USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 93 ASN : amide:sc= -1.15 K(o=-3.1,f=-7.7!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 170:sc= -1.99! (180deg=-1.79) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0212 (180deg=-0.534) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= 0.339 (180deg=-0.225) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.146 (180deg=-0.831) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.36) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 156:sc= 0.478 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -3.4! (180deg=-6.06!) USER MOD Single : A 43 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-0.13) USER MOD Single : A 44 SER OG : rot 119:sc= 0.847 USER MOD Single : A 46 SER OG : rot 104:sc= 1.08 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0104 (180deg=-0.251) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.795 X(o=-0.8,f=-0.54) USER MOD Single : A 63 GLN : amide:sc= -0.0447 K(o=-0.045,f=-0.88) USER MOD Single : A 67 SER OG : rot 72:sc= 0.994 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.0839 (180deg=-0.693) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 76 THR OG1 : rot -37:sc= -1.88! USER MOD Single : A 78 GLN : amide:sc= -3.68! C(o=-3.7!,f=-7!) USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.625 K(o=-0.63,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 144:sc= 0.944 USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.627 (180deg=-2.26!) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.398 USER MOD Single : A 102 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.29) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 0:sc= -1.52 USER MOD Single : B 11 SER OG : rot -47:sc= 0.0837 USER MOD Single : B 12 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.651 -2.411 8.331 1.00 0.73 N ATOM 2 CA MET A 1 -6.500 -2.211 9.256 1.00 0.31 C ATOM 3 C MET A 1 -5.203 -2.115 8.443 1.00 0.24 C ATOM 4 O MET A 1 -5.180 -2.389 7.260 1.00 0.21 O ATOM 5 CB MET A 1 -6.413 -3.393 10.227 1.00 0.70 C ATOM 6 CG MET A 1 -7.820 -3.766 10.705 1.00 1.55 C ATOM 7 SD MET A 1 -8.619 -2.313 11.432 1.00 2.25 S ATOM 8 CE MET A 1 -8.087 -2.590 13.139 1.00 2.89 C ATOM 0 H1 MET A 1 -8.540 -2.224 8.837 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.567 -1.758 7.526 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.650 -3.391 7.983 1.00 0.73 H new ATOM 0 HA MET A 1 -6.642 -1.290 9.821 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.946 -4.247 9.736 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.785 -3.132 11.079 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.412 -4.139 9.869 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.764 -4.569 11.440 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.476 -1.794 13.775 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.466 -3.551 13.487 1.00 2.89 H new ATOM 0 HE3 MET A 1 -6.998 -2.592 13.185 1.00 2.89 H new ATOM 20 N VAL A 2 -4.123 -1.729 9.070 1.00 0.24 N ATOM 21 CA VAL A 2 -2.825 -1.614 8.337 1.00 0.19 C ATOM 22 C VAL A 2 -2.030 -2.913 8.508 1.00 0.22 C ATOM 23 O VAL A 2 -2.339 -3.733 9.350 1.00 0.28 O ATOM 24 CB VAL A 2 -2.025 -0.442 8.913 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.665 -0.350 8.217 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.798 0.863 8.695 1.00 0.30 C ATOM 0 H VAL A 2 -4.083 -1.488 10.060 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.012 -1.441 7.277 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.873 -0.603 9.980 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.100 0.485 8.631 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.112 -1.276 8.375 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.813 -0.194 7.148 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.228 1.696 9.105 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.953 1.020 7.628 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.764 0.802 9.197 1.00 0.30 H new ATOM 36 N LYS A 3 -1.009 -3.106 7.716 1.00 0.18 N ATOM 37 CA LYS A 3 -0.193 -4.352 7.832 1.00 0.22 C ATOM 38 C LYS A 3 1.211 -4.081 7.297 1.00 0.16 C ATOM 39 O LYS A 3 1.386 -3.629 6.183 1.00 0.13 O ATOM 40 CB LYS A 3 -0.842 -5.471 7.008 1.00 0.26 C ATOM 41 CG LYS A 3 0.058 -6.714 6.968 1.00 0.34 C ATOM 42 CD LYS A 3 0.403 -7.169 8.389 1.00 0.81 C ATOM 43 CE LYS A 3 0.915 -8.611 8.352 1.00 1.37 C ATOM 44 NZ LYS A 3 1.921 -8.751 7.261 1.00 1.97 N ATOM 0 H LYS A 3 -0.704 -2.455 6.993 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.139 -4.657 8.877 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.809 -5.731 7.438 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -1.029 -5.119 5.993 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.447 -7.519 6.434 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.973 -6.491 6.419 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.161 -6.514 8.818 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.477 -7.100 9.028 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.362 -8.874 9.310 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.086 -9.299 8.188 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 2.463 -9.628 7.399 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.434 -8.785 6.342 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.569 -7.938 7.280 1.00 1.97 H new ATOM 58 N GLN A 4 2.213 -4.349 8.087 1.00 0.18 N ATOM 59 CA GLN A 4 3.613 -4.109 7.634 1.00 0.15 C ATOM 60 C GLN A 4 4.164 -5.369 6.965 1.00 0.13 C ATOM 61 O GLN A 4 4.015 -6.469 7.460 1.00 0.14 O ATOM 62 CB GLN A 4 4.471 -3.745 8.852 1.00 0.20 C ATOM 63 CG GLN A 4 5.968 -3.854 8.506 1.00 0.21 C ATOM 64 CD GLN A 4 6.794 -3.058 9.520 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.427 -2.957 10.674 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.902 -2.487 9.136 1.00 0.98 N ATOM 0 H GLN A 4 2.123 -4.725 9.031 1.00 0.18 H new ATOM 0 HA GLN A 4 3.634 -3.292 6.912 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.239 -2.731 9.178 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.234 -4.409 9.683 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.277 -4.899 8.512 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.147 -3.475 7.500 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.210 -2.572 8.167 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.460 -1.956 9.804 1.00 0.98 H new ATOM 75 N ILE A 5 4.818 -5.203 5.848 1.00 0.10 N ATOM 76 CA ILE A 5 5.417 -6.363 5.124 1.00 0.10 C ATOM 77 C ILE A 5 6.936 -6.260 5.243 1.00 0.10 C ATOM 78 O ILE A 5 7.547 -5.342 4.734 1.00 0.11 O ATOM 79 CB ILE A 5 5.023 -6.304 3.646 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.537 -5.903 3.487 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.289 -7.657 2.986 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.586 -6.913 4.157 1.00 0.19 C ATOM 0 H ILE A 5 4.965 -4.299 5.399 1.00 0.10 H new ATOM 0 HA ILE A 5 5.060 -7.300 5.551 1.00 0.10 H new ATOM 0 HB ILE A 5 5.628 -5.544 3.153 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.380 -4.916 3.922 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.295 -5.827 2.427 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.007 -7.610 1.934 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.349 -7.899 3.067 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.701 -8.427 3.485 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.555 -6.589 4.019 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.721 -7.895 3.705 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.808 -6.971 5.223 1.00 0.19 H new ATOM 94 N GLU A 6 7.548 -7.184 5.928 1.00 0.11 N ATOM 95 CA GLU A 6 9.027 -7.139 6.110 1.00 0.14 C ATOM 96 C GLU A 6 9.693 -8.161 5.179 1.00 0.14 C ATOM 97 O GLU A 6 10.891 -8.141 4.980 1.00 0.17 O ATOM 98 CB GLU A 6 9.353 -7.481 7.567 1.00 0.18 C ATOM 99 CG GLU A 6 8.393 -6.742 8.512 1.00 0.31 C ATOM 100 CD GLU A 6 8.656 -7.186 9.953 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.810 -7.392 10.289 1.00 1.97 O ATOM 102 OE2 GLU A 6 7.696 -7.313 10.696 1.00 1.96 O ATOM 0 H GLU A 6 7.084 -7.975 6.374 1.00 0.11 H new ATOM 0 HA GLU A 6 9.401 -6.144 5.869 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.272 -8.557 7.723 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.383 -7.203 7.792 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.533 -5.665 8.421 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.360 -6.954 8.237 1.00 0.31 H new ATOM 109 N SER A 7 8.926 -9.053 4.606 1.00 0.13 N ATOM 110 CA SER A 7 9.520 -10.073 3.688 1.00 0.15 C ATOM 111 C SER A 7 8.475 -10.527 2.668 1.00 0.14 C ATOM 112 O SER A 7 7.285 -10.416 2.889 1.00 0.12 O ATOM 113 CB SER A 7 9.997 -11.273 4.501 1.00 0.20 C ATOM 114 OG SER A 7 8.939 -11.730 5.334 1.00 0.23 O ATOM 0 H SER A 7 7.916 -9.120 4.733 1.00 0.13 H new ATOM 0 HA SER A 7 10.365 -9.632 3.160 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.321 -12.072 3.834 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.859 -10.996 5.108 1.00 0.20 H new ATOM 0 HG SER A 7 9.243 -12.502 5.856 1.00 0.23 H new ATOM 120 N LYS A 8 8.915 -11.034 1.549 1.00 0.15 N ATOM 121 CA LYS A 8 7.956 -11.496 0.506 1.00 0.14 C ATOM 122 C LYS A 8 6.944 -12.469 1.114 1.00 0.14 C ATOM 123 O LYS A 8 5.804 -12.529 0.704 1.00 0.13 O ATOM 124 CB LYS A 8 8.726 -12.197 -0.616 1.00 0.17 C ATOM 125 CG LYS A 8 7.829 -12.323 -1.848 1.00 0.21 C ATOM 126 CD LYS A 8 8.557 -13.124 -2.931 1.00 0.22 C ATOM 127 CE LYS A 8 7.651 -13.272 -4.154 1.00 1.06 C ATOM 128 NZ LYS A 8 6.353 -13.876 -3.740 1.00 1.90 N ATOM 0 H LYS A 8 9.900 -11.148 1.312 1.00 0.15 H new ATOM 0 HA LYS A 8 7.423 -10.634 0.105 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.624 -11.632 -0.863 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.051 -13.184 -0.287 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.895 -12.817 -1.582 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.570 -11.334 -2.225 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.483 -12.620 -3.210 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.832 -14.107 -2.548 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.481 -12.299 -4.614 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.134 -13.899 -4.904 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 5.872 -14.271 -4.573 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.527 -14.634 -3.050 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 5.752 -13.145 -3.308 1.00 1.90 H new ATOM 142 N THR A 9 7.349 -13.237 2.086 1.00 0.16 N ATOM 143 CA THR A 9 6.400 -14.204 2.708 1.00 0.18 C ATOM 144 C THR A 9 5.202 -13.447 3.279 1.00 0.16 C ATOM 145 O THR A 9 4.065 -13.843 3.110 1.00 0.17 O ATOM 146 CB THR A 9 7.103 -14.960 3.827 1.00 0.21 C ATOM 147 OG1 THR A 9 8.359 -15.433 3.361 1.00 0.24 O ATOM 148 CG2 THR A 9 6.238 -16.140 4.271 1.00 0.25 C ATOM 0 H THR A 9 8.292 -13.238 2.476 1.00 0.16 H new ATOM 0 HA THR A 9 6.057 -14.911 1.953 1.00 0.18 H new ATOM 0 HB THR A 9 7.260 -14.293 4.675 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.813 -15.918 4.081 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.743 -16.680 5.072 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.277 -15.772 4.631 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.076 -16.811 3.427 1.00 0.25 H new ATOM 156 N ALA A 10 5.446 -12.357 3.952 1.00 0.16 N ATOM 157 CA ALA A 10 4.323 -11.570 4.533 1.00 0.17 C ATOM 158 C ALA A 10 3.532 -10.901 3.405 1.00 0.15 C ATOM 159 O ALA A 10 2.354 -10.632 3.533 1.00 0.17 O ATOM 160 CB ALA A 10 4.883 -10.502 5.474 1.00 0.20 C ATOM 0 H ALA A 10 6.377 -11.977 4.125 1.00 0.16 H new ATOM 0 HA ALA A 10 3.663 -12.233 5.092 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.062 -9.925 5.900 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.444 -10.982 6.276 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.543 -9.837 4.917 1.00 0.20 H new ATOM 166 N PHE A 11 4.172 -10.627 2.299 1.00 0.12 N ATOM 167 CA PHE A 11 3.457 -9.974 1.164 1.00 0.11 C ATOM 168 C PHE A 11 2.293 -10.850 0.707 1.00 0.13 C ATOM 169 O PHE A 11 1.145 -10.517 0.911 1.00 0.16 O ATOM 170 CB PHE A 11 4.420 -9.763 -0.010 1.00 0.10 C ATOM 171 CG PHE A 11 3.703 -9.045 -1.133 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.312 -7.702 -0.974 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.438 -9.714 -2.343 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.656 -7.030 -2.023 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.780 -9.042 -3.391 1.00 0.18 C ATOM 176 CZ PHE A 11 2.389 -7.700 -3.231 1.00 0.21 C ATOM 0 H PHE A 11 5.158 -10.827 2.133 1.00 0.12 H new ATOM 0 HA PHE A 11 3.076 -9.010 1.500 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.283 -9.181 0.314 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.797 -10.724 -0.361 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.515 -7.187 -0.047 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.740 -10.744 -2.468 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.358 -5.999 -1.900 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.575 -9.557 -4.318 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.884 -7.185 -4.035 1.00 0.21 H new ATOM 186 N GLN A 12 2.578 -11.960 0.082 1.00 0.15 N ATOM 187 CA GLN A 12 1.477 -12.843 -0.400 1.00 0.19 C ATOM 188 C GLN A 12 0.545 -13.187 0.763 1.00 0.17 C ATOM 189 O GLN A 12 -0.662 -13.180 0.624 1.00 0.16 O ATOM 190 CB GLN A 12 2.066 -14.126 -0.997 1.00 0.24 C ATOM 191 CG GLN A 12 3.258 -14.584 -0.155 1.00 1.21 C ATOM 192 CD GLN A 12 3.661 -16.001 -0.569 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.598 -16.560 -0.034 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.989 -16.612 -1.509 1.00 2.47 N ATOM 0 H GLN A 12 3.522 -12.293 -0.115 1.00 0.15 H new ATOM 0 HA GLN A 12 0.908 -12.322 -1.170 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.307 -14.907 -1.026 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.381 -13.949 -2.025 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.097 -13.901 -0.291 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.999 -14.563 0.903 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.202 -16.145 -1.959 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.251 -17.556 -1.792 1.00 2.47 H new ATOM 203 N GLU A 13 1.087 -13.486 1.909 1.00 0.19 N ATOM 204 CA GLU A 13 0.219 -13.822 3.066 1.00 0.20 C ATOM 205 C GLU A 13 -0.719 -12.647 3.352 1.00 0.18 C ATOM 206 O GLU A 13 -1.870 -12.833 3.692 1.00 0.19 O ATOM 207 CB GLU A 13 1.089 -14.101 4.291 1.00 0.25 C ATOM 208 CG GLU A 13 1.702 -15.501 4.187 1.00 0.30 C ATOM 209 CD GLU A 13 0.608 -16.556 4.365 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.266 -16.345 5.188 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.667 -17.562 3.676 1.00 2.10 O ATOM 0 H GLU