -18.407 -12.192 1.00 0.74 O ATOM 851 CB ALA A 57 -4.052 -15.514 -10.568 1.00 0.60 C ATOM 0 H ALA A 57 -4.328 -14.342 -12.817 1.00 0.59 H new ATOM 0 HA ALA A 57 -2.807 -16.658 -11.884 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.084 -16.282 -9.795 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.260 -14.801 -10.339 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.009 -14.994 -10.603 1.00 0.60 H new ATOM 857 N ASP A 58 -6.051 -16.679 -12.483 1.00 0.68 N ATOM 858 CA ASP A 58 -7.221 -17.488 -12.813 1.00 0.75 C ATOM 859 C ASP A 58 -7.694 -17.186 -14.243 1.00 0.75 C ATOM 860 O ASP A 58 -8.356 -18.009 -14.882 1.00 0.83 O ATOM 861 CB ASP A 58 -8.307 -17.217 -11.755 1.00 0.77 C ATOM 862 CG ASP A 58 -9.670 -17.809 -12.087 1.00 0.90 C ATOM 863 OD1 ASP A 58 -9.800 -19.051 -12.065 1.00 1.36 O ATOM 864 OD2 ASP A 58 -10.604 -17.029 -12.364 1.00 1.62 O ATOM 0 H ASP A 58 -6.236 -15.676 -12.480 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.978 -18.550 -12.792 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -7.973 -17.619 -10.798 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -8.413 -16.140 -11.629 1.00 0.77 H new ATOM 869 N GLY A 59 -7.334 -15.989 -14.715 1.00 0.68 N ATOM 870 CA GLY A 59 -7.626 -15.536 -16.066 1.00 0.68 C ATOM 871 C GLY A 59 -9.072 -15.274 -16.379 1.00 0.72 C ATOM 872 O GLY A 59 -9.428 -15.091 -17.547 1.00 0.75 O ATOM 0 H GLY A 59 -6.825 -15.303 -14.157 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.064 -14.620 -16.249 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.254 -16.284 -16.766 1.00 0.68 H new ATOM 876 N ASN A 60 -9.905 -15.258 -15.350 1.00 0.73 N ATOM 877 CA ASN A 60 -11.292 -14.914 -15.519 1.00 0.78 C ATOM 878 C ASN A 60 -11.419 -13.444 -15.165 1.00 0.72 C ATOM 879 O ASN A 60 -12.509 -12.914 -14.914 1.00 0.77 O ATOM 880 CB ASN A 60 -12.205 -15.794 -14.653 1.00 0.86 C ATOM 881 CG ASN A 60 -12.247 -17.236 -15.124 1.00 1.28 C ATOM 882 OD1 ASN A 60 -11.449 -18.067 -14.689 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.180 -17.540 -16.018 1.00 2.03 N ATOM 0 H ASN A 60 -9.636 -15.481 -14.392 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.613 -15.090 -16.546 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -11.859 -15.763 -13.620 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.215 -15.383 -14.663 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -13.256 -18.494 -16.372 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.821 -16.820 -16.351 1.00 2.03 H new ATOM 890 N GLY A 61 -10.240 -12.801 -15.185 1.00 0.64 N ATOM 891 CA GLY A 61 -10.121 -11.405 -14.837 1.00 0.59 C ATOM 892 C GLY A 61 -9.975 -11.255 -13.344 1.00 0.56 C ATOM 893 O GLY A 61 -10.351 -10.244 -12.747 1.00 0.56 O ATOM 0 H GLY A 61 -9.358 -13.244 -15.443 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.258 -10.969 -15.340 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -11.000 -10.860 -15.181 1.00 0.59 H new ATOM 897 N THR A 62 -9.442 -12.312 -12.763 1.00 0.56 N ATOM 898 CA THR A 62 -9.238 -12.409 -11.338 1.00 0.54 C ATOM 899 C THR A 62 -7.824 -12.803 -10.992 1.00 0.50 C ATOM 900 O THR A 62 -7.221 -13.654 -11.652 1.00 0.51 O ATOM 901 CB THR A 62 -10.152 -13.445 -10.680 1.00 0.59 C ATOM 902 OG1 THR A 62 -10.716 -14.330 -11.659 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.259 -12.777 -9.880 1.00 0.62 C ATOM 0 H THR A 62 -9.135 -13.137 -13.278 1.00 0.56 H new ATOM 0 HA THR A 62 -9.466 -11.412 -10.962 1.00 0.54 H new ATOM 0 HB THR A 62 -9.539 -14.030 -9.994 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.384 -15.240 -11.507 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.891 -13.540 -9.425 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.820 -12.157 -9.099 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.861 -12.155 -10.542 1.00 0.62 H new ATOM 911 N ILE A 63 -7.312 -12.169 -9.950 1.00 0.47 N ATOM 912 CA ILE A 63 -6.004 -12.454 -9.448 1.00 0.45 C ATOM 913 C ILE A 63 -6.131 -12.855 -7.978 1.00 0.46 C ATOM 914 O ILE A 63 -6.908 -12.273 -7.216 1.00 0.48 O ATOM 915 CB ILE A 63 -5.061 -11.250 -9.661 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.735 -11.684 -10.286 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.826 -10.507 -8.370 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.915 -10.521 -10.807 1.00 0.42 C ATOM 0 H ILE A 63 -7.806 -11.440 -9.435 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.556 -13.284 -9.995 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.552 -10.570 -10.358 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.151 -12.229 -9.544 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.935 -12.375 -11.105 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.158 -9.665 -8.551 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.777 -10.140 -7.983 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.373 -11.179 -7.641 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.986 -10.895 -11.238 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.482 -9.990 -11.571 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.686 -9.841 -9.987 1.00 0.42 H new ATOM 930 N ASP A 64 -5.380 -13.860 -7.623 1.00 0.48 N ATOM 931 CA ASP A 64 -5.371 -14.425 -6.282 1.00 0.51 C ATOM 932 C ASP A 64 -4.161 -13.931 -5.480 1.00 0.54 C ATOM 933 O ASP A 64 -3.420 -13.062 -5.943 1.00 0.54 O ATOM 934 CB ASP A 64 -5.368 -15.947 -6.404 1.00 0.57 C ATOM 935 CG ASP A 64 -6.748 -16.514 -6.668 1.00 0.65 C ATOM 936 OD1 ASP A 64 -7.136 -16.608 -7.852 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.442 -16.865 -5.690 1.00 1.33 O ATOM 0 H ASP A 64 -4.739 -14.327 -8.265 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.260 -14.101 -5.740 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.698 -16.242 -7.212 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.971 -16.380 -5.486 1.00 0.57 H new ATOM 942 N PHE A 65 -3.962 -14.505 -4.279 1.00 0.62 N ATOM 943 CA PHE A 65 -2.850 -14.131 -3.390 1.00 0.73 C ATOM 944 C PHE A 65 -1.446 -14.516 -3.938 1.00 0.78 C ATOM 945 O PHE A 65 -0.500 -13.767 -3.692 1.00 0.86 O ATOM 946 CB PHE A 65 -3.056 -14.709 -1.972 1.00 0.82 C ATOM 947 CG PHE A 65 -3.340 -16.191 -1.910 1.00 0.82 C ATOM 948 CD1 PHE A 65 -2.321 -17.095 -1.656 1.00 1.39 C ATOM 949 CD2 PHE A 65 -4.626 -16.674 -2.103 1.00 1.51 C ATOM 950 CE1 PHE A 65 -2.577 -18.452 -1.595 1.00 1.43 C ATOM 951 CE2 PHE A 65 -4.888 -18.030 -2.044 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.862 -18.920 -1.790 1.00 0.90 C ATOM 0 H PHE A 65 -4.564 -15.236 -3.901 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.867 -13.042 -3.342 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -2.164 -14.503 -1.381 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.882 -14.178 -1.498 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -1.314 -16.735 -1.504 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -5.432 -15.983 -2.302 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -1.773 -19.145 -1.395 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -5.894 -18.393 -2.196 1.00 1.52 H new ATOM 0 HZ PHE A 65 -4.064 -19.980 -1.744 1.00 0.90 H new ATOM 962 N PRO A 66 -1.257 -15.665 -4.683 1.00 0.79 N ATOM 963 CA PRO A 66 0.073 -16.049 -5.215 1.00 0.89 C ATOM 964 C PRO A 66 0.592 -15.114 -6.316 1.00 0.79 C ATOM 965 O PRO A 66 1.800 -14.894 -6.415 1.00 0.82 O ATOM 966 CB PRO A 66 -0.145 -17.462 -5.783 1.00 0.98 C ATOM 967 CG PRO A 66 -1.441 -17.923 -5.215 1.00 0.91 C ATOM 968 CD PRO A 66 -2.266 -16.686 -5.050 1.00 0.75 C ATOM 0 HA PRO A 66 0.828 -15.995 -4.431 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -0.177 -17.446 -6.872 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.668 -18.129 -5.498 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.930 -18.635 -5.880 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.294 -18.427 -4.260 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.791 -16.424 -5.969 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.022 -16.805 -4.274 1.00 0.75 H new ATOM 976 N GLU A 67 -0.326 -14.574 -7.138 1.00 0.69 N ATOM 977 CA GLU A 67 0.037 -13.670 -8.227 1.00 0.63 C ATOM 978 C GLU A 67 0.085 -12.208 -7.773 1.00 0.62 C ATOM 979 O GLU A 67 1.065 -11.512 -8.051 1.00 0.66 O ATOM 980 CB GLU A 67 -0.917 -13.835 -9.402 1.00 0.61 C ATOM 981 CG GLU A 67 -0.495 -14.906 -10.402 1.00 0.70 C ATOM 982 CD GLU A 67 0.622 -14.452 -11.327 1.00 1.12 C ATOM 983 OE1 GLU A 67 0.314 -13.922 -12.415 1.00 1.71 O ATOM 984 OE2 GLU A 67 1.804 -14.627 -10.962 1.00 1.94 O ATOM 0 H GLU A 67 -1.327 -14.754 -7.062 1.00 0.69 H new ATOM 0 HA GLU A 67 1.043 -13.941 -8.549 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.908 -14.080 -9.020 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.003 -12.881 -9.922 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -0.171 -15.794 -9.859 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -1.359 -15.196 -11.000 1.00 0.70 H new ATOM 991 N PHE A 68 -0.994 -11.748 -7.100 1.00 0.63 N ATOM 992 CA PHE A 68 -1.114 -10.378 -6.560 1.00 0.72 C ATOM 993 C PHE A 68 0.211 -9.784 -6.049 1.00 0.79 C ATOM 994 O PHE A 68 0.572 -8.667 -6.426 1.00 0.87 O ATOM 995 CB PHE A 68 -2.168 -10.392 -5.435 1.00 0.88 C ATOM 996 CG PHE A 68 -2.575 -9.040 -4.912 1.00 0.91 C ATOM 997 CD1 PHE A 68 -3.646 -8.361 -5.465 1.00 1.54 C ATOM 998 CD2 PHE A 68 -1.889 -8.460 -3.857 1.00 1.84 C ATOM 999 CE1 PHE A 68 -4.026 -7.128 -4.976 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -2.262 -7.227 -3.365 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.332 -6.560 -3.924 1.00 2.37 C ATOM 0 H PHE A 68 -1.814 -12.326 -6.915 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.419 -9.729 -7.381 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.058 -10.904 -5.801 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.780 -10.982 -4.605 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -4.190 -8.801 -6.288 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -1.052 -8.980 -3.415 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -4.864 -6.607 -5.415 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -1.718 -6.785 -2.544 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.627 -5.595 -3.540 1.00 2.37 H new ATOM 1011 N LEU A 69 0.923 -10.536 -5.215 1.00 0.81 N ATOM 1012 CA LEU A 69 2.183 -10.065 -4.631 1.00 0.89 C ATOM 1013 C LEU A 69 3.411 -10.327 -5.481 1.00 0.84 C ATOM 1014 O LEU A 69 4.465 -9.767 -5.198 1.00 0.89 O ATOM 1015 CB LEU A 69 2.436 -10.670 -3.266 1.00 0.99 C ATOM 1016 CG LEU A 69 1.851 -12.064 -3.062 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.464 -13.075 -4.025 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.063 -12.515 -1.637 1.00 1.14 C ATOM 0 H LEU A 69 0.652 -11.476 -4.926 1.00 0.81 H new ATOM 0 HA LEU A 69 2.041 -8.987 -4.562 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.512 -10.716 -3.099 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.024 -10.004 -2.508 1.00 0.99 H new ATOM 0 HG LEU A 69 0.782 -12.009 -3.268 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.024 -14.057 -3.851 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.267 -12.766 -5.051 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.541 -13.126 -3.862 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.641 -13.511 -1.504 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.131 -12.541 -1.419 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.571 -11.819 -0.958 1.00 1.14 H new ATOM 1030 N THR A 70 3.297 -11.213 -6.478 1.00 0.78 N ATOM 1031 CA THR A 70 4.432 -11.563 -7.363 1.00 0.78 C ATOM 1032 C THR A 70 5.185 -10.320 -7.843 1.00 0.80 C ATOM 1033 O THR A 70 6.336 -10.416 -8.268 1.00 0.79 O ATOM 1034 CB THR A 70 3.958 -12.402 -8.581 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.109 -13.464 -8.139 1.00 0.79 O ATOM 1036 CG2 THR A 70 5.131 -12.996 -9.358 1.00 0.88 C ATOM 0 H THR A 70 2.431 -11.705 -6.698 1.00 0.78 H new ATOM 0 HA THR A 70 5.119 -12.166 -6.769 1.00 0.78 H new ATOM 0 HB THR A 70 3.414 -11.730 -9.245 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.216 -13.588 -7.173 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.753 -13.575 -10.201 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.768 -12.192 -9.726 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.710 -13.646 -8.702 1.00 0.88 H new ATOM 1044 N MET A 71 4.514 -9.174 -7.770 1.00 0.87 N ATOM 1045 CA MET A 71 5.105 -7.909 -8.138 1.00 0.96 C ATOM 1046 C MET A 71 5.838 -7.262 -6.965 1.00 0.97 C ATOM 1047 O MET A 71 6.843 -6.585 -7.185 1.00 1.00 O ATOM 1048 CB MET A 71 4.058 -6.967 -8.731 1.00 1.10 C ATOM 1049 CG MET A 71 3.594 -7.371 -10.125 1.00 1.15 C ATOM 1050 SD MET A 71 2.147 -6.448 -10.684 1.00 1.66 S ATOM 1051 CE MET A 71 0.832 -7.267 -9.779 1.00 1.68 C ATOM 0 H MET A 71 3.547 -9.105 -7.453 1.00 0.87 H new ATOM 0 HA MET A 71 5.850 -8.108 -8.908 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.195 -6.932 -8.066 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.470 -5.959 -8.772 1.00 1.10 H new ATOM 0 HG2 MET A 71 4.410 -7.219 -10.831 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.363 -8.436 -10.130 1.00 1.15 H new ATOM 0 HE1 MET A 71 -0.125 -7.052 -10.254 1.00 1.68 H new ATOM 0 HE2 MET A 71 1.005 -8.343 -9.781 1.00 1.68 H new ATOM 0 HE3 MET A 71 0.816 -6.904 -8.751 1.00 1.68 H new ATOM 1061 N MET A 72 5.348 -7.460 -5.722 1.00 0.99 N ATOM 1062 CA MET A 72 6.046 -6.920 -4.551 1.00 1.06 C ATOM 1063 C MET A 72 7.095 -7.935 -4.129 1.00 0.94 C ATOM 1064 O MET A 72 8.100 -7.599 -3.497 1.00 0.95 O ATOM 1065 CB MET A 72 5.077 -6.552 -3.406 1.00 1.23 C ATOM 1066 CG MET A 72 4.257 -7.716 -2.841 1.00 1.37 C ATOM 1067 SD MET A 72 5.165 -8.693 -1.622 1.00 2.19 S ATOM 1068 CE MET A 72 5.006 -7.671 -0.157 1.00 3.08 C ATOM 0 H MET A 72 4.494 -7.977 -5.513 1.00 0.99 H new ATOM 0 HA MET A 72 6.533 -5.980 -4.811 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.653 -6.107 -2.594 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.390 -5.786 -3.766 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.349 -7.325 -2.382 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.946 -8.365 -3.660 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.903 -7.770 0.455 1.00 3.08 H new ATOM 0 HE2 MET A 72 4.881 -6.629 -0.452 1.00 3.08 H new ATOM 0 HE3 MET A 72 4.137 -7.992 0.418 1.00 3.08 H new ATOM 1078 N ALA A 73 6.815 -9.191 -4.504 1.00 0.86 N ATOM 1079 CA ALA A 73 7.728 -10.295 -4.311 1.00 0.79 C ATOM 1080 C ALA A 73 8.789 -10.203 -5.400 