USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 902 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ -177:sc= -0.124 (180deg=-0.0564) USER MOD Set 1.2: B 59 THR OG1 : rot 5:sc= 0.456 USER MOD Set 2.1: A 1 MET CE :methyl -167:sc= -0.171 (180deg=-0.0908) USER MOD Set 2.2: B 48 ASN : amide:sc= -0.239 X(o=-0.41,f=-0.015) USER MOD Set 3.1: B 7 TYR OH : rot 180:sc= 1.28 USER MOD Set 3.2: B 28 SER OG : rot 132:sc= 0.92 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 1.01 USER MOD Set 4.2: A 28 SER OG : rot 126:sc= 1.19 USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.0835 (180deg=0) USER MOD Single : A 2 TYR OH : rot -130:sc= -0.0167 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0.0943 (180deg=0.0255) USER MOD Single : A 8 GLN : amide:sc= -1.72! K(o=-1.7!,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 135:sc= 1.11 (180deg=0.0555) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 THR OG1 : rot 70:sc= -0.515 USER MOD Single : A 26 MET CE :methyl -152:sc= -5.55! (180deg=-8.29!) USER MOD Single : A 29 SER OG : rot 28:sc= 0.207 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -170:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 0.207 K(o=0.21,f=-1) USER MOD Single : A 44 SER OG : rot -124:sc= -0.408 USER MOD Single : A 46 LYS NZ :NH3+ -101:sc= 1.24 (180deg=-0.545) USER MOD Single : A 48 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.62) USER MOD Single : A 49 SER OG : rot 8:sc= -0.444 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00781 USER MOD Single : A 58 THR OG1 : rot 110:sc= 0 USER MOD Single : A 59 THR OG1 : rot 0:sc= 0.983 USER MOD Single : B 1 MET CE :methyl -168:sc= -0.0278 (180deg=-0.224) USER MOD Single : B 1 MET N :NH3+ 141:sc= 0.0707 (180deg=0) USER MOD Single : B 2 TYR OH : rot -130:sc= -0.303 USER MOD Single : B 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.071) USER MOD Single : B 8 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= 0.243 (180deg=0.112) USER MOD Single : B 21 SER OG : rot 180:sc= 0.00372 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 25 THR OG1 : rot 130:sc= -0.696 USER MOD Single : B 26 MET CE :methyl -145:sc= -5.61! (180deg=-8.81!) USER MOD Single : B 29 SER OG : rot 29:sc= -0.0794 USER MOD Single : B 32 TYR OH : rot 151:sc= -0.423 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 142:sc= -0.132 (180deg=-1.92) USER MOD Single : B 37 SER OG : rot -160:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.732 K(o=-0.73,f=0.19) USER MOD Single : B 44 SER OG : rot -120:sc= -0.529 USER MOD Single : B 46 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.618) USER MOD Single : B 49 SER OG : rot 7:sc= 0.0449 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot -20:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.307 6.941 10.596 1.00 0.00 N ATOM 2 CA MET A 1 -11.523 7.503 9.470 1.00 0.00 C ATOM 3 C MET A 1 -10.550 6.444 8.936 1.00 0.00 C ATOM 4 O MET A 1 -10.158 5.525 9.677 1.00 0.00 O ATOM 5 CB MET A 1 -10.756 8.774 9.934 1.00 0.00 C ATOM 6 CG MET A 1 -9.985 9.515 8.837 1.00 0.00 C ATOM 7 SD MET A 1 -9.057 10.924 9.494 1.00 0.00 S ATOM 8 CE MET A 1 -8.116 11.425 8.055 1.00 0.00 C ATOM 0 H1 MET A 1 -13.233 6.621 10.248 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.794 6.135 11.008 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.444 7.672 11.323 1.00 0.00 H new ATOM 0 HA MET A 1 -12.201 7.789 8.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.470 9.465 10.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.054 8.488 10.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.298 8.825 8.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.683 9.864 8.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.335 12.123 8.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.661 10.548 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.779 11.909 7.337 1.00 0.00 H new ATOM 18 N TYR A 2 -10.196 6.548 7.640 1.00 0.00 N ATOM 19 CA TYR A 2 -9.164 5.699 7.039 1.00 0.00 C ATOM 20 C TYR A 2 -7.788 5.980 7.666 1.00 0.00 C ATOM 21 O TYR A 2 -7.489 7.104 8.095 1.00 0.00 O ATOM 22 CB TYR A 2 -9.116 5.809 5.482 1.00 0.00 C ATOM 23 CG TYR A 2 -9.297 7.204 4.859 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.488 8.284 5.212 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.282 7.427 3.887 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.658 9.526 4.629 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.453 8.665 3.306 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.642 9.709 3.679 1.00 0.00 C ATOM 29 OH TYR A 2 -9.821 10.944 3.110 1.00 0.00 O ATOM 0 H TYR A 2 -10.615 7.216 6.992 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.438 4.668 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.157 5.414 5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -9.889 5.157 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.715 8.148 5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -10.921 6.610 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.023 10.351 4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.221 8.814 2.561 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.769 11.190 3.153 1.00 0.00 H new ATOM 39 N LYS A 3 -6.977 4.930 7.697 1.00 0.00 N ATOM 40 CA LYS A 3 -5.702 4.890 8.411 1.00 0.00 C ATOM 41 C LYS A 3 -4.871 3.694 7.918 1.00 0.00 C ATOM 42 O LYS A 3 -5.353 2.865 7.126 1.00 0.00 O ATOM 43 CB LYS A 3 -5.900 4.884 9.983 1.00 0.00 C ATOM 44 CG LYS A 3 -7.156 4.173 10.538 1.00 0.00 C ATOM 45 CD LYS A 3 -7.169 2.652 10.301 1.00 0.00 C ATOM 46 CE LYS A 3 -8.438 1.996 10.867 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.666 2.525 10.221 1.00 0.00 N ATOM 0 H LYS A 3 -7.192 4.058 7.214 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.149 5.803 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.023 4.418 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.920 5.919 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.226 4.364 11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.042 4.610 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.102 2.450 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.290 2.204 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.386 0.917 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.489 2.170 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.490 1.978 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.792 3.524 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.577 2.444 9.188 1.00 0.00 H new ATOM 61 N PHE A 4 -3.629 3.627 8.404 1.00 0.00 N ATOM 62 CA PHE A 4 -2.649 2.613 8.015 1.00 0.00 C ATOM 63 C PHE A 4 -2.615 1.518 9.076 1.00 0.00 C ATOM 64 O PHE A 4 -2.158 1.744 10.189 1.00 0.00 O ATOM 65 CB PHE A 4 -1.252 3.253 7.857 1.00 0.00 C ATOM 66 CG PHE A 4 -1.216 4.399 6.858 1.00 0.00 C ATOM 67 CD1 PHE A 4 -0.991 4.164 5.506 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.420 5.715 7.277 1.00 0.00 C ATOM 69 CE1 PHE A 4 -0.963 5.206 4.608 1.00 0.00 C ATOM 70 CE2 PHE A 4 -1.392 6.754 6.378 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.164 6.498 5.047 1.00 0.00 C ATOM 0 H PHE A 4 -3.271 4.289 9.092 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.935 2.179 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.917 3.618 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.544 