A 13 2.090 -13.512 2.093 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.372 -14.709 2.837 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.879 -13.353 4.365 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.490 -14.023 5.198 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.187 -15.625 3.219 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.472 -15.629 4.948 1.00 0.30 H new ATOM 218 N ALA A 14 -0.243 -11.438 3.212 1.00 0.18 N ATOM 219 CA ALA A 14 -1.121 -10.261 3.470 1.00 0.18 C ATOM 220 C ALA A 14 -2.300 -10.304 2.491 1.00 0.18 C ATOM 221 O ALA A 14 -3.441 -10.120 2.868 1.00 0.19 O ATOM 222 CB ALA A 14 -0.325 -8.974 3.260 1.00 0.20 C ATOM 0 H ALA A 14 0.712 -11.216 2.931 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.489 -10.288 4.496 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.967 -8.114 3.449 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.521 -8.953 3.947 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.040 -8.936 2.234 1.00 0.20 H new ATOM 228 N LEU A 15 -2.030 -10.557 1.237 1.00 0.17 N ATOM 229 CA LEU A 15 -3.128 -10.626 0.228 1.00 0.18 C ATOM 230 C LEU A 15 -4.061 -11.790 0.573 1.00 0.18 C ATOM 231 O LEU A 15 -5.267 -11.684 0.467 1.00 0.18 O ATOM 232 CB LEU A 15 -2.531 -10.848 -1.168 1.00 0.19 C ATOM 233 CG LEU A 15 -1.291 -9.970 -1.350 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.797 -10.076 -2.793 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.645 -8.513 -1.041 1.00 0.62 C ATOM 0 H LEU A 15 -1.093 -10.719 0.867 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.689 -9.691 0.237 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.266 -11.897 -1.297 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.271 -10.610 -1.932 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.508 -10.306 -0.671 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.086 -9.450 -2.922 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.543 -11.112 -3.015 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.581 -9.741 -3.472 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.761 -7.888 -1.171 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.429 -8.177 -1.719 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.997 -8.434 -0.012 1.00 0.62 H new ATOM 247 N ASP A 16 -3.515 -12.902 0.987 1.00 0.19 N ATOM 248 CA ASP A 16 -4.372 -14.069 1.339 1.00 0.21 C ATOM 249 C ASP A 16 -5.253 -13.709 2.536 1.00 0.20 C ATOM 250 O ASP A 16 -6.425 -14.026 2.575 1.00 0.20 O ATOM 251 CB ASP A 16 -3.488 -15.268 1.694 1.00 0.24 C ATOM 252 CG ASP A 16 -4.360 -16.512 1.874 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.020 -16.892 0.921 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.352 -17.065 2.962 1.00 1.07 O ATOM 0 H ASP A 16 -2.512 -13.052 1.096 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.002 -14.327 0.488 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.753 -15.437 0.907 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.933 -15.065 2.610 1.00 0.24 H new ATOM 259 N ALA A 17 -4.697 -13.049 3.516 1.00 0.22 N ATOM 260 CA ALA A 17 -5.504 -12.667 4.709 1.00 0.24 C ATOM 261 C ALA A 17 -6.341 -11.428 4.385 1.00 0.21 C ATOM 262 O ALA A 17 -7.251 -11.076 5.110 1.00 0.22 O ATOM 263 CB ALA A 17 -4.566 -12.357 5.878 1.00 0.30 C ATOM 0 H ALA A 17 -3.720 -12.758 3.542 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.165 -13.490 4.980 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.154 -12.077 6.752 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.969 -13.239 6.109 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.906 -11.533 5.606 1.00 0.30 H new ATOM 269 N ALA A 18 -6.042 -10.762 3.304 1.00 0.21 N ATOM 270 CA ALA A 18 -6.820 -9.545 2.935 1.00 0.22 C ATOM 271 C ALA A 18 -8.243 -9.942 2.537 1.00 0.21 C ATOM 272 O ALA A 18 -9.089 -9.100 2.306 1.00 0.24 O ATOM 273 CB ALA A 18 -6.140 -8.842 1.760 1.00 0.23 C ATOM 0 H ALA A 18 -5.291 -11.008 2.659 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.860 -8.871 3.790 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.709 -7.952 1.490 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.128 -8.554 2.045 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.098 -9.518 0.906 1.00 0.23 H new ATOM 279 N GLY A 19 -8.516 -11.215 2.453 1.00 0.22 N ATOM 280 CA GLY A 19 -9.886 -11.657 2.068 1.00 0.24 C ATOM 281 C GLY A 19 -10.136 -11.323 0.596 1.00 0.20 C ATOM 282 O GLY A 19 -9.486 -11.847 -0.286 1.00 0.28 O ATOM 0 H GLY A 19 -7.851 -11.967 2.634 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.993 -12.729 2.232 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.628 -11.163 2.695 1.00 0.24 H new ATOM 286 N ASP A 20 -11.074 -10.449 0.325 1.00 0.13 N ATOM 287 CA ASP A 20 -11.377 -10.069 -1.090 1.00 0.18 C ATOM 288 C ASP A 20 -11.548 -8.549 -1.182 1.00 0.15 C ATOM 289 O ASP A 20 -11.880 -8.016 -2.223 1.00 0.22 O ATOM 290 CB ASP A 20 -12.674 -10.753 -1.535 1.00 0.26 C ATOM 291 CG ASP A 20 -12.514 -12.270 -1.429 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.391 -12.737 -1.529 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.517 -12.941 -1.250 1.00 2.21 O ATOM 0 H ASP A 20 -11.646 -9.980 1.027 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.558 -10.385 -1.736 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.505 -10.420 -0.913 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.912 -10.473 -2.561 1.00 0.26 H new ATOM 298 N LYS A 21 -11.317 -7.847 -0.105 1.00 0.12 N ATOM 299 CA LYS A 21 -11.460 -6.366 -0.140 1.00 0.19 C ATOM 300 C LYS A 21 -10.322 -5.773 -0.961 1.00 0.15 C ATOM 301 O LYS A 21 -9.374 -6.449 -1.300 1.00 0.15 O ATOM 302 CB LYS A 21 -11.402 -5.820 1.288 1.00 0.27 C ATOM 303 CG LYS A 21 -12.761 -6.019 1.959 1.00 0.29 C ATOM 304 CD LYS A 21 -12.607 -5.848 3.472 1.00 0.30 C ATOM 305 CE LYS A 21 -13.988 -5.754 4.158 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.150 -6.908 5.089 1.00 1.90 N ATOM 0 H LYS A 21 -11.036 -8.236 0.795 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.414 -6.096 -0.593 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.625 -6.333 1.855 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.141 -4.762 1.275 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.480 -5.298 1.571 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.150 -7.011 1.731 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.049 -6.689 3.882 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.029 -4.948 3.684 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.073 -4.815 4.705 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.781 -5.760 3.410 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.078 -6.851 5.554 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.085 -7.797 4.554 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.400 -6.881 5.809 1.00 1.90 H new ATOM 320 N LEU A 22 -10.404 -4.513 -1.281 1.00 0.13 N ATOM 321 CA LEU A 22 -9.315 -3.897 -2.079 1.00 0.11 C ATOM 322 C LEU A 22 -8.027 -3.932 -1.237 1.00 0.10 C ATOM 323 O LEU A 22 -8.071 -4.101 -0.034 1.00 0.11 O ATOM 324 CB LEU A 22 -9.701 -2.441 -2.432 1.00 0.12 C ATOM 325 CG LEU A 22 -9.335 -2.080 -3.892 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.602 -0.579 -4.115 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.855 -2.383 -4.187 1.00 0.11 C ATOM 0 H LEU A 22 -11.171 -3.890 -1.027 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.156 -4.443 -3.009 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.772 -2.304 -2.283 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.194 -1.757 -1.752 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.946 -2.683 -4.564 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.348 -0.313 -5.141 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.656 -0.366 -3.936 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -8.992 0.005 -3.426 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.628 -2.119 -5.220 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.224 -1.800 -3.517 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.663 -3.445 -4.034 1.00 0.11 H new ATOM 339 N VAL A 23 -6.884 -3.770 -1.849 1.00 0.08 N ATOM 340 CA VAL A 23 -5.607 -3.789 -1.079 1.00 0.09 C ATOM 341 C VAL A 23 -4.627 -2.796 -1.698 1.00 0.08 C ATOM 342 O VAL A 23 -4.101 -3.021 -2.769 1.00 0.09 O ATOM 343 CB VAL A 23 -4.999 -5.189 -1.138 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.821 -5.269 -0.168 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.055 -6.221 -0.746 1.00 0.10 C ATOM 0 H VAL A 23 -6.780 -3.625 -2.853 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.805 -3.516 -0.043 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.652 -5.394 -2.151 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.384 -6.267 -0.207 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.068 -4.532 -0.448 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.169 -5.065 0.845 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.621 -7.220 -0.788 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.403 -6.019 0.267 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.896 -6.161 -1.437 1.00 0.10 H new ATOM 355 N VAL A 24 -4.364 -1.703 -1.026 1.00 0.08 N ATOM 356 CA VAL A 24 -3.404 -0.692 -1.563 1.00 0.08 C ATOM 357 C VAL A 24 -2.082 -0.832 -0.813 1.00 0.08 C ATOM 358 O VAL A 24 -2.048 -0.917 0.400 1.00 0.08 O ATOM 359 CB VAL A 24 -3.964 0.716 -1.362 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.199 1.707 -2.242 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.443 0.740 -1.740 1.00 0.09 C ATOM 0 H VAL A 24 -4.776 -1.467 -0.123 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.249 -0.858 -2.629 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.852 0.999 -0.315 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.601 2.709 -2.096 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.144 1.696 -1.969 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.306 1.422 -3.289 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.839 1.745 -1.596 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.556 0.452 -2.785 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.991 0.040 -1.109 1.00 0.09 H new ATOM 371 N VAL A 25 -0.994 -0.870 -1.530 1.00 0.09 N ATOM 372 CA VAL A 25 0.348 -1.021 -0.890 1.00 0.09 C ATOM 373 C VAL A 25 1.152 0.260 -1.082 1.00 0.10 C ATOM 374 O VAL A 25 1.255 0.780 -2.171 1.00 0.17 O ATOM 375 CB VAL A 25 1.085 -2.173 -1.569 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.286 -2.591 -0.719 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.137 -3.362 -1.735 1.00 0.09 C ATOM 0 H VAL A 25 -0.975 -0.802 -2.548 1.00 0.09 H new ATOM 0 HA VAL A 25 0.229 -1.220 0.175 1.00 0.09 H new ATOM 0 HB VAL A 25 1.434 -1.848 -2.549 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.809 -3.413 -1.207 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.964 -1.745 -0.607 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.942 -2.913 0.264 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.665 -4.183 -2.220 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.216 -3.685 -0.756 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.714 -3.066 -2.348 1.00 0.09 H new ATOM 387 N ASP A 26 1.733 0.765 -0.029 1.00 0.08 N ATOM 388 CA ASP A 26 2.545 2.012 -0.131 1.00 0.08 C ATOM 389 C ASP A 26 4.032 1.658 -0.068 1.00 0.08 C ATOM 390 O ASP A 26 4.553 1.311 0.974 1.00 0.09 O ATOM 391 CB ASP A 26 2.191 2.926 1.040 1.00 0.09 C ATOM 392 CG ASP A 26 3.029 4.204 0.967 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.251 4.681 -0.134 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.433 4.686 2.013 1.00 0.96 O ATOM 0 H ASP A 26 1.680 0.364 0.907 1.00 0.08 H new ATOM 0 HA ASP A 26 2.334 2.517 -1.074 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.130 3.173 1.013 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.375 2.412 1.984 1.00 0.09 H new ATOM 399 N PHE A 27 4.722 1.751 -1.170 1.00 0.08 N ATOM 400 CA PHE A 27 6.177 1.432 -1.171 1.00 0.09 C ATOM 401 C PHE A 27 6.944 2.710 -0.832 1.00 0.11 C ATOM 402 O PHE A 27 7.436 3.395 -1.709 1.00 0.13 O ATOM 403 CB PHE A 27 6.585 0.976 -2.566 1.00 0.10 C ATOM 404 CG PHE A 27 6.144 -0.452 -2.813 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.804 -0.745 -3.133 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.087 -1.490 -2.743 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.413 -2.078 -3.376 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.697 -2.820 -2.987 1.00 0.21 C ATOM 409 CZ PHE A 27 5.361 -3.112 -3.305 1.00 0.23 C ATOM 0 H PHE A 27 4.340 2.035 -2.072 1.00 0.08 H new ATOM 0 HA PHE A 27 6.394 0.647 -0.446 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.141 1.633 -3.313 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.667 1.052 -2.677 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.076 0.051 -3.192 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.116 -1.267 -2.501 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.385 -2.304 -3.617 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.425 -3.616 -2.930 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.062 -4.132 -3.495 1.00 0.23 H new ATOM 419 N SER A 28 7.038 3.037 0.430 1.00 0.11 N ATOM 420 CA SER A 28 7.763 4.278 0.849 1.00 0.12 C ATOM 421 C SER A 28 9.011 3.898 1.640 1.00 0.10 C ATOM 422 O SER A 28 9.065 2.866 2.277 1.00 0.11 O ATOM 423 CB SER A 28 6.847 5.126 1.732 1.00 0.17 C ATOM 424 OG SER A 28 5.623 5.361 1.049 1.00 1.03 O ATOM 0 H SER A 28 6.641 2.494 1.197 1.00 0.11 H new ATOM 0 HA SER A 28 8.051 4.846 -0.036 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.658 4.615 2.676 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.330 6.073 1.973 1.00 0.17 H new ATOM 0 HG SER A 28 4.916 5.550 1.701 1.00 1.03 H new ATOM 430 N ALA A 29 10.014 4.730 1.610 1.00 0.10 N ATOM 431 CA ALA A 29 11.262 4.430 2.367 1.00 0.15 C ATOM 432 C ALA A 29 11.165 5.079 3.753 1.00 0.18 C ATOM 433 O ALA A 29 10.968 6.271 3.879 1.00 0.26 O ATOM 434 CB ALA A 29 12.457 4.997 1.588 1.00 0.19 C ATOM 0 H ALA A 29 10.024 5.609 1.092 1.00 0.10 H new ATOM 0 HA ALA A 29 11.394 3.355 2.488 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.378 4.785 2.130 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.501 4.534 0.602 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.341 6.075 1.478 1.00 0.19 H new ATOM 440 N THR A 30 11.294 4.303 4.792 1.00 0.18 N ATOM 441 CA THR A 30 11.201 4.874 6.166 1.00 0.23 C ATOM 442 C THR A 30 12.373 5.828 6.410 1.00 0.26 C ATOM 443 O THR A 30 12.325 6.676 7.278 1.00 0.31 O ATOM 444 CB THR A 30 11.244 3.739 7.193 1.00 0.26 C ATOM 445 OG1 THR A 30 11.187 4.286 8.503 1.00 0.32 O ATOM 446 CG2 THR A 30 12.540 2.945 7.027 1.00 0.28 C ATOM 0 H THR A 30 11.460 3.297 4.750 1.00 0.18 H