1.00 0.71 C ATOM 1081 O ALA A 73 9.853 -10.820 -5.297 1.00 0.68 O ATOM 1082 CB ALA A 73 7.000 -11.630 -4.369 1.00 0.80 C ATOM 0 H ALA A 73 5.938 -9.457 -4.952 1.00 0.86 H new ATOM 0 HA ALA A 73 8.188 -10.236 -3.325 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.714 -12.440 -4.220 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.242 -11.666 -3.586 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.522 -11.742 -5.342 1.00 0.80 H new ATOM 1088 N ARG A 74 8.471 -9.417 -6.470 1.00 0.72 N ATOM 1089 CA ARG A 74 9.373 -9.169 -7.538 1.00 0.71 C ATOM 1090 C ARG A 74 10.419 -8.170 -7.086 1.00 0.73 C ATOM 1091 O ARG A 74 11.602 -8.347 -7.364 1.00 0.68 O ATOM 1092 CB ARG A 74 8.569 -8.611 -8.709 1.00 0.83 C ATOM 1093 CG ARG A 74 9.398 -8.040 -9.831 1.00 0.91 C ATOM 1094 CD ARG A 74 9.952 -9.109 -10.767 1.00 1.12 C ATOM 1095 NE ARG A 74 10.689 -8.527 -11.893 1.00 1.47 N ATOM 1096 CZ ARG A 74 11.258 -9.233 -12.881 1.00 1.90 C ATOM 1097 NH1 ARG A 74 11.189 -10.563 -12.906 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.901 -8.599 -13.853 1.00 2.55 N ATOM 0 H ARG A 74 7.568 -8.955 -6.577 1.00 0.72 H new ATOM 0 HA ARG A 74 9.881 -10.084 -7.843 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.939 -9.405 -9.110 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.903 -7.833 -8.336 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.790 -7.342 -10.406 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.226 -7.470 -9.410 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.610 -9.774 -10.208 1.00 1.12 H new ATOM 0 HD3 ARG A 74 9.132 -9.718 -11.147 1.00 1.12 H new ATOM 0 HE ARG A 74 10.775 -7.511 -11.927 1.00 1.47 H new ATOM 0 HH11 ARG A 74 10.697 -11.062 -12.165 1.00 2.18 H new ATOM 0 HH12 ARG A 74 11.628 -11.082 -13.666 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.960 -7.581 -13.846 1.00 2.55 H new ATOM 0 HH22 ARG A 74 12.336 -9.130 -14.608 1.00 2.55 H new ATOM 1112 N LYS A 75 9.962 -7.099 -6.409 1.00 0.86 N ATOM 1113 CA LYS A 75 10.860 -6.091 -5.864 1.00 0.95 C ATOM 1114 C LYS A 75 11.874 -6.753 -4.917 1.00 0.90 C ATOM 1115 O LYS A 75 12.896 -6.166 -4.555 1.00 0.96 O ATOM 1116 CB LYS A 75 10.045 -5.015 -5.150 1.00 1.19 C ATOM 1117 CG LYS A 75 8.739 -4.719 -5.872 1.00 1.28 C ATOM 1118 CD LYS A 75 8.922 -3.794 -7.063 1.00 1.40 C ATOM 1119 CE LYS A 75 8.096 -2.520 -6.936 1.00 2.25 C ATOM 1120 NZ LYS A 75 6.636 -2.777 -7.100 1.00 2.99 N ATOM 0 H LYS A 75 8.974 -6.919 -6.232 1.00 0.86 H new ATOM 0 HA LYS A 75 11.418 -5.615 -6.670 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.831 -5.338 -4.131 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.635 -4.101 -5.078 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.295 -5.656 -6.210 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.036 -4.268 -5.172 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.976 -3.533 -7.160 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.639 -4.319 -7.975 1.00 1.40 H new ATOM 0 HE2 LYS A 75 8.276 -2.068 -5.961 1.00 2.25 H new ATOM 0 HE3 LYS A 75 8.423 -1.800 -7.687 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 6.134 -1.873 -7.210 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 6.480 -3.364 -7.944 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 6.275 -3.274 -6.261 1.00 2.99 H new ATOM 1134 N MET A 76 11.534 -8.000 -4.531 1.00 0.85 N ATOM 1135 CA MET A 76 12.359 -8.845 -3.687 1.00 0.93 C ATOM 1136 C MET A 76 13.384 -9.581 -4.552 1.00 0.83 C ATOM 1137 O MET A 76 14.556 -9.683 -4.176 1.00 0.93 O ATOM 1138 CB MET A 76 11.511 -9.873 -2.920 1.00 1.07 C ATOM 1139 CG MET A 76 10.290 -9.284 -2.232 1.00 0.96 C ATOM 1140 SD MET A 76 9.276 -10.525 -1.399 1.00 1.64 S ATOM 1141 CE MET A 76 10.196 -10.773 0.121 1.00 2.37 C ATOM 0 H MET A 76 10.659 -8.443 -4.810 1.00 0.85 H new ATOM 0 HA MET A 76 12.864 -8.208 -2.960 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.185 -10.648 -3.613 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.137 -10.358 -2.171 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.614 -8.541 -1.504 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.681 -8.762 -2.970 1.00 0.96 H new ATOM 0 HE1 MET A 76 9.688 -11.515 0.737 1.00 2.37 H new ATOM 0 HE2 MET A 76 11.201 -11.124 -0.115 1.00 2.37 H new ATOM 0 HE3 MET A 76 10.259 -9.831 0.666 1.00 2.37 H new ATOM 1151 N LYS A 77 12.928 -10.095 -5.722 1.00 0.72 N ATOM 1152 CA LYS A 77 13.815 -10.802 -6.646 1.00 0.79 C ATOM 1153 C LYS A 77 14.554 -9.824 -7.584 1.00 0.78 C ATOM 1154 O LYS A 77 15.493 -10.208 -8.287 1.00 0.91 O ATOM 1155 CB LYS A 77 13.037 -11.885 -7.414 1.00 0.86 C ATOM 1156 CG LYS A 77 12.039 -11.399 -8.462 1.00 0.76 C ATOM 1157 CD LYS A 77 10.666 -12.054 -8.267 1.00 0.89 C ATOM 1158 CE LYS A 77 10.647 -13.541 -8.645 1.00 0.96 C ATOM 1159 NZ LYS A 77 11.193 -14.405 -7.561 1.00 1.75 N ATOM 0 H LYS A 77 11.959 -10.028 -6.035 1.00 0.72 H new ATOM 0 HA LYS A 77 14.588 -11.306 -6.066 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.758 -12.537 -7.907 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.499 -12.496 -6.689 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.940 -10.315 -8.399 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.415 -11.627 -9.459 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.364 -11.947 -7.225 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.928 -11.523 -8.869 1.00 0.89 H new ATOM 0 HE2 LYS A 77 9.624 -13.844 -8.868 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.229 -13.690 -9.554 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.796 -15.362 -7.647 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 12.229 -14.451 -7.642 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 10.936 -14.005 -6.636 1.00 1.75 H new ATOM 1173 N ASP A 78 14.100 -8.567 -7.569 1.00 0.74 N ATOM 1174 CA ASP A 78 14.681 -7.486 -8.363 1.00 0.79 C ATOM 1175 C ASP A 78 15.126 -6.354 -7.429 1.00 0.77 C ATOM 1176 O ASP A 78 14.293 -5.746 -6.747 1.00 0.80 O ATOM 1177 CB ASP A 78 13.648 -6.972 -9.373 1.00 0.84 C ATOM 1178 CG ASP A 78 14.285 -6.418 -10.634 1.00 1.19 C ATOM 1179 OD1 ASP A 78 15.033 -5.424 -10.535 1.00 1.66 O ATOM 1180 OD2 ASP A 78 14.034 -6.980 -11.721 1.00 1.92 O ATOM 0 H ASP A 78 13.309 -8.271 -6.997 1.00 0.74 H new ATOM 0 HA ASP A 78 15.548 -7.856 -8.911 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.972 -7.784 -9.640 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.044 -6.195 -8.905 1.00 0.84 H new ATOM 1185 N THR A 79 16.440 -6.081 -7.393 1.00 0.79 N ATOM 1186 CA THR A 79 16.991 -5.044 -6.518 1.00 0.82 C ATOM 1187 C THR A 79 16.976 -3.655 -7.146 1.00 0.73 C ATOM 1188 O THR A 79 17.757 -2.769 -6.777 1.00 0.78 O ATOM 1189 CB THR A 79 18.410 -5.382 -6.013 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.280 -5.650 -7.119 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.395 -6.578 -5.067 1.00 1.15 C ATOM 0 H THR A 79 17.136 -6.565 -7.960 1.00 0.79 H new ATOM 0 HA THR A 79 16.320 -5.024 -5.659 1.00 0.82 H new ATOM 0 HB THR A 79 18.780 -4.517 -5.462 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.177 -5.861 -6.786 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.410 -6.789 -4.731 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.767 -6.353 -4.205 1.00 1.15 H new ATOM 0 HG23 THR A 79 17.997 -7.449 -5.588 1.00 1.15 H new ATOM 1199 N ASP A 80 16.057 -3.480 -8.080 1.00 0.66 N ATOM 1200 CA ASP A 80 15.850 -2.205 -8.755 1.00 0.67 C ATOM 1201 C ASP A 80 14.870 -1.350 -7.933 1.00 0.66 C ATOM 1202 O ASP A 80 14.447 -0.270 -8.357 1.00 0.74 O ATOM 1203 CB ASP A 80 15.317 -2.432 -10.178 1.00 0.77 C ATOM 1204 CG ASP A 80 15.607 -1.267 -11.108 1.00 1.18 C ATOM 1205 OD1 ASP A 80 16.681 -1.268 -11.746 1.00 1.72 O ATOM 1206 OD2 ASP A 80 14.758 -0.354 -11.198 1.00 1.86 O ATOM 0 H ASP A 80 15.429 -4.220 -8.395 1.00 0.66 H new ATOM 0 HA ASP A 80 16.801 -1.678 -8.835 1.00 0.67 H new ATOM 0 HB2 ASP A 80 15.763 -3.338 -10.588 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.241 -2.598 -10.136 1.00 0.77 H new ATOM 1211 N SER A 81 14.560 -1.856 -6.726 1.00 0.67 N ATOM 1212 CA SER A 81 13.627 -1.226 -5.785 1.00 0.75 C ATOM 1213 C SER A 81 14.145 0.105 -5.210 1.00 0.68 C ATOM 1214 O SER A 81 13.354 0.894 -4.685 1.00 0.76 O ATOM 1215 CB SER A 81 13.340 -2.216 -4.653 1.00 0.92 C ATOM 1216 OG SER A 81 12.526 -1.646 -3.638 1.00 1.07 O ATOM 0 H SER A 81 14.958 -2.727 -6.375 1.00 0.67 H new ATOM 0 HA SER A 81 12.717 -0.981 -6.332 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.846 -3.098 -5.060 1.00 0.92 H new ATOM 0 HB3 SER A 81 14.281 -2.550 -4.217 1.00 0.92 H new ATOM 0 HG SER A 81 12.365 -2.311 -2.936 1.00 1.07 H new ATOM 1222 N GLU A 82 15.463 0.350 -5.310 1.00 0.62 N ATOM 1223 CA GLU A 82 16.068 1.595 -4.801 1.00 0.63 C ATOM 1224 C GLU A 82 15.626 2.803 -5.640 1.00 0.57 C ATOM 1225 O GLU A 82 15.468 3.910 -5.116 1.00 0.58 O ATOM 1226 CB GLU A 82 17.599 1.483 -4.797 1.00 0.72 C ATOM 1227 CG GLU A 82 18.284 2.425 -3.811 1.00 0.78 C ATOM 1228 CD GLU A 82 19.796 2.310 -3.849 1.00 1.34 C ATOM 1229 OE1 GLU A 82 20.428 3.056 -4.626 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.347 1.475 -3.102 1.00 2.12 O ATOM 0 H GLU A 82 16.128 -0.295 -5.737 1.00 0.62 H new ATOM 0 HA GLU A 82 15.723 1.745 -3.778 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.878 0.457 -4.558 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.971 1.689 -5.800 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.996 3.452 -4.035 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.932 2.208 -2.802 1.00 0.78 H new ATOM 1237 N GLU A 83 15.433 2.565 -6.942 1.00 0.55 N ATOM 1238 CA GLU A 83 14.991 3.600 -7.881 1.00 0.58 C ATOM 1239 C GLU A 83 13.460 3.681 -7.928 1.00 0.59 C ATOM 1240 O GLU A 83 12.897 4.718 -8.291 1.00 0.65 O ATOM 1241 CB GLU A 83 15.540 3.309 -9.282 1.00 0.64 C ATOM 1242 CG GLU A 83 17.031 3.575 -9.427 1.00 0.71 C ATOM 1243 CD GLU A 83 17.540 3.293 -10.827 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.538 4.225 -11.658 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.941 2.140 -11.092 1.00 1.27 O ATOM 0 H GLU A 83 15.579 1.652 -7.373 1.00 0.55 H new ATOM 0 HA GLU A 83 15.376 4.559 -7.535 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.341 2.266 -9.530 1.00 0.64 H new ATOM 0 HB3 GLU A 83 15.000 3.918 -10.007 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.237 4.614 -9.172 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.578 2.957 -8.714 1.00 0.71 H new ATOM 1252 N GLU A 84 12.805 2.571 -7.556 1.00 0.60 N ATOM 1253 CA GLU A 84 11.336 2.475 -7.548 1.00 0.68 C ATOM 1254 C GLU A 84 10.732 2.975 -6.231 1.00 0.63 C ATOM 1255 O GLU A 84 9.576 3.389 -6.204 1.00 0.69 O ATOM 1256 CB GLU A 84 10.876 1.018 -7.760 1.00 0.80 C ATOM 1257 CG GLU A 84 11.561 0.272 -8.903 1.00 1.14 C ATOM 1258 CD GLU A 84 11.015 0.644 -10.270 1.00 1.74 C ATOM 1259 OE1 GLU A 84 11.541 1.599 -10.880 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.063 -0.021 -10.730 1.00 2.31 O ATOM 0 H GLU A 84 13.275 1.718 -7.253 1.00 0.60 H new ATOM 0 HA GLU A 84 10.987 3.106 -8.365 1.00 0.68 H new ATOM 0 HB2 GLU A 84 11.044 0.464 -6.836 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.801 1.017 -7.942 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.630 0.482 -8.876 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.443 -0.801 -8.751 1.00 1.14 H new ATOM 1267 N ILE A 85 11.528 2.940 -5.150 1.00 0.57 N ATOM 1268 CA ILE A 85 11.074 3.337 -3.805 1.00 0.54 C ATOM 1269 C ILE A 85 10.781 4.850 -3.670 1.00 0.50 C ATOM 1270 O ILE A 85 9.958 5.247 -2.839 1.00 0.50 O ATOM 1271 CB ILE A 85 12.090 2.826 -2.730 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.397 2.556 -1.393 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.276 3.763 -2.526 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.271 1.083 -1.069 1.00 0.57 C ATOM 0 H ILE A 85 12.501 2.637 -5.182 1.00 0.57 H new ATOM 0 HA ILE A 85 10.111 2.858 -3.632 1.00 0.54 H new ATOM 0 HB ILE A 85 12.487 1.890 -3.123 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.955 3.049 -0.597 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.403 3.003 -1.410 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.941 3.349 -1.768 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.819 3.872 -3.465 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.917 4.739 -2.199 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.771 0.963 -0.108 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.688 0.588 -1.846 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.264 0.635 -1.020 1.00 0.57 H new ATOM 1286 N ARG A 86 11.453 5.674 -4.481 1.00 0.50 N ATOM 1287 CA ARG A 86 11.241 7.134 -4.468 1.00 0.50 C ATOM 1288 C ARG A 86 10.074 7.526 -5.377 1.00 0.52 C ATOM 1289 O ARG A 86 9.406 8.536 -5.139 1.00 0.53 O ATOM 1290 CB ARG A 86 12.512 7.900 -4.867 1.00 0.54 C ATOM 1291 CG ARG A 86 13.404 7.163 -5.843 1.00 1.10 C ATOM 1292 CD ARG A 86 14.502 8.067 -6.368 1.00 1.26 C ATOM 1293 NE ARG A 86 15.314 7.412 -7.400 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.244 8.029 -8.144 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.503 9.326 -7.988 1.00 1.78 N ATOM 1296 NH2 ARG A 86 16.918 7.338 -9.054 1.00 2.95 N ATOM 0 H ARG A 86 12.149 5.359 -5.156 1.00 0.50 H new ATOM 0 HA ARG A 86 10.994 7.413 -3.444 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.224 8.855 -5.307 1.00 0.54 H new ATOM 0 HB3 ARG A 86 13.085 8.123 -3.967 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.846 6.296 -5.353 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.807 6.789 -6.675 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.058 8.974 -6.779 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.145 8.372 -5.542 1.00 1.26 H new ATOM 0 HE ARG A 86 15.160 6.417 -7.563 1.00 1.79 H new ATOM 0 HH11 ARG A 86 15.990 9.868 -7.293 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.214 9.777 -8.564 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.727 6.344 -9.184 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.627 7.800 -9.624 1.00 2.95 H new ATOM 1310 N GLU A 87 9.842 6.714 -6.420 1.00 0.57 N ATOM 1311 CA GLU A 87 8.731 6.927 -7.359 1.00 0.63 C ATOM 1312 C GLU A 87 7.462 6.326 -6.773 1.00 0.62 C ATOM 1313 O GLU A 87 6.352 6.796 -7.038 1.00 0.65 O ATOM 1314 CB GLU A 87 9.040 6.307 -8.723 1.00 0.73 C ATOM 1315 CG GLU A 87 10.237 6.934 -9.424 1.00 0.77 C ATOM 1316 CD GLU A 87 10.575 6.247 -10.732 1.00 1.39 C ATOM 1317 OE1 GLU A 87 10.034 6.663 -11.778 1.00 2.08 O ATOM 