2.486 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.837 3.154 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.602 5.919 8.322 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.784 5.013 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.549 7.768 6.716 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.142 7.314 4.340 1.00 0.00 H new ATOM 81 N GLU A 5 -3.114 0.338 8.713 1.00 0.00 N ATOM 82 CA GLU A 5 -3.172 -0.815 9.608 1.00 0.00 C ATOM 83 C GLU A 5 -1.923 -1.677 9.394 1.00 0.00 C ATOM 84 O GLU A 5 -1.779 -2.324 8.350 1.00 0.00 O ATOM 85 CB GLU A 5 -4.478 -1.621 9.377 1.00 0.00 C ATOM 86 CG GLU A 5 -5.731 -0.941 9.978 1.00 0.00 C ATOM 87 CD GLU A 5 -7.035 -1.742 9.839 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.983 -2.981 9.740 1.00 0.00 O ATOM 89 OE2 GLU A 5 -8.125 -1.134 9.832 1.00 0.00 O ATOM 0 H GLU A 5 -3.492 0.154 7.784 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.187 -0.479 10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.627 -1.759 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.367 -2.613 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.550 -0.751 11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.865 0.028 9.498 1.00 0.00 H new ATOM 96 N ILE A 6 -1.027 -1.674 10.404 1.00 0.00 N ATOM 97 CA ILE A 6 0.268 -2.359 10.351 1.00 0.00 C ATOM 98 C ILE A 6 0.126 -3.703 11.042 1.00 0.00 C ATOM 99 O ILE A 6 -0.072 -3.775 12.257 1.00 0.00 O ATOM 100 CB ILE A 6 1.414 -1.559 11.073 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.454 -0.078 10.599 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.791 -2.254 10.843 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.396 0.801 11.398 1.00 0.00 C ATOM 0 H ILE A 6 -1.191 -1.188 11.286 1.00 0.00 H new ATOM 0 HA ILE A 6 0.543 -2.459 9.301 1.00 0.00 H new ATOM 0 HB ILE A 6 1.203 -1.557 12.142 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.750 -0.051 9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.448 0.338 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.573 -1.688 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.759 -3.267 11.244 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.005 -2.293 9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.366 1.817 11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.089 0.807 12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.411 0.412 11.320 1.00 0.00 H new ATOM 115 N TYR A 7 0.240 -4.750 10.272 1.00 0.00 N ATOM 116 CA TYR A 7 0.162 -6.114 10.766 1.00 0.00 C ATOM 117 C TYR A 7 1.343 -6.911 10.200 1.00 0.00 C ATOM 118 O TYR A 7 2.183 -6.375 9.472 1.00 0.00 O ATOM 119 CB TYR A 7 -1.207 -6.743 10.391 1.00 0.00 C ATOM 120 CG TYR A 7 -1.475 -6.837 8.878 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.947 -5.733 8.157 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.245 -8.023 8.172 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.178 -5.816 6.799 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.477 -8.104 6.817 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.943 -7.000 6.138 1.00 0.00 C ATOM 126 OH TYR A 7 -2.184 -7.083 4.790 1.00 0.00 O ATOM 0 H TYR A 7 0.392 -4.688 9.265 1.00 0.00 H new ATOM 0 HA TYR A 7 0.228 -6.130 11.854 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.262 -7.744 10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.001 -6.155 10.852 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.133 -4.802 8.672 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.879 -8.891 8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.542 -4.955 6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.294 -9.029 6.289 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.967 -7.985 4.474 1.00 0.00 H new ATOM 136 N GLN A 8 1.431 -8.175 10.578 1.00 0.00 N ATOM 137 CA GLN A 8 2.254 -9.157 9.862 1.00 0.00 C ATOM 138 C GLN A 8 1.311 -10.265 9.371 1.00 0.00 C ATOM 139 O GLN A 8 0.325 -10.610 10.041 1.00 0.00 O ATOM 140 CB GLN A 8 3.433 -9.716 10.722 1.00 0.00 C ATOM 141 CG GLN A 8 3.131 -10.971 11.560 1.00 0.00 C ATOM 142 CD GLN A 8 4.280 -11.350 12.497 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.340 -10.915 13.641 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.213 -12.148 12.008 1.00 0.00 N ATOM 0 H GLN A 8 0.939 -8.557 11.386 1.00 0.00 H new ATOM 0 HA GLN A 8 2.748 -8.675 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.265 -9.942 10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.769 -8.928 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.230 -10.801 12.149 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.922 -11.807 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.137 -12.495 11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.009 -12.417 12.587 1.00 0.00 H new ATOM 153 N ASP A 9 1.601 -10.767 8.182 1.00 0.00 N ATOM 154 CA ASP A 9 0.814 -11.784 7.505 1.00 0.00 C ATOM 155 C ASP A 9 1.164 -13.154 8.080 1.00 0.00 C ATOM 156 O ASP A 9 2.207 -13.287 8.719 1.00 0.00 O ATOM 157 CB ASP A 9 1.120 -11.704 5.985 1.00 0.00 C ATOM 158 CG ASP A 9 0.382 -12.751 5.132 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.850 -12.646 4.993 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.023 -13.707 4.641 1.00 0.00 O ATOM 0 H ASP A 9 2.415 -10.469 7.645 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.253 -11.623 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.857 -10.709 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.193 -11.823 5.836 1.00 0.00 H new ATOM 165 N LYS A 10 0.279 -14.136 7.838 1.00 0.00 N ATOM 166 CA LYS A 10 0.426 -15.551 8.251 1.00 0.00 C ATOM 167 C LYS A 10 1.796 -16.150 7.857 1.00 0.00 C ATOM 168 O LYS A 10 2.374 -16.949 8.595 1.00 0.00 O ATOM 169 CB LYS A 10 -0.774 -16.371 7.680 1.00 0.00 C ATOM 170 CG LYS A 10 -1.030 -16.228 6.145 1.00 0.00 C ATOM 171 CD LYS A 10 -0.337 -17.307 5.276 1.00 0.00 C ATOM 172 CE LYS A 10 -0.841 -18.729 5.595 1.00 0.00 C ATOM 173 NZ LYS A 10 -0.265 -19.760 4.695 1.00 0.00 N ATOM 0 H LYS A 10 -0.590 -13.965 7.332 1.00 0.00 H new ATOM 0 HA LYS A 10 0.404 -15.603 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.608 -17.425 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.678 -16.071 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.104 -16.268 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.688 -15.245 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.513 -17.090 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.740 -17.262 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.592 -18.975 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.928 -18.750 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.638 -20.695 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.524 -19.545 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.771 -19.763 4.788 1.00 0.00 H new ATOM 187 N ALA A 11 2.311 -15.719 6.692 1.00 0.00 N ATOM 188 CA ALA A 11 3.658 -16.082 6.186 1.00 0.00 C ATOM 189 C ALA A 11 4.805 -15.381 6.978 1.00 0.00 C ATOM 190 O ALA A 11 5.979 -15.519 6.626 1.00 0.00 O ATOM 191 CB ALA A 11 3.736 -15.733 4.690 1.00 0.00 C ATOM 0 H ALA A 11 1.801 -15.100 6.062 1.00 0.00 H new ATOM 0 HA ALA A 11 3.800 -17.153 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.722 -15.995 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.974 -16.292 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.567 -14.664 4.556 1.00 0.00 H new ATOM 197 N GLY A 12 4.441 -14.660 8.052 1.00 0.00 N ATOM 198 CA GLY A 12 5.371 -13.880 8.872 1.00 0.00 C ATOM 199 C GLY A 12 5.921 -12.662 8.153 1.00 0.00 C ATOM 200 O GLY A 12 7.081 -12.292 8.342 1.00 0.00 O ATOM 0 H GLY A 12 3.476 -14.605 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.863 -13.559 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.200 -14.519 9.178 1.00 0.00 H new ATOM 204 N GLU A 13 5.070 -12.022 7.339 1.00 0.00 N ATOM 205 CA GLU A 13 5.496 -10.909 6.457 1.00 0.00 C ATOM 206 C GLU A 13 4.933 -9.567 6.947 1.00 0.00 C ATOM 207 O GLU A 13 3.722 -9.390 6.988 1.00 0.00 O ATOM 208 CB GLU A 13 5.034 -11.180 5.001 1.00 0.00 C ATOM 209 CG GLU A 13 5.665 -12.420 4.341 1.00 0.00 C ATOM 210 CD GLU A 13 7.191 -12.305 4.174 1.00 0.00 C ATOM 211 OE1 GLU A 13 7.642 -11.634 3.216 1.00 0.00 O ATOM 212 OE2 GLU A 13 7.946 -12.859 5.002 1.00 0.00 O ATOM 0 H GLU A 13 4.079 -12.251 7.268 1.00 0.00 H new ATOM 0 HA GLU A 13 6.584 -10.850 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.950 -11.295 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.265 -10.305 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.437 -13.300 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.209 -12.575 3.363 1.00 0.00 H new ATOM 219 N TYR A 14 5.809 -8.582 7.200 1.00 0.00 N ATOM 220 CA TYR A 14 5.397 -7.314 7.838 1.00 0.00 C ATOM 221 C TYR A 14 4.831 -6.377 6.762 1.00 0.00 C ATOM 222 O TYR A 14 5.565 -5.863 5.925 1.00 0.00 O ATOM 223 CB TYR A 14 6.557 -6.645 8.628 1.00 0.00 C ATOM 224 CG TYR A 14 6.849 -7.317 9.978 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.186 -6.909 11.144 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.775 -8.357 10.084 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.442 -7.515 12.352 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.031 -8.963 11.301 1.00 0.00 C ATOM 229 CZ TYR A 14 7.361 -8.538 12.428 1.00 0.00 C ATOM 230 OH TYR A 14 7.609 -9.137 13.641 1.00 0.00 O ATOM 0 H TYR A 14 6.803 -8.635 6.975 1.00 0.00 H new ATOM 0 HA TYR A 14 4.623 -7.530 8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.460 -6.666 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.312 -5.597 8.799 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.464 -6.107 11.093 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.300 -8.694 9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.922 -7.189 13.241 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.752 -9.765 11.368 1.00 0.00 H new ATOM 0 HH TYR A 14 8.281 -9.841 13.527 1.00 0.00 H new ATOM 240 N ARG A 15 3.510 -6.167 6.835 1.00 0.00 N ATOM 241 CA ARG A 15 2.714 -5.492 5.803 1.00 0.00 C ATOM 242 C ARG A 15 1.791 -4.464 6.441 1.00 0.00 C ATOM 243 O ARG A 15 1.141 -4.756 7.440 1.00 0.00 O ATOM 244 CB ARG A 15 1.876 -6.548 5.039 1.00 0.00 C ATOM 245 CG ARG A 15 2.728 -7.591 4.297 1.00 0.00 C ATOM 246 CD ARG A 15 1.906 -8.772 3.809 1.00 0.00 C ATOM 247 NE ARG A 15 2.719 -9.727 3.035 1.00 0.00 N ATOM 248 CZ ARG A 15 2.241 -10.777 2.357 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.934 -10.968 2.238 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.077 -11.617 1.762 1.00 0.00 N ATOM 0 H ARG A 15 2.952 -6.470 7.633 1.00 0.00 H new ATOM 0 HA ARG A 15 3.380 -4.979 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.222 -7.061 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.233 -6.039 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.218 -7.117 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.516 -7.950 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.462 -9.283 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.084 -8.411 3.191 1.00 0.00 H new ATOM 0 HE ARG A 15 3.727 -9.575 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.282 -10.311 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.581 -11.772 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.083 -11.462 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.714 -12.418 1.245 1.00 0.00 H new ATOM 264 N PHE A 16 1.717 -3.276 5.845 1.00 0.00 N ATOM 265 CA PHE A 16 0.730 -2.263 6.213 1.00 0.00 C ATOM 266 C PHE A 16 -0.233 -2.098 5.045 1.00 0.00 C ATOM 267 O PHE A 16 0.158 -2.227 3.871 1.00 0.00 O ATOM 268 CB PHE A 16 1.388 -0.914 6.615 1.00 0.00 C ATOM 269 CG PHE A 16 2.277 -0.259 5.549 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.629 -0.579 5.455 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.761 0.686 4.659 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.437 0.022 4.512 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.568 1.285 3.715 1.00 0.00 C ATOM 274 CZ PHE A 16 3.904 0.952 3.642 1.00 0.00 C ATOM 0 H PHE A 16 2.341 -2.988 5.091 1.00 0.00 H new ATOM 0 HA PHE A 16 0.187 -2.593 7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.598 -0.212 6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.988 -1.077 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.051 -1.308 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.715 0.951 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.485 -0.235 4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.154 2.014 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.536 1.420 2.902 1.00 0.00 H new ATOM 284 N ARG A 17 -1.490 -1.853 5.376 1.00 0.00 N ATOM 285 CA ARG A 17 -2.547 -1.593 4.406 1.00 0.00 C ATOM 286 C ARG A 17 -3.136 -0.213 4.677 1.00 0.00 C ATOM 287 O ARG A 17 -2.900 0.370 5.741 1.00 0.00 O ATOM 288 CB ARG A 17 -3.639 -2.689 4.493 1.00 0.00 C ATOM 289 CG ARG A 17 -4.318 -2.838 5.870 1.00 0.00 C ATOM 290 CD ARG A 17 -5.419 -3.907 5.856 1.00 0.00 C ATOM 291 NE ARG A 17 -5.880 -4.253 7.211 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.159 -5.496 7.631 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.034 -6.532 6.809 1.00 0.00 N ATOM 294 NH2 ARG A 17 -6.553 -5.692 8.870 1.00 0.00 N ATOM 0 H ARG A 17 -1.813 -1.828 6.343 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.136 -1.615 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.407 -2.473 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.192 -3.646 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.569 -3.099 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.746 -1.881 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.264 -3.548 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.045 -4.804 5.362 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.996 -3.491 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.723 -6.386 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.249 -7.473 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.645 -4.901 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.766 -6.635 9.194 1.00 0.00 H new ATOM 308 N PHE A 18 -3.914 0.301 3.722 1.00 0.00 N ATOM 309 CA PHE A 18 -4.626 1.573 3.883 1.00 0.00 C ATOM 310 C PHE A 18 -6.102 1.314 3.621 1.00 0.00 C ATOM 311 O PHE A 18 -6.472 0.559 2.703 1.00 0.00 O ATOM 312 CB PHE A 18 -4.060 2.674 2.955 1.00 0.00 C ATOM 313 CG PHE A 18 -4.681 4.059 3.121 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.833 4.626 4.381 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.091 4.801 2.016 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.377 5.879 4.532 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.631 6.057 2.164 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.776 