new ATOM 0 HA THR A 30 10.264 5.422 6.266 1.00 0.23 H new ATOM 0 HB THR A 30 10.393 3.076 7.037 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.213 3.561 9.162 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.568 2.138 7.759 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.583 2.525 6.022 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.393 3.605 7.182 1.00 0.28 H new ATOM 454 N TRP A 31 13.429 5.692 5.654 1.00 0.26 N ATOM 455 CA TRP A 31 14.610 6.587 5.844 1.00 0.32 C ATOM 456 C TRP A 31 14.461 7.840 4.975 1.00 0.32 C ATOM 457 O TRP A 31 15.123 8.836 5.185 1.00 0.36 O ATOM 458 CB TRP A 31 15.883 5.831 5.437 1.00 0.34 C ATOM 459 CG TRP A 31 15.897 5.621 3.956 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.486 4.498 3.322 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.331 6.546 2.919 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.644 4.673 1.955 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.156 5.921 1.656 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.851 7.859 2.952 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.492 6.578 0.464 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.190 8.523 1.758 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.005 7.886 0.515 1.00 0.40 C ATOM 0 H TRP A 31 13.526 4.999 4.912 1.00 0.26 H new ATOM 0 HA TRP A 31 14.674 6.885 6.890 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.765 6.395 5.742 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.926 4.870 5.950 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.099 3.611 3.802 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.411 3.967 1.257 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.989 8.357 3.900 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.358 6.083 -0.486 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.593 9.524 1.795 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.257 8.403 -0.399 1.00 0.40 H new ATOM 478 N CYS A 32 13.609 7.791 3.988 1.00 0.28 N ATOM 479 CA CYS A 32 13.434 8.966 3.087 1.00 0.30 C ATOM 480 C CYS A 32 12.297 9.856 3.600 1.00 0.31 C ATOM 481 O CYS A 32 11.312 9.389 4.132 1.00 0.29 O ATOM 482 CB CYS A 32 13.124 8.448 1.678 1.00 0.28 C ATOM 483 SG CYS A 32 13.741 9.610 0.433 1.00 0.32 S ATOM 0 H CYS A 32 13.024 6.985 3.766 1.00 0.28 H new ATOM 0 HA CYS A 32 14.344 9.566 3.065 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.584 7.470 1.533 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.049 8.315 1.560 1.00 0.28 H new ATOM 488 N GLY A 33 12.450 11.142 3.451 1.00 0.34 N ATOM 489 CA GLY A 33 11.415 12.096 3.928 1.00 0.36 C ATOM 490 C GLY A 33 10.287 12.270 2.898 1.00 0.35 C ATOM 491 O GLY A 33 9.142 12.071 3.230 1.00 0.33 O ATOM 0 H GLY A 33 13.261 11.577 3.012 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.997 11.739 4.869 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.876 13.063 4.130 1.00 0.36 H new ATOM 495 N PRO A 34 10.626 12.673 1.689 1.00 0.37 N ATOM 496 CA PRO A 34 9.616 12.921 0.637 1.00 0.38 C ATOM 497 C PRO A 34 8.602 11.773 0.530 1.00 0.35 C ATOM 498 O PRO A 34 7.420 11.999 0.369 1.00 0.36 O ATOM 499 CB PRO A 34 10.437 13.087 -0.665 1.00 0.42 C ATOM 500 CG PRO A 34 11.920 13.289 -0.236 1.00 0.44 C ATOM 501 CD PRO A 34 12.026 12.900 1.258 1.00 0.40 C ATOM 0 HA PRO A 34 9.013 13.803 0.855 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.335 12.208 -1.302 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.081 13.941 -1.241 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.582 12.671 -0.842 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.225 14.325 -0.386 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.632 12.004 1.392 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.496 13.692 1.841 1.00 0.40 H new ATOM 509 N ALA A 35 9.041 10.554 0.611 1.00 0.33 N ATOM 510 CA ALA A 35 8.079 9.424 0.505 1.00 0.32 C ATOM 511 C ALA A 35 7.303 9.306 1.816 1.00 0.39 C ATOM 512 O ALA A 35 6.091 9.390 1.847 1.00 0.81 O ATOM 513 CB ALA A 35 8.847 8.128 0.244 1.00 0.36 C ATOM 0 H ALA A 35 10.017 10.289 0.745 1.00 0.33 H new ATOM 0 HA ALA A 35 7.385 9.603 -0.316 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.145 7.298 0.166 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.407 8.218 -0.687 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.538 7.942 1.067 1.00 0.36 H new ATOM 519 N LYS A 36 7.999 9.111 2.896 1.00 0.30 N ATOM 520 CA LYS A 36 7.328 8.985 4.219 1.00 0.28 C ATOM 521 C LYS A 36 6.527 10.254 4.530 1.00 0.24 C ATOM 522 O LYS A 36 5.656 10.256 5.377 1.00 0.25 O ATOM 523 CB LYS A 36 8.398 8.781 5.290 1.00 0.35 C ATOM 524 CG LYS A 36 7.727 8.569 6.644 1.00 0.38 C ATOM 525 CD LYS A 36 8.778 8.192 7.697 1.00 0.49 C ATOM 526 CE LYS A 36 9.543 9.442 8.150 1.00 1.22 C ATOM 527 NZ LYS A 36 10.398 9.103 9.323 1.00 1.92 N ATOM 0 H LYS A 36 9.016 9.032 2.921 1.00 0.30 H new ATOM 0 HA LYS A 36 6.644 8.137 4.202 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.018 7.920 5.041 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.057 9.648 5.330 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.206 9.477 6.947 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.977 7.781 6.568 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.294 7.722 8.553 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.473 7.461 7.283 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.159 9.820 7.334 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.843 10.234 8.414 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 10.917 9.950 9.631 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.799 8.762 10.102 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 11.075 8.360 9.056 1.00 1.92 H new ATOM 541 N MET A 37 6.821 11.336 3.861 1.00 0.23 N ATOM 542 CA MET A 37 6.088 12.608 4.132 1.00 0.24 C ATOM 543 C MET A 37 4.588 12.421 3.882 1.00 0.20 C ATOM 544 O MET A 37 3.779 13.209 4.331 1.00 0.20 O ATOM 545 CB MET A 37 6.620 13.720 3.218 1.00 0.29 C ATOM 546 CG MET A 37 5.940 15.046 3.563 1.00 1.31 C ATOM 547 SD MET A 37 6.834 16.404 2.766 1.00 2.12 S ATOM 548 CE MET A 37 8.020 16.717 4.097 1.00 3.13 C ATOM 0 H MET A 37 7.538 11.395 3.138 1.00 0.23 H new ATOM 0 HA MET A 37 6.245 12.885 5.175 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.700 13.814 3.335 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.433 13.466 2.175 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.902 15.033 3.229 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.925 15.190 4.643 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.682 17.534 3.810 1.00 3.13 H new ATOM 0 HE2 MET A 37 7.483 16.988 5.006 1.00 3.13 H new ATOM 0 HE3 MET A 37 8.610 15.818 4.278 1.00 3.13 H new ATOM 558 N ILE A 38 4.204 11.397 3.153 1.00 0.18 N ATOM 559 CA ILE A 38 2.746 11.184 2.859 1.00 0.15 C ATOM 560 C ILE A 38 2.147 10.118 3.772 1.00 0.16 C ATOM 561 O ILE A 38 1.051 9.648 3.542 1.00 0.16 O ATOM 562 CB ILE A 38 2.564 10.751 1.402 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.217 11.803 0.496 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.055 10.633 1.073 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.248 11.322 -0.977 1.00 0.28 C ATOM 0 H ILE A 38 4.833 10.702 2.750 1.00 0.18 H new ATOM 0 HA ILE A 38 2.230 12.128 3.036 1.00 0.15 H new ATOM 0 HB ILE A 38 3.032 9.780 1.240 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.666 12.741 0.565 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.232 12.004 0.839 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.932 10.325 0.035 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.597 9.892 1.728 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.573 11.599 1.224 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.716 12.085 -1.599 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.820 10.397 -1.046 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.230 11.145 -1.324 1.00 0.28 H new ATOM 577 N LYS A 39 2.818 9.744 4.824 1.00 0.19 N ATOM 578 CA LYS A 39 2.209 8.726 5.710 1.00 0.22 C ATOM 579 C LYS A 39 0.920 9.239 6.374 1.00 0.20 C ATOM 580 O LYS A 39 0.045 8.447 6.625 1.00 0.21 O ATOM 581 CB LYS A 39 3.193 8.207 6.803 1.00 0.31 C ATOM 582 CG LYS A 39 3.302 9.152 8.038 1.00 0.34 C ATOM 583 CD LYS A 39 3.808 8.380 9.255 1.00 0.45 C ATOM 584 CE LYS A 39 5.151 7.747 8.926 1.00 1.16 C ATOM 585 NZ LYS A 39 4.926 6.504 8.141 1.00 1.62 N ATOM 0 H LYS A 39 3.737 10.090 5.101 1.00 0.19 H new ATOM 0 HA LYS A 39 1.960 7.888 5.059 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.867 7.222 7.136 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.182 8.083 6.362 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.979 9.976 7.815 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.328 9.590 8.256 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.908 9.050 10.109 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.089 7.610 9.536 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.766 8.444 8.357 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.694 7.519 9.843 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.566 5.758 8.481 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.940 6.194 8.257 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 5.114 6.690 7.135 1.00 1.62 H new ATOM 599 N PRO A 40 0.822 10.518 6.721 1.00 0.20 N ATOM 600 CA PRO A 40 -0.366 10.981 7.449 1.00 0.21 C ATOM 601 C PRO A 40 -1.630 10.776 6.615 1.00 0.17 C ATOM 602 O PRO A 40 -2.731 10.839 7.121 1.00 0.20 O ATOM 603 CB PRO A 40 -0.110 12.473 7.758 1.00 0.24 C ATOM 604 CG PRO A 40 1.305 12.825 7.221 1.00 0.25 C ATOM 605 CD PRO A 40 1.806 11.601 6.422 1.00 0.21 C ATOM 0 HA PRO A 40 -0.527 10.417 8.368 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.867 13.098 7.284 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.170 12.658 8.830 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.267 13.710 6.586 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.983 13.052 8.043 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.845 11.815 5.354 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.813 11.315 6.727 1.00 0.21 H new ATOM 613 N PHE A 41 -1.482 10.531 5.348 1.00 0.14 N ATOM 614 CA PHE A 41 -2.675 10.319 4.482 1.00 0.14 C ATOM 615 C PHE A 41 -2.912 8.824 4.312 1.00 0.11 C ATOM 616 O PHE A 41 -3.872 8.278 4.806 1.00 0.13 O ATOM 617 CB PHE A 41 -2.407 10.948 3.116 1.00 0.15 C ATOM 618 CG PHE A 41 -2.595 12.443 3.200 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.578 13.255 3.739 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.789 13.021 2.738 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.761 14.651 3.814 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.973 14.414 2.812 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.959 15.231 3.349 1.00 0.27 C ATOM 0 H PHE A 41 -0.583 10.468 4.870 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.554 10.777 4.936 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.393 10.717 2.791 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.084 10.528 2.372 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.660 12.809 4.094 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.567 12.395 2.325 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.983 15.276 4.228 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.892 14.857 2.457 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.099 16.300 3.404 1.00 0.27 H new ATOM 633 N PHE A 42 -2.042 8.165 3.604 1.00 0.10 N ATOM 634 CA PHE A 42 -2.206 6.707 3.369 1.00 0.11 C ATOM 635 C PHE A 42 -2.598 5.989 4.666 1.00 0.11 C ATOM 636 O PHE A 42 -3.561 5.248 4.705 1.00 0.12 O ATOM 637 CB PHE A 42 -0.885 6.151 2.835 1.00 0.13 C ATOM 638 CG PHE A 42 -1.013 4.672 2.584 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.711 4.220 1.456 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.426 3.747 3.467 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.822 2.846 1.203 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.540 2.366 3.218 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.241 1.915 2.085 1.00 0.10 C ATOM 0 H PHE A 42 -1.215 8.579 3.173 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.002 6.541 2.643 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.612 6.663 1.912 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.086 6.339 3.552 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.164 4.931 0.781 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.112 4.096 4.336 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.355 2.500 0.329 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.090 1.655 3.895 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.333 0.856 1.892 1.00 0.10 H new ATOM 653 N HIS A 43 -1.869 6.196 5.728 1.00 0.14 N ATOM 654 CA HIS A 43 -2.217 5.514 7.012 1.00 0.16 C ATOM 655 C HIS A 43 -3.549 6.066 7.544 1.00 0.16 C ATOM 656 O HIS A 43 -4.331 5.349 8.137 1.00 0.18 O ATOM 657 CB HIS A 43 -1.078 5.732 8.034 1.00 0.21 C ATOM 658 CG HIS A 43 -1.599 5.649 9.445 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.516 4.493 10.203 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.244 6.571 10.230 1.00 0.31 C ATOM 661 CE1 HIS A 43 -2.101 4.745 11.389 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.563 5.999 11.456 1.00 0.39 N ATOM 0 H HIS A 43 -1.051 6.804 5.765 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.332 4.443 6.846 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.301 4.982 7.884 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.617 6.706 7.869 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.470 7.586 9.940 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.187 4.024 12.188 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -3.046 6.440 12.239 1.00 0.39 H new ATOM 670 N SER A 44 -3.808 7.329 7.353 1.00 0.20 N ATOM 671 CA SER A 44 -5.083 7.907 7.867 1.00 0.25 C ATOM 672 C SER A 44 -6.271 7.188 7.221 1.00 0.20 C ATOM 673 O SER A 44 -7.245 6.873 7.876 1.00 0.21 O ATOM 674 CB SER A 44 -5.133 9.404 7.539 1.00 0.34 C ATOM 675 OG SER A 44 -4.469 10.130 8.565 1.00 0.97 O ATOM 0 H SER A 44 -3.196 7.984 6.866 1.00 0.20 H new ATOM 0 HA SER A 44 -5.134 7.776 8.948 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.657 9.594 6.577 1.00 0.34 H new ATOM 0 HB3 SER A 44 -6.168 9.735 7.454 1.00 0.34 H new ATOM 0 HG SER A 44 -3.705 10.611 8.183 1.00 0.97 H new ATOM 681 N LEU A 45 -6.206 6.934 5.945 1.00 0.18 N ATOM 682 CA LEU A 45 -7.340 6.245 5.270 1.00 0.18 C ATOM 683 C LEU A 45 -7.686 4.963 6.030 1.00 0.16 C ATOM 684 O LEU A 45 -8.778 4.449 5.924 1.00 0.23 O ATOM 685 CB LEU A 45 -6.955 5.893 3.828 1.00 0.19 C ATOM 686 CG LEU A 45 -6.495 7.148 3.076 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.010 6.751 1.680 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.657 