1318 OE2 GLU A 87 11.380 5.292 -10.711 1.00 2.02 O ATOM 0 H GLU A 87 10.415 5.898 -6.635 1.00 0.57 H new ATOM 0 HA GLU A 87 8.591 7.998 -7.509 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.224 5.240 -8.594 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.163 6.404 -9.363 1.00 0.73 H new ATOM 0 HG2 GLU A 87 10.031 7.987 -9.614 1.00 0.77 H new ATOM 0 HG3 GLU A 87 11.102 6.893 -8.763 1.00 0.77 H new ATOM 1325 N ALA A 88 7.659 5.269 -5.970 1.00 0.60 N ATOM 1326 CA ALA A 88 6.578 4.615 -5.235 1.00 0.62 C ATOM 1327 C ALA A 88 6.144 5.539 -4.102 1.00 0.55 C ATOM 1328 O ALA A 88 5.073 5.379 -3.518 1.00 0.56 O ATOM 1329 CB ALA A 88 7.009 3.250 -4.729 1.00 0.70 C ATOM 0 H ALA A 88 8.575 4.847 -5.815 1.00 0.60 H new ATOM 0 HA ALA A 88 5.728 4.438 -5.894 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.185 2.787 -4.186 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.287 2.620 -5.574 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.865 3.362 -4.063 1.00 0.70 H new ATOM 1335 N PHE A 89 7.040 6.497 -3.794 1.00 0.51 N ATOM 1336 CA PHE A 89 6.791 7.544 -2.805 1.00 0.49 C ATOM 1337 C PHE A 89 5.918 8.608 -3.438 1.00 0.47 C ATOM 1338 O PHE A 89 4.992 9.130 -2.810 1.00 0.47 O ATOM 1339 CB PHE A 89 8.070 8.260 -2.379 1.00 0.51 C ATOM 1340 CG PHE A 89 8.065 8.654 -0.928 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.675 9.928 -0.560 1.00 1.27 C ATOM 1342 CD2 PHE A 89 8.435 7.757 0.061 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.654 10.308 0.766 1.00 1.29 C ATOM 1344 CE2 PHE A 89 8.416 8.130 1.392 1.00 1.22 C ATOM 1345 CZ PHE A 89 8.024 9.409 1.743 1.00 0.65 C ATOM 0 H PHE A 89 7.959 6.560 -4.231 1.00 0.51 H new ATOM 0 HA PHE A 89 6.333 7.062 -1.941 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.925 7.611 -2.571 1.00 0.51 H new ATOM 0 HB3 PHE A 89 8.203 9.152 -2.992 1.00 0.51 H new ATOM 0 HD1 PHE A 89 7.383 10.636 -1.321 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.741 6.757 -0.210 1.00 1.19 H new ATOM 0 HE1 PHE A 89 7.348 11.308 1.038 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.707 7.424 2.156 1.00 1.22 H new ATOM 0 HZ PHE A 89 8.008 9.703 2.782 1.00 0.65 H new ATOM 1355 N ARG A 90 6.239 8.921 -4.713 1.00 0.50 N ATOM 1356 CA ARG A 90 5.520 9.929 -5.475 1.00 0.54 C ATOM 1357 C ARG A 90 4.052 9.519 -5.681 1.00 0.54 C ATOM 1358 O ARG A 90 3.209 10.339 -6.055 1.00 0.60 O ATOM 1359 CB ARG A 90 6.221 10.172 -6.823 1.00 0.62 C ATOM 1360 CG ARG A 90 5.941 11.538 -7.451 1.00 1.26 C ATOM 1361 CD ARG A 90 4.779 11.476 -8.432 1.00 1.50 C ATOM 1362 NE ARG A 90 4.440 12.800 -8.968 1.00 2.03 N ATOM 1363 CZ ARG A 90 3.727 13.012 -10.084 1.00 2.50 C ATOM 1364 NH1 ARG A 90 3.260 11.997 -10.808 1.00 2.61 N ATOM 1365 NH2 ARG A 90 3.479 14.255 -10.475 1.00 3.17 N ATOM 0 H ARG A 90 7.000 8.478 -5.227 1.00 0.50 H new ATOM 0 HA ARG A 90 5.525 10.861 -4.910 1.00 0.54 H new ATOM 0 HB2 ARG A 90 7.297 10.065 -6.682 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.913 9.395 -7.523 1.00 0.62 H new ATOM 0 HG2 ARG A 90 5.717 12.261 -6.666 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.834 11.892 -7.966 1.00 1.26 H new ATOM 0 HD2 ARG A 90 5.034 10.807 -9.254 1.00 1.50 H new ATOM 0 HD3 ARG A 90 3.907 11.052 -7.934 1.00 1.50 H new ATOM 0 HE ARG A 90 4.770 13.617 -8.455 1.00 2.03 H new ATOM 0 HH11 ARG A 90 3.442 11.037 -10.517 1.00 2.61 H new ATOM 0 HH12 ARG A 90 2.720 12.180 -11.654 1.00 2.61 H new ATOM 0 HH21 ARG A 90 3.830 15.041 -9.928 1.00 3.17 H new ATOM 0 HH22 ARG A 90 2.938 14.425 -11.323 1.00 3.17 H new ATOM 1379 N VAL A 91 3.787 8.225 -5.432 1.00 0.51 N ATOM 1380 CA VAL A 91 2.470 7.606 -5.546 1.00 0.53 C ATOM 1381 C VAL A 91 1.377 8.426 -4.824 1.00 0.54 C ATOM 1382 O VAL A 91 0.312 8.682 -5.395 1.00 0.60 O ATOM 1383 CB VAL A 91 2.569 6.147 -5.007 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.170 6.012 -3.536 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.783 5.202 -5.890 1.00 0.59 C ATOM 0 H VAL A 91 4.510 7.568 -5.138 1.00 0.51 H new ATOM 0 HA VAL A 91 2.166 7.584 -6.593 1.00 0.53 H new ATOM 0 HB VAL A 91 3.622 5.868 -5.047 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.263 4.971 -3.228 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.825 6.631 -2.923 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.138 6.338 -3.408 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.863 4.188 -5.499 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.736 5.504 -5.904 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.183 5.233 -6.903 1.00 0.59 H new ATOM 1395 N PHE A 92 1.660 8.826 -3.575 1.00 0.49 N ATOM 1396 CA PHE A 92 0.746 9.641 -2.806 1.00 0.54 C ATOM 1397 C PHE A 92 1.300 11.055 -2.679 1.00 0.60 C ATOM 1398 O PHE A 92 0.539 12.025 -2.627 1.00 0.69 O ATOM 1399 CB PHE A 92 0.434 9.061 -1.420 1.00 0.53 C ATOM 1400 CG PHE A 92 -0.907 9.526 -0.901 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -0.990 10.531 0.048 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -2.085 8.979 -1.395 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.219 10.982 0.495 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -3.313 9.422 -0.949 1.00 2.68 C ATOM 1405 CZ PHE A 92 -3.381 10.427 -0.004 1.00 2.89 C ATOM 0 H PHE A 92 2.523 8.589 -3.086 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.199 9.657 -3.349 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.445 7.972 -1.472 1.00 0.53 H new ATOM 0 HB3 PHE A 92 1.216 9.355 -0.720 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -0.085 10.968 0.444 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -2.039 8.197 -2.138 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -2.270 11.768 1.234 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -4.220 8.984 -1.338 1.00 2.68 H new ATOM 0 HZ PHE A 92 -4.341 10.778 0.344 1.00 2.89 H new ATOM 1415 N ALA A 93 2.643 11.152 -2.622 1.00 0.57 N ATOM 1416 CA ALA A 93 3.343 12.444 -2.523 1.00 0.66 C ATOM 1417 C ALA A 93 2.953 13.379 -3.679 1.00 0.85 C ATOM 1418 O ALA A 93 2.402 14.458 -3.449 1.00 1.63 O ATOM 1419 CB ALA A 93 4.866 12.246 -2.471 1.00 0.65 C ATOM 0 H ALA A 93 3.266 10.345 -2.643 1.00 0.57 H new ATOM 0 HA ALA A 93 3.032 12.916 -1.591 1.00 0.66 H new ATOM 0 HB1 ALA A 93 5.357 13.217 -2.398 1.00 0.65 H new ATOM 0 HB2 ALA A 93 5.125 11.642 -1.601 1.00 0.65 H new ATOM 0 HB3 ALA A 93 5.198 11.739 -3.377 1.00 0.65 H new ATOM 1425 N LYS A 94 3.227 12.933 -4.929 1.00 1.24 N ATOM 1426 CA LYS A 94 2.910 13.680 -6.180 1.00 1.42 C ATOM 1427 C LYS A 94 3.539 15.081 -6.260 1.00 1.36 C ATOM 1428 O LYS A 94 3.468 15.734 -7.307 1.00 1.78 O ATOM 1429 CB LYS A 94 1.389 13.778 -6.391 1.00 1.75 C ATOM 1430 CG LYS A 94 0.723 12.441 -6.679 1.00 2.06 C ATOM 1431 CD LYS A 94 -0.791 12.567 -6.710 1.00 2.52 C ATOM 1432 CE LYS A 94 -1.455 11.226 -6.974 1.00 2.90 C ATOM 1433 NZ LYS A 94 -2.939 11.338 -7.010 1.00 3.37 N ATOM 0 H LYS A 94 3.679 12.035 -5.103 1.00 1.24 H new ATOM 0 HA LYS A 94 3.362 13.096 -6.981 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.935 14.215 -5.502 1.00 1.75 H new ATOM 0 HB3 LYS A 94 1.189 14.459 -7.218 1.00 1.75 H new ATOM 0 HG2 LYS A 94 1.077 12.056 -7.635 1.00 2.06 H new ATOM 0 HG3 LYS A 94 1.013 11.717 -5.917 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -1.143 12.968 -5.760 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -1.082 13.277 -7.484 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -1.098 10.825 -7.923 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -1.163 10.518 -6.199 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -3.353 10.402 -7.192 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -3.282 11.697 -6.096 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -3.219 11.994 -7.767 1.00 3.37 H new ATOM 1447 N ASP A 95 4.157 15.528 -5.167 1.00 1.40 N ATOM 1448 CA ASP A 95 4.805 16.839 -5.115 1.00 1.71 C ATOM 1449 C ASP A 95 6.211 16.784 -5.721 1.00 1.53 C ATOM 1450 O ASP A 95 6.874 17.817 -5.871 1.00 1.84 O ATOM 1451 CB ASP A 95 4.870 17.345 -3.671 1.00 2.30 C ATOM 1452 CG ASP A 95 3.504 17.716 -3.121 1.00 2.81 C ATOM 1453 OD1 ASP A 95 2.882 16.865 -2.451 1.00 3.23 O ATOM 1454 OD2 ASP A 95 3.058 18.858 -3.362 1.00 3.21 O ATOM 0 H ASP A 95 4.223 14.997 -4.299 1.00 1.40 H new ATOM 0 HA ASP A 95 4.208 17.533 -5.706 1.00 1.71 H new ATOM 0 HB2 ASP A 95 5.315 16.576 -3.040 1.00 2.30 H new ATOM 0 HB3 ASP A 95 5.525 18.215 -3.624 1.00 2.30 H new ATOM 1459 N GLY A 96 6.651 15.562 -6.075 1.00 1.38 N ATOM 1460 CA GLY A 96 7.974 15.362 -6.667 1.00 1.83 C ATOM 1461 C GLY A 96 9.122 15.577 -5.692 1.00 1.85 C ATOM 1462 O GLY A 96 10.256 15.828 -6.111 1.00 2.43 O ATOM 0 H GLY A 96 6.108 14.706 -5.960 1.00 1.38 H new ATOM 0 HA2 GLY A 96 8.034 14.350 -7.066 1.00 1.83 H new ATOM 0 HA3 GLY A 96 8.092 16.044 -7.509 1.00 1.83 H new ATOM 1466 N ASN A 97 8.818 15.476 -4.398 1.00 1.55 N ATOM 1467 CA ASN A 97 9.809 15.664 -3.348 1.00 1.99 C ATOM 1468 C ASN A 97 9.712 14.554 -2.307 1.00 1.78 C ATOM 1469 O ASN A 97 10.710 13.890 -2.008 1.00 2.66 O ATOM 1470 CB ASN A 97 9.658 17.043 -2.686 1.00 2.43 C ATOM 1471 CG ASN A 97 10.050 18.182 -3.609 1.00 3.41 C ATOM 1472 OD1 ASN A 97 11.208 18.597 -3.645 1.00 4.01 O ATOM 1473 ND2 ASN A 97 9.083 18.693 -4.363 1.00 4.00 N ATOM 0 H ASN A 97 7.882 15.263 -4.053 1.00 1.55 H new ATOM 0 HA ASN A 97 10.796 15.617 -3.808 1.00 1.99 H new ATOM 0 HB2 ASN A 97 8.624 17.178 -2.368 1.00 2.43 H new ATOM 0 HB3 ASN A 97 10.275 17.080 -1.788 1.00 2.43 H new ATOM 0 HD21 ASN A 97 9.287 19.460 -5.004 1.00 4.00 H new ATOM 0 HD22 ASN A 97 8.136 18.318 -4.301 1.00 4.00 H new ATOM 1480 N GLY A 98 8.506 14.361 -1.761 1.00 1.20 N ATOM 1481 CA GLY A 98 8.284 13.320 -0.776 1.00 1.80 C ATOM 1482 C GLY A 98 8.090 13.840 0.633 1.00 1.46 C ATOM 1483 O GLY A 98 9.036 13.870 1.419 1.00 1.68 O ATOM 0 H GLY A 98 7.679 14.913 -1.989 1.00 1.20 H new ATOM 0 HA2 GLY A 98 7.406 12.742 -1.064 1.00 1.80 H new ATOM 0 HA3 GLY A 98 9.133 12.636 -0.787 1.00 1.80 H new ATOM 1487 N TYR A 99 6.857 14.265 0.938 1.00 1.07 N ATOM 1488 CA TYR A 99 6.487 14.754 2.273 1.00 0.84 C ATOM 1489 C TYR A 99 5.005 14.471 2.525 1.00 0.81 C ATOM 1490 O TYR A 99 4.127 15.197 2.044 1.00 0.96 O ATOM 1491 CB TYR A 99 6.831 16.255 2.471 1.00 1.07 C ATOM 1492 CG TYR A 99 6.248 17.214 1.445 1.00 1.57 C ATOM 1493 CD1 TYR A 99 6.841 17.382 0.200 1.00 2.28 C ATOM 1494 CD2 TYR A 99 5.113 17.962 1.737 1.00 2.37 C ATOM 1495 CE1 TYR A 99 6.320 18.267 -0.724 1.00 3.13 C ATOM 1496 CE2 TYR A 99 4.584 18.846 0.816 1.00 3.24 C ATOM 1497 CZ TYR A 99 5.191 18.996 -0.412 1.00 3.46 C ATOM 1498 OH TYR A 99 4.671 19.879 -1.329 1.00 4.47 O ATOM 0 H TYR A 99 6.089 14.280 0.267 1.00 1.07 H new ATOM 0 HA TYR A 99 7.081 14.216 3.012 1.00 0.84 H new ATOM 0 HB2 TYR A 99 6.487 16.559 3.460 1.00 1.07 H new ATOM 0 HB3 TYR A 99 7.916 16.363 2.464 1.00 1.07 H new ATOM 0 HD1 TYR A 99 7.723 16.812 -0.050 1.00 2.28 H new ATOM 0 HD2 TYR A 99 4.637 17.850 2.700 1.00 2.37 H new ATOM 0 HE1 TYR A 99 6.795 18.388 -1.687 1.00 3.13 H new ATOM 0 HE2 TYR A 99 3.699 19.416 1.057 1.00 3.24 H new ATOM 0 HH TYR A 99 3.876 20.311 -0.953 1.00 4.47 H new ATOM 1508 N ILE A 100 4.735 13.388 3.264 1.00 1.17 N ATOM 1509 CA ILE A 100 3.357 12.986 3.556 1.00 1.39 C ATOM 1510 C ILE A 100 3.126 12.681 5.041 1.00 1.13 C ATOM 1511 O ILE A 100 3.603 11.674 5.569 1.00 1.43 O ATOM 1512 CB ILE A 100 2.888 11.783 2.677 1.00 2.12 C ATOM 1513 CG1 ILE A 100 3.905 10.617 2.690 1.00 2.36 C ATOM 1514 CG2 ILE A 100 2.636 12.258 1.247 1.00 2.84 C ATOM 1515 CD1 ILE A 100 3.280 9.249 2.479 1.00 3.08 C ATOM 0 H ILE A 100 5.448 12.780 3.667 1.00 1.17 H new ATOM 0 HA ILE A 100 2.747 13.852 3.299 1.00 1.39 H new ATOM 0 HB ILE A 100 1.961 11.400 3.104 1.00 2.12 H new ATOM 0 HG12 ILE A 100 4.649 10.789 1.912 1.00 2.36 H new ATOM 0 HG13 ILE A 100 4.434 10.620 3.643 1.00 2.36 H new ATOM 0 HG21 ILE A 100 2.309 11.416 0.636 1.00 2.84 H new ATOM 0 HG22 ILE A 100 1.863 13.026 1.250 1.00 2.84 H new ATOM 0 HG23 ILE A 100 3.556 12.671 0.833 1.00 2.84 H new ATOM 0 HD11 ILE A 100 4.058 8.486 2.502 1.00 3.08 H new ATOM 0 HD12 ILE A 100 2.557 9.053 3.271 1.00 3.08 H new ATOM 0 HD13 ILE A 100 2.776 9.224 1.513 1.00 3.08 H new ATOM 1527 N SER A 101 2.393 13.593 5.694 1.00 0.79 N ATOM 1528 CA SER A 101 2.013 13.499 7.107 1.00 0.64 C ATOM 1529 C SER A 101 1.249 12.247 7.451 1.00 0.64 C ATOM 1530 O SER A 101 0.542 11.667 6.625 1.00 0.70 O ATOM 1531 CB SER A 101 1.172 14.730 7.480 1.00 0.71 C ATOM 1532 OG SER A 101 0.934 14.799 8.877 1.00 1.45 O ATOM 0 H SER A 101 2.040 14.436 5.242 1.00 0.79 H new ATOM 0 HA SER A 101 2.939 13.459 7.681 1.00 0.64 H new ATOM 0 HB2 SER A 101 1.686 15.634 7.153 1.00 0.71 H new ATOM 0 HB3 SER A 101 0.220 14.695 6.950 1.00 0.71 H new ATOM 0 HG SER A 101 1.233 15.668 9.217 1.00 1.45 H new ATOM 1538 N ALA A 102 1.431 11.846 8.711 1.00 0.72 N ATOM 1539 CA ALA A 102 0.735 10.697 9.288 1.00 0.83 C ATOM 1540 C ALA A 102 -0.766 10.979 9.301 1.00 0.77 C ATOM 1541 O ALA A 102 -1.586 10.076 9.480 1.00 0.87 O ATOM 1542 CB ALA A 102 1.236 10.426 10.696 1.00 1.01 C ATOM 0 H ALA A 102 2.066 12.310 9.360 1.00 0.72 H new ATOM 0 HA ALA A 102 0.933 9.812 8.684 1.00 0.83 H new ATOM 0 HB1 ALA A 102 0.708 9.568 11.111 1.00 1.01 H new ATOM 0 HB2 ALA A 102 2.305 10.215 10.668 1.00 1.01 H new ATOM 0 HB3 ALA A 102 1.055 11.300 11.321 1.00 1.01 H new ATOM 1548 N ALA A 103 -1.087 12.269 9.092 1.00 0.68 N ATOM 1549 CA ALA A 103 -2.467 12.755 9.035 1.00 0.71 C ATOM 1550 C ALA A 103 -3.080 12.470 7.661 1.00 0.64 C ATOM 1551 O ALA A 103 -4.303 12.498 7.498 1.00 0.71 O ATOM 1552 CB ALA A 103 -2.516 14.244 9.341 1.00 0.84 C ATOM 0 H ALA A 103 -0.390 13.002 8.958 1.00 0.68 H new ATOM 0 HA ALA A 103 -3.052 12.227 9.788 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -3.548 14.591 9.295 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.117 14.424 10.339 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -1.918 14.786 8.608 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.201 12.194 6.678 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.604 11.876 5.309 1.00 0.69 C ATOM 1560 C GLU A 104 -3.276 10.508 5.218 1.00 0.67 C ATOM 1561 O GLU A 104 -3.942 10.208 4.225 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.428 11.974 4.359 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.101 13.412 3.985 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.117 13.543 2.836 1.00 1.24 C ATOM 1565 OE1 GLU A 104 0.835 14.338 2.965 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.305 12.867 1.801 