6.598 3.426 1.00 0.00 C ATOM 0 H PHE A 18 -4.069 -0.149 2.820 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.489 1.948 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.987 2.753 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.194 2.357 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.519 4.074 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.983 4.383 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.492 6.301 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.941 6.619 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.202 7.583 3.546 1.00 0.00 H new ATOM 328 N LYS A 19 -6.925 1.902 4.476 1.00 0.00 N ATOM 329 CA LYS A 19 -8.365 1.675 4.510 1.00 0.00 C ATOM 330 C LYS A 19 -9.124 2.776 3.752 1.00 0.00 C ATOM 331 O LYS A 19 -8.516 3.671 3.149 1.00 0.00 O ATOM 332 CB LYS A 19 -8.796 1.584 5.999 1.00 0.00 C ATOM 333 CG LYS A 19 -8.045 0.482 6.792 1.00 0.00 C ATOM 334 CD LYS A 19 -8.293 -0.932 6.192 1.00 0.00 C ATOM 335 CE LYS A 19 -9.728 -1.424 6.414 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.969 -1.857 7.813 1.00 0.00 N ATOM 0 H LYS A 19 -6.605 2.565 5.182 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.613 0.743 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.624 2.547 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.868 1.390 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.976 0.696 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.370 0.498 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.081 -0.911 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.597 -1.640 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.426 -0.627 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.932 -2.255 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.876 -1.471 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.999 -2.896 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.201 -1.508 8.422 1.00 0.00 H new ATOM 350 N ALA A 20 -10.462 2.671 3.771 1.00 0.00 N ATOM 351 CA ALA A 20 -11.385 3.660 3.195 1.00 0.00 C ATOM 352 C ALA A 20 -12.337 4.149 4.313 1.00 0.00 C ATOM 353 O ALA A 20 -11.964 4.113 5.492 1.00 0.00 O ATOM 354 CB ALA A 20 -12.114 3.047 1.987 1.00 0.00 C ATOM 0 H ALA A 20 -10.942 1.878 4.197 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.852 4.532 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.797 3.783 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.384 2.752 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.678 2.171 2.308 1.00 0.00 H new ATOM 360 N SER A 21 -13.574 4.563 3.976 1.00 0.00 N ATOM 361 CA SER A 21 -14.460 5.290 4.919 1.00 0.00 C ATOM 362 C SER A 21 -15.388 4.301 5.668 1.00 0.00 C ATOM 363 O SER A 21 -15.808 4.557 6.803 1.00 0.00 O ATOM 364 CB SER A 21 -15.281 6.340 4.140 1.00 0.00 C ATOM 365 OG SER A 21 -15.998 5.740 3.066 1.00 0.00 O ATOM 0 H SER A 21 -13.987 4.408 3.056 1.00 0.00 H new ATOM 0 HA SER A 21 -13.852 5.800 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.979 6.834 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.615 7.110 3.751 1.00 0.00 H new ATOM 0 HG SER A 21 -16.511 6.427 2.591 1.00 0.00 H new ATOM 371 N ASN A 22 -15.681 3.157 5.019 1.00 0.00 N ATOM 372 CA ASN A 22 -16.586 2.102 5.555 1.00 0.00 C ATOM 373 C ASN A 22 -15.792 0.893 6.086 1.00 0.00 C ATOM 374 O ASN A 22 -16.368 -0.171 6.344 1.00 0.00 O ATOM 375 CB ASN A 22 -17.555 1.630 4.439 1.00 0.00 C ATOM 376 CG ASN A 22 -18.444 2.744 3.888 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.912 3.619 4.620 1.00 0.00 O ATOM 378 ND2 ASN A 22 -18.667 2.720 2.585 1.00 0.00 N ATOM 0 H ASN A 22 -15.298 2.930 4.101 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.148 2.532 6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.974 1.203 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.187 0.833 4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.244 3.442 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.262 1.980 2.012 1.00 0.00 H new ATOM 385 N GLY A 23 -14.476 1.081 6.288 1.00 0.00 N ATOM 386 CA GLY A 23 -13.583 -0.019 6.658 1.00 0.00 C ATOM 387 C GLY A 23 -13.206 -0.914 5.477 1.00 0.00 C ATOM 388 O GLY A 23 -12.820 -2.075 5.671 1.00 0.00 O ATOM 0 H GLY A 23 -14.012 1.985 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.674 0.392 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.063 -0.625 7.426 1.00 0.00 H new ATOM 392 N GLU A 24 -13.342 -0.376 4.248 1.00 0.00 N ATOM 393 CA GLU A 24 -12.881 -1.062 3.019 1.00 0.00 C ATOM 394 C GLU A 24 -11.352 -0.958 2.916 1.00 0.00 C ATOM 395 O GLU A 24 -10.787 0.001 3.417 1.00 0.00 O ATOM 396 CB GLU A 24 -13.552 -0.431 1.774 1.00 0.00 C ATOM 397 CG GLU A 24 -15.087 -0.573 1.731 1.00 0.00 C ATOM 398 CD GLU A 24 -15.552 -2.038 1.664 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.314 -2.696 0.627 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.140 -2.549 2.642 1.00 0.00 O ATOM 0 H GLU A 24 -13.769 0.535 4.078 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.162 -2.114 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.297 0.628 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.132 -0.891 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.515 -0.101 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.472 -0.035 0.865 1.00 0.00 H new ATOM 407 N THR A 25 -10.679 -1.948 2.306 1.00 0.00 N ATOM 408 CA THR A 25 -9.215 -1.881 2.063 1.00 0.00 C ATOM 409 C THR A 25 -8.943 -1.721 0.561 1.00 0.00 C ATOM 410 O THR A 25 -9.565 -2.394 -0.272 1.00 0.00 O ATOM 411 CB THR A 25 -8.468 -3.137 2.626 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.780 -3.306 4.010 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.940 -3.042 2.465 1.00 0.00 C ATOM 0 H THR A 25 -11.118 -2.805 1.970 1.00 0.00 H new ATOM 0 HA THR A 25 -8.828 -1.012 2.596 1.00 0.00 H new ATOM 0 HB THR A 25 -8.810 -3.994 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.715 -3.586 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.475 -3.940 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.690 -2.952 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.571 -2.167 3.001 1.00 0.00 H new ATOM 421 N MET A 26 -8.005 -0.822 0.236 1.00 0.00 N ATOM 422 CA MET A 26 -7.693 -0.419 -1.149 1.00 0.00 C ATOM 423 C MET A 26 -6.275 -0.864 -1.577 1.00 0.00 C ATOM 424 O MET A 26 -6.037 -1.096 -2.770 1.00 0.00 O ATOM 425 CB MET A 26 -7.939 1.104 -1.320 1.00 0.00 C ATOM 426 CG MET A 26 -7.460 1.976 -0.150 1.00 0.00 C ATOM 427 SD MET A 26 -5.689 1.887 0.117 1.00 0.00 S ATOM 428 CE MET A 26 -5.112 2.632 -1.386 1.00 0.00 C ATOM 0 H MET A 26 -7.432 -0.346 0.933 1.00 0.00 H new ATOM 0 HA MET A 26 -8.368 -0.938 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.439 1.437 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.007 1.270 -1.464 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.741 3.012 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.974 1.667 0.760 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.126 2.238 -1.632 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.806 2.404 -2.195 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.049 3.712 -1.256 1.00 0.00 H new ATOM 438 N PHE A 27 -5.334 -0.988 -0.619 1.00 0.00 N ATOM 439 CA PHE A 27 -4.057 -1.698 -0.859 1.00 0.00 C ATOM 440 C PHE A 27 -3.573 -2.384 0.413 1.00 0.00 C ATOM 441 O PHE A 27 -4.014 -2.084 1.513 1.00 0.00 O ATOM 442 CB PHE A 27 -2.907 -0.787 -1.460 1.00 0.00 C ATOM 443 CG PHE A 27 -2.001 -0.032 -0.449 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.344 1.218 0.013 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.810 -0.588 0.036 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.567 1.904 0.909 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.020 0.094 0.948 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.400 1.345 1.384 1.00 0.00 C ATOM 0 H PHE A 27 -5.431 -0.609 0.323 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.280 -2.444 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.269 -1.414 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.368 -0.050 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.256 1.674 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.502 -1.565 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.870 2.885 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.891 -0.354 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.212 1.883 2.093 1.00 0.00 H new ATOM 458 N SER A 28 -2.627 -3.275 0.186 1.00 0.00 N ATOM 459 CA SER A 28 -1.800 -3.922 1.192 1.00 0.00 C ATOM 460 C SER A 28 -0.407 -4.035 0.578 1.00 0.00 C ATOM 461 O SER A 28 -0.285 -4.203 -0.645 1.00 0.00 O ATOM 462 CB SER A 28 -2.357 -5.305 1.568 1.00 0.00 C ATOM 463 OG SER A 28 -1.443 -6.025 2.376 1.00 0.00 O ATOM 0 H SER A 28 -2.401 -3.586 -0.759 1.00 0.00 H new ATOM 0 HA SER A 28 -1.780 -3.346 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.301 -5.187 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.570 -5.872 0.662 1.00 0.00 H new ATOM 0 HG SER A 28 -1.893 -6.320 3.195 1.00 0.00 H new ATOM 469 N SER A 29 0.634 -3.912 1.404 1.00 0.00 N ATOM 470 CA SER A 29 2.018 -3.971 0.930 1.00 0.00 C ATOM 471 C SER A 29 2.419 -5.442 0.685 1.00 0.00 C ATOM 472 O SER A 29 1.799 -6.368 1.239 1.00 0.00 O ATOM 473 CB SER A 29 2.962 -3.298 1.959 1.00 0.00 C ATOM 474 OG SER A 29 4.304 -3.239 1.483 1.00 0.00 O ATOM 0 H SER A 29 0.543 -3.770 2.410 1.00 0.00 H new ATOM 0 HA SER A 29 2.105 -3.428 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.607 -2.290 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.933 -3.852 2.897 1.00 0.00 H new ATOM 0 HG SER A 29 4.303 -3.213 0.503 1.00 0.00 H new ATOM 480 N GLU A 30 3.434 -5.646 -0.166 1.00 0.00 N ATOM 481 CA GLU A 30 4.068 -6.961 -0.358 1.00 0.00 C ATOM 482 C GLU A 30 4.896 -7.350 0.886 1.00 0.00 C ATOM 483 O GLU A 30 5.147 -8.536 1.141 1.00 0.00 O ATOM 484 CB GLU A 30 4.941 -6.958 -1.632 1.00 0.00 C ATOM 485 CG GLU A 30 6.028 -5.868 -1.675 1.00 0.00 C ATOM 486 CD GLU A 30 6.949 -6.003 -2.896 1.00 0.00 C ATOM 487 OE1 GLU A 30 6.452 -5.935 -4.036 1.00 0.00 O ATOM 488 OE2 GLU A 30 8.166 -6.215 -2.723 1.00 0.00 O ATOM 0 H GLU A 30 3.839 -4.907 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 30 3.287 -7.710 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.421 -7.932 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.291 -6.836 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.554 -4.887 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.626 -5.920 -0.765 1.00 0.00 H new ATOM 495 N GLY A 31 5.281 -6.325 1.667 1.00 0.00 N ATOM 496 CA GLY A 31 5.921 -6.512 2.968 1.00 0.00 C ATOM 497 C GLY A 31 7.353 -5.999 3.040 1.00 0.00 C ATOM 498 O GLY A 31 8.206 -6.666 3.616 1.00 0.00 O ATOM 0 H GLY A 31 5.154 -5.347 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.327 -6.005 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.915 -7.574 3.214 1.00 0.00 H new ATOM 502 N TYR A 32 7.566 -4.807 2.441 1.00 0.00 N ATOM 503 CA TYR A 32 8.815 -3.976 2.454 1.00 0.00 C ATOM 504 C TYR A 32 10.065 -4.595 3.157 1.00 0.00 C ATOM 505 O TYR A 32 11.047 -4.920 2.484 1.00 0.00 O ATOM 506 CB TYR A 32 8.483 -2.571 3.037 1.00 0.00 C ATOM 507 CG TYR A 32 9.594 -1.517 2.897 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.274 -1.341 1.683 1.00 0.00 C ATOM 509 CD2 TYR A 32 9.935 -0.671 3.956 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.243 -0.366 1.543 1.00 0.00 C ATOM 511 CE2 TYR A 32 10.907 0.301 3.818 1.00 0.00 C ATOM 512 CZ TYR A 32 11.557 0.447 2.608 1.00 0.00 C ATOM 513 OH TYR A 32 12.519 1.422 2.465 1.00 0.00 O ATOM 0 H TYR A 32 6.828 -4.360 1.896 1.00 0.00 H new ATOM 0 HA TYR A 32 9.129 -3.915 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.586 -2.195 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.244 -2.683 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.036 -1.978 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.427 -0.780 4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.753 -0.242 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.157 0.942 4.650 1.00 0.00 H new ATOM 0 HH TYR A 32 12.620 1.909 3.310 1.00 0.00 H new ATOM 523 N LYS A 33 10.006 -4.765 4.499 1.00 0.00 N ATOM 524 CA LYS A 33 11.159 -5.257 5.293 1.00 0.00 C ATOM 525 C LYS A 33 10.725 -5.680 6.719 1.00 0.00 C ATOM 526 O LYS A 33 10.690 -6.874 7.031 1.00 0.00 O ATOM 527 CB LYS A 33 12.271 -4.161 5.358 1.00 0.00 C ATOM 528 CG LYS A 33 13.559 -4.552 6.132 1.00 0.00 C ATOM 529 CD LYS A 33 14.334 -5.728 5.489 1.00 0.00 C ATOM 530 CE LYS A 33 14.801 -5.432 4.051 1.00 0.00 C ATOM 531 NZ LYS A 33 15.606 -6.545 3.485 1.00 0.00 N ATOM 0 H LYS A 33 9.173 -4.569 5.055 1.00 0.00 H new ATOM 0 HA LYS A 33 11.561 -6.140 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.549 -3.892 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.849 -3.268 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.215 -3.684 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.292 -4.819 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.202 -5.963 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.698 -6.614 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.932 -5.255 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.393 -4.517 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.899 -6.304 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.449 -6.698 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.034 -7.413 3.467 1.00 0.00 H new ATOM 545 N ALA A 34 10.357 -4.693 7.566 1.00 0.00 N ATOM 546 CA ALA A 34 10.147 -4.907 9.024 1.00 0.00 C ATOM 547 C ALA A 34 9.131 -3.905 9.575 1.00 0.00 C ATOM 548 O ALA A 34 8.678 -3.026 8.836 1.00 0.00 O ATOM 549 CB ALA A 34 11.486 -4.781 9.767 1.00 0.00 C ATOM 0 H ALA A 34 10.197 -3.731 7.266 1.00 0.00 H new ATOM 0 HA ALA A 34 9.750 -5.910 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.326 -4.939 10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.183 -5.529 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.900 -3.786 9.605 1.00 0.00 H new ATOM 555 N LYS A 35 8.788 -4.006 10.881 1.00 0.00 N ATOM 556 CA LYS A 35 7.812 -3.123 11.542 1.00 0.00 C ATOM 557 C LYS A 35 8.317 -1.667 11.599 1.00 0.00 C ATOM 558 O LYS A 35 7.584 -0.737 11.257 1.00 0.00 O ATOM 559 CB LYS A 35 7.548 -3.687 12.970 1.00 0.00 C ATOM 560 CG LYS A 35 6.796 -2.751 13.937 1.00 0.00 C ATOM 561 CD LYS A 35 5.379 -2.392 13.458 1.00 0.00 C ATOM 562 CE LYS A 35 4.695 -1.367 14.376 1.00 0.00 C ATOM 563 NZ LYS A 35 4.642 -1.800 15.790 1.00 0.00 N ATOM 0 H LYS A 35 9.186 -4.708 11.505 1.00 0.00 H new ATOM 0 HA LYS A 35 6.884 -3.103 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.979 -4.612 12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.506 -3.947 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.732 -3.227 14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.372 -1.834 14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.431 -1.992 12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.773 -3.297 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.228 -0.418 14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.681 -1.188 14.