8.142 2.949 1.00 0.50 C ATOM 0 H LEU A 45 -5.419 7.173 5.341 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.204 6.909 5.259 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.158 5.149 3.829 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.807 5.446 3.316 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.683 7.620 3.630 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.682 7.641 1.142 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.177 6.053 1.769 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.825 6.276 1.133 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.320 9.030 2.414 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.476 7.676 2.400 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -8.002 8.427 3.943 1.00 0.50 H new ATOM 700 N SER A 46 -6.769 4.442 6.795 1.00 0.20 N ATOM 701 CA SER A 46 -7.061 3.196 7.557 1.00 0.25 C ATOM 702 C SER A 46 -8.282 3.417 8.454 1.00 0.17 C ATOM 703 O SER A 46 -9.045 2.507 8.713 1.00 0.15 O ATOM 704 CB SER A 46 -5.856 2.832 8.420 1.00 0.36 C ATOM 705 OG SER A 46 -4.674 2.907 7.633 1.00 0.51 O ATOM 0 H SER A 46 -5.832 4.823 6.926 1.00 0.20 H new ATOM 0 HA SER A 46 -7.266 2.385 6.858 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.784 3.511 9.270 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.974 1.827 8.824 1.00 0.36 H new ATOM 0 HG SER A 46 -4.182 3.724 7.859 1.00 0.51 H new ATOM 711 N GLU A 47 -8.470 4.616 8.940 1.00 0.21 N ATOM 712 CA GLU A 47 -9.639 4.894 9.831 1.00 0.21 C ATOM 713 C GLU A 47 -10.807 5.447 9.009 1.00 0.18 C ATOM 714 O GLU A 47 -11.944 5.418 9.436 1.00 0.18 O ATOM 715 CB GLU A 47 -9.235 5.918 10.893 1.00 0.32 C ATOM 716 CG GLU A 47 -7.915 5.494 11.539 1.00 0.39 C ATOM 717 CD GLU A 47 -8.065 4.094 12.135 1.00 1.24 C ATOM 718 OE1 GLU A 47 -9.053 3.861 12.811 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.186 3.277 11.910 1.00 2.00 O ATOM 0 H GLU A 47 -7.865 5.417 8.759 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.950 3.967 10.312 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.130 6.904 10.440 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.014 5.997 11.651 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.116 5.501 10.797 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.634 6.204 12.317 1.00 0.39 H new ATOM 726 N LYS A 48 -10.541 5.955 7.833 1.00 0.18 N ATOM 727 CA LYS A 48 -11.645 6.507 6.989 1.00 0.17 C ATOM 728 C LYS A 48 -12.182 5.400 6.079 1.00 0.15 C ATOM 729 O LYS A 48 -13.291 5.469 5.585 1.00 0.18 O ATOM 730 CB LYS A 48 -11.104 7.660 6.134 1.00 0.21 C ATOM 731 CG LYS A 48 -12.269 8.522 5.634 1.00 0.26 C ATOM 732 CD LYS A 48 -11.723 9.701 4.825 1.00 1.09 C ATOM 733 CE LYS A 48 -12.884 10.579 4.354 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.676 9.843 3.327 1.00 2.16 N ATOM 0 H LYS A 48 -9.610 6.012 7.421 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.448 6.877 7.627 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.414 8.268 6.720 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.541 7.265 5.288 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.939 7.923 5.017 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.854 8.887 6.478 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.035 10.286 5.435 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.158 9.336 3.967 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.520 10.844 5.199 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.503 11.511 3.937 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.298 10.509 2.825 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.030 9.393 2.647 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.253 9.113 3.791 1.00 2.16 H new ATOM 748 N TYR A 49 -11.397 4.376 5.860 1.00 0.13 N ATOM 749 CA TYR A 49 -11.835 3.241 4.988 1.00 0.13 C ATOM 750 C TYR A 49 -11.514 1.920 5.688 1.00 0.11 C ATOM 751 O TYR A 49 -10.666 1.166 5.253 1.00 0.11 O ATOM 752 CB TYR A 49 -11.092 3.311 3.645 1.00 0.15 C ATOM 753 CG TYR A 49 -11.764 4.327 2.751 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.998 4.016 2.148 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.167 5.581 2.526 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.634 4.958 1.320 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.804 6.524 1.699 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.037 6.214 1.095 1.00 0.21 C ATOM 759 OH TYR A 49 -13.664 7.141 0.285 1.00 0.24 O ATOM 0 H TYR A 49 -10.461 4.276 6.252 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.908 3.306 4.807 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.050 3.586 3.807 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.092 2.332 3.166 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.456 3.054 2.322 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.220 5.819 2.988 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.580 4.719 0.857 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.346 7.487 1.527 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.119 7.954 0.236 1.00 0.24 H new ATOM 769 N SER A 50 -12.188 1.636 6.766 1.00 0.12 N ATOM 770 CA SER A 50 -11.930 0.364 7.493 1.00 0.13 C ATOM 771 C SER A 50 -12.372 -0.813 6.622 1.00 0.13 C ATOM 772 O SER A 50 -12.200 -1.963 6.976 1.00 0.14 O ATOM 773 CB SER A 50 -12.719 0.359 8.803 1.00 0.16 C ATOM 774 OG SER A 50 -14.101 0.533 8.517 1.00 0.17 O ATOM 0 H SER A 50 -12.908 2.231 7.176 1.00 0.12 H new ATOM 0 HA SER A 50 -10.866 0.275 7.712 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.561 -0.580 9.333 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.367 1.157 9.456 1.00 0.16 H new ATOM 0 HG SER A 50 -14.611 0.529 9.354 1.00 0.17 H new ATOM 780 N ASN A 51 -12.946 -0.531 5.482 1.00 0.13 N ATOM 781 CA ASN A 51 -13.410 -1.622 4.575 1.00 0.15 C ATOM 782 C ASN A 51 -12.321 -1.926 3.544 1.00 0.13 C ATOM 783 O ASN A 51 -12.475 -2.791 2.703 1.00 0.14 O ATOM 784 CB ASN A 51 -14.677 -1.169 3.851 1.00 0.17 C ATOM 785 CG ASN A 51 -15.136 -2.262 2.884 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.960 -2.142 1.688 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.720 -3.330 3.354 1.00 0.32 N ATOM 0 H ASN A 51 -13.114 0.414 5.138 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.619 -2.518 5.159 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.464 -0.956 4.574 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.485 -0.245 3.306 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.029 -4.064 2.717 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.868 -3.430 4.358 1.00 0.32 H new ATOM 794 N VAL A 52 -11.221 -1.218 3.605 1.00 0.11 N ATOM 795 CA VAL A 52 -10.101 -1.446 2.638 1.00 0.10 C ATOM 796 C VAL A 52 -8.857 -1.890 3.406 1.00 0.10 C ATOM 797 O VAL A 52 -8.661 -1.529 4.550 1.00 0.11 O ATOM 798 CB VAL A 52 -9.796 -0.141 1.909 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.584 -0.335 1.000 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.009 0.258 1.071 1.00 0.12 C ATOM 0 H VAL A 52 -11.049 -0.483 4.291 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.386 -2.214 1.919 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.578 0.644 2.634 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.367 0.598 0.479 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.722 -0.625 1.600 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.798 -1.116 0.271 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.798 1.190 0.547 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.223 -0.526 0.345 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.872 0.395 1.722 1.00 0.12 H new ATOM 810 N ILE A 53 -8.019 -2.686 2.793 1.00 0.09 N ATOM 811 CA ILE A 53 -6.786 -3.176 3.486 1.00 0.09 C ATOM 812 C ILE A 53 -5.583 -2.342 3.019 1.00 0.09 C ATOM 813 O ILE A 53 -5.351 -2.181 1.836 1.00 0.14 O ATOM 814 CB ILE A 53 -6.562 -4.648 3.122 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.911 -5.409 3.125 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.543 -5.297 4.080 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.736 -5.170 4.409 1.00 0.17 C ATOM 0 H ILE A 53 -8.135 -3.020 1.836 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.899 -3.079 4.566 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.146 -4.704 2.116 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.498 -5.100 2.260 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.720 -6.477 3.016 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.398 -6.342 3.804 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.592 -4.769 4.012 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.917 -5.240 5.102 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.670 -5.730 4.351 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.166 -5.505 5.276 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.956 -4.107 4.508 1.00 0.17 H new ATOM 829 N PHE A 54 -4.817 -1.816 3.943 1.00 0.08 N ATOM 830 CA PHE A 54 -3.620 -0.987 3.578 1.00 0.08 C ATOM 831 C PHE A 54 -2.353 -1.707 4.035 1.00 0.08 C ATOM 832 O PHE A 54 -2.267 -2.175 5.152 1.00 0.11 O ATOM 833 CB PHE A 54 -3.712 0.366 4.284 1.00 0.08 C ATOM 834 CG PHE A 54 -4.922 1.105 3.771 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.901 1.668 2.484 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.070 1.226 4.576 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.030 2.357 1.998 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.199 1.914 4.091 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.179 2.479 2.802 1.00 0.09 C ATOM 0 H PHE A 54 -4.970 -1.925 4.946 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.590 -0.838 2.499 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.786 0.224 5.362 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.809 0.949 4.101 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.020 1.573 1.867 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.085 0.792 5.565 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.014 2.791 1.009 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.080 2.008 4.708 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.045 3.006 2.430 1.00 0.09 H new ATOM 849 N LEU A 55 -1.376 -1.815 3.170 1.00 0.08 N ATOM 850 CA LEU A 55 -0.103 -2.520 3.529 1.00 0.09 C ATOM 851 C LEU A 55 1.055 -1.516 3.497 1.00 0.09 C ATOM 852 O LEU A 55 0.892 -0.372 3.124 1.00 0.10 O ATOM 853 CB LEU A 55 0.163 -3.635 2.502 1.00 0.10 C ATOM 854 CG LEU A 55 -0.669 -4.889 2.822 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.169 -4.543 2.900 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.420 -5.928 1.718 1.00 0.12 C ATOM 0 H LEU A 55 -1.404 -1.442 2.221 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.188 -2.951 4.527 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.081 -3.278 1.501 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.223 -3.888 2.501 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.370 -5.291 3.790 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.739 -5.444 3.127 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.332 -3.803 3.684 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.499 -4.137 1.944 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.001 -6.826 1.926 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.722 -5.515 0.755 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.640 -6.181 1.688 1.00 0.12 H new ATOM 868 N GLU A 56 2.230 -1.945 3.879 1.00 0.09 N ATOM 869 CA GLU A 56 3.416 -1.036 3.868 1.00 0.09 C ATOM 870 C GLU A 56 4.648 -1.853 3.469 1.00 0.09 C ATOM 871 O GLU A 56 4.756 -3.016 3.799 1.00 0.10 O ATOM 872 CB GLU A 56 3.621 -0.436 5.265 1.00 0.09 C ATOM 873 CG GLU A 56 4.683 0.668 5.202 1.00 0.11 C ATOM 874 CD GLU A 56 4.688 1.456 6.516 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.637 1.949 6.893 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.744 1.558 7.119 1.00 1.31 O ATOM 0 H GLU A 56 2.421 -2.894 4.201 1.00 0.09 H new ATOM 0 HA GLU A 56 3.260 -0.224 3.157 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.681 -0.029 5.638 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.931 -1.213 5.963 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.666 0.231 5.025 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.477 1.337 4.366 1.00 0.11 H new ATOM 883 N VAL A 57 5.569 -1.264 2.743 1.00 0.08 N ATOM 884 CA VAL A 57 6.785 -2.023 2.305 1.00 0.08 C ATOM 885 C VAL A 57 8.027 -1.129 2.397 1.00 0.09 C ATOM 886 O VAL A 57 7.998 0.039 2.055 1.00 0.14 O ATOM 887 CB VAL A 57 6.591 -2.481 0.847 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.936 -2.908 0.244 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.627 -3.669 0.805 1.00 0.09 C ATOM 0 H VAL A 57 5.532 -0.292 2.435 1.00 0.08 H new ATOM 0 HA VAL A 57 6.924 -2.888 2.954 1.00 0.08 H new ATOM 0 HB VAL A 57 6.183 -1.651 0.270 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.787 -3.230 -0.787 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.628 -2.066 0.265 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.350 -3.732 0.825 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.491 -3.991 -0.227 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.037 -4.491 1.391 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.665 -3.372 1.222 1.00 0.09 H new ATOM 899 N ASP A 58 9.129 -1.696 2.829 1.00 0.09 N ATOM 900 CA ASP A 58 10.405 -0.926 2.918 1.00 0.09 C ATOM 901 C ASP A 58 11.241 -1.270 1.682 1.00 0.10 C ATOM 902 O ASP A 58 11.856 -2.315 1.609 1.00 0.11 O ATOM 903 CB ASP A 58 11.163 -1.331 4.190 1.00 0.11 C ATOM 904 CG ASP A 58 12.192 -0.255 4.544 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.805 0.729 5.153 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.349 -0.433 4.201 1.00 1.08 O ATOM 0 H ASP A 58 9.196 -2.669 3.126 1.00 0.09 H new ATOM 0 HA ASP A 58 10.208 0.145 2.959 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.463 -1.463 5.015 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.662 -2.288 4.038 1.00 0.11 H new ATOM 911 N VAL A 59 11.240 -0.416 0.701 1.00 0.12 N ATOM 912 CA VAL A 59 12.003 -0.705 -0.547 1.00 0.15 C ATOM 913 C VAL A 59 13.478 -0.976 -0.244 1.00 0.18 C ATOM 914 O VAL A 59 14.203 -1.443 -1.091 1.00 0.27 O ATOM 915 CB VAL A 59 11.897 0.495 -1.491 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.456 0.629 -1.984 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.301 1.771 -0.748 1.00 0.22 C ATOM 0 H VAL A 59 10.742 0.474 0.707 1.00 0.12 H new ATOM 0 HA VAL A 59 11.577 -1.594 -1.012 1.00 0.15 H new ATOM 0 HB VAL A 59 12.562 0.345 -2.342 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.379 1.483 -2.656 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.167 -0.278 -2.515 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.792 0.777 -1.132 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.225 2.624 -1.422 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.638 1.921 0.104 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.328 1.677 -0.396 1.00 0.22 H new ATOM 927 N ASP A 60 13.938 -0.680 0.943 1.00 0.16 N ATOM 928 CA ASP A 60 15.385 -0.904 1.269 1.00 0.18 C ATOM 929 C ASP A 60 15.577 -2.190 2.080 1.00 0.17 C ATOM 930 O ASP A 60 16.497 -2.947 1.842 1.00 0.18 O ATOM 931 CB ASP A 60 15.891 0.279 2.087 1.00 0.21 C ATOM 932 CG ASP A 60 15.771 1.561 1.260 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.652 1.806 0.454 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.800 2.275 1.449 1.00 1.11 O ATOM 0 H ASP A 60 13.378 -0.293 1.703 1.00 0.16 H new ATOM 0 HA ASP A 60 15.942 -0.999 0.337 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.314 0.372 3.007 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.929 0.117 2.377 1.00 0.21 H new ATOM 939 N ASP A 61 14.735 -2.440 3.045 1.00 0.17 N ATOM 940 CA ASP A 61 14.892 -3.675 3.877 1.00 0.17 C ATOM 941 C ASP A 61 14.043 -4.806 3.283 1.00 0.16 C ATOM 942 O ASP A 61 14.168 -5.950 3.670 1.00 0.18 O ATOM 943 CB ASP A 61 14.457 -3.359 5.320 1.00 0.19 C ATOM 944 CG ASP A 61 14.111 -4.649 6.076 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.031 -5.335 6.491 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.932 -4.931 6.220 1.00 1.12 O ATOM 0 H ASP A 61 13.945 -1.846 3.296 1.00 0.17 H new ATOM 0 HA ASP A 61 15.933 -3.999 3.883 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.257 -2.831 5.839 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.592 -2.696 5.308 1.00 0.19 H new ATOM 951 N ALA A 62 13.192 -4.494 2.337 1.00 0.16 N ATOM 952 CA ALA A 62 12.336 -5.546 1.696 1.00 0.16 C ATOM 953 C ALA A 62 12.557 -5.497 0.186 1.00 0.16 C ATOM 954 O ALA A 62 11.624 -5.508 -0.593 1.00 0.15 O ATOM 955 CB ALA A 62 10.863 -5.267 2.009 1.00 0.17 C ATOM 0 H ALA A 62 13.051 -3.550 1.977 1.00 0.16 H new ATOM 0 HA ALA A 62 12.601 -6.531 2.080 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.241 -6.031 1.543 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.711 -5.283 3.088 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.587 -4.287 1.619 1.00 0.17 H new ATOM 961 N GLN A 63 13.793 -5.437 -0.229 1.00 0.20 N ATOM 962 CA GLN A 63 14.100 -5.380 -1.686 1.00 0.22 C ATOM 963 C GLN A 63 13.462 -6.574 -2.399 1.00 0.20 C ATOM 964 O GLN A 63 13.364 -6.603 -3.610 1.00 0.20 O ATOM 965 CB GLN A 63 15.616 -5.420 -1.887 1.00 0.29 C ATOM 966 CG GLN A 63 16.283 -4.419 -0.941 1.00 0.90 C ATOM 967 CD GLN A 63 17.740 -4.213 -1.361 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.036 -4.103 -2.534 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.669 -4.153 -0.446 1.00 2.22 N ATOM 0 H GLN A 63 14.609 -5.425 0.383 1.00 0.20 H new ATOM 0 HA GLN A 63 13.698 -4.456 -2.102 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.993 -6.425 -1.695 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.863 -5.179 -2.921 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.749 -3.469 -0.964 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.237 -4.785 0.085 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.421 -4.245 0.539 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.643 -4.014 -0.716 1.00 2.22 H new ATOM 978 N ASP A 64 13.032 -7.562 -1.664 1.00 0.19 N ATOM 979 CA ASP A 64 12.409 -8.748 -2.310 1.00 0.20 C ATOM 980 C ASP A 64 11.042 -8.363 -2.882 1.00 0.17 C ATOM 981 O ASP A 64 10.681 -8.766 -3.971 1.00 0.19 O ATOM 982 CB ASP A 64 12.242 -9.866 -1.276 1.00 0.22 C ATOM 983 CG ASP A 64 11.731 -9.282 0.044 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.458 -8.094 0.079 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.620 -10.036 0.996 1.00 1.09 O ATOM 0 H ASP A 64 13.085 -7.598 -0.646 1.00 0.19 H new ATOM 0 HA ASP A 64 13.050 -9.099 -3.119 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.543 -10.615 -1.647 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.195 -10.371 -1.116 1.00 0.22 H new ATOM 990 N VAL A 65 10.285 -7.580 -2.166 1.00 0.15 N ATOM 991 CA VAL A 65 8.953 -7.165 -2.681 1.00 0.16 C ATOM 992 C VAL A 65 9.156 -6.123 -3.783 1.00 0.16 C ATOM 993 O VAL A 65 8.564 -6.198 -4.841 1.00 0.19 O ATOM 994 CB VAL A 65 8.130 -6.562 -1.542 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.676 -6.395 -1.993 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.184 -7.494 -0.327 1.00 0.18 C ATOM 0 H VAL A 65 10.531 -7.210 -1.248 1.00 0.15 H new ATOM 0 HA VAL A 65 8.422 -8.028 -3.083 1.00 0.16 H new ATOM 0 HB VAL A 65 8.540 -5.588 -1.273 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.090 -5.965 -1.181 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.637 -5.733 -2.858 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.264 -7.368 -2.262 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.598 -7.066 0.486 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.774 -8.467 -0.597 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.219 -7.613 -0.005 1.00 0.18 H new ATOM 1006 N ALA A 66 10.000 -5.156 -3.543 1.00 0.16 N ATOM 1007 CA ALA A 66 10.258 -4.112 -4.576 1.00 0.18 C ATOM 1008 C ALA A 66 10.895 -4.763 -5.805 1.00 0.19 C ATOM 1009 O ALA A 66 10.692 -4.334 -6.923 1.00 0.20 O ATOM 1010 CB ALA A 66 11.213 -3.058 -4.010 1.00 0.22 C ATOM 0 H ALA A 66 10.523 -5.044 -2.674 1.00 0.16 H new ATOM 0 HA ALA A 66 9.318 -3.638 -4.857 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.402 -2.295 -4.765 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.765 -2.595 -3.131 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.154 -3.532 -3.731 1.00 0.22 H new ATOM 1016 N SER A 67 11.667 -5.797 -5.606 1.00 0.21 N ATOM 1017 CA SER A 67 12.320 -6.474 -6.761 1.00 0.26 C ATOM 1018 C SER A 67 11.249 -7.075 -7.674 1.00 0.26 C ATOM 1019 O SER A 67 11.231 -6.837 -8.866 1.00 0.29 O ATOM 1020 CB SER A 67 13.240 -7.583 -6.249 1.00 0.31 C ATOM 1021 OG SER A 67 14.421 -7.003 -5.712 1.00 1.29 O ATOM 0 H SER A 67 11.873 -6.202 -4.693 1.00 0.21 H new ATOM 0 HA SER A 67 12.907 -5.748 -7.323 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.730 -8.171 -5.486 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.493 -8.265 -7.061 1.00 0.31 H new ATOM 0 HG SER A 67 14.210 -6.556 -4.866 1.00 1.29 H new ATOM 1027 N GLU A 68 10.354 -7.852 -7.126 1.00 0.26 N ATOM 1028 CA GLU A 68 9.284 -8.464 -7.961 1.00 0.30 C ATOM 1029 C GLU A 68 8.417 -7.355 -8.562 1.00 0.31 C ATOM 1030 O GLU A 68 7.932 -7.465 -9.671 1.00 0.36 O ATOM 1031 CB GLU A 68 8.419 -9.377 -7.086 1.00 0.31 C ATOM 1032 CG GLU A 68 7.602 -10.327 -7.968 1.00 0.39 C ATOM 1033 CD GLU A 68 6.549 -9.531 -8.743 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.667 -8.977 -8.107 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.639 -9.493 -9.958 1.00 2.20 O ATOM 0 H GLU A 68 10.319 -8.089 -6.135 1.00 0.26 H new ATOM 0 HA GLU A 68 9.732 -9.050 -8.764 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.051 -9.950 -6.408 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.751 -8.776 -6.468 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.260 -10.851 -8.662 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.119 -11.086 -7.352 1.00 0.39 H new ATOM 1042 N ALA A 69 8.222 -6.283 -7.839 1.00 0.29 N ATOM 1043 CA ALA A 69 7.387 -5.163 -8.368 1.00 0.31 C ATOM 1044 C ALA A 69 8.267 -4.210 -9.186 1.00 0.29 C ATOM 1045 O ALA A 69 7.796 -3.231 -9.730 1.00 0.33 O ATOM 1046 CB ALA A 69 6.757 -4.406 -7.192 1.00 0.31 C ATOM 0 H ALA A 69 8.605 -6.134 -6.905 1.00 0.29 H new ATOM 0 HA ALA A 69 6.600 -5.561 -9.008 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.146 -3.587 -7.572 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.132 -5.087 -6.614 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.544 -4.005 -6.553 1.00 0.31 H new ATOM 1052 N GLU A 70 9.538 -4.493 -9.281 1.00 0.27 N ATOM 1053 CA GLU A 70 10.450 -3.607 -10.066 1.00 0.29 C ATOM 1054 C GLU A 70 10.168 -2.139 -9.730 1.00 0.25 C ATOM 1055 O GLU A 70 9.988 -1.314 -10.604 1.00 0.26 O ATOM 1056 CB GLU A 70 10.222 -3.839 -11.561 1.00 0.38 C ATOM 1057 CG GLU A 70 10.805 -5.197 -11.962 1.00 1.18 C ATOM 1058 CD GLU A 70 10.416 -5.516 -13.407 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.320 -5.153 -13.799 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.222 -6.120 -14.097 1.00 2.06 O ATOM 0 H GLU A 70 9.986 -5.301 -8.849 1.00 0.27 H new ATOM 0 HA GLU A 70 11.484 -3.841 -9.811 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.156 -3.808 -11.786 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.693 -3.044 -12.139 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.890 -5.182 -11.862 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.434 -5.975 -11.295 1.00 1.18 H new ATOM 1067 N VAL A 71 10.136 -1.806 -8.468 1.00 0.22 N ATOM 1068 CA VAL A 71 9.870 -0.394 -8.072 1.00 0.19 C ATOM 1069 C VAL A 71 11.151 0.432 -8.236 1.00 0.23 C ATOM 1070 O VAL A 71 12.205 0.055 -7.763 1.00 0.28 O ATOM 1071 CB VAL A 71 9.423 -0.348 -6.612 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.928 1.058 -6.287 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.283 -1.349 -6.395 1.00 0.19 C ATOM 0 H VAL A 71 10.283 -2.453 -7.693 1.00 0.22 H new ATOM 0 HA VAL A 71 9.085 0.018 -8.706 1.00 0.19 H new ATOM 0 HB VAL A 71 10.260 -0.605 -5.963 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.607 1.099 -5.246 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.735 1.774 -6.447 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.088 1.307 -6.936 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.964 -1.317 -5.353 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.444 -1.090 -7.040 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.630 -2.354 -6.637 1.00 0.19 H new ATOM 1083 N LYS A 72 11.063 1.558 -8.904 1.00 0.24 N ATOM 1084 CA LYS A 72 12.269 2.426 -9.112 1.00 0.29 C ATOM 1085 C LYS A 72 11.936 3.868 -8.716 1.00 0.26 C ATOM 1086 O LYS A 72 12.704 4.778 -8.948 1.00 0.27 O ATOM 1087 CB LYS A 72 12.670 2.388 -10.588 1.00 0.35 C ATOM 1088 CG LYS A 72 13.170 0.987 -10.947 1.00 0.43 C ATOM 1089 CD LYS A 72 13.443 0.911 -12.451 1.00 1.16 C ATOM 1090 CE LYS A 72 13.883 -0.507 -12.820 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.112 -0.861 -12.054 1.00 2.40 N ATOM 0 H LYS A 72 10.202 1.916 -9.317 1.00 0.24 H new ATOM 0 HA LYS A 72 13.091 2.060 -8.497 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.818 2.653 -11.214 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.450 3.125 -10.783 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.079 0.760 -10.390 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.428 0.241 -10.663 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.546 1.181 -13.008 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.217 1.627 -12.727 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.086 -1.216 -12.597 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.077 -0.572 -13.891 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.592 -1.659 -12.517 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.752 -0.042 -12.026 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.851 -1.129 -11.084 1.00 2.40 H new ATOM 1105 N ALA A 73 10.793 4.079 -8.120 1.00 0.22 N ATOM 1106 CA ALA A 73 10.401 5.463 -7.703 1.00 0.20 C ATOM 1107 C ALA A 73 9.468 5.354 -6.495 1.00 0.18 C ATOM 1108 O ALA A 73 8.552 4.567 -6.508 1.00 0.16 O ATOM 1109 CB ALA A 73 9.676 6.159 -8.880 1.00 0.21 C ATOM 0 H ALA A 73 10.110 3.353 -7.902 1.00 0.22 H new ATOM 0 HA ALA A 73 11.279 6.050 -7.435 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.387 7.168 -8.584 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.344 6.210 -9.740 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.785 5.590 -9.146 1.00 0.21 H new ATOM 1115 N THR A 74 9.680 6.138 -5.457 1.00 0.18 N ATOM 1116 CA THR A 74 8.773 6.067 -4.255 1.00 0.17 C ATOM 1117 C THR A 74 8.123 7.447 -4.036 1.00 0.17 C ATOM 1118 O THR A 74 8.740 8.449 -4.337 1.00 0.19 O ATOM 1119 CB THR A 74 9.589 5.706 -2.996 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.688 6.591 -2.882 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.123 4.263 -3.067 1.00 0.19 C ATOM 0 H THR A 74 10.436 6.820 -5.389 1.00 0.18 H new ATOM 0 HA THR A 74 8.012 5.306 -4.427 1.00 0.17 H new ATOM 0 HB THR A 74 8.931 5.792 -2.131 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.208 6.366 -2.082 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.693 4.041 -2.165 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.286 3.569 -3.147 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.768 4.156 -3.939 1.00 0.19 H new ATOM 1129 N PRO A 75 6.919 7.486 -3.488 1.00 0.17 N ATOM 1130 CA PRO A 75 6.122 6.296 -3.099 1.00 0.16 C ATOM 1131 C PRO A 75 5.475 5.654 -4.334 1.00 0.14 C ATOM 1132 O PRO A 75 5.090 6.331 -5.270 1.00 0.14 O ATOM 1133 CB PRO A 75 5.033 6.857 -2.153 1.00 0.17 C ATOM 1134 CG PRO A 75 5.049 8.405 -2.303 1.00 0.20 C ATOM 1135 CD PRO A 75 6.272 8.771 -3.176 1.00 0.19 C ATOM 0 HA PRO A 75 6.730 5.524 -2.628 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.054 6.455 -2.412 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.233 6.568 -1.121 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.127 8.755 -2.767 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.117 8.885 -1.327 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.967 9.289 -4.085 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.952 9.436 -2.643 1.00 0.19 H new ATOM 1143 N THR A 76 5.325 4.352 -4.318 1.00 0.13 N ATOM 1144 CA THR A 76 4.665 3.639 -5.458 1.00 0.12 C ATOM 1145 C THR A 76 3.412 2.982 -4.915 1.00 0.12 C ATOM 1146 O THR A 76 3.482 2.113 -4.070 1.00 0.18 O ATOM 1147 CB THR A 76 5.589 2.549 -6.031 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.905 3.046 -6.113 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.113 2.130 -7.422 1.00 0.13 C ATOM 0 H THR A 76 5.634 3.747 -3.557 1.00 0.13 H new ATOM 0 HA THR A 76 4.437 4.348 -6.254 1.00 0.12 H new ATOM 0 HB THR A 76 5.564 1.680 -5.373 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.882 3.991 -6.372 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.775 1.359 -7.816 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.098 1.738 -7.357 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.126 2.994 -8.087 1.00 0.13 H new ATOM 1157 N PHE A 77 2.268 3.379 -5.380 1.00 0.09 N ATOM 1158 CA PHE A 77 1.018 2.753 -4.871 1.00 0.09 C ATOM 1159 C PHE A 77 0.645 1.602 -5.785 1.00 0.09 C ATOM 1160 O PHE A 77 0.461 1.770 -6.974 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.113 3.776 -4.844 1.00 0.10 C ATOM 1162 CG PHE A 77 0.163 4.778 -3.755 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.086 