1.00 1.65 O ATOM 0 H GLU A 104 -1.191 12.187 6.819 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.343 12.618 5.007 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.554 11.514 4.819 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.648 11.407 3.454 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.025 13.926 3.719 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -0.693 13.920 4.859 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.071 9.667 6.257 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.694 8.339 6.348 1.00 0.80 C ATOM 1575 C LEU A 105 -5.208 8.416 6.251 1.00 0.68 C ATOM 1576 O LEU A 105 -5.884 7.457 5.869 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.304 7.675 7.658 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.157 6.683 7.562 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -0.974 7.160 8.384 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.623 5.307 8.009 1.00 1.81 C ATOM 0 H LEU A 105 -2.471 9.894 7.050 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.333 7.748 5.507 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -3.034 8.451 8.374 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.176 7.160 8.060 1.00 1.07 H new ATOM 0 HG LEU A 105 -1.832 6.612 6.524 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -0.161 6.438 8.305 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -0.638 8.127 8.011 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.272 7.257 9.428 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -1.795 4.601 7.937 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -2.968 5.357 9.042 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.440 4.974 7.369 1.00 1.81 H new ATOM 1592 N ARG A 106 -5.698 9.584 6.610 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.101 9.926 6.571 1.00 0.68 C ATOM 1594 C ARG A 106 -7.512 10.237 5.122 1.00 0.66 C ATOM 1595 O ARG A 106 -8.656 9.993 4.728 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.262 11.131 7.493 1.00 0.79 C ATOM 1597 CG ARG A 106 -8.527 11.968 7.302 1.00 0.97 C ATOM 1598 CD ARG A 106 -8.583 13.125 8.286 1.00 1.46 C ATOM 1599 NE ARG A 106 -9.794 13.935 8.116 1.00 1.70 N ATOM 1600 CZ ARG A 106 -10.130 14.980 8.886 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -9.355 15.368 9.897 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -11.253 15.641 8.640 1.00 2.39 N ATOM 0 H ARG A 106 -5.109 10.345 6.948 1.00 0.65 H new ATOM 0 HA ARG A 106 -7.745 9.113 6.906 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -7.238 10.778 8.524 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -6.398 11.782 7.359 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -8.559 12.354 6.283 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -9.406 11.336 7.431 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.547 12.737 9.304 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.704 13.756 8.154 1.00 1.46 H new ATOM 0 HE ARG A 106 -10.427 13.685 7.356 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -8.489 14.868 10.097 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -9.628 16.165 10.472 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -11.855 15.354 7.869 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -11.514 16.437 9.222 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.555 10.778 4.345 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.786 11.112 2.940 1.00 0.82 C ATOM 1618 C HIS A 107 -6.580 9.905 2.021 1.00 0.87 C ATOM 1619 O HIS A 107 -7.324 9.741 1.055 1.00 1.00 O ATOM 1620 CB HIS A 107 -5.870 12.259 2.509 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.256 13.588 3.083 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -6.955 14.542 2.372 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.036 14.121 4.308 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -7.147 15.604 3.135 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -6.600 15.373 4.313 1.00 1.46 N ATOM 0 H HIS A 107 -5.614 10.991 4.675 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.826 11.424 2.848 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -4.848 12.027 2.808 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.876 12.328 1.421 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.514 13.650 5.128 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -7.663 16.507 2.844 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -6.597 16.021 5.101 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.574 9.058 2.324 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.291 7.860 1.510 1.00 1.11 C ATOM 1636 C VAL A 108 -6.442 6.841 1.594 1.00 0.96 C ATOM 1637 O VAL A 108 -6.635 6.046 0.670 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.965 7.121 1.897 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.487 6.241 0.744 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.842 8.074 2.301 1.00 0.86 C ATOM 0 H VAL A 108 -4.949 9.181 3.121 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.180 8.243 0.495 1.00 1.11 H new ATOM 0 HB VAL A 108 -4.203 6.508 2.767 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -2.565 5.735 1.030 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -4.251 5.499 0.512 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.304 6.860 -0.134 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.952 7.500 2.557 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.616 8.743 1.470 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.156 8.661 3.164 1.00 0.86 H new ATOM 1650 N MET A 109 -7.197 6.875 2.704 1.00 0.88 N ATOM 1651 CA MET A 109 -8.312 5.947 2.909 1.00 0.80 C ATOM 1652 C MET A 109 -9.605 6.460 2.279 1.00 0.72 C ATOM 1653 O MET A 109 -10.353 5.686 1.681 1.00 0.73 O ATOM 1654 CB MET A 109 -8.467 5.609 4.417 1.00 0.80 C ATOM 1655 CG MET A 109 -9.091 6.710 5.268 1.00 1.72 C ATOM 1656 SD MET A 109 -9.325 6.215 6.986 1.00 2.24 S ATOM 1657 CE MET A 109 -10.377 7.537 7.579 1.00 3.24 C ATOM 0 H MET A 109 -7.053 7.534 3.469 1.00 0.88 H new ATOM 0 HA MET A 109 -8.082 5.016 2.391 1.00 0.80 H new ATOM 0 HB2 MET A 109 -9.076 4.710 4.511 1.00 0.80 H new ATOM 0 HB3 MET A 109 -7.484 5.371 4.823 1.00 0.80 H new ATOM 0 HG2 MET A 109 -8.455 7.595 5.233 1.00 1.72 H new ATOM 0 HG3 MET A 109 -10.054 6.992 4.841 1.00 1.72 H new ATOM 0 HE1 MET A 109 -10.852 7.233 8.512 1.00 3.24 H new ATOM 0 HE2 MET A 109 -9.776 8.430 7.752 1.00 3.24 H new ATOM 0 HE3 MET A 109 -11.143 7.754 6.835 1.00 3.24 H new ATOM 1667 N THR A 110 -9.837 7.764 2.388 1.00 0.72 N ATOM 1668 CA THR A 110 -11.025 8.396 1.806 1.00 0.77 C ATOM 1669 C THR A 110 -10.789 8.620 0.310 1.00 0.89 C ATOM 1670 O THR A 110 -11.740 8.847 -0.444 1.00 0.97 O ATOM 1671 CB THR A 110 -11.379 9.726 2.515 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.204 9.586 3.931 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.818 10.153 2.233 1.00 0.97 C ATOM 0 H THR A 110 -9.217 8.410 2.876 1.00 0.72 H new ATOM 0 HA THR A 110 -11.877 7.731 1.948 1.00 0.77 H new ATOM 0 HB THR A 110 -10.710 10.492 2.124 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.249 9.615 4.147 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.027 11.090 2.748 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.953 10.291 1.160 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.502 9.383 2.589 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.501 8.575 -0.106 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.140 8.657 -1.528 1.00 1.14 C ATOM 1683 C ASN A 111 -9.794 7.465 -2.220 1.00 1.13 C ATOM 1684 O ASN A 111 -10.168 7.525 -3.395 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.622 8.620 -1.723 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.056 9.969 -2.122 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.988 10.220 -3.424 1.00 2.08 O flip ATOM 1688 ND2 ASN A 111 -6.684 10.777 -1.271 1.00 1.85 N flip ATOM 0 H ASN A 111 -8.704 8.483 0.524 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.487 9.600 -1.951 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.148 8.289 -0.799 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.375 7.885 -2.489 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.754 10.543 -0.281 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.306 11.680 -1.556 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.913 6.376 -1.436 1.00 1.02 N ATOM 1696 CA LEU A 112 -10.601 5.164 -1.853 1.00 1.04 C ATOM 1697 C LEU A 112 -12.051 5.249 -1.353 1.00 0.95 C ATOM 1698 O LEU A 112 -12.934 4.529 -1.829 1.00 1.02 O ATOM 1699 CB LEU A 112 -9.906 3.928 -1.275 1.00 1.07 C ATOM 1700 CG LEU A 112 -8.477 3.693 -1.774 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -7.581 3.250 -0.629 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -8.465 2.663 -2.894 1.00 1.54 C ATOM 0 H LEU A 112 -9.528 6.324 -0.493 1.00 1.02 H new ATOM 0 HA LEU A 112 -10.582 5.075 -2.939 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -9.885 4.017 -0.189 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -10.506 3.049 -1.511 1.00 1.07 H new ATOM 0 HG LEU A 112 -8.090 4.632 -2.169 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -6.569 3.087 -1.001 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -7.565 4.022 0.140 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.965 2.322 -0.204 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -7.441 2.509 -3.236 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -8.870 1.720 -2.526 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -9.075 3.021 -3.724 1.00 1.54 H new ATOM 1714 N GLY A 113 -12.262 6.158 -0.372 1.00 0.83 N ATOM 1715 CA GLY A 113 -13.577 6.402 0.215 1.00 0.82 C ATOM 1716 C GLY A 113 -13.933 5.439 1.325 1.00 0.76 C ATOM 1717 O GLY A 113 -15.105 5.118 1.542 1.00 0.82 O ATOM 0 H GLY A 113 -11.521 6.735 0.025 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -13.609 7.420 0.604 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -14.333 6.336 -0.568 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.898 4.992 2.015 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.992 4.047 3.120 1.00 0.70 C ATOM 1723 C GLU A 114 -13.780 4.606 4.292 1.00 0.73 C ATOM 1724 O GLU A 114 -13.729 5.807 4.576 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.598 3.715 3.599 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.892 2.658 2.762 1.00 0.79 C ATOM 1727 CD GLU A 114 -9.512 2.321 3.291 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -8.529 2.926 2.813 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -9.414 1.453 4.184 1.00 2.12 O ATOM 0 H GLU A 114 -11.941 5.283 1.818 1.00 0.70 H new ATOM 0 HA GLU A 114 -13.512 3.162 2.753 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.998 4.625 3.598 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -11.652 3.370 4.632 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -11.499 1.753 2.739 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.807 3.011 1.734 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.501 3.717 4.955 1.00 0.82 N ATOM 1737 CA LYS A 115 -15.312 4.059 6.074 1.00 0.92 C ATOM 1738 C LYS A 115 -14.755 3.474 7.359 1.00 1.06 C ATOM 1739 O LYS A 115 -14.732 2.254 7.561 1.00 1.21 O ATOM 1740 CB LYS A 115 -16.722 3.591 5.834 1.00 1.04 C ATOM 1741 CG LYS A 115 -17.365 4.214 4.596 1.00 1.05 C ATOM 1742 CD LYS A 115 -18.500 3.356 4.047 1.00 1.31 C ATOM 1743 CE LYS A 115 -18.023 2.427 2.936 1.00 1.23 C ATOM 1744 NZ LYS A 115 -19.127 1.581 2.405 1.00 1.56 N ATOM 0 H LYS A 115 -14.528 2.726 4.714 1.00 0.82 H new ATOM 0 HA LYS A 115 -15.312 5.143 6.188 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -16.724 2.506 5.728 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -17.329 3.827 6.708 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.747 5.204 4.846 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.608 4.350 3.824 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.932 2.765 4.855 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -19.292 4.001 3.666 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -17.598 3.019 2.126 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -17.226 1.787 3.315 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -18.760 0.964 1.652 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -19.516 0.997 3.172 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -19.877 2.190 2.019 1.00 1.56 H new ATOM 1758 N LEU A 116 -14.295 4.373 8.204 1.00 1.10 N ATOM 1759 CA LEU A 116 -13.701 4.031 9.494 1.00 1.28 C ATOM 1760 C LEU A 116 -14.269 4.923 10.596 1.00 1.19 C ATOM 1761 O LEU A 116 -14.928 5.927 10.303 1.00 1.19 O ATOM 1762 CB LEU A 116 -12.171 4.168 9.414 1.00 1.54 C ATOM 1763 CG LEU A 116 -11.420 2.935 8.891 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -11.364 2.934 7.368 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -10.015 2.885 9.473 1.00 3.12 C ATOM 0 H LEU A 116 -14.320 5.376 8.019 1.00 1.10 H new ATOM 0 HA LEU A 116 -13.947 2.997 9.737 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -11.933 5.015 8.771 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -11.793 4.406 10.408 1.00 1.54 H new ATOM 0 HG LEU A 116 -11.964 2.046 9.210 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.827 2.050 7.024 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -12.377 2.922 6.967 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.848 3.830 7.022 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -9.495 2.006 9.093 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -9.469 3.783 9.183 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -10.073 2.831 10.560 1.00 3.12 H new ATOM 1777 N THR A 117 -14.015 4.562 11.864 1.00 1.15 N ATOM 1778 CA THR A 117 -14.490 5.361 12.999 1.00 1.08 C ATOM 1779 C THR A 117 -13.561 6.561 13.206 1.00 0.99 C ATOM 1780 O THR A 117 -12.387 6.514 12.822 1.00 0.98 O ATOM 1781 CB THR A 117 -14.585 4.535 14.308 1.00 1.04 C ATOM 1782 OG1 THR A 117 -14.776 3.146 14.009 1.00 1.34 O ATOM 1783 CG2 THR A 117 -15.742 5.020 15.176 1.00 1.40 C ATOM 0 H THR A 117 -13.488 3.729 12.125 1.00 1.15 H new ATOM 0 HA THR A 117 -15.498 5.702 12.761 1.00 1.08 H new ATOM 0 HB THR A 117 -13.650 4.668 14.853 1.00 1.04 H new ATOM 0 HG1 THR A 117 -14.991 2.661 14.833 1.00 1.34 H new ATOM 0 HG21 THR A 117 -15.787 4.425 16.088 1.00 1.40 H new ATOM 0 HG22 THR A 117 -15.589 6.068 15.434 1.00 1.40 H new ATOM 0 HG23 THR A 117 -16.678 4.914 14.627 1.00 1.40 H new ATOM 1791 N ASP A 118 -14.091 7.629 13.813 1.00 1.00 N ATOM 1792 CA