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.125 -1.092 16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.154 -2.716 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.609 -1.896 16.160 1.00 0.00 H new ATOM 577 N ALA A 36 9.558 -1.485 12.061 1.00 0.00 N ATOM 578 CA ALA A 36 10.222 -0.166 12.074 1.00 0.00 C ATOM 579 C ALA A 36 10.246 0.463 10.666 1.00 0.00 C ATOM 580 O ALA A 36 9.913 1.642 10.487 1.00 0.00 O ATOM 581 CB ALA A 36 11.633 -0.316 12.644 1.00 0.00 C ATOM 0 H ALA A 36 10.133 -2.240 12.436 1.00 0.00 H new ATOM 0 HA ALA A 36 9.654 0.512 12.712 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.126 0.656 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.575 -0.705 13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.205 -1.006 12.023 1.00 0.00 H new ATOM 587 N SER A 37 10.577 -0.380 9.670 1.00 0.00 N ATOM 588 CA SER A 37 10.620 0.012 8.251 1.00 0.00 C ATOM 589 C SER A 37 9.211 0.353 7.719 1.00 0.00 C ATOM 590 O SER A 37 9.082 1.125 6.768 1.00 0.00 O ATOM 591 CB SER A 37 11.238 -1.126 7.420 1.00 0.00 C ATOM 592 OG SER A 37 12.515 -1.492 7.921 1.00 0.00 O ATOM 0 H SER A 37 10.823 -1.357 9.829 1.00 0.00 H new ATOM 0 HA SER A 37 11.236 0.907 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.576 -1.992 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.329 -0.813 6.380 1.00 0.00 H new ATOM 0 HG SER A 37 12.952 -2.100 7.289 1.00 0.00 H new ATOM 598 N ALA A 38 8.168 -0.231 8.357 1.00 0.00 N ATOM 599 CA ALA A 38 6.768 0.019 7.996 1.00 0.00 C ATOM 600 C ALA A 38 6.380 1.459 8.332 1.00 0.00 C ATOM 601 O ALA A 38 5.860 2.154 7.471 1.00 0.00 O ATOM 602 CB ALA A 38 5.821 -0.982 8.682 1.00 0.00 C ATOM 0 H ALA A 38 8.282 -0.884 9.132 1.00 0.00 H new ATOM 0 HA ALA A 38 6.668 -0.124 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.792 -0.767 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.080 -1.996 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.919 -0.893 9.764 1.00 0.00 H new ATOM 608 N ILE A 39 6.638 1.902 9.586 1.00 0.00 N ATOM 609 CA ILE A 39 6.385 3.301 10.015 1.00 0.00 C ATOM 610 C ILE A 39 7.122 4.301 9.113 1.00 0.00 C ATOM 611 O ILE A 39 6.498 5.232 8.614 1.00 0.00 O ATOM 612 CB ILE A 39 6.768 3.560 11.540 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.702 2.953 12.510 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.992 5.061 11.862 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.759 1.455 12.627 1.00 0.00 C ATOM 0 H ILE A 39 7.023 1.309 10.321 1.00 0.00 H new ATOM 0 HA ILE A 39 5.310 3.456 9.918 1.00 0.00 H new ATOM 0 HB ILE A 39 7.719 3.050 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.837 3.389 13.500 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.709 3.242 12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.250 5.173 12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.804 5.448 11.247 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.080 5.619 11.651 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.988 1.114 13.318 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.592 1.007 11.647 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.738 1.156 13.001 1.00 0.00 H new ATOM 627 N HIS A 40 8.440 4.081 8.896 1.00 0.00 N ATOM 628 CA HIS A 40 9.285 4.977 8.068 1.00 0.00 C ATOM 629 C HIS A 40 8.726 5.102 6.638 1.00 0.00 C ATOM 630 O HIS A 40 8.706 6.208 6.047 1.00 0.00 O ATOM 631 CB HIS A 40 10.759 4.493 8.045 1.00 0.00 C ATOM 632 CG HIS A 40 11.447 4.600 9.377 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.504 5.771 10.104 1.00 0.00 N ATOM 634 CD2 HIS A 40 12.105 3.682 10.113 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.158 5.560 11.220 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.533 4.301 11.256 1.00 0.00 N ATOM 0 H HIS A 40 8.945 3.285 9.286 1.00 0.00 H new ATOM 0 HA HIS A 40 9.264 5.966 8.525 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.787 3.455 7.713 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.313 5.078 7.311 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.100 6.663 9.817 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.265 2.647 9.849 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.356 6.298 11.983 1.00 0.00 H new ATOM 645 N ALA A 41 8.231 3.971 6.106 1.00 0.00 N ATOM 646 CA ALA A 41 7.510 3.938 4.837 1.00 0.00 C ATOM 647 C ALA A 41 6.256 4.828 4.919 1.00 0.00 C ATOM 648 O ALA A 41 6.131 5.786 4.176 1.00 0.00 O ATOM 649 CB ALA A 41 7.158 2.486 4.463 1.00 0.00 C ATOM 0 H ALA A 41 8.324 3.057 6.550 1.00 0.00 H new ATOM 0 HA ALA A 41 8.148 4.336 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.621 2.475 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.074 1.903 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.530 2.052 5.241 1.00 0.00 H new ATOM 655 N ILE A 42 5.387 4.562 5.891 1.00 0.00 N ATOM 656 CA ILE A 42 4.144 5.330 6.103 1.00 0.00 C ATOM 657 C ILE A 42 4.427 6.835 6.321 1.00 0.00 C ATOM 658 O ILE A 42 3.607 7.684 5.964 1.00 0.00 O ATOM 659 CB ILE A 42 3.336 4.735 7.303 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.927 3.262 6.982 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.097 5.595 7.649 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.491 2.455 8.177 1.00 0.00 C ATOM 0 H ILE A 42 5.518 3.805 6.562 1.00 0.00 H new ATOM 0 HA ILE A 42 3.542 5.244 5.198 1.00 0.00 H new ATOM 0 HB ILE A 42 3.978 4.743 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.116 3.275 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.771 2.760 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.565 5.146 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.417 6.601 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.435 5.644 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.226 1.447 7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.306 2.405 8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.625 2.928 8.639 1.00 0.00 H new ATOM 674 N GLU A 43 5.629 7.154 6.829 1.00 0.00 N ATOM 675 CA GLU A 43 6.040 8.544 7.071 1.00 0.00 C ATOM 676 C GLU A 43 6.194 9.288 5.743 1.00 0.00 C ATOM 677 O GLU A 43 5.878 10.476 5.677 1.00 0.00 O ATOM 678 CB GLU A 43 7.330 8.640 7.927 1.00 0.00 C ATOM 679 CG GLU A 43 7.138 8.219 9.403 1.00 0.00 C ATOM 680 CD GLU A 43 8.366 8.500 10.288 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.314 7.687 10.294 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.390 9.548 10.972 1.00 0.00 O ATOM 0 H GLU A 43 6.335 6.463 7.081 1.00 0.00 H new ATOM 0 HA GLU A 43 5.252 9.024 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.099 8.012 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.698 9.666 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.276 8.746 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.909 7.154 9.442 1.00 0.00 H new ATOM 689 N SER A 44 6.637 8.565 4.683 1.00 0.00 N ATOM 690 CA SER A 44 6.612 9.083 3.292 1.00 0.00 C ATOM 691 C SER A 44 5.211 9.550 2.882 1.00 