4.435 -2.413 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.668 6.050 -4.079 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.172 5.370 -1.391 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.927 6.985 -3.060 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.679 6.648 -1.716 1.00 0.12 C ATOM 0 H PHE A 77 2.141 4.104 -6.086 1.00 0.09 H new ATOM 0 HA PHE A 77 1.179 2.389 -3.856 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.190 4.279 -5.808 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.067 3.279 -4.666 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.474 3.458 -2.167 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.857 6.309 -5.110 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.018 5.110 -0.360 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.316 7.961 -3.309 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.876 7.366 -0.934 1.00 0.12 H new ATOM 1177 N GLN A 78 0.540 0.431 -5.228 1.00 0.07 N ATOM 1178 CA GLN A 78 0.185 -0.772 -6.027 1.00 0.07 C ATOM 1179 C GLN A 78 -1.118 -1.329 -5.472 1.00 0.06 C ATOM 1180 O GLN A 78 -1.322 -1.371 -4.275 1.00 0.07 O ATOM 1181 CB GLN A 78 1.304 -1.806 -5.882 1.00 0.08 C ATOM 1182 CG GLN A 78 2.644 -1.167 -6.253 1.00 0.12 C ATOM 1183 CD GLN A 78 3.671 -2.262 -6.552 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.749 -2.268 -5.992 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.381 -3.195 -7.417 1.00 1.03 N ATOM 0 H GLN A 78 0.688 0.253 -4.235 1.00 0.07 H new ATOM 0 HA GLN A 78 0.065 -0.526 -7.082 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.338 -2.179 -4.858 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.107 -2.663 -6.527 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.522 -0.522 -7.123 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.996 -0.537 -5.436 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.476 -3.191 -7.888 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.059 -3.929 -7.622 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.013 -1.721 -6.335 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.336 -2.243 -5.877 1.00 0.07 C ATOM 1196 C PHE A 79 -3.446 -3.730 -6.187 1.00 0.07 C ATOM 1197 O PHE A 79 -3.224 -4.163 -7.300 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.439 -1.474 -6.607 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.381 -0.030 -6.184 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.322 0.774 -6.619 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.365 0.505 -5.341 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.240 2.119 -6.218 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.289 1.846 -4.929 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.226 2.656 -5.368 1.00 0.11 C ATOM 0 H PHE A 79 -1.886 -1.703 -7.347 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.437 -2.107 -4.800 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.307 -1.557 -7.686 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.415 -1.898 -6.371 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.563 0.359 -7.266 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.184 -0.115 -5.007 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.424 2.738 -6.561 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.046 2.255 -4.276 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.166 3.688 -5.054 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.795 -4.513 -5.199 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.936 -5.985 -5.398 1.00 0.08 C ATOM 1216 C PHE A 80 -5.311 -6.419 -4.905 1.00 0.11 C ATOM 1217 O PHE A 80 -5.951 -5.738 -4.127 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.860 -6.719 -4.594 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.505 -6.505 -5.229 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.065 -7.360 -6.258 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.677 -5.454 -4.788 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.203 -7.164 -6.842 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.586 -5.260 -5.372 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.027 -6.113 -6.399 1.00 0.14 C ATOM 0 H PHE A 80 -3.990 -4.190 -4.251 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.823 -6.224 -6.455 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.851 -6.356 -3.566 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.088 -7.784 -4.553 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.699 -8.165 -6.599 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.014 -4.797 -4.000 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.542 -7.821 -7.630 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.219 -4.454 -5.031 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.998 -5.962 -6.848 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.767 -7.550 -5.351 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.097 -8.049 -4.918 1.00 0.14 C ATOM 1236 C LYS A 81 -7.094 -9.569 -5.064 1.00 0.14 C ATOM 1237 O LYS A 81 -6.838 -10.091 -6.130 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.186 -7.423 -5.806 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.550 -7.480 -5.108 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.544 -6.606 -5.875 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.882 -6.578 -5.135 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.604 -7.863 -5.366 1.00 1.48 N ATOM 0 H LYS A 81 -5.271 -8.157 -6.004 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.301 -7.778 -3.882 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.929 -6.388 -6.030 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.236 -7.952 -6.757 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.908 -8.509 -5.067 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.460 -7.132 -4.079 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.152 -5.594 -5.975 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.683 -6.995 -6.883 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.717 -6.428 -4.068 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.486 -5.741 -5.485 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.549 -7.813 -4.934 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.699 -8.029 -6.388 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.068 -8.644 -4.937 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.354 -10.275 -3.998 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.351 -11.765 -4.058 1.00 0.20 C ATOM 1258 C LYS A 82 -5.992 -12.275 -4.555 1.00 0.20 C ATOM 1259 O LYS A 82 -5.886 -13.368 -5.076 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.465 -12.250 -5.001 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.808 -12.232 -4.265 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.931 -12.644 -5.224 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.101 -11.596 -6.339 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.521 -11.584 -6.788 1.00 1.67 N ATOM 0 H LYS A 82 -7.570 -9.881 -3.082 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.529 -12.157 -3.057 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.513 -11.610 -5.882 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.245 -13.258 -5.351 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.776 -12.912 -3.414 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.003 -11.235 -3.869 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.704 -13.616 -5.662 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.866 -12.753 -4.674 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.814 -10.610 -5.974 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.444 -11.829 -7.177 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.641 -10.877 -7.542 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.778 -12.524 -7.151 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.137 -11.342 -5.986 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.951 -11.507 -4.384 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.601 -11.965 -4.832 1.00 0.21 C ATOM 1280 C GLY A 83 -3.362 -11.570 -6.291 1.00 0.19 C ATOM 1281 O GLY A 83 -2.359 -11.931 -6.876 1.00 0.22 O ATOM 0 H GLY A 83 -4.975 -10.582 -3.954 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.831 -11.524 -4.198 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.522 -13.047 -4.724 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.272 -10.835 -6.887 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.094 -10.416 -8.320 1.00 0.17 C ATOM 1287 C GLN A 84 -3.907 -8.897 -8.409 1.00 0.16 C ATOM 1288 O GLN A 84 -4.479 -8.145 -7.645 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.334 -10.811 -9.117 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.620 -12.297 -8.902 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.869 -12.697 -9.687 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.928 -13.773 -10.250 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.878 -11.872 -9.749 1.00 2.08 N ATOM 0 H GLN A 84 -5.131 -10.506 -6.445 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.212 -10.910 -8.727 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.189 -10.215 -8.800 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.179 -10.608 -10.177 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.767 -12.893 -9.227 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.764 -12.500 -7.841 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.828 -10.969 -9.277 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.716 -12.130 -10.270 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.113 -8.444 -9.348 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.883 -6.977 -9.504 1.00 0.17 C ATOM 1304 C LYS A 85 -3.983 -6.382 -10.385 1.00 0.16 C ATOM 1305 O LYS A 85 -4.459 -7.015 -11.306 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.521 -6.732 -10.161 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.296 -5.224 -10.322 1.00 0.25 C ATOM 1308 CD LYS A 85 0.188 -4.942 -10.571 1.00 0.30 C ATOM 1309 CE LYS A 85 0.615 -5.565 -11.902 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.931 -4.998 -12.317 1.00 1.70 N ATOM 0 H LYS A 85 -2.613 -9.031 -10.015 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.900 -6.504 -8.522 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.728 -7.166 -9.552 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.481 -7.223 -11.134 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.891 -4.845 -11.153 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.629 -4.700 -9.426 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.366 -3.867 -10.588 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.787 -5.351 -9.758 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.689 -6.648 -11.802 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.136 -5.366 -12.666 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.222 -5.421 -13.222 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.845 -3.968 -12.428 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.645 -5.210 -11.591 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.392 -5.167 -10.104 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.468 -4.513 -10.917 1.00 0.16 C ATOM 1326 C VAL A 86 -4.981 -3.149 -11.420 1.00 0.18 C ATOM 1327 O VAL A 86 -5.563 -2.572 -12.318 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.716 -4.325 -10.047 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.423 -5.667 -9.873 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.309 -3.790 -8.675 1.00 0.17 C ATOM 0 H VAL A 86 -4.025 -4.597 -9.342 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.710 -5.143 -11.773 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.388 -3.616 -10.531 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.310 -5.533 -9.254 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.716 -6.053 -10.849 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.748 -6.374 -9.391 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.198 -3.657 -8.058 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.636 -4.499 -8.193 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.803 -2.832 -8.794 1.00 0.17 H new ATOM 1340 N GLY A 87 -3.920 -2.628 -10.859 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.412 -1.302 -11.329 1.00 0.18 C ATOM 1342 C GLY A 87 -2.344 -0.764 -10.371 1.00 0.10 C ATOM 1343 O GLY A 87 -1.996 -1.392 -9.391 1.00 0.08 O ATOM 0 H GLY A 87 -3.387 -3.058 -10.103 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -2.993 -1.401 -12.331 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.237 -0.593 -11.397 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.823 0.405 -10.655 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.780 0.998 -9.772 1.00 0.10 C ATOM 1349 C GLU A 88 -0.462 2.422 -10.221 1.00 0.10 C ATOM 1350 O GLU A 88 -0.730 2.809 -11.343 1.00 0.11 O ATOM 1351 CB GLU A 88 0.498 0.153 -9.829 1.00 0.17 C ATOM 1352 CG GLU A 88 1.021 0.056 -11.270 1.00 0.25 C ATOM 1353 CD GLU A 88 0.050 -0.764 -12.120 1.00 1.25 C ATOM 1354 OE1 GLU A 88 0.095 -1.980 -12.029 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -0.721 -0.163 -12.850 1.00 1.94 O ATOM 0 H GLU A 88 -2.078 0.973 -11.463 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.158 1.016 -8.750 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.261 0.595 -9.189 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.297 -0.846 -9.442 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.135 1.054 -11.693 1.00 0.25 H new ATOM 0 HG3 GLU A 88 2.007 -0.408 -11.278 1.00 0.25 H new ATOM 1362 N PHE A 89 0.130 3.200 -9.359 1.00 0.09 N ATOM 1363 CA PHE A 89 0.492 4.592 -9.746 1.00 0.09 C ATOM 1364 C PHE A 89 1.406 5.215 -8.687 1.00 0.09 C ATOM 1365 O PHE A 89 1.141 5.154 -7.503 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.779 5.445 -9.945 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.342 5.931 -8.622 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.699 6.964 -7.907 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.524 5.359 -8.113 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.234 7.415 -6.688 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.058 5.815 -6.894 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.414 6.842 -6.181 1.00 0.11 C ATOM 0 H PHE A 89 0.378 2.934 -8.406 1.00 0.09 H new ATOM 0 HA PHE A 89 1.032 4.563 -10.692 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.547 6.301 -10.578 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.534 4.857 -10.468 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.205 7.408 -8.297 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.021 4.570 -8.659 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.738 8.203 -6.140 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -3.965 