ASP A 118 -13.327 8.865 14.048 1.00 1.00 C ATOM 1793 C ASP A 118 -12.076 8.631 14.908 1.00 0.90 C ATOM 1794 O ASP A 118 -11.014 9.184 14.613 1.00 0.96 O ATOM 1795 CB ASP A 118 -14.228 9.921 14.701 1.00 1.07 C ATOM 1796 CG ASP A 118 -13.798 11.342 14.380 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -14.272 11.891 13.363 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -12.989 11.905 15.147 1.00 2.05 O ATOM 0 H ASP A 118 -15.052 7.664 14.153 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.984 9.222 13.077 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -15.255 9.773 14.367 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -14.221 9.780 15.782 1.00 1.07 H new ATOM 1803 N GLU A 119 -12.210 7.813 15.959 1.00 0.82 N ATOM 1804 CA GLU A 119 -11.098 7.515 16.856 1.00 0.81 C ATOM 1805 C GLU A 119 -10.284 6.305 16.406 1.00 0.77 C ATOM 1806 O GLU A 119 -9.123 6.167 16.805 1.00 0.78 O ATOM 1807 CB GLU A 119 -11.592 7.316 18.292 1.00 0.89 C ATOM 1808 CG GLU A 119 -12.018 8.605 18.981 1.00 1.11 C ATOM 1809 CD GLU A 119 -12.504 8.375 20.399 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -13.718 8.146 20.580 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -11.670 8.424 21.327 1.00 2.07 O ATOM 0 H GLU A 119 -13.083 7.346 16.206 1.00 0.82 H new ATOM 0 HA GLU A 119 -10.435 8.379 16.822 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -12.434 6.624 18.284 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -10.800 6.847 18.877 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -11.178 9.299 18.997 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -12.811 9.078 18.401 1.00 1.11 H new ATOM 1818 N GLU A 120 -10.883 5.429 15.583 1.00 0.77 N ATOM 1819 CA GLU A 120 -10.198 4.257 15.068 1.00 0.80 C ATOM 1820 C GLU A 120 -9.008 4.675 14.209 1.00 0.80 C ATOM 1821 O GLU A 120 -7.909 4.136 14.365 1.00 0.81 O ATOM 1822 CB GLU A 120 -11.180 3.399 14.269 1.00 0.97 C ATOM 1823 CG GLU A 120 -11.977 2.415 15.117 1.00 1.21 C ATOM 1824 CD GLU A 120 -11.193 1.162 15.468 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -11.252 0.187 14.690 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -10.521 1.157 16.522 1.00 1.93 O ATOM 0 H GLU A 120 -11.848 5.522 15.265 1.00 0.77 H new ATOM 0 HA GLU A 120 -9.818 3.665 15.900 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -11.874 4.054 13.743 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -10.628 2.844 13.510 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -12.293 2.909 16.036 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -12.882 2.132 14.580 1.00 1.21 H new ATOM 1833 N VAL A 121 -9.239 5.640 13.304 1.00 0.84 N ATOM 1834 CA VAL A 121 -8.202 6.166 12.472 1.00 0.92 C ATOM 1835 C VAL A 121 -7.431 7.293 13.160 1.00 0.88 C ATOM 1836 O VAL A 121 -6.325 7.608 12.737 1.00 0.93 O ATOM 1837 CB VAL A 121 -8.733 6.581 11.086 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -8.924 8.066 10.969 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -7.774 6.096 10.037 1.00 2.24 C ATOM 0 H VAL A 121 -10.155 6.061 13.147 1.00 0.84 H new ATOM 0 HA VAL A 121 -7.488 5.360 12.305 1.00 0.92 H new ATOM 0 HB VAL A 121 -9.714 6.127 10.945 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -9.299 8.307 9.975 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -9.641 8.401 11.719 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -7.970 8.569 11.129 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -8.138 6.383 9.051 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -6.794 6.542 10.206 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -7.693 5.010 10.092 1.00 2.24 H new ATOM 1849 N ASP A 122 -8.015 7.898 14.212 1.00 0.86 N ATOM 1850 CA ASP A 122 -7.332 8.973 14.942 1.00 0.95 C ATOM 1851 C ASP A 122 -6.190 8.393 15.772 1.00 0.84 C ATOM 1852 O ASP A 122 -5.248 9.098 16.141 1.00 0.89 O ATOM 1853 CB ASP A 122 -8.306 9.748 15.833 1.00 1.08 C ATOM 1854 CG ASP A 122 -7.884 11.192 16.044 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.295 12.054 15.239 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -7.143 11.458 17.013 1.00 1.76 O ATOM 0 H ASP A 122 -8.942 7.663 14.568 1.00 0.86 H new ATOM 0 HA ASP A 122 -6.923 9.674 14.215 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -9.299 9.726 15.384 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -8.382 9.251 16.800 1.00 1.08 H new ATOM 1861 N GLU A 123 -6.314 7.101 16.066 1.00 0.75 N ATOM 1862 CA GLU A 123 -5.305 6.359 16.793 1.00 0.73 C ATOM 1863 C GLU A 123 -4.272 5.810 15.825 1.00 0.65 C ATOM 1864 O GLU A 123 -3.076 5.843 16.109 1.00 0.65 O ATOM 1865 CB GLU A 123 -5.937 5.234 17.619 1.00 0.78 C ATOM 1866 CG GLU A 123 -6.534 5.706 18.935 1.00 0.92 C ATOM 1867 CD GLU A 123 -7.151 4.575 19.734 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -8.355 4.301 19.544 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -6.431 3.963 20.551 1.00 1.87 O ATOM 0 H GLU A 123 -7.125 6.542 15.802 1.00 0.75 H new ATOM 0 HA GLU A 123 -4.808 7.035 17.489 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -6.717 4.754 17.027 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -5.181 4.476 17.824 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -5.757 6.185 19.531 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -7.294 6.461 18.735 1.00 0.92 H new ATOM 1876 N MET A 124 -4.748 5.319 14.668 1.00 0.63 N ATOM 1877 CA MET A 124 -3.864 4.806 13.613 1.00 0.64 C ATOM 1878 C MET A 124 -3.119 5.972 12.981 1.00 0.64 C ATOM 1879 O MET A 124 -2.055 5.801 12.377 1.00 0.67 O ATOM 1880 CB MET A 124 -4.643 4.036 12.534 1.00 0.70 C ATOM 1881 CG MET A 124 -5.461 2.865 13.061 1.00 1.18 C ATOM 1882 SD MET A 124 -6.075 1.799 11.743 1.00 2.12 S ATOM 1883 CE MET A 124 -6.967 0.568 12.692 1.00 2.40 C ATOM 0 H MET A 124 -5.741 5.268 14.442 1.00 0.63 H new ATOM 0 HA MET A 124 -3.161 4.107 14.066 1.00 0.64 H new ATOM 0 HB2 MET A 124 -5.311 4.729 12.022 1.00 0.70 H new ATOM 0 HB3 MET A 124 -3.938 3.665 11.790 1.00 0.70 H new ATOM 0 HG2 MET A 124 -4.848 2.276 13.743 1.00 1.18 H new ATOM 0 HG3 MET A 124 -6.304 3.246 13.638 1.00 1.18 H new ATOM 0 HE1 MET A 124 -7.406 -0.165 12.015 1.00 2.40 H new ATOM 0 HE2 MET A 124 -6.280 0.067 13.374 1.00 2.40 H new ATOM 0 HE3 MET A 124 -7.758 1.053 13.265 1.00 2.40 H new ATOM 1893 N ILE A 125 -3.713 7.160 13.140 1.00 0.65 N ATOM 1894 CA ILE A 125 -3.147 8.401 12.658 1.00 0.70 C ATOM 1895 C ILE A 125 -2.117 8.904 13.673 1.00 0.66 C ATOM 1896 O ILE A 125 -1.083 9.465 13.299 1.00 0.68 O ATOM 1897 CB ILE A 125 -4.269 9.458 12.454 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -4.105 10.207 11.132 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -4.331 10.452 13.613 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -4.931 9.628 10.004 1.00 0.70 C ATOM 0 H ILE A 125 -4.609 7.276 13.613 1.00 0.65 H new ATOM 0 HA ILE A 125 -2.659 8.234 11.698 1.00 0.70 H new ATOM 0 HB ILE A 125 -5.210 8.908 12.425 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.384 11.251 11.278 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -3.054 10.195 10.845 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -5.128 11.173 13.431 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -4.531 9.917 14.541 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -3.379 10.976 13.694 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -4.766 10.209 9.097 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -4.636 8.593 9.831 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -5.987 9.665 10.271 1.00 0.70 H new ATOM 1912 N ARG A 126 -2.429 8.686 14.973 1.00 0.65 N ATOM 1913 CA ARG A 126 -1.556 9.122 16.050 1.00 0.68 C ATOM 1914 C ARG A 126 -0.457 8.136 16.352 1.00 0.64 C ATOM 1915 O ARG A 126 0.495 8.433 17.081 1.00 0.69 O ATOM 1916 CB ARG A 126 -2.337 9.505 17.309 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.007 10.868 17.222 1.00 1.02 C ATOM 1918 CD ARG A 126 -3.711 11.227 18.520 1.00 1.07 C ATOM 1919 NE ARG A 126 -4.347 12.548 18.454 1.00 1.63 N ATOM 1920 CZ ARG A 126 -4.777 13.243 19.517 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -4.649 12.761 20.752 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -5.339 14.430 19.339 1.00 2.58 N ATOM 0 H ARG A 126 -3.277 8.212 15.284 1.00 0.65 H new ATOM 0 HA ARG A 126 -1.066 10.026 15.688 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -3.098 8.748 17.499 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -1.659 9.497 18.163 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -2.260 11.627 16.990 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -3.727 10.869 16.404 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -4.465 10.472 18.744 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -2.992 11.212 19.339 1.00 1.07 H new ATOM 0 HE ARG A 126 -4.471 12.968 17.533 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -4.218 11.849 20.901 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -4.982 13.304 21.549 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -5.442 14.809 18.398 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -5.668 14.964 20.143 1.00 2.58 H new ATOM 1936 N GLU A 127 -0.612 6.973 15.774 1.00 0.59 N ATOM 1937 CA GLU A 127 0.363 5.890 15.891 1.00 0.59 C ATOM 1938 C GLU A 127 1.595 6.212 15.035 1.00 0.59 C ATOM 1939 O GLU A 127 2.579 5.463 15.029 1.00 0.63 O ATOM 1940 CB GLU A 127 -0.254 4.564 15.442 1.00 0.61 C ATOM 1941 CG GLU A 127 -0.986 3.817 16.548 1.00 0.66 C ATOM 1942 CD GLU A 127 -1.484 2.458 16.100 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -2.629 2.378 15.608 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -0.729 1.473 16.240 1.00 2.06 O ATOM 0 H GLU A 127 -1.422 6.737 15.201 1.00 0.59 H new ATOM 0 HA GLU A 127 0.663 5.796 16.935 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -0.950 4.757 14.625 1.00 0.61 H new ATOM 0 HB3 GLU A 127 0.534 3.924 15.045 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -0.319 3.693 17.401 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -1.831 4.416 16.889 1.00 0.66 H new ATOM 1951 N ALA A 128 1.519 7.354 14.320 1.00 0.59 N ATOM 1952 CA ALA A 128 2.597 7.791 13.424 1.00 0.64 C ATOM 1953 C ALA A 128 2.837 9.309 13.474 1.00 0.63 C ATOM 1954 O ALA A 128 3.745 9.814 12.803 1.00 0.65 O ATOM 1955 CB ALA A 128 2.278 7.360 11.996 1.00 0.72 C ATOM 0 H ALA A 128 0.720 7.987 14.350 1.00 0.59 H new ATOM 0 HA ALA A 128 3.516 7.316 13.767 1.00 0.64 H new ATOM 0 HB1 ALA A 128 3.078 7.684 11.331 1.00 0.72 H new ATOM 0 HB2 ALA A 128 2.189 6.274 11.955 1.00 0.72 H new ATOM 0 HB3 ALA A 128 1.338 7.813 11.681 1.00 0.72 H new ATOM 1961 N ALA A 129 2.038 10.035 14.277 1.00 0.67 N ATOM 1962 CA ALA A 129 2.166 11.497 14.395 1.00 0.72 C ATOM 1963 C ALA A 129 3.401 11.902 15.208 1.00 0.77 C ATOM 1964 O ALA A 129 3.464 11.671 16.421 1.00 0.86 O ATOM 1965 CB ALA A 129 0.904 12.090 15.012 1.00 0.83 C ATOM 0 H ALA A 129 1.298 9.633 14.853 1.00 0.67 H new ATOM 0 HA ALA A 129 2.294 11.897 13.389 1.00 0.72 H new ATOM 0 HB1 ALA A 129 1.012 13.172 15.093 1.00 0.83 H new ATOM 0 HB2 ALA A 129 0.046 11.858 14.380 1.00 0.83 H new ATOM 0 HB3 ALA A 129 0.750 11.665 16.004 1.00 0.83 H new ATOM 1971 N ILE A 130 4.388 12.494 14.517 1.00 0.77 N ATOM 1972 CA ILE A 130 5.621 12.939 15.138 1.00 0.87 C ATOM 1973 C ILE A 130 5.504 14.403 15.597 1.00 1.01 C ATOM 1974 O ILE A 130 5.052 15.264 14.838 1.00 1.27 O ATOM 1975 CB ILE A 130 6.847 12.707 14.175 1.00 0.91 C ATOM 1976 CG1 ILE A 130 7.245 13.945 13.305 1.00 1.07 C ATOM 1977 CG2 ILE A 130 6.627 11.474 13.290 1.00 1.28 C ATOM 1978 CD1 ILE A 130 6.236 14.384 12.249 1.00 1.57 C ATOM 0 H ILE A 130 4.343 12.672 13.514 1.00 0.77 H new ATOM 0 HA ILE A 130 5.800 12.340 16.031 1.00 0.87 H new ATOM 0 HB ILE A 130 7.695 12.536 14.839 1.00 0.91 H new ATOM 0 HG12 ILE A 130 7.429 14.787 13.973 1.00 1.07 H new ATOM 0 HG13 ILE A 130 8.188 13.723 12.805 1.00 1.07 H new ATOM 0 HG21 ILE A 130 7.488 11.338 12.636 1.00 1.28 H new ATOM 0 HG22 ILE A 130 6.506 10.592 13.919 1.00 1.28 H new ATOM 0 HG23 ILE A 130 5.731 11.615 12.686 1.00 1.28 H new ATOM 0 HD11 ILE A 130 6.624 15.250 11.712 1.00 1.57 H new ATOM 0 HD12 ILE A 130 6.066 13.568 11.547 1.00 1.57 H new ATOM 0 HD13 ILE A 130 5.296 14.649 12.732 1.00 1.57 H new ATOM 1990 N ASP A 131 5.914 14.665 16.858 1.00 1.22 N ATOM 1991 CA ASP A 131 5.871 16.005 17.495 1.00 1.45 C ATOM 1992 C ASP A 131 4.448 16.571 17.656 1.00 1.44 C ATOM 1993 O ASP A 131 4.142 17.216 18.663 1.00 1.64 O ATOM 1994 CB ASP A 131 6.766 16.980 16.728 1.00 1.64 C ATOM 1995 CG ASP A 131 7.309 18.103 17.596 1.00 2.27 C ATOM 1996 OD1 ASP A 131 6.644 19.156 17.689 1.00 2.70 O ATOM 1997 OD2 ASP A 131 8.398 17.927 18.182 1.00 2.90 O ATOM 0 H ASP A 131 6.290 13.943 17.473 1.00 1.22 H new ATOM 0 HA ASP A 131 6.251 15.880 18.509 1.00 1.45 H new ATOM 0 HB2 ASP A 131 7.600 16.431 16.292 1.00 1.64 H new ATOM 0 HB3 ASP A 131 6.200 17.410 15.901 1.00 1.64 H new ATOM 2002 N GLY A 132 3.607 16.319 16.663 1.00 1.31 N ATOM 2003 CA GLY A 132 2.228 16.792 16.677 1.00 1.35 C ATOM 2004 C GLY A 132 1.671 17.066 15.286 1.00 1.46 C ATOM 2005 O GLY A 132 0.450 17.115 15.110 1.00 1.75 O ATOM 0 H GLY A 132 3.857 15.785 15.831 1.00 1.31 H new ATOM 0 HA2 GLY A 132 1.602 16.050 17.172 1.00 1.35 H new ATOM 0 HA3 GLY A 132 2.170 17.705 17.270 1.00 1.35 H new ATOM 2009 N ASP A 133 2.564 17.243 14.299 1.00 1.34 N ATOM 2010 CA ASP A 133 2.159 17.511 12.913 1.00 1.49 C ATOM 2011 C ASP A 133 1.988 16.204 12.130 1.00 1.37 C ATOM 2012 O ASP A 133 0.953 15.991 11.491 1.00 1.69 O ATOM 2013 CB ASP A 133 3.179 18.422 12.216 1.00 1.52 C ATOM 2014 CG ASP A 133 3.178 19.834 12.771 1.00 1.94 C ATOM 2015 OD1 ASP A 133 3.944 20.099 13.722 1.00 2.14 O ATOM 2016 OD2 ASP A 133 2.412 20.675 12.255 1.00 2.60 O ATOM 0 H ASP A 133 3.574 17.205 14.438 1.00 1.34 H new ATOM 0 HA ASP A 133 1.197 18.023 12.937 1.00 1.49 H new ATOM 0 HB2 ASP A 133 4.176 17.994 12.324 1.00 1.52 H new ATOM 0 HB3 ASP A 133 2.961 18.455 11.149 1.00 1.52 H new ATOM 2021 N GLY A 134 3.012 15.340 12.189 1.00 1.04 N ATOM 2022 CA GLY A 134 2.964 14.053 11.505 1.00 1.15 C ATOM 2023 C GLY A 134 3.574 14.061 10.109 1.00 1.03 C ATOM 2024 O GLY A 134 3.779 12.990 9.532 1.00 1.25 O ATOM 0 H GLY A 134 3.876 15.514 12.702 1.00 1.04 H new ATOM 0 HA2 GLY A 134 3.485 13.313 12.112 1.00 1.15 H new ATOM 0 HA3 GLY A 134 1.925 13.732 11.433 1.00 1.15 H new ATOM 2028 N GLN A 135 3.880 15.255 9.560 1.00 0.84 N ATOM 2029 CA GLN A 135 4.470 15.356 8.210 1.00 0.77 C ATOM 2030 C GLN A 135 5.858 