0.00 C ATOM 692 O SER A 44 5.067 10.584 2.206 1.00 0.00 O ATOM 693 CB SER A 44 7.079 8.000 2.292 1.00 0.00 C ATOM 694 OG SER A 44 8.486 7.814 2.338 1.00 0.00 O ATOM 0 H SER A 44 7.016 7.622 4.766 1.00 0.00 H new ATOM 0 HA SER A 44 7.292 9.934 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.580 7.057 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.782 8.285 1.283 1.00 0.00 H new ATOM 0 HG SER A 44 8.863 7.943 1.442 1.00 0.00 H new ATOM 700 N ILE A 45 4.182 8.784 3.300 1.00 0.00 N ATOM 701 CA ILE A 45 2.809 9.064 2.902 1.00 0.00 C ATOM 702 C ILE A 45 2.345 10.370 3.569 1.00 0.00 C ATOM 703 O ILE A 45 1.715 11.226 2.934 1.00 0.00 O ATOM 704 CB ILE A 45 1.775 7.901 3.230 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.395 6.471 3.099 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.585 8.018 2.271 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.686 6.014 1.686 1.00 0.00 C ATOM 0 H ILE A 45 4.287 7.973 3.910 1.00 0.00 H new ATOM 0 HA ILE A 45 2.820 9.153 1.816 1.00 0.00 H new ATOM 0 HB ILE A 45 1.468 8.022 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.323 6.443 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.715 5.755 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.133 7.226 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.106 8.988 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.935 7.923 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.113 5.011 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.761 6.002 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.394 6.700 1.220 1.00 0.00 H new ATOM 719 N LYS A 46 2.712 10.525 4.854 1.00 0.00 N ATOM 720 CA LYS A 46 2.325 11.686 5.687 1.00 0.00 C ATOM 721 C LYS A 46 2.881 13.015 5.151 1.00 0.00 C ATOM 722 O LYS A 46 2.301 14.085 5.387 1.00 0.00 O ATOM 723 CB LYS A 46 2.766 11.483 7.181 1.00 0.00 C ATOM 724 CG LYS A 46 2.543 10.064 7.774 1.00 0.00 C ATOM 725 CD LYS A 46 1.137 9.501 7.481 1.00 0.00 C ATOM 726 CE LYS A 46 0.014 10.391 8.016 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.158 10.269 9.478 1.00 0.00 N ATOM 0 H LYS A 46 3.289 9.846 5.350 1.00 0.00 H new ATOM 0 HA LYS A 46 1.238 11.745 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.826 11.726 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.227 12.201 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.292 9.385 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.697 10.099 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.017 9.381 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.049 8.509 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.227 11.430 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.921 10.128 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.968 9.650 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.703 9.862 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.330 11.210 9.887 1.00 0.00 H new ATOM 741 N ARG A 47 3.999 12.916 4.430 1.00 0.00 N ATOM 742 CA ARG A 47 4.762 14.085 3.926 1.00 0.00 C ATOM 743 C ARG A 47 3.940 14.946 2.933 1.00 0.00 C ATOM 744 O ARG A 47 3.758 16.149 3.163 1.00 0.00 O ATOM 745 CB ARG A 47 6.096 13.640 3.266 1.00 0.00 C ATOM 746 CG ARG A 47 7.087 12.912 4.191 1.00 0.00 C ATOM 747 CD ARG A 47 7.505 13.747 5.415 1.00 0.00 C ATOM 748 NE ARG A 47 8.316 14.928 5.045 1.00 0.00 N ATOM 749 CZ ARG A 47 8.843 15.810 5.910 1.00 0.00 C ATOM 750 NH1 ARG A 47 8.628 15.703 7.214 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.573 16.813 5.457 1.00 0.00 N ATOM 0 H ARG A 47 4.413 12.020 4.171 1.00 0.00 H new ATOM 0 HA ARG A 47 4.984 14.705 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.864 12.986 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.590 14.522 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.637 11.980 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.977 12.646 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.613 14.075 5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.074 13.120 6.101 1.00 0.00 H new ATOM 0 HE ARG A 47 8.489 15.085 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.054 14.941 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.037 16.382 7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.734 16.915 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.976 17.486 6.109 1.00 0.00 H new ATOM 765 N ASN A 48 3.437 14.312 1.849 1.00 0.00 N ATOM 766 CA ASN A 48 2.765 15.036 0.723 1.00 0.00 C ATOM 767 C ASN A 48 2.182 14.043 -0.319 1.00 0.00 C ATOM 768 O ASN A 48 1.947 14.408 -1.470 1.00 0.00 O ATOM 769 CB ASN A 48 3.727 16.072 0.041 1.00 0.00 C ATOM 770 CG ASN A 48 3.028 17.072 -0.897 1.00 0.00 C ATOM 771 OD1 ASN A 48 1.898 17.491 -0.654 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.692 17.446 -1.985 1.00 0.00 N ATOM 0 H ASN A 48 3.479 13.301 1.722 1.00 0.00 H new ATOM 0 HA ASN A 48 1.934 15.596 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.251 16.628 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.482 15.528 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.265 18.097 -2.644 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.629 17.082 -2.161 1.00 0.00 H new ATOM 779 N SER A 49 1.969 12.784 0.090 1.00 0.00 N ATOM 780 CA SER A 49 1.499 11.712 -0.820 1.00 0.00 C ATOM 781 C SER A 49 0.101 12.000 -1.411 1.00 0.00 C ATOM 782 O SER A 49 -0.193 11.613 -2.547 1.00 0.00 O ATOM 783 CB SER A 49 1.482 10.392 -0.072 1.00 0.00 C ATOM 784 OG SER A 49 1.173 9.310 -0.912 1.00 0.00 O ATOM 0 H SER A 49 2.114 12.475 1.051 1.00 0.00 H new ATOM 0 HA SER A 49 2.193 11.666 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.455 10.225 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.751 10.443 0.735 1.00 0.00 H new ATOM 0 HG SER A 49 1.161 9.613 -1.844 1.00 0.00 H new ATOM 790 N ALA A 50 -0.750 12.678 -0.625 1.00 0.00 N ATOM 791 CA ALA A 50 -2.063 13.149 -1.089 1.00 0.00 C ATOM 792 C ALA A 50 -1.950 14.219 -2.217 1.00 0.00 C ATOM 793 O ALA A 50 -2.916 14.461 -2.947 1.00 0.00 O ATOM 794 CB ALA A 50 -2.877 13.661 0.106 1.00 0.00 C ATOM 0 H ALA A 50 -0.548 12.914 0.346 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.588 12.305 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.850 14.010 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.015 12.853 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.345 14.484 0.583 1.00 0.00 H new ATOM 800 N GLY A 51 -0.763 14.848 -2.329 1.00 0.00 N ATOM 801 CA GLY A 51 -0.434 15.754 -3.448 1.00 0.00 C ATOM 802 C GLY A 51 0.519 15.141 -4.480 1.00 0.00 C ATOM 803 O GLY A 51 0.815 15.781 -5.502 1.00 0.00 O ATOM 0 H GLY A 51 -0.009 14.743 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.357 16.048 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.015 16.663 -3.047 1.00 0.00 H new ATOM 807 N ALA A 52 1.003 13.912 -4.215 1.00 0.00 N ATOM 808 CA ALA A 52 1.951 13.189 -5.096 1.00 0.00 C ATOM 809 C ALA A 52 1.268 12.714 -6.391 1.00 0.00 C ATOM 810 O ALA A 52 0.169 12.182 -6.336 1.00 0.00 O ATOM 811 CB ALA A 52 2.526 11.979 -4.347 1.00 0.00 C ATOM 0 H ALA A 52 0.748 13.386 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 52 2.751 13.877 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.223 11.448 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.049 12.319 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.715 11.310 -4.060 1.00 0.00 H new ATOM 