5.375 -6.505 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.825 7.190 -5.245 1.00 0.11 H new ATOM 1382 N SER A 90 2.482 5.829 -9.111 1.00 0.13 N ATOM 1383 CA SER A 90 3.426 6.483 -8.147 1.00 0.14 C ATOM 1384 C SER A 90 3.224 7.999 -8.212 1.00 0.14 C ATOM 1385 O SER A 90 2.295 8.484 -8.825 1.00 0.17 O ATOM 1386 CB SER A 90 4.863 6.150 -8.546 1.00 0.15 C ATOM 1387 OG SER A 90 5.276 7.022 -9.592 1.00 0.16 O ATOM 0 H SER A 90 2.751 5.907 -10.092 1.00 0.13 H new ATOM 0 HA SER A 90 3.235 6.124 -7.136 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.525 6.256 -7.686 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.930 5.113 -8.874 1.00 0.15 H new ATOM 0 HG SER A 90 6.225 7.240 -9.481 1.00 0.16 H new ATOM 1393 N GLY A 91 4.090 8.753 -7.592 1.00 0.12 N ATOM 1394 CA GLY A 91 3.952 10.242 -7.625 1.00 0.13 C ATOM 1395 C GLY A 91 3.179 10.711 -6.393 1.00 0.13 C ATOM 1396 O GLY A 91 2.057 10.304 -6.161 1.00 0.13 O ATOM 0 H GLY A 91 4.889 8.404 -7.063 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.937 10.708 -7.649 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.432 10.549 -8.532 1.00 0.13 H new ATOM 1400 N ALA A 92 3.770 11.555 -5.596 1.00 0.15 N ATOM 1401 CA ALA A 92 3.064 12.033 -4.372 1.00 0.17 C ATOM 1402 C ALA A 92 1.665 12.557 -4.730 1.00 0.15 C ATOM 1403 O ALA A 92 1.485 13.723 -5.020 1.00 0.16 O ATOM 1404 CB ALA A 92 3.884 13.156 -3.712 1.00 0.20 C ATOM 0 H ALA A 92 4.707 11.934 -5.736 1.00 0.15 H new ATOM 0 HA ALA A 92 2.958 11.199 -3.678 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.368 13.506 -2.818 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.868 12.775 -3.438 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.997 13.984 -4.412 1.00 0.20 H new ATOM 1410 N ASN A 93 0.673 11.707 -4.684 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.722 12.151 -4.989 1.00 0.13 C ATOM 1412 C ASN A 93 -1.668 11.459 -4.004 1.00 0.12 C ATOM 1413 O ASN A 93 -2.317 10.483 -4.324 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.085 11.770 -6.429 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.250 12.640 -6.911 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.251 12.763 -6.234 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.163 13.245 -8.061 1.00 1.15 N ATOM 0 H ASN A 93 0.768 10.719 -4.447 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.807 13.233 -4.889 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.222 11.906 -7.081 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.359 10.716 -6.479 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.935 13.822 -8.393 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.322 13.142 -8.629 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.724 11.954 -2.799 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.596 11.336 -1.759 1.00 0.20 C ATOM 1426 C LYS A 94 -4.068 11.443 -2.158 1.00 0.18 C ATOM 1427 O LYS A 94 -4.860 10.569 -1.869 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.377 12.049 -0.415 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.338 13.587 -0.614 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.881 14.082 -0.728 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.295 14.325 0.666 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.147 14.681 0.540 1.00 1.19 N ATOM 0 H LYS A 94 -1.197 12.769 -2.486 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.334 10.282 -1.666 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.177 11.786 0.277 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.443 11.711 0.034 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.891 13.857 -1.514 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.831 14.080 0.224 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.279 13.345 -1.260 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.846 15.003 -1.311 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.837 15.128 1.166 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.408 13.432 1.281 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.656 14.376 1.394 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.551 14.205 -0.292 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.242 15.711 0.429 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.453 12.504 -2.807 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.879 12.645 -3.203 1.00 0.20 C ATOM 1448 C GLU A 95 -6.226 11.562 -4.228 1.00 0.17 C ATOM 1449 O GLU A 95 -7.363 11.150 -4.353 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.101 14.026 -3.818 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.913 15.098 -2.744 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.368 16.452 -3.289 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.547 16.591 -3.568 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.529 17.329 -3.419 1.00 1.86 O ATOM 0 H GLU A 95 -3.845 13.276 -3.079 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.518 12.535 -2.327 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.399 14.189 -4.636 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.104 14.091 -4.240 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.487 14.841 -1.854 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.866 15.148 -2.444 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.249 11.093 -4.954 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.503 10.030 -5.967 1.00 0.14 C ATOM 1463 C LYS A 96 -5.883 8.738 -5.251 1.00 0.12 C ATOM 1464 O LYS A 96 -6.700 7.975 -5.720 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.237 9.804 -6.796 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.519 8.789 -7.910 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.368 8.791 -8.947 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.686 9.747 -10.107 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.218 11.030 -9.574 1.00 2.05 N ATOM 0 H LYS A 96 -4.279 11.403 -4.889 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.316 10.335 -6.626 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.901 10.747 -7.227 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.432 9.441 -6.156 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.630 7.792 -7.483 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.461 9.032 -8.402 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.438 9.092 -8.465 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.216 7.782 -9.331 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -2.787 9.932 -10.694 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.415 9.291 -10.776 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.272 11.729 -10.342 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.168 10.875 -9.180 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.587 11.384 -8.827 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.297 8.486 -4.111 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.635 7.240 -3.366 1.00 0.11 C ATOM 1485 C LEU A 97 -7.154 7.154 -3.214 1.00 0.11 C ATOM 1486 O LEU A 97 -7.738 6.091 -3.280 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.002 7.284 -1.969 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.501 6.974 -2.045 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.878 7.264 -0.673 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.276 5.486 -2.449 1.00 0.13 C ATOM 0 H LEU A 97 -4.603 9.086 -3.666 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.256 6.376 -3.911 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.153 8.269 -1.526 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.495 6.562 -1.318 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.027 7.598 -2.803 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.810 7.050 -0.706 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.030 8.313 -0.419 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.351 6.636 0.082 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.207 5.280 -2.499 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.737 4.834 -1.707 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.727 5.302 -3.424 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.791 8.270 -2.996 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.274 8.261 -2.821 1.00 0.14 C ATOM 1504 C GLU A 98 -9.951 7.851 -4.132 1.00 0.13 C ATOM 1505 O GLU A 98 -10.703 6.899 -4.183 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.746 9.662 -2.422 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.180 9.590 -1.890 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.593 10.959 -1.348 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.529 11.916 -2.101 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.964 11.028 -0.188 1.00 2.15 O ATOM 0 H GLU A 98 -7.352 9.188 -2.931 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.539 7.547 -2.042 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.085 10.076 -1.660 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.700 10.331 -3.282 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.859 9.282 -2.685 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.250 8.839 -1.103 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.699 8.571 -5.189 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.333 8.239 -6.495 1.00 0.14 C ATOM 1519 C ALA A 99 -9.958 6.817 -6.927 1.00 0.12 C ATOM 1520 O ALA A 99 -10.771 6.097 -7.463 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.853 9.228 -7.556 1.00 0.15 C ATOM 0 H ALA A 99 -9.078 9.380 -5.204 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.416 8.302 -6.386 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.315 8.988 -8.513 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.132 10.240 -7.263 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.769 9.163 -7.650 1.00 0.15 H new ATOM 1527 N THR A 100 -8.734 6.412 -6.716 1.00 0.11 N ATOM 1528 CA THR A 100 -8.314 5.042 -7.138 1.00 0.11 C ATOM 1529 C THR A 100 -9.027 3.984 -6.292 1.00 0.10 C ATOM 1530 O THR A 100 -9.525 3.000 -6.802 1.00 0.11 O ATOM 1531 CB THR A 100 -6.802 4.899 -6.964 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.161 6.052 -7.487 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.315 3.657 -7.713 1.00 0.12 C ATOM 0 H THR A 100 -8.006 6.970 -6.270 1.00 0.11 H new ATOM 0 HA THR A 100 -8.581 4.896 -8.185 1.00 0.11 H new ATOM 0 HB THR A 100 -6.563 4.796 -5.905 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.234 6.787 -6.843 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.237 3.556 -7.588 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.811 2.773 -7.312 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.550 3.756 -8.773 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.078 4.176 -5.004 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.759 3.176 -4.126 1.00 0.11 C ATOM 1543 C ILE A 101 -11.239 3.093 -4.506 1.00 0.13 C ATOM 1544 O ILE A 101 -11.766 2.026 -4.746 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.611 3.608 -2.654 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.154 3.376 -2.210 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.560 2.780 -1.771 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.831 4.189 -0.946 1.00 0.18 C ATOM 0 H ILE A 101 -8.679 4.980 -4.519 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.303 2.195 -4.257 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.864 4.663 -2.553 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.993 2.315 -2.016 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.475 3.660 -3.014 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.452 3.089 -0.731 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.589 2.941 -2.092 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.313 1.722 -1.863 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.797 4.009 -0.652 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.970 5.251 -1.151 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.496 3.885 -0.138 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.916 4.205 -4.550 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.365 4.183 -4.900 1.00 0.17 C ATOM 1562 C ASN A 102 -13.548 3.593 -6.301 1.00 0.18 C ATOM 1563 O ASN A 102 -14.630 3.189 -6.680 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.911 5.614 -4.870 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.439 5.577 -4.793 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.105 5.383 -5.791 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.026 5.754 -3.642 1.00 1.03 N ATOM 0 H ASN A 102 -11.530 5.129 -4.359 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.906 3.569 -4.180 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.506 6.151 -4.012 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.594 6.154 -5.762 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.044 5.730 -3.579 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.467 5.917 -2.804 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.502 3.553 -7.075 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.611 3.003 -8.457 1.00 0.18 C ATOM 1576 C GLU A 103 -12.680 1.473 -8.421 1.00 0.19 C ATOM 1577 O GLU A 103 -13.614 0.870 -8.909 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.377 3.426 -9.261 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.663 3.290 -10.757 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.460 3.798 -11.555 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.082 4.941 -11.356 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -9.937 3.035 -12.350 1.00 2.01 O ATOM 0 H GLU A 103 -11.572 3.878 -6.811 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.519 3.389 -8.921 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.113 4.457 -9.024 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.523 2.807 -8.987 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.864 2.248 -11.006 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.554 3.859 -11.021 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.673 0.842 -7.877 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.644 -0.652 -7.840 1.00 0.19 C ATOM 1591 C LEU A 104 -12.224 -1.176 -6.518 1.00 0.19 C ATOM 1592 O LEU A 104 -11.999 -2.311 -6.145 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.189 -1.112 -7.990 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.600 -0.553 -9.295 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.077 -0.682 -9.259 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.150 -1.324 -10.504 1.00 0.35 C ATOM 0 H LEU A 104 -10.865 1.299 -7.454 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.252 -1.047 -8.654 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.600 -0.771 -7.139 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.141 -2.201 -7.995 