14.727 8.160 1.00 0.74 C ATOM 2031 O GLN A 135 6.765 15.134 8.891 1.00 0.80 O ATOM 2032 CB GLN A 135 4.475 16.797 7.678 1.00 0.80 C ATOM 2033 CG GLN A 135 5.054 17.850 8.624 1.00 1.03 C ATOM 2034 CD GLN A 135 4.982 19.252 8.052 1.00 1.40 C ATOM 2035 OE1 GLN A 135 3.998 19.965 8.250 1.00 2.05 O ATOM 2036 NE2 GLN A 135 6.026 19.654 7.337 1.00 1.98 N ATOM 0 H GLN A 135 3.731 16.151 10.024 1.00 0.84 H new ATOM 0 HA GLN A 135 3.827 14.784 7.541 1.00 0.77 H new ATOM 0 HB2 GLN A 135 5.042 16.820 6.748 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.451 17.078 7.434 1.00 0.80 H new ATOM 0 HG2 GLN A 135 4.513 17.820 9.570 1.00 1.03 H new ATOM 0 HG3 GLN A 135 6.093 17.604 8.843 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.820 19.029 7.199 1.00 1.98 H new ATOM 0 HE22 GLN A 135 6.034 20.588 6.926 1.00 1.98 H new ATOM 2045 N VAL A 136 5.997 13.730 7.281 1.00 0.69 N ATOM 2046 CA VAL A 136 7.262 12.983 7.160 1.00 0.68 C ATOM 2047 C VAL A 136 7.642 12.678 5.713 1.00 0.64 C ATOM 2048 O VAL A 136 6.801 12.284 4.902 1.00 0.67 O ATOM 2049 CB VAL A 136 7.245 11.656 7.967 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.887 11.861 9.330 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.829 11.105 8.128 1.00 0.88 C ATOM 0 H VAL A 136 5.260 13.420 6.647 1.00 0.69 H new ATOM 0 HA VAL A 136 8.016 13.648 7.581 1.00 0.68 H new ATOM 0 HB VAL A 136 7.821 10.922 7.404 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.869 10.923 9.886 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.919 12.186 9.201 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.334 12.621 9.882 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.862 10.177 8.698 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.213 11.833 8.656 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.400 10.912 7.145 1.00 0.88 H new ATOM 2061 N ASN A 137 8.935 12.874 5.419 1.00 0.63 N ATOM 2062 CA ASN A 137 9.509 12.646 4.096 1.00 0.62 C ATOM 2063 C ASN A 137 9.948 11.194 3.850 1.00 0.59 C ATOM 2064 O ASN A 137 9.653 10.282 4.626 1.00 0.59 O ATOM 2065 CB ASN A 137 10.708 13.597 3.896 1.00 0.66 C ATOM 2066 CG ASN A 137 11.658 13.658 5.087 1.00 0.80 C ATOM 2067 OD1 ASN A 137 11.490 14.480 5.988 1.00 1.18 O ATOM 2068 ND2 ASN A 137 12.658 12.785 5.092 1.00 1.45 N ATOM 0 H ASN A 137 9.616 13.199 6.105 1.00 0.63 H new ATOM 0 HA ASN A 137 8.721 12.849 3.371 1.00 0.62 H new ATOM 0 HB2 ASN A 137 11.266 13.280 3.015 1.00 0.66 H new ATOM 0 HB3 ASN A 137 10.333 14.600 3.692 1.00 0.66 H new ATOM 0 HD21 ASN A 137 13.325 12.778 5.864 1.00 1.45 H new ATOM 0 HD22 ASN A 137 12.759 12.121 4.324 1.00 1.45 H new ATOM 2075 N TYR A 138 10.661 11.040 2.725 1.00 0.62 N ATOM 2076 CA TYR A 138 11.244 9.793 2.213 1.00 0.66 C ATOM 2077 C TYR A 138 11.932 8.907 3.277 1.00 0.61 C ATOM 2078 O TYR A 138 12.134 7.716 3.040 1.00 0.67 O ATOM 2079 CB TYR A 138 12.238 10.221 1.126 1.00 0.75 C ATOM 2080 CG TYR A 138 12.984 9.098 0.427 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.440 8.438 -0.664 1.00 1.93 C ATOM 2082 CD2 TYR A 138 14.244 8.711 0.869 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.132 7.422 -1.296 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.940 7.697 0.243 1.00 2.76 C ATOM 2085 CZ TYR A 138 14.380 7.056 -0.839 1.00 2.81 C ATOM 2086 OH TYR A 138 15.073 6.047 -1.466 1.00 3.66 O ATOM 0 H TYR A 138 10.857 11.831 2.112 1.00 0.62 H new ATOM 0 HA TYR A 138 10.444 9.155 1.836 1.00 0.66 H new ATOM 0 HB2 TYR A 138 11.698 10.795 0.373 1.00 0.75 H new ATOM 0 HB3 TYR A 138 12.970 10.893 1.575 1.00 0.75 H new ATOM 0 HD1 TYR A 138 11.462 8.721 -1.025 1.00 1.93 H new ATOM 0 HD2 TYR A 138 14.686 9.213 1.717 1.00 2.03 H new ATOM 0 HE1 TYR A 138 12.696 6.916 -2.145 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.918 7.408 0.600 1.00 2.76 H new ATOM 0 HH TYR A 138 15.935 5.916 -1.019 1.00 3.66 H new ATOM 2096 N GLU A 139 12.300 9.485 4.424 1.00 0.57 N ATOM 2097 CA GLU A 139 12.989 8.743 5.490 1.00 0.60 C ATOM 2098 C GLU A 139 12.103 7.687 6.182 1.00 0.54 C ATOM 2099 O GLU A 139 12.494 6.519 6.267 1.00 0.57 O ATOM 2100 CB GLU A 139 13.551 9.717 6.534 1.00 0.68 C ATOM 2101 CG GLU A 139 14.771 10.494 6.059 1.00 0.89 C ATOM 2102 CD GLU A 139 15.303 11.446 7.113 1.00 1.36 C ATOM 2103 OE1 GLU A 139 14.854 12.611 7.141 1.00 2.24 O ATOM 2104 OE2 GLU A 139 16.168 11.026 7.910 1.00 1.61 O ATOM 0 H GLU A 139 12.133 10.468 4.641 1.00 0.57 H new ATOM 0 HA GLU A 139 13.800 8.198 5.006 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.770 10.423 6.815 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.815 9.159 7.432 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.557 9.793 5.778 1.00 0.89 H new ATOM 0 HG3 GLU A 139 14.512 11.058 5.163 1.00 0.89 H new ATOM 2111 N GLU A 140 10.922 8.097 6.670 1.00 0.51 N ATOM 2112 CA GLU A 140 10.023 7.186 7.398 1.00 0.52 C ATOM 2113 C GLU A 140 9.008 6.444 6.524 1.00 0.47 C ATOM 2114 O GLU A 140 8.903 5.218 6.630 1.00 0.49 O ATOM 2115 CB GLU A 140 9.293 7.941 8.520 1.00 0.59 C ATOM 2116 CG GLU A 140 10.179 8.309 9.708 1.00 1.02 C ATOM 2117 CD GLU A 140 10.418 7.145 10.655 1.00 1.31 C ATOM 2118 OE1 GLU A 140 9.617 6.973 11.598 1.00 1.91 O ATOM 2119 OE2 GLU A 140 11.404 6.406 10.451 1.00 2.02 O ATOM 0 H GLU A 140 10.568 9.049 6.575 1.00 0.51 H new ATOM 0 HA GLU A 140 10.673 6.415 7.811 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.861 8.853 8.107 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.465 7.328 8.875 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.138 8.673 9.340 1.00 1.02 H new ATOM 0 HG3 GLU A 140 9.717 9.129 10.258 1.00 1.02 H new ATOM 2126 N PHE A 141 8.259 7.160 5.666 1.00 0.45 N ATOM 2127 CA PHE A 141 7.224 6.515 4.830 1.00 0.43 C ATOM 2128 C PHE A 141 7.790 5.540 3.787 1.00 0.41 C ATOM 2129 O PHE A 141 7.030 4.809 3.143 1.00 0.44 O ATOM 2130 CB PHE A 141 6.296 7.549 4.192 1.00 0.45 C ATOM 2131 CG PHE A 141 5.013 7.716 4.963 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.865 8.758 5.862 1.00 1.33 C ATOM 2133 CD2 PHE A 141 3.962 6.821 4.804 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.697 8.907 6.587 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.792 6.969 5.526 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.661 8.013 6.419 1.00 1.54 C ATOM 0 H PHE A 141 8.346 8.167 5.532 1.00 0.45 H new ATOM 0 HA PHE A 141 6.632 5.903 5.511 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.810 8.508 4.133 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.067 7.247 3.170 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.671 9.463 5.999 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.060 6.000 4.109 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.596 9.724 7.286 1.00 1.59 H new ATOM 0 HE2 PHE A 141 1.981 6.268 5.391 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.749 8.129 6.985 1.00 1.54 H new ATOM 2146 N VAL A 142 9.121 5.530 3.629 1.00 0.42 N ATOM 2147 CA VAL A 142 9.796 4.586 2.732 1.00 0.44 C ATOM 2148 C VAL A 142 9.980 3.278 3.466 1.00 0.46 C ATOM 2149 O VAL A 142 9.913 2.209 2.862 1.00 0.48 O ATOM 2150 CB VAL A 142 11.173 5.105 2.276 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.253 4.021 2.296 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.095 5.759 0.901 1.00 0.50 C ATOM 0 H VAL A 142 9.752 6.168 4.114 1.00 0.42 H new ATOM 0 HA VAL A 142 9.179 4.458 1.842 1.00 0.44 H new ATOM 0 HB VAL A 142 11.467 5.862 3.004 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.201 4.446 1.965 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.362 3.635 3.310 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.966 3.209 1.628 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.084 6.114 0.610 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.742 5.031 0.171 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.404 6.601 0.937 1.00 0.50 H new ATOM 2162 N GLN A 143 10.237 3.390 4.785 1.00 0.49 N ATOM 2163 CA GLN A 143 10.417 2.232 5.650 1.00 0.54 C ATOM 2164 C GLN A 143 9.229 1.283 5.512 1.00 0.52 C ATOM 2165 O GLN A 143 9.366 0.071 5.695 1.00 0.57 O ATOM 2166 CB GLN A 143 10.581 2.692 7.094 1.00 0.59 C ATOM 2167 CG GLN A 143 11.394 1.745 7.968 1.00 0.64 C ATOM 2168 CD GLN A 143 11.536 2.243 9.393 1.00 0.89 C ATOM 2169 OE1 GLN A 143 12.479 2.964 9.720 1.00 1.62 O ATOM 2170 NE2 GLN A 143 10.596 1.861 10.250 1.00 1.55 N ATOM 0 H GLN A 143 10.323 4.285 5.267 1.00 0.49 H new ATOM 0 HA GLN A 143 11.317 1.694 5.352 1.00 0.54 H new ATOM 0 HB2 GLN A 143 11.059 3.672 7.098 1.00 0.59 H new ATOM 0 HB3 GLN A 143 9.593 2.818 7.537 1.00 0.59 H new ATOM 0 HG2 GLN A 143 10.918 0.765 7.976 1.00 0.64 H new ATOM 0 HG3 GLN A 143 12.385 1.615 7.532 1.00 0.64 H new ATOM 0 HE21 GLN A 143 9.832 1.263 9.936 1.00 1.55 H new ATOM 0 HE22 GLN A 143 10.638 2.166 11.222 1.00 1.55 H new ATOM 2179 N MET A 144 8.058 1.870 5.196 1.00 0.49 N ATOM 2180 CA MET A 144 6.845 1.110 4.925 1.00 0.49 C ATOM 2181 C MET A 144 7.135 0.110 3.807 1.00 0.51 C ATOM 2182 O MET A 144 6.713 -1.047 3.865 1.00 0.58 O ATOM 2183 CB MET A 144 5.703 2.035 4.462 1.00 0.52 C ATOM 2184 CG MET A 144 5.000 2.811 5.564 1.00 0.93 C ATOM 2185 SD MET A 144 6.110 3.908 6.468 1.00 2.33 S ATOM 2186 CE MET A 144 4.979 4.627 7.656 1.00 3.20 C ATOM 0 H MET A 144 7.938 2.880 5.124 1.00 0.49 H new ATOM 0 HA MET A 144 6.540 0.604 5.841 1.00 0.49 H new ATOM 0 HB2 MET A 144 6.105 2.746 3.741 1.00 0.52 H new ATOM 0 HB3 MET A 144 4.962 1.433 3.936 1.00 0.52 H new ATOM 0 HG2 MET A 144 4.192 3.399 5.129 1.00 0.93 H new ATOM 0 HG3 MET A 144 4.544 2.109 6.262 1.00 0.93 H new ATOM 0 HE1 MET A 144 5.436 5.508 8.107 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.056 4.915 7.152 1.00 3.20 H new ATOM 0 HE3 MET A 144 4.755 3.896 8.433 1.00 3.20 H new ATOM 2196 N MET A 145 7.895 0.586 2.799 1.00 0.49 N ATOM 2197 CA MET A 145 8.248 -0.230 1.643 1.00 0.56 C ATOM 2198 C MET A 145 9.590 -0.968 1.819 1.00 0.62 C ATOM 2199 O MET A 145 9.712 -2.119 1.389 1.00 0.75 O ATOM 2200 CB MET A 145 8.272 0.651 0.390 1.00 0.58 C ATOM 2201 CG MET A 145 7.967 -0.080 -0.920 1.00 1.52 C ATOM 2202 SD MET A 145 9.116 -1.421 -1.290 1.00 2.50 S ATOM 2203 CE MET A 145 8.456 -2.012 -2.847 1.00 3.22 C ATOM 0 H MET A 145 8.271 1.534 2.772 1.00 0.49 H new ATOM 0 HA MET A 145 7.488 -1.004 1.538 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.548 1.456 0.516 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.255 1.115 0.309 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.955 -0.483 -0.873 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.986 0.639 -1.739 1.00 1.52 H new ATOM 0 HE1 MET A 145 9.061 -2.845 -3.206 1.00 3.22 H new ATOM 0 HE2 MET A 145 7.428 -2.346 -2.703 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.476 -1.206 -3.580 1.00 3.22 H new ATOM 2213 N THR A 146 10.587 -0.326 2.466 1.00 0.59 N ATOM 2214 CA THR A 146 11.913 -0.923 2.626 1.00 0.68 C ATOM 2215 C THR A 146 11.943 -2.077 3.637 1.00 0.78 C ATOM 2216 O THR A 146 12.784 -2.974 3.532 1.00 0.89 O ATOM 2217 CB THR A 146 12.956 0.122 3.061 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.317 1.285 3.591 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.864 0.517 1.901 1.00 0.71 C ATOM 0 H THR A 146 10.491 0.601 2.881 1.00 0.59 H new ATOM 0 HA THR A 146 12.161 -1.319 1.641 1.00 0.68 H new ATOM 0 HB THR A 146 13.569 -0.334 3.839 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.939 1.760 4.181 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.589 1.256 2.242 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.390 -0.364 1.534 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.263 0.942 1.097 1.00 0.71 H new ATOM 2227 N ALA A 147 11.025 -2.040 4.607 1.00 0.77 N ATOM 2228 CA ALA A 147 10.927 -3.070 5.632 1.00 0.88 C ATOM 2229 C ALA A 147 9.970 -4.186 5.218 1.00 0.94 C ATOM 2230 O ALA A 147 9.006 -3.946 4.484 1.00 0.91 O ATOM 2231 CB ALA A 147 10.490 -2.463 6.957 1.00 0.90 C ATOM 0 H ALA A 147 10.333 -1.296 4.699 1.00 0.77 H new ATOM 0 HA ALA A 147 11.917 -3.509 5.754 1.00 0.88 H new ATOM 0 HB1 ALA A 147 10.422 -3.247 7.711 1.00 0.90 H new ATOM 0 HB2 ALA A 147 11.219 -1.717 7.273 1.00 0.90 H new ATOM 0 HB3 ALA A 147 9.516 -1.990 6.837 1.00 0.90 H new ATOM 2237 N LYS A 148 10.250 -5.403 5.697 1.00 1.08 N ATOM 2238 CA LYS A 148 9.427 -6.574 5.389 1.00 1.19 C ATOM 2239 C LYS A 148 8.460 -6.876 6.534 1.00 1.63 C ATOM 2240 O LYS A 148 7.234 -6.843 6.293 1.00 2.21 O ATOM 2241 CB LYS A 148 10.313 -7.800 5.104 1.00 1.53 C ATOM 2242 CG LYS A 148 11.072 -7.735 3.780 1.00 2.17 C ATOM 2243 CD LYS A 148 12.397 -6.995 3.919 1.00 2.29 C ATOM 2244 CE LYS A 148 13.143 -6.936 2.596 1.00 3.11 C ATOM 2245 NZ LYS A 148 14.441 -6.218 2.720 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.933 -7.131 7.663 1.00 2.14 O ATOM 0 H LYS A 148 11.046 -5.602 6.303 1.00 1.08 H new ATOM 0 HA LYS A 148 8.844 -6.350 4.496 1.00 1.19 H new ATOM 0 HB2 LYS A 148 11.032 -7.910 5.916 1.00 1.53 H new ATOM 0 HB3 LYS A 148 9.688 -8.693 5.107 1.00 1.53 H new ATOM 0 HG2 LYS A 148 11.257 -8.746 3.418 1.00 2.17 H new ATOM 0 HG3 LYS A 148 10.455 -7.237 3.032 1.00 2.17 H new ATOM 0 HD2 LYS A 148 12.214 -5.983 4.280 1.00 2.29 H new ATOM 0 HD3 LYS A 148 13.016 -7.492 4.665 1.00 2.29 H new ATOM 0 HE2 LYS A 148 13.322 -7.949 2.235 1.00 3.11 H new ATOM 0 HE3 LYS A 148 12.522 -6.437 1.852 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 14.918 -6.200 1.796 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 14.269 -5.243 3.040 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 15.044 -6.708 3.411 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 20.621 3.762 30.834 1.00 0.00 N ATOM 2262 CA ALA B 503 19.542 3.725 29.814 1.00 0.00 C ATOM 2263 C ALA B 503 18.213 3.312 30.437 1.00 0.00 C ATOM 2264 O ALA B 503 18.177 2.456 31.327 1.00 0.00 O ATOM 2265 CB ALA B 503 19.914 2.772 28.688 1.00 0.00 C ATOM 0 HA ALA B 503 19.428 4.729 29.405 1.00 0.00 H new ATOM 0 HB1 ALA B 503 19.115 2.754 27.947 1.00 0.00 H new ATOM 0 HB2 ALA B 503 20.838 3.108 28.217 1.00 0.00 H new ATOM 0 HB3 ALA B 503 20.057 1.770 29.092 1.00 0.00 H new ATOM 2273 N GLY B 504 17.128 3.929 29.960 1.00 0.00 N ATOM 2274 CA GLY B 504 15.797 3.628 30.468 1.00 0.00 C ATOM 2275 C GLY B 504 14.703 4.001 29.487 1.00 0.00 C ATOM 2276 O GLY B 504 14.130 5.089 29.577 1.00 0.00 O ATOM 0 H GLY B 504 17.150 4.637 29.226 1.00 0.00 H new ATOM 0 HA2 GLY B 504 15.730 2.564 30.694 1.00 0.00 H new ATOM 0 HA3 GLY B 504 15.639 4.164 31.404 1.00 0.00 H new ATOM 2280 N HIS B 505 14.412 3.078 28.545 1.00 0.00 N ATOM 2281 CA HIS B 505 13.375 3.262 27.498 1.00 0.00 C ATOM 2282 C HIS B 505 13.705 4.427 26.561 1.00 0.00 C ATOM 2283 O HIS B 505 13.958 5.547 27.014 1.00 0.00 O ATOM 2284 CB HIS B 505 11.975 3.461 28.109 1.00 0.00 C ATOM 2285 CG HIS B 505 11.445 2.248 28.810 1.00 0.00 C ATOM 2286 ND1 HIS B 505 10.542 1.379 28.234 1.00 0.00 N ATOM 2287 CD2 HIS B 505 11.695 1.759 30.048 1.00 0.00 C ATOM 2288 CE1 HIS B 505 10.259 0.410 29.087 1.00 0.00 C ATOM 2289 NE2 HIS B 505 10.946 0.618 30.194 1.00 0.00 N ATOM 0 H HIS B 505 14.890 2.179 28.486 1.00 0.00 H new ATOM 0 HA HIS B 505 13.369 2.344 26.911 1.00 0.00 H new ATOM 0 HB2 HIS B 505 12.011 4.291 28.815 1.00 0.00 H new ATOM 0 HB3 HIS B 505 11.280 3.745 27.318 1.00 0.00 H new ATOM 0 HD2 HIS B 505 12.360 2.187 30.783 1.00 0.00 H new ATOM 0 HE1 HIS B 505 9.581 -0.412 28.908 1.00 0.00 H new ATOM 0 HE2 HIS B 505 10.924 0.026 31.025 1.00 0.00 H new ATOM 2298 N MET B 506 13.696 4.145 25.254 1.00 0.00 N ATOM 2299 CA MET B 506 13.993 5.153 24.234 1.00 0.00 C ATOM 2300 C MET B 506 12.710 5.691 23.608 1.00 0.00 C ATOM 2301 O MET B 506 11.807 4.923 23.267 1.00 0.00 O ATOM 2302 CB MET B 506 14.896 4.566 23.143 1.00 0.00 C ATOM 2303 CG MET B 506 16.340 4.351 23.584 1.00 0.00 C ATOM 2304 SD MET B 506 17.182 5.887 24.025 1.00 0.00 S ATOM 2305 CE MET B 506 17.604 6.538 22.409 1.00 0.00 C ATOM 0 H MET B 506 13.485 3.221 24.877 1.00 0.00 H new ATOM 0 HA MET B 506 14.514 5.977 24.722 1.00 0.00 H new ATOM 0 HB2 MET B 506 14.481 3.613 22.816 1.00 0.00 H new ATOM 0 HB3 MET B 506 14.886 5.231 22.280 1.00 0.00 H new ATOM 0 HG2 MET B 506 16.356 3.676 24.440 1.00 0.00 H new ATOM 0 HG3 MET B 506 16.890 3.860 22.781 1.00 0.00 H new ATOM 0 HE1 MET B 506 18.129 7.486 22.525 1.00 0.00 H new ATOM 0 HE2 MET B 506 18.246 5.828 21.887 1.00 0.00 H new ATOM 0 HE3 MET B 506 16.693 6.696 21.831 1.00 0.00 H new ATOM 2315 N ARG B 507 12.644 7.032 23.462 1.00 0.00 N ATOM 2316 CA ARG B 507 11.484 7.749 22.872 1.00 0.00 C ATOM 2317 C ARG B 507 10.201 7.585 23.720 1.00 0.00 C ATOM 2318 O ARG B 507 10.080 6.603 24.458 1.00 0.00 O ATOM 2319 CB ARG B 507 11.216 7.300 21.422 1.00 0.00 C ATOM 2320 CG ARG B 507 12.268 7.773 20.427 1.00 0.00 C ATOM 2321 CD ARG B 507 11.955 7.312 19.009 1.00 0.00 C ATOM 2322 NE ARG B 507 10.842 8.062 18.412 1.00 0.00 N ATOM 2323 CZ ARG B 507 10.384 7.885 17.164 1.00 0.00 C ATOM 2324 NH1 ARG B 507 10.929 6.981 16.351 1.00 0.00 N ATOM 2325 NH2 ARG B 507 9.370 8.620 16.728 1.00 0.00 N ATOM 0 H ARG B 507 13.398 7.655 23.751 1.00 0.00 H new ATOM 0 HA ARG B 507 11.751 8.806 22.866 1.00 0.00 H new ATOM 0 HB2 ARG B 507 11.165 6.212 21.392 1.00 0.00 H new ATOM 0 HB3 ARG B 507 10.241 7.674 21.110 1.00 0.00 H new ATOM 0 HG2 ARG B 507 12.327 8.861 20.451 1.00 0.00 H new ATOM 0 HG3 ARG B 507 13.246 7.394 20.725 1.00 0.00 H new ATOM 0 HD2 ARG B 507 12.843 7.428 18.387 1.00 0.00 H new ATOM 0 HD3 ARG B 507 11.710 6.250 19.020 1.00 0.00 H new ATOM 0 HE ARG B 507 10.384 8.768 18.988 1.00 0.00 H new ATOM 0 HH11 ARG B 507 11.709 6.409 16.674 1.00 0.00 H new ATOM 0 HH12 ARG B 507 10.566 6.861 15.405 1.00 0.00 H new ATOM 0 HH21 ARG B 507 8.943 9.315 17.341 1.00 0.00 H new ATOM 0 HH22 ARG B 507 9.017 8.490 15.780 1.00 0.00 H new ATOM 2339 N PRO B 508 9.213 8.540 23.634 1.00 0.00 N ATOM 2340 CA PRO B 508 7.956 8.456 24.408 1.00 0.00 C ATOM 2341 C PRO B 508 6.957 7.442 23.836 1.00 0.00 C ATOM 2342 O PRO B 508 6.091 6.943 24.561 1.00 0.00 O ATOM 2343 CB PRO B 508 7.366 9.876 24.317 1.00 0.00 C ATOM 2344 CG PRO B 508 8.394 10.714 23.626 1.00 0.00 C ATOM 2345 CD PRO B 508 9.225 9.769 22.811 1.00 0.00 C ATOM 0 HA PRO B 508 8.152 8.118 25.425 1.00 0.00 H new ATOM 0 HB2 PRO B 508 6.429 9.873 23.760 1.00 0.00 H new ATOM 0 HB3 PRO B 508 7.146 10.270 25.309 1.00 0.00 H new ATOM 0 HG2 PRO B 508 7.922 11.464 22.991 1.00 0.00 H new ATOM 0 HG3 PRO B 508 9.010 11.250 24.349 1.00 0.00 H new ATOM 0 HD2 PRO B 508 8.796 9.600 21.823 1.00 0.00 H new ATOM 0 HD3 PRO B 508 10.236 10.146 22.659 1.00 0.00 H new ATOM 2353 N LYS B 509 7.090 7.145 22.535 1.00 0.00 N ATOM 2354 CA LYS B 509 6.204 6.196 21.851 1.00 0.00 C ATOM 2355 C LYS B 509 6.778 4.781 21.882 1.00 0.00 C ATOM 2356 O LYS B 509 7.999 4.598 21.889 1.00 0.00 O ATOM 2357 CB LYS B 509 5.973 6.628 20.399 1.00 0.00 C ATOM 2358 CG LYS B 509 5.076 7.849 20.253 1.00 0.00 C ATOM 2359 CD LYS B 509 4.896 8.237 18.792 1.00 0.00 C ATOM 2360 CE LYS B 509 4.020 9.473 18.639 1.00 0.00 C ATOM 2361 NZ LYS B 509 4.728 10.720 19.050 1.00 0.00 N ATOM 0 H LYS B 509 7.807 7.552 21.934 1.00 0.00 H new ATOM 0 HA LYS B 509 5.251 6.194 22.381 1.00 0.00 H new ATOM 0 HB2 LYS B 509 6.937 6.840 19.936 1.00 0.00 H new ATOM 0 HB3 LYS B 509 5.531 5.797 19.849 1.00 0.00 H new ATOM 0 HG2 LYS B 509 4.103 7.642 20.698 1.00 0.00 H new ATOM 0 HG3 LYS B 509 5.507 8.686 20.803 1.00 0.00 H new ATOM 0 HD2 LYS B 509 5.871 8.425 18.343 1.00 0.00 H new ATOM 0 HD3 LYS B 509 4.449 7.405 18.247 1.00 0.00 H new ATOM 0 HE2 LYS B 509 3.701 9.564 17.601 1.00 0.00 H new ATOM 0 HE3 LYS B 509 3.119 9.354 19.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 4.371 11.033 19.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 5.749 10.533 19.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 4.558 11.464 18.344 1.00 0.00 H new ATOM 2375 N ARG B 510 5.881 3.791 21.901 1.00 0.00 N ATOM 2376 CA ARG B 510 6.273 2.378 21.932 1.00 0.00 C ATOM 2377 C ARG B 510 5.878 1.665 20.637 1.00 0.00 C ATOM 2378 O ARG B 510 6.646 0.854 20.114 1.00 0.00 O ATOM 2379 CB ARG B 510 5.635 1.669 23.134 1.00 0.00 C ATOM 2380 CG ARG B 510 6.257 2.044 24.472 1.00 0.00 C ATOM 2381 CD ARG B 510 5.587 1.310 25.622 1.00 0.00 C ATOM 2382 NE ARG B 510 6.175 1.665 26.919 1.00 0.00 N ATOM 2383 CZ ARG B 510 5.784 1.161 28.098 1.00 0.00 C ATOM 2384 NH1 ARG B 510 4.797 0.269 28.174 1.00 0.00 N ATOM 2385 NH2 ARG B 510 6.388 1.555 29.211 1.00 0.00 N ATOM 0 H ARG B 510 4.872 3.943 21.895 1.00 0.00 H new ATOM 0 HA ARG B 510 7.358 2.337 22.029 1.00 0.00 H new ATOM 0 HB2 ARG B 510 4.571 1.905 23.160 1.00 0.00 H new ATOM 0 HB3 ARG B 510 5.719 0.591 22.994 1.00 0.00 H new ATOM 0 HG2 ARG B 510 7.321 1.808 24.459 1.00 0.00 H new ATOM 0 HG3 ARG B 510 6.171 3.120 24.626 1.00 0.00 H new ATOM 0 HD2 ARG B 510 4.523 1.544 25.630 1.00 0.00 H new ATOM 0 HD3 ARG B 510 5.675 0.235 25.466 1.00 0.00 H new ATOM 0 HE ARG B 510 6.936 2.344 26.924 1.00 0.00 H new ATOM 0 HH11 ARG B 510 4.324 -0.042 27.325 1.00 0.00 H new ATOM 0 HH12 ARG B 510 4.514 -0.103 29.081 1.00 0.00 H new ATOM 0 HH21 ARG B 510 7.145 2.237 29.166 1.00 0.00 H new ATOM 0 HH22 ARG B 510 6.096 1.176 30.112 1.00 0.00 H new ATOM 2399 N ARG B 511 4.667 1.983 20.123 1.00 0.00 N ATOM 2400 CA ARG B 511 4.113 1.394 18.879 1.00 0.00 C ATOM 2401 C ARG B 511 3.892 -0.119 19.016 1.00 0.00 C ATOM 2402 O ARG B 511 4.813 -0.859 19.374 1.00 0.00 O ATOM 2403 CB ARG B 511 5.014 1.693 17.662 1.00 0.00 C ATOM 2404 CG ARG B 511 4.257 1.815 16.345 1.00 0.00 C ATOM 2405 CD ARG B 511 5.202 2.066 15.181 1.00 0.00 C ATOM 2406 NE ARG B 511 4.486 2.167 13.904 1.00 0.00 N ATOM 2407 CZ ARG B 511 5.076 2.249 12.702 1.00 0.00 C ATOM 2408 NH1 ARG B 511 6.402 2.245 12.583 1.00 0.00 N ATOM 2409 NH2 ARG B 511 4.327 2.337 11.611 1.00 0.00 N ATOM 0 H ARG B 511 4.042 2.659 20.562 1.00 0.00 H new ATOM 0 HA ARG B 511 3.144 1.865 18.713 1.00 0.00 H new ATOM 0 HB2 ARG B 511 5.557 2.620 17.844 1.00 0.00 H new ATOM 0 HB3 ARG B 511 5.757 0.901 17.570 1.00 0.00 H new ATOM 0 HG2 ARG B 511 3.690 0.902 16.164 1.00 0.00 H new ATOM 0 HG3 ARG B 511 3.536 2.630 16.412 1.00 0.00 H new ATOM 0 HD2 ARG B 511 5.759 2.986 15.358 1.00 0.00 H new ATOM 0 HD3 ARG B 511 5.931 1.258 15.125 1.00 0.00 H new ATOM 0 HE ARG B 511 3.466 2.175 13.932 1.00 0.00 H new ATOM 0 HH11 ARG B 511 6.989 2.179 13.415 1.00 0.00 H new ATOM 0 HH12 ARG B 511 6.831 2.308 11.660 1.00 0.00 H new ATOM 0 HH21 ARG B 511 3.310 2.342 11.690 1.00 0.00 H new ATOM 0 HH22 ARG B 511 4.768 2.400 10.693 1.00 0.00 H new ATOM 2423 N GLU B 512 2.662 -0.557 18.727 1.00 0.00 N ATOM 2424 CA GLU B 512 2.296 -1.975 18.811 1.00 0.00 C ATOM 2425 C GLU B 512 1.886 -2.531 17.441 1.00 0.00 C ATOM 2426 O GLU B 512 2.304 -3.630 17.064 1.00 0.00 O ATOM 2427 CB GLU B 512 1.177 -2.201 19.856 1.00 0.00 C ATOM 2428 CG GLU B 512 -0.054 -1.306 19.702 1.00 0.00 C ATOM 2429 CD GLU B 512 -1.091 -1.551 20.781 1.00 0.00 C ATOM 2430 OE1 GLU B 512 -1.974 -2.409 20.572 1.00 0.00 O ATOM 2431 OE2 GLU B 512 -1.020 -0.885 21.835 1.00 0.00 O ATOM 0 H GLU B 512 1.900 0.053 18.432 1.00 0.00 H new ATOM 0 HA GLU B 512 3.180 -2.522 19.139 1.00 0.00 H new ATOM 0 HB2 GLU B 512 0.858 -3.242 19.802 1.00 0.00 H new ATOM 0 HB3 GLU B 512 1.595 -2.047 20.851 1.00 0.00 H new ATOM 0 HG2 GLU B 512 0.255 -0.261 19.731 1.00 0.00 H new ATOM 0 HG3 GLU B 512 -0.504 -1.479 18.724 1.00 0.00 H new ATOM 2438 N ILE B 513 1.068 -1.764 16.709 1.00 0.00 N ATOM 2439 CA ILE B 513 0.596 -2.171 15.381 1.00 0.00 C ATOM 2440 C ILE B 513 0.897 -1.089 14.319 1.00 0.00 C ATOM 2441 O ILE B 513 0.206 -0.065 14.272 1.00 0.00 O ATOM 2442 CB ILE B 513 -0.926 -2.528 15.369 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -1.783 -1.475 16.098 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -1.149 -3.902 15.984 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -2.667 -0.669 15.171 1.00 0.00 C ATOM 0 H ILE B 513 0.719 -0.856 17.016 1.00 0.00 H new ATOM 0 HA ILE B 513 1.148 -3.076 15.127 1.00 0.00 H new ATOM 0 HB ILE B 513 -1.245 -2.538 14.327 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -2.407 -1.975 16.838 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -1.126 -0.796 16.642 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -2.213 -4.139 15.970 1.00 0.00 H new ATOM 0 HG22 ILE B 513 -0.603 -4.651 15.410 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -0.791 -3.902 17.014 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -3.242 0.052 15.752 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -2.048 -0.140 14.446 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -3.349 -1.338 14.646 1.00 0.00 H new ATOM 2457 N PRO B 514 1.949 -1.282 13.455 1.00 0.00 N ATOM 2458 CA PRO B 514 2.306 -0.307 12.397 1.00 0.00 C ATOM 2459 C PRO B 514 1.234 -0.187 11.310 1.00 0.00 C ATOM 2460 O PRO B 514 0.412 -1.093 11.140 1.00 0.00 O ATOM 2461 CB PRO B 514 3.600 -0.873 11.791 1.00 0.00 C ATOM 2462 CG PRO B 514 4.103 -1.871 12.774 1.00 0.00 C ATOM 2463 CD PRO B 514 2.887 -2.431 13.450 1.00 0.00 C ATOM 0 HA PRO B 514 2.411 0.696 12.810 1.00 0.00 H new ATOM 0 HB2 PRO B 514 3.409 -1.338 10.824 1.00 0.00 H new ATOM 0 HB3 PRO B 514 4.333 -0.083 11.625 1.00 0.00 H new ATOM 0 HG2 PRO B 514 4.670 -2.658 12.277 1.00 0.00 H new ATOM 0 HG3 PRO B 514 4.772 -1.404 13.497 1.00 0.00 H new ATOM 0 HD2 PRO B 514 2.479 -3.283 12.906 1.00 0.00 H new ATOM 0 HD3 PRO B 514 3.109 -2.775 14.460 1.00 0.00 H new ATOM 2471 N LEU B 515 1.255 0.936 10.585 1.00 0.00 N ATOM 2472 CA LEU B 515 0.289 1.191 9.512 1.00 0.00 C ATOM 2473 C LEU B 515 0.908 0.952 8.123 1.00 0.00 C ATOM 2474 O LEU B 515 0.532 1.605 7.143 1.00 0.00 O ATOM 2475 CB LEU B 515 -0.291 2.618 9.639 1.00 0.00 C ATOM 2476 CG LEU B 515 0.711 3.786 9.600 1.00 0.00 C ATOM 2477 CD1 LEU B 515 0.965 4.254 8.169 1.00 0.00 C ATOM 2478 CD2 LEU B 515 0.225 4.906 10.503 1.00 0.00 C ATOM 0 H LEU B 515 1.933 1.685 10.723 1.00 0.00 H new ATOM 0 HA LEU B 515 -0.531 0.481 9.618 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -1.012 2.763 8.835 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -0.843 2.677 10.577 1.00 0.00 H new ATOM 0 HG LEU B 515 1.674 3.445 9.980 1.00 0.00 H new ATOM 0 HD11 LEU B 515 1.677 5.079 8.177 1.00 0.00 H new ATOM 0 HD12 LEU B 515 1.372 3.430 7.583 1.00 0.00 H new ATOM 0 HD13 LEU B 515 0.028 4.588 7.723 1.00 0.00 H new ATOM 0 HD21 LEU B 515 0.936 5.732 10.474 1.00 0.00 H new ATOM 0 HD22 LEU B 515 -0.749 5.254 10.159 1.00 0.00 H new ATOM 0 HD23 LEU B 515 0.139 4.538 11.525 1.00 0.00 H new ATOM 2490 N LYS B 516 1.830 -0.019 8.039 1.00 0.00 N ATOM 2491 CA LYS B 516 2.521 -0.349 6.778 1.00 0.00 C ATOM 2492 C LYS B 516 1.571 -1.039 5.777 1.00 0.00 C ATOM 2493 O LYS B 516 1.802 -2.180 5.355 1.00 0.00 O ATOM 2494 CB LYS B 516 3.750 -1.237 7.059 1.00 0.00 C ATOM 2495 CG LYS B 516 4.793 -0.601 7.971 1.00 0.00 C ATOM 2496 CD LYS B 516 6.013 -1.496 8.133 1.00 0.00 C ATOM 2497 CE LYS B 516 7.060 -0.865 9.042 1.00 0.00 C ATOM 2498 NZ LYS B 516 6.653 -0.896 10.476 1.00 0.00 N ATOM 0 H LYS B 516 2.117 -0.593 8.832 1.00 0.00 H new ATOM 0 HA LYS B 516 2.856 0.584 6.325 1.00 0.00 H new ATOM 0 HB2 LYS B 516 3.413 -2.171 7.509 1.00 0.00 H new ATOM 0 HB3 LYS B 516 4.222 -1.493 6.111 1.00 0.00 H new ATOM 0 HG2 LYS B 516 5.099 0.361 7.560 1.00 0.00 H new ATOM 0 HG3 LYS B 516 4.352 -0.405 8.948 1.00 0.00 H new ATOM 0 HD2 LYS B 516 5.706 -2.458 8.544 1.00 0.00 H new ATOM 0 HD3 LYS B 516 6.452 -1.693 7.155 1.00 0.00 H new ATOM 0 HE2 LYS B 516 8.007 -1.392 8.923 1.00 0.00 H new ATOM 0 HE3 LYS B 516 7.229 0.167 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 7.479 -1.122 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 6.275 0.033 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 5.921 -1.622 10.613 1.00 0.00 H new ATOM 2512 N VAL B 517 0.498 -0.322 5.404 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.513 -0.836 4.469 1.00 0.00 C ATOM 2514 C VAL B 517 -1.202 0.261 3.692 1.00 0.00 C ATOM 2515 O VAL B 517 -1.371 0.170 2.478 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.591 -1.710 5.166 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -1.087 -3.123 5.307 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -2.009 -1.155 6.531 1.00 0.00 C ATOM 0 H VAL B 517 0.309 0.622 5.740 1.00 0.00 H new ATOM 0 HA VAL B 517 0.050 -1.460 3.775 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.480 -1.695 4.536 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -1.846 -3.733 5.796 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.873 -3.533 4.320 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -0.177 -3.126 5.907 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -2.764 -1.805 6.972 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -1.140 -1.110 7.187 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -2.421 -0.154 6.406 1.00 0.00 H new ATOM 2528 N LEU B 518 -1.582 1.295 4.407 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.276 2.443 3.850 1.00 0.00 C ATOM 2530 C LEU B 518 -1.433 3.237 2.838 1.00 0.00 C ATOM 2531 O LEU B 518 -1.890 4.239 2.285 1.00 0.00 O ATOM 2532 CB LEU