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.881 0.496 -9.389 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.656 -0.286 -10.183 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.684 -0.120 -8.412 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.803 -1.732 -9.156 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.723 -0.916 -11.420 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.882 -2.377 -10.416 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.235 -1.227 -10.534 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.977 -0.374 -5.813 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.573 -0.853 -4.530 1.00 0.22 C ATOM 1610 C VAL A 105 -14.558 -1.986 -4.822 1.00 0.26 C ATOM 1611 O VAL A 105 -14.925 -2.143 -5.975 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.307 0.299 -3.841 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.416 0.821 -4.757 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.909 -0.198 -2.523 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.929 -2.680 -3.889 1.00 1.18 O ATOM 0 H VAL A 105 -13.205 0.587 -6.068 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.781 -1.217 -3.875 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.606 1.108 -3.634 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.938 1.642 -4.265 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.980 1.176 -5.691 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.121 0.017 -4.969 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.433 0.621 -2.030 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.611 -1.007 -2.726 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.113 -0.562 -1.874 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.340 1.726 6.835 1.00 0.00 N ATOM 1627 CA PHE B 1 22.385 1.946 5.362 1.00 0.00 C ATOM 1628 C PHE B 1 21.111 1.373 4.729 1.00 0.00 C ATOM 1629 O PHE B 1 20.933 0.175 4.643 1.00 0.00 O ATOM 1630 CB PHE B 1 23.630 1.253 4.776 1.00 0.00 C ATOM 1631 CG PHE B 1 23.456 1.053 3.284 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.470 2.162 2.419 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.252 -0.241 2.768 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.286 1.977 1.036 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.072 -0.427 1.385 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.086 0.683 0.519 1.00 0.00 C ATOM 0 H1 PHE B 1 23.202 2.113 7.270 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.507 2.205 7.232 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.280 0.707 7.032 1.00 0.00 H new ATOM 0 HA PHE B 1 22.443 3.013 5.147 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.517 1.856 4.970 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.785 0.291 5.265 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.622 3.155 2.816 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.234 -1.091 3.434 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.298 2.828 0.371 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.923 -1.420 0.988 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.943 0.542 -0.542 1.00 0.00 H new ATOM 1648 N ARG B 2 20.222 2.224 4.286 1.00 0.00 N ATOM 1649 CA ARG B 2 18.954 1.742 3.658 1.00 0.00 C ATOM 1650 C ARG B 2 18.606 2.652 2.473 1.00 0.00 C ATOM 1651 O ARG B 2 17.514 3.172 2.386 1.00 0.00 O ATOM 1652 CB ARG B 2 17.821 1.800 4.694 1.00 0.00 C ATOM 1653 CG ARG B 2 18.162 0.915 5.904 1.00 0.00 C ATOM 1654 CD ARG B 2 17.096 1.075 7.005 1.00 0.00 C ATOM 1655 NE ARG B 2 16.098 -0.021 6.889 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.276 -0.248 7.873 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.323 0.499 8.942 1.00 0.00 N ATOM 1658 NH2 ARG B 2 14.406 -1.215 7.788 1.00 0.00 N ATOM 0 H ARG B 2 20.320 3.238 4.332 1.00 0.00 H new ATOM 0 HA ARG B 2 19.079 0.716 3.312 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.668 2.829 5.019 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.887 1.466 4.242 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.220 -0.128 5.594 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.142 1.186 6.296 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.566 1.051 7.988 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.603 2.042 6.911 1.00 0.00 H new ATOM 0 HE ARG B 2 16.058 -0.591 6.044 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.002 1.258 9.005 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.681 0.324 9.715 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.369 -1.795 6.950 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.763 -1.392 8.560 1.00 0.00 H new ATOM 1672 N PHE B 3 19.530 2.853 1.562 1.00 0.00 N ATOM 1673 CA PHE B 3 19.256 3.741 0.382 1.00 0.00 C ATOM 1674 C PHE B 3 19.008 2.891 -0.865 1.00 0.00 C ATOM 1675 O PHE B 3 19.453 1.767 -0.963 1.00 0.00 O ATOM 1676 CB PHE B 3 20.466 4.647 0.134 1.00 0.00 C ATOM 1677 CG PHE B 3 20.483 5.767 1.145 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.883 5.515 2.470 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.103 7.065 0.760 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.904 6.562 3.410 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.122 8.113 1.698 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.524 7.862 3.023 1.00 0.00 C ATOM 0 H PHE B 3 20.463 2.441 1.583 1.00 0.00 H new ATOM 0 HA PHE B 3 18.374 4.346 0.591 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.386 4.067 0.205 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.424 5.057 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.174 4.518 2.766 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.796 7.258 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.211 6.369 4.427 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.828 9.109 1.402 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.541 8.666 3.743 1.00 0.00 H new ATOM 1692 N ARG B 4 18.309 3.433 -1.828 1.00 0.00 N ATOM 1693 CA ARG B 4 18.042 2.671 -3.081 1.00 0.00 C ATOM 1694 C ARG B 4 17.896 3.663 -4.247 1.00 0.00 C ATOM 1695 O ARG B 4 18.881 4.155 -4.764 1.00 0.00 O ATOM 1696 CB ARG B 4 16.758 1.827 -2.907 1.00 0.00 C ATOM 1697 CG ARG B 4 17.093 0.381 -2.467 1.00 0.00 C ATOM 1698 CD ARG B 4 16.011 -0.574 -2.967 1.00 0.00 C ATOM 1699 NE ARG B 4 16.195 -0.822 -4.423 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.591 -1.831 -4.989 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.819 -2.609 -4.283 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.749 -2.053 -6.265 1.00 0.00 N ATOM 0 H ARG B 4 17.912 4.372 -1.799 1.00 0.00 H new ATOM 0 HA ARG B 4 18.869 1.994 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.110 2.295 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.204 1.805 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG B 4 18.064 0.086 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.164 0.329 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.061 -1.515 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.024 -0.150 -2.782 1.00 0.00 H new ATOM 0 HE ARG B 4 16.791 -0.206 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.687 -2.429 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.347 -3.397 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.344 -1.438 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.277 -2.841 -6.708 1.00 0.00 H new ATOM 1716 N TYR B 5 16.683 3.963 -4.667 1.00 0.00 N ATOM 1717 CA TYR B 5 16.488 4.923 -5.806 1.00 0.00 C ATOM 1718 C TYR B 5 15.894 6.247 -5.307 1.00 0.00 C ATOM 1719 O TYR B 5 15.781 6.490 -4.121 1.00 0.00 O ATOM 1720 CB TYR B 5 15.593 4.290 -6.891 1.00 0.00 C ATOM 1721 CG TYR B 5 14.489 3.457 -6.286 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.724 2.115 -5.928 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.215 4.013 -6.122 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.679 1.336 -5.390 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.171 3.238 -5.593 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.401 1.901 -5.221 1.00 0.00 C ATOM 1727 OH TYR B 5 11.371 1.139 -4.696 1.00 0.00 O ATOM 0 H TYR B 5 15.823 3.585 -4.270 1.00 0.00 H new ATOM 0 HA TYR B 5 17.461 5.140 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.159 5.076 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.201 3.667 -7.547 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.704 1.683 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.035 5.040 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.859 0.309 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.188 3.669 -5.471 1.00 0.00 H new ATOM 0 HH TYR B 5 11.699 0.237 -4.499 1.00 0.00 H new ATOM 1737 N VAL B 6 15.576 7.125 -6.219 1.00 0.00 N ATOM 1738 CA VAL B 6 15.053 8.475 -5.844 1.00 0.00 C ATOM 1739 C VAL B 6 13.674 8.416 -5.188 1.00 0.00 C ATOM 1740 O VAL B 6 12.852 7.570 -5.483 1.00 0.00 O ATOM 1741 CB VAL B 6 14.948 9.338 -7.108 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.897 10.816 -6.721 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.159 9.093 -8.001 1.00 0.00 C ATOM 0 H VAL B 6 15.657 6.964 -7.223 1.00 0.00 H new ATOM 0 HA VAL B 6 15.749 8.900 -5.121 1.00 0.00 H new ATOM 0 HB VAL B 6 14.039 9.071 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.822 11.426 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.028 10.997 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.804 11.081 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.080 9.708 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.069 9.354 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.195 8.041 -8.285 1.00 0.00 H new ATOM 1753 N CYS B 7 13.412 9.365 -4.325 1.00 0.00 N ATOM 1754 CA CYS B 7 12.085 9.456 -3.655 1.00 0.00 C ATOM 1755 C CYS B 7 11.280 10.541 -4.366 1.00 0.00 C ATOM 1756 O CYS B 7 11.401 11.711 -4.061 1.00 0.00 O ATOM 1757 CB CYS B 7 12.267 9.856 -2.192 1.00 0.00 C ATOM 1758 SG CYS B 7 13.365 8.698 -1.336 1.00 0.00 S ATOM 0 H CYS B 7 14.075 10.091 -4.054 1.00 0.00 H new ATOM 0 HA CYS B 7 11.575 8.494 -3.700 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.679 10.863 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.298 9.880 -1.694 1.00 0.00 H new ATOM 1763 N GLU B 8 10.480 10.175 -5.329 1.00 0.00 N ATOM 1764 CA GLU B 8 9.694 11.204 -6.075 1.00 0.00 C ATOM 1765 C GLU B 8 8.403 11.551 -5.330 1.00 0.00 C ATOM 1766 O GLU B 8 7.340 11.683 -5.919 1.00 0.00 O ATOM 1767 CB GLU B 8 9.352 10.672 -7.467 1.00 0.00 C ATOM 1768 CG GLU B 8 8.860 9.226 -7.353 1.00 0.00 C ATOM 1769 CD GLU B 8 8.122 8.831 -8.633 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.573 9.220 -9.697 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.116 8.148 -8.525 1.00 0.00 O ATOM 0 H GLU B 8 10.335 9.212 -5.633 1.00 0.00 H new ATOM 0 HA GLU B 8 10.298 12.107 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.584 11.294 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.229 10.719 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.704 8.556 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.198 9.124 -6.493 1.00 0.00 H new ATOM 1778 N GLY B 9 8.483 11.736 -4.048 1.00 0.00 N ATOM 1779 CA GLY B 9 7.265 12.119 -3.290 1.00 0.00 C ATOM 1780 C GLY B 9 6.924 13.570 -3.683 1.00 0.00 C ATOM 1781 O GLY B 9 6.892 13.861 -4.865 1.00 0.00 O ATOM 0 H GLY B 9 9.333 11.640 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.437 11.451 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.439 12.041 -2.217 1.00 0.00 H new ATOM 1785 N PRO B 10 6.700 14.464 -2.736 1.00 0.00 N ATOM 1786 CA PRO B 10 6.399 15.865 -3.088 1.00 0.00 C ATOM 1787 C PRO B 10 7.617 16.502 -3.778 1.00 0.00 C ATOM 1788 O PRO B 10 7.753 17.709 -3.837 1.00 0.00 O ATOM 1789 CB PRO B 10 6.083 16.559 -1.740 1.00 0.00 C ATOM 1790 CG PRO B 10 6.292 15.504 -0.613 1.00 0.00 C ATOM 1791 CD PRO B 10 6.718 14.179 -1.287 1.00 0.00 C ATOM 0 HA PRO B 10 5.565 15.957 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.737 17.418 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.059 16.932 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.056 15.839 0.089 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.373 15.366 -0.043 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.710 13.870 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO B 10 6.032 13.370 -1.035 1.00 0.00 H new ATOM 1799 N SER B 11 8.500 15.694 -4.296 1.00 0.00 N ATOM 1800 CA SER B 11 9.711 16.229 -4.976 1.00 0.00 C ATOM 1801 C SER B 11 9.362 16.621 -6.414 1.00 0.00 C ATOM 1802 O SER B 11 10.185 17.138 -7.142 1.00 0.00 O ATOM 1803 CB SER B 11 10.796 15.149 -4.984 1.00 0.00 C ATOM 1804 OG SER B 11 12.051 15.749 -5.276 1.00 0.00 O ATOM 0 H SER B 11 8.433 14.676 -4.277 1.00 0.00 H new ATOM 0 HA SER B 11 10.073 17.109 -4.445 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.835 14.649 -4.016 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.562 14.387 -5.728 1.00 0.00 H new ATOM 0 HG SER B 11 11.956 16.348 -6.045 1.00 0.00 H new ATOM 1810 N HIS B 12 8.149 16.381 -6.830 1.00 0.00 N ATOM 1811 CA HIS B 12 7.752 16.743 -8.221 1.00 0.00 C ATOM 1812 C HIS B 12 6.227 16.830 -8.311 1.00 0.00 C ATOM 1813 O HIS B 12 5.525 16.570 -7.354 1.00 0.00 O ATOM 1814 CB HIS B 12 8.261 15.674 -9.191 1.00 0.00 C ATOM 1815 CG HIS B 12 8.051 16.139 -10.606 1.00 0.00 C ATOM 1816 ND1 HIS B 12 7.134 15.537 -11.454 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.635 17.143 -11.338 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.191 16.178 -12.635 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.091 17.167 -12.619 1.00 0.00 N ATOM 0 H HIS B 12 7.415 15.950 -6.267 1.00 0.00 H new ATOM 0 HA HIS B 12 8.186 17.708 -8.483 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.319 15.481 -9.014 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.733 14.735 -9.023 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.401 17.813 -10.975 1.00 0.00 H new ATOM 0 HE1 HIS B 12 6.584 15.925 -13.492 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.328 17.802 -13.381 1.00 0.00 H new ATOM 1827 N GLY B 13 5.710 17.194 -9.452 1.00 0.00 N ATOM 1828 CA GLY B 13 4.229 17.296 -9.599 1.00 0.00 C ATOM 1829 C GLY B 13 3.705 18.429 -8.716 1.00 0.00 C ATOM 1830 O GLY B 13 4.519 19.119 -8.127 1.00 0.00 O ATOM 1831 OXT GLY B 13 2.497 18.588 -8.644 1.00 0.00 O ATOM 0 H GLY B 13 6.247 17.425 -10.288 1.00 0.00 H new ATOM 0 HA2 GLY B 13 3.968 17.483 -10.641 1.00 0.00 H new ATOM 0 HA3 GLY B 13 3.759 16.354 -9.317 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.712 -10.614 -1.279 1.00 0.24 O HETATM 1839 O HOH A 107 9.385 -3.678 5.133 1.00 0.40 O HETATM 1842 O HOH A 108 12.648 1.297 2.312 1.00 0.32 O HETATM 1845 O HOH A 109 -8.896 -8.600 -0.114 1.00 0.26 O HETATM 1848 O HOH A 110 -7.481 -12.949 0.626 1.00 0.21 O HETATM 1851 O HOH A 111 -12.276 -2.822 0.198 1.00 0.37 O