B 518 -2.754 3.307 5.007 1.00 0.00 C ATOM 2533 CG LEU B 518 -3.918 2.726 5.860 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -4.819 1.776 5.061 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -3.371 2.016 7.091 1.00 0.00 C ATOM 0 H LEU B 518 -1.416 1.367 5.411 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.128 2.091 3.268 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.907 3.497 5.666 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.069 4.271 4.608 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.534 3.570 6.169 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -5.614 1.400 5.705 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.257 2.312 4.219 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.227 0.939 4.690 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.198 1.615 7.677 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -2.718 1.201 6.780 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -2.805 2.723 7.698 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.207 2.765 2.610 1.00 0.00 N ATOM 2548 CA VAL B 519 0.717 3.349 1.644 1.00 0.00 C ATOM 2549 C VAL B 519 1.470 2.205 0.971 1.00 0.00 C ATOM 2550 O VAL B 519 1.794 2.285 -0.214 1.00 0.00 O ATOM 2551 CB VAL B 519 1.702 4.378 2.280 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.599 5.028 1.218 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.952 5.481 3.019 1.00 0.00 C ATOM 0 H VAL B 519 0.175 1.955 3.099 1.00 0.00 H new ATOM 0 HA VAL B 519 0.145 3.920 0.912 1.00 0.00 H new ATOM 0 HB VAL B 519 2.319 3.820 2.984 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.272 5.739 1.696 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.183 4.258 0.714 1.00 0.00 H new ATOM 0 HG13 VAL B 519 1.980 5.549 0.488 1.00 0.00 H new ATOM 0 HG21 VAL B 519 1.667 6.181 3.450 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.302 6.010 2.321 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.350 5.042 3.814 1.00 0.00 H new ATOM 2563 N LYS B 520 1.754 1.144 1.748 1.00 0.00 N ATOM 2564 CA LYS B 520 2.400 -0.053 1.238 1.00 0.00 C ATOM 2565 C LYS B 520 1.535 -0.750 0.200 1.00 0.00 C ATOM 2566 O LYS B 520 2.048 -1.385 -0.726 1.00 0.00 O ATOM 2567 CB LYS B 520 2.683 -1.010 2.378 1.00 0.00 C ATOM 2568 CG LYS B 520 4.129 -1.464 2.416 1.00 0.00 C ATOM 2569 CD LYS B 520 4.666 -1.818 1.021 1.00 0.00 C ATOM 2570 CE LYS B 520 5.463 -3.113 1.037 1.00 0.00 C ATOM 2571 NZ LYS B 520 5.975 -3.467 -0.315 1.00 0.00 N ATOM 0 H LYS B 520 1.538 1.104 2.744 1.00 0.00 H new ATOM 0 HA LYS B 520 3.334 0.247 0.763 1.00 0.00 H new ATOM 0 HB2 LYS B 520 2.433 -0.527 3.323 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.035 -1.882 2.284 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.744 -0.675 2.850 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.218 -2.333 3.068 1.00 0.00 H new ATOM 0 HD2 LYS B 520 3.834 -1.912 0.324 1.00 0.00 H new ATOM 0 HD3 LYS B 520 5.297 -1.007 0.657 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.300 -3.015 1.728 1.00 0.00 H new ATOM 0 HE3 LYS B 520 4.834 -3.921 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 6.513 -4.356 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 5.175 -3.585 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.596 -2.708 -0.661 1.00 0.00 H new ATOM 2585 N ALA B 521 0.215 -0.619 0.373 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.752 -1.180 -0.560 1.00 0.00 C ATOM 2587 C ALA B 521 -0.941 -0.208 -1.727 1.00 0.00 C ATOM 2588 O ALA B 521 -1.895 -0.284 -2.510 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.054 -1.464 0.155 1.00 0.00 C ATOM 0 H ALA B 521 -0.205 -0.124 1.160 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.388 -2.127 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.772 -1.883 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.878 -2.176 0.961 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.451 -0.537 0.569 1.00 0.00 H new ATOM 2595 N VAL B 522 0.038 0.689 -1.806 1.00 0.00 N ATOM 2596 CA VAL B 522 0.124 1.737 -2.796 1.00 0.00 C ATOM 2597 C VAL B 522 1.549 1.766 -3.377 1.00 0.00 C ATOM 2598 O VAL B 522 1.745 2.223 -4.506 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.249 3.147 -2.238 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.674 4.076 -3.369 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.358 3.077 -1.189 1.00 0.00 C ATOM 0 H VAL B 522 0.820 0.698 -1.152 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.607 1.508 -3.571 1.00 0.00 H new ATOM 0 HB VAL B 522 0.645 3.543 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.930 5.053 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.146 4.183 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.542 3.657 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.583 4.081 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.253 2.641 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.030 2.458 -0.354 1.00 0.00 H new ATOM 2611 N LEU B 523 2.546 1.272 -2.594 1.00 0.00 N ATOM 2612 CA LEU B 523 3.932 1.207 -3.051 1.00 0.00 C ATOM 2613 C LEU B 523 4.129 -0.080 -3.846 1.00 0.00 C ATOM 2614 O LEU B 523 5.161 -0.286 -4.489 1.00 0.00 O ATOM 2615 CB LEU B 523 4.901 1.248 -1.865 1.00 0.00 C ATOM 2616 CG LEU B 523 4.959 2.586 -1.118 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.848 2.384 0.387 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.226 3.357 -1.455 1.00 0.00 C ATOM 0 H LEU B 523 2.401 0.918 -1.649 1.00 0.00 H new ATOM 0 HA LEU B 523 4.141 2.070 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.619 0.467 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.901 1.007 -2.225 1.00 0.00 H new ATOM 0 HG LEU B 523 4.104 3.176 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.892 3.351 0.888 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.901 1.898 0.620 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.671 1.759 0.732 1.00 0.00 H new ATOM 0 HD21 LEU B 523 6.234 4.300 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.097 2.766 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.256 3.558 -2.526 1.00 0.00 H new ATOM 2630 N PHE B 524 3.106 -0.945 -3.769 1.00 0.00 N ATOM 2631 CA PHE B 524 3.084 -2.214 -4.479 1.00 0.00 C ATOM 2632 C PHE B 524 2.473 -2.037 -5.883 1.00 0.00 C ATOM 2633 O PHE B 524 2.863 -2.725 -6.831 1.00 0.00 O ATOM 2634 CB PHE B 524 2.313 -3.263 -3.638 1.00 0.00 C ATOM 2635 CG PHE B 524 1.217 -4.000 -4.368 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.091 -3.548 -4.316 1.00 0.00 C ATOM 2637 CD2 PHE B 524 1.502 -5.133 -5.110 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.096 -4.213 -4.991 1.00 0.00 C ATOM 2639 CE2 PHE B 524 0.502 -5.803 -5.786 1.00 0.00 C ATOM 2640 CZ PHE B 524 -0.798 -5.342 -5.727 1.00 0.00 C ATOM 0 H PHE B 524 2.272 -0.775 -3.208 1.00 0.00 H new ATOM 0 HA PHE B 524 4.103 -2.574 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE B 524 3.027 -3.993 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.877 -2.762 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.328 -2.665 -3.741 1.00 0.00 H new ATOM 0 HD2 PHE B 524 2.518 -5.497 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.112 -3.851 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE B 524 0.736 -6.687 -6.360 1.00 0.00 H new ATOM 0 HZ PHE B 524 -1.581 -5.864 -6.256 1.00 0.00 H new ATOM 2650 N ALA B 525 1.514 -1.106 -5.985 1.00 0.00 N ATOM 2651 CA ALA B 525 0.815 -0.806 -7.240 1.00 0.00 C ATOM 2652 C ALA B 525 1.603 0.172 -8.129 1.00 0.00 C ATOM 2653 O ALA B 525 1.189 0.459 -9.258 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.560 -0.232 -6.918 1.00 0.00 C ATOM 0 H ALA B 525 1.201 -0.539 -5.197 1.00 0.00 H new ATOM 0 HA ALA B 525 0.716 -1.735 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.086 -0.006 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.133 -0.960 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.445 0.681 -6.334 1.00 0.00 H new ATOM 2660 N CYS B 526 2.744 0.670 -7.618 1.00 0.00 N ATOM 2661 CA CYS B 526 3.598 1.621 -8.355 1.00 0.00 C ATOM 2662 C CYS B 526 4.314 0.980 -9.562 1.00 0.00 C ATOM 2663 O CYS B 526 4.889 1.693 -10.391 1.00 0.00 O ATOM 2664 CB CYS B 526 4.648 2.216 -7.406 1.00 0.00 C ATOM 2665 SG CYS B 526 5.929 1.044 -6.892 1.00 0.00 S ATOM 0 H CYS B 526 3.098 0.428 -6.692 1.00 0.00 H new ATOM 0 HA CYS B 526 2.940 2.399 -8.743 1.00 0.00 H new ATOM 0 HB2 CYS B 526 5.124 3.066 -7.895 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.144 2.599 -6.519 1.00 0.00 H new ATOM 0 HG CYS B 526 5.455 0.261 -5.969 1.00 0.00 H new ATOM 2671 N MET B 527 4.267 -0.355 -9.654 1.00 0.00 N ATOM 2672 CA MET B 527 4.938 -1.083 -10.733 1.00 0.00 C ATOM 2673 C MET B 527 3.960 -1.576 -11.813 1.00 0.00 C ATOM 2674 O MET B 527 4.400 -1.983 -12.890 1.00 0.00 O ATOM 2675 CB MET B 527 5.724 -2.263 -10.140 1.00 0.00 C ATOM 2676 CG MET B 527 6.836 -2.803 -11.043 1.00 0.00 C ATOM 2677 SD MET B 527 6.552 -4.513 -11.548 1.00 0.00 S ATOM 2678 CE MET B 527 6.998 -5.396 -10.054 1.00 0.00 C ATOM 0 H MET B 527 3.770 -0.952 -8.992 1.00 0.00 H new ATOM 0 HA MET B 527 5.620 -0.390 -11.226 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.162 -1.951 -9.192 1.00 0.00 H new ATOM 0 HB3 MET B 527 5.028 -3.072 -9.919 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.916 -2.175 -11.930 1.00 0.00 H new ATOM 0 HG3 MET B 527 7.789 -2.737 -10.519 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.740 -6.449 -10.163 1.00 0.00 H new ATOM 0 HE2 MET B 527 8.070 -5.301 -9.881 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.456 -4.976 -9.207 1.00 0.00 H new ATOM 2688 N LEU B 528 2.643 -1.541 -11.532 1.00 0.00 N ATOM 2689 CA LEU B 528 1.617 -1.993 -12.494 1.00 0.00 C ATOM 2690 C LEU B 528 1.671 -1.236 -13.831 1.00 0.00 C ATOM 2691 O LEU B 528 1.290 -1.778 -14.872 1.00 0.00 O ATOM 2692 CB LEU B 528 0.215 -1.859 -11.895 1.00 0.00 C ATOM 2693 CG LEU B 528 0.011 -2.595 -10.574 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.170 -2.015 -9.815 1.00 0.00 C ATOM 2695 CD2 LEU B 528 -0.185 -4.088 -10.787 1.00 0.00 C ATOM 0 H LEU B 528 2.264 -1.205 -10.647 1.00 0.00 H new ATOM 0 HA LEU B 528 1.837 -3.041 -12.698 1.00 0.00 H new ATOM 0 HB2 LEU B 528 -0.000 -0.801 -11.743 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.511 -2.231 -12.618 1.00 0.00 H new ATOM 0 HG LEU B 528 0.916 -2.457 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.299 -2.553 -8.876 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.986 -0.961 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -2.073 -2.114 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.327 -4.577 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -1.063 -4.254 -11.411 1.00 0.00 H new ATOM 0 HD23 LEU B 528 0.694 -4.504 -11.279 1.00 0.00 H new ATOM 2707 N MET B 529 2.148 0.016 -13.782 1.00 0.00 N ATOM 2708 CA MET B 529 2.260 0.866 -14.976 1.00 0.00 C ATOM 2709 C MET B 529 3.632 0.700 -15.667 1.00 0.00 C ATOM 2710 O MET B 529 4.180 1.654 -16.235 1.00 0.00 O ATOM 2711 CB MET B 529 1.984 2.346 -14.612 1.00 0.00 C ATOM 2712 CG MET B 529 2.805 2.888 -13.444 1.00 0.00 C ATOM 2713 SD MET B 529 2.441 4.615 -13.077 1.00 0.00 S ATOM 2714 CE MET B 529 3.549 4.910 -11.701 1.00 0.00 C ATOM 0 H MET B 529 2.464 0.465 -12.922 1.00 0.00 H new ATOM 0 HA MET B 529 1.504 0.544 -15.692 1.00 0.00 H new ATOM 0 HB2 MET B 529 2.178 2.962 -15.490 1.00 0.00 H new ATOM 0 HB3 MET B 529 0.926 2.455 -14.374 1.00 0.00 H new ATOM 0 HG2 MET B 529 2.610 2.284 -12.558 1.00 0.00 H new ATOM 0 HG3 MET B 529 3.866 2.786 -13.673 1.00 0.00 H new ATOM 0 HE1 MET B 529 3.440 5.940 -11.361 1.00 0.00 H new ATOM 0 HE2 MET B 529 3.304 4.230 -10.885 1.00 0.00 H new ATOM 0 HE3 MET B 529 4.578 4.740 -12.019 1.00 0.00 H new ATOM 2724 N ARG B 530 4.163 -0.532 -15.630 1.00 0.00 N ATOM 2725 CA ARG B 530 5.462 -0.854 -16.241 1.00 0.00 C ATOM 2726 C ARG B 530 5.343 -1.095 -17.756 1.00 0.00 C ATOM 2727 O ARG B 530 6.256 -0.758 -18.514 1.00 0.00 O ATOM 2728 CB ARG B 530 6.105 -2.075 -15.547 1.00 0.00 C ATOM 2729 CG ARG B 530 5.218 -3.323 -15.458 1.00 0.00 C ATOM 2730 CD ARG B 530 5.997 -4.536 -14.968 1.00 0.00 C ATOM 2731 NE ARG B 530 6.899 -5.071 -15.996 1.00 0.00 N ATOM 2732 CZ ARG B 530 7.639 -6.182 -15.861 1.00 0.00 C ATOM 2733 NH1 ARG B 530 7.604 -6.901 -14.741 1.00 0.00 N ATOM 2734 NH2 ARG B 530 8.421 -6.573 -16.858 1.00 0.00 N ATOM 0 H ARG B 530 3.709 -1.327 -15.180 1.00 0.00 H new ATOM 0 HA ARG B 530 6.109 0.012 -16.098 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.018 -2.336 -16.082 1.00 0.00 H new ATOM 0 HB3 ARG B 530 6.398 -1.785 -14.538 1.00 0.00 H new ATOM 0 HG2 ARG B 530 4.384 -3.129 -14.783 1.00 0.00 H new ATOM 0 HG3 ARG B 530 4.791 -3.536 -16.438 1.00 0.00 H new ATOM 0 HD2 ARG B 530 6.576 -4.261 -14.087 1.00 0.00 H new ATOM 0 HD3 ARG B 530 5.298 -5.314 -14.660 1.00 0.00 H new ATOM 0 HE ARG B 530 6.968 -4.561 -16.877 1.00 0.00 H new ATOM 0 HH11 ARG B 530 7.007 -6.610 -13.967 1.00 0.00 H new ATOM 0 HH12 ARG B 530 8.174 -7.743 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG B 530 8.457 -6.030 -17.721 1.00 0.00 H new ATOM 0 HH22 ARG B 530 8.986 -7.417 -16.762 1.00 0.00 H new ATOM 2748 N LYS B 531 4.201 -1.679 -18.181 1.00 0.00 N ATOM 2749 CA LYS B 531 3.910 -1.990 -19.602 1.00 0.00 C ATOM 2750 C LYS B 531 4.905 -3.003 -20.184 1.00 0.00 C ATOM 2751 O LYS B 531 4.474 -4.130 -20.507 1.00 0.00 O ATOM 2752 CB LYS B 531 3.878 -0.711 -20.471 1.00 0.00 C ATOM 2753 CG LYS B 531 2.709 0.232 -20.178 1.00 0.00 C ATOM 2754 CD LYS B 531 1.419 -0.195 -20.879 1.00 0.00 C ATOM 2755 CE LYS B 531 0.403 -0.741 -19.889 1.00 0.00 C ATOM 2756 NZ LYS B 531 -0.872 -1.124 -20.556 1.00 0.00 N ATOM 2757 OXT LYS B 531 6.104 -2.666 -20.302 1.00 0.00 O ATOM 0 H LYS B 531 3.450 -1.950 -17.546 1.00 0.00 H new ATOM 0 HA LYS B 531 2.919 -2.443 -19.622 1.00 0.00 H new ATOM 0 HB2 LYS B 531 4.811 -0.167 -20.327 1.00 0.00 H new ATOM 0 HB3 LYS B 531 3.838 -1.002 -21.521 1.00 0.00 H new ATOM 0 HG2 LYS B 531 2.538 0.269 -19.102 1.00 0.00 H new ATOM 0 HG3 LYS B 531 2.973 1.241 -20.494 1.00 0.00 H new ATOM 0 HD2 LYS B 531 0.992 0.657 -21.408 1.00 0.00 H new ATOM 0 HD3 LYS B 531 1.644 -0.955 -21.627 1.00 0.00 H new ATOM 0 HE2 LYS B 531 0.822 -1.609 -19.381 1.00 0.00 H new ATOM 0 HE3 LYS B 531 0.202 0.009 -19.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 -1.538 -1.491 -19.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 -1.285 -0.290 -21.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 -0.684 -1.859 -21.268 1.00 0.00 H new TER 2771 LYS B 531