817 N ASP A 53 1.947 12.868 -7.542 1.00 0.00 N ATOM 818 CA ASP A 53 1.388 12.503 -8.872 1.00 0.00 C ATOM 819 C ASP A 53 1.175 10.970 -8.989 1.00 0.00 C ATOM 820 O ASP A 53 1.757 10.190 -8.233 1.00 0.00 O ATOM 821 CB ASP A 53 2.320 13.029 -10.005 1.00 0.00 C ATOM 822 CG ASP A 53 1.724 12.911 -11.424 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.981 13.824 -11.849 1.00 0.00 O ATOM 824 OD2 ASP A 53 1.990 11.908 -12.120 1.00 0.00 O ATOM 0 H ASP A 53 2.893 13.246 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 53 0.412 12.976 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.556 14.075 -9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.260 12.478 -9.971 1.00 0.00 H new ATOM 829 N THR A 54 0.296 10.550 -9.897 1.00 0.00 N ATOM 830 CA THR A 54 0.031 9.126 -10.164 1.00 0.00 C ATOM 831 C THR A 54 0.556 8.756 -11.574 1.00 0.00 C ATOM 832 O THR A 54 -0.093 9.019 -12.595 1.00 0.00 O ATOM 833 CB THR A 54 -1.499 8.850 -9.993 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.906 9.276 -8.679 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.883 7.375 -10.172 1.00 0.00 C ATOM 0 H THR A 54 -0.257 11.185 -10.473 1.00 0.00 H new ATOM 0 HA THR A 54 0.559 8.492 -9.452 1.00 0.00 H new ATOM 0 HB THR A 54 -2.008 9.409 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.865 9.108 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.959 7.260 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.604 7.045 -11.173 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.360 6.770 -9.431 1.00 0.00 H new ATOM 843 N VAL A 55 1.772 8.178 -11.594 1.00 0.00 N ATOM 844 CA VAL A 55 2.515 7.811 -12.819 1.00 0.00 C ATOM 845 C VAL A 55 2.258 6.334 -13.188 1.00 0.00 C ATOM 846 O VAL A 55 2.356 5.462 -12.338 1.00 0.00 O ATOM 847 CB VAL A 55 4.064 8.032 -12.597 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.898 7.625 -13.838 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.359 9.498 -12.192 1.00 0.00 C ATOM 0 H VAL A 55 2.279 7.947 -10.739 1.00 0.00 H new ATOM 0 HA VAL A 55 2.167 8.446 -13.634 1.00 0.00 H new ATOM 0 HB VAL A 55 4.367 7.378 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.956 7.795 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.735 6.569 -14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.591 8.224 -14.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.431 9.626 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.018 10.169 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.835 9.732 -11.265 1.00 0.00 H new ATOM 859 N ASP A 56 1.922 6.081 -14.460 1.00 0.00 N ATOM 860 CA ASP A 56 1.760 4.714 -15.011 1.00 0.00 C ATOM 861 C ASP A 56 2.930 4.340 -15.942 1.00 0.00 C ATOM 862 O ASP A 56 3.300 5.104 -16.833 1.00 0.00 O ATOM 863 CB ASP A 56 0.415 4.588 -15.768 1.00 0.00 C ATOM 864 CG ASP A 56 0.327 3.331 -16.649 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.500 2.208 -16.137 1.00 0.00 O ATOM 866 OD2 ASP A 56 0.114 3.461 -17.857 1.00 0.00 O ATOM 0 H ASP A 56 1.752 6.817 -15.145 1.00 0.00 H new ATOM 0 HA ASP A 56 1.760 4.018 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.401 4.574 -15.045 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.273 5.471 -16.392 1.00 0.00 H new ATOM 871 N LEU A 57 3.531 3.168 -15.681 1.00 0.00 N ATOM 872 CA LEU A 57 4.520 2.534 -16.569 1.00 0.00 C ATOM 873 C LEU A 57 3.900 1.392 -17.418 1.00 0.00 C ATOM 874 O LEU A 57 4.271 1.240 -18.586 1.00 0.00 O ATOM 875 CB LEU A 57 5.722 1.969 -15.742 1.00 0.00 C ATOM 876 CG LEU A 57 6.493 2.961 -14.799 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.858 4.287 -15.505 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.729 3.212 -13.485 1.00 0.00 C ATOM 0 H LEU A 57 3.342 2.627 -14.837 1.00 0.00 H new ATOM 0 HA LEU A 57 4.872 3.309 -17.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.351 1.146 -15.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.441 1.546 -16.443 1.00 0.00 H new ATOM 0 HG LEU A 57 7.434 2.473 -14.543 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.389 4.936 -14.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.495 4.078 -16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.947 4.783 -15.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.296 3.903 -12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.753 3.642 -13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.598 2.269 -12.955 1.00 0.00 H new ATOM 890 N THR A 58 2.912 0.641 -16.864 1.00 0.00 N ATOM 891 CA THR A 58 2.557 -0.715 -17.380 1.00 0.00 C ATOM 892 C THR A 58 1.701 -0.677 -18.662 1.00 0.00 C ATOM 893 O THR A 58 1.698 -1.655 -19.425 1.00 0.00 O ATOM 894 CB THR A 58 1.857 -1.612 -16.290 1.00 0.00 C ATOM 895 OG1 THR A 58 1.604 -2.939 -16.780 1.00 0.00 O ATOM 896 CG2 THR A 58 0.542 -1.024 -15.760 1.00 0.00 C ATOM 0 H THR A 58 2.350 0.944 -16.068 1.00 0.00 H new ATOM 0 HA THR A 58 3.513 -1.171 -17.638 1.00 0.00 H new ATOM 0 HB THR A 58 2.566 -1.647 -15.462 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.197 -3.574 -16.326 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.118 -1.696 -15.014 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.735 -0.052 -15.305 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.162 -0.906 -16.584 1.00 0.00 H new ATOM 904 N THR A 59 0.997 0.446 -18.928 1.00 0.00 N ATOM 905 CA THR A 59 0.085 0.557 -20.099 1.00 0.00 C ATOM 906 C THR A 59 0.400 1.824 -20.927 1.00 0.00 C ATOM 907 O THR A 59 -0.080 1.967 -22.060 1.00 0.00 O ATOM 908 CB THR A 59 -1.431 0.543 -19.677 1.00 0.00 C ATOM 909 OG1 THR A 59 -1.713 1.608 -18.765 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.841 -0.785 -19.020 1.00 0.00 C ATOM 0 H THR A 59 1.039 1.287 -18.353 1.00 0.00 H new ATOM 0 HA THR A 59 0.260 -0.322 -20.719 1.00 0.00 H new ATOM 0 HB THR A 59 -2.006 0.670 -20.594 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.896 2.123 -18.601 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.895 -0.745 -18.747 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.678 -1.603 -19.721 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.240 -0.949 -18.125 1.00 0.00 H new ATOM 961 N MET B 1 9.752 15.244 -7.351 1.00 0.00 N ATOM 962 CA MET B 1 8.868 14.843 -6.229 1.00 0.00 C ATOM 963 C MET B 1 8.527 13.349 -6.339 1.00 0.00 C ATOM 964 O MET B 1 8.513 12.791 -7.446 1.00 0.00 O ATOM 965 CB MET B 1 7.563 15.694 -6.227 1.00 0.00 C ATOM 966 CG MET B 1 6.623 15.460 -5.028 1.00 0.00 C ATOM 967 SD MET B 1 5.049 16.340 -5.170 1.00 0.00 S ATOM 968 CE MET B 1 5.581 18.054 -5.222 1.00 0.00 C ATOM 0 H1 MET B 1 9.479 16.189 -7.687 1.00 0.00 H new ATOM 0 H2 MET B 1 10.739 15.265 -7.025 1.00 0.00 H new ATOM 0 H3 MET B 1 9.658 14.560 -8.128 1.00 0.00 H new ATOM 0 HA MET B 1 9.394 15.020 -5.291 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.837 16.749 -6.252 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.012 15.486 -7.145 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.427 14.392 -4.932 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.126 15.775 -4.114 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.718 18.707 -5.094 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.297 18.237 -4.421 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.052 18.260 -6.183 1.00 0.00 H new ATOM 978 N TYR B 2 8.265 12.718 -5.178 1.00 0.00 N ATOM 979 CA TYR B 2 7.725 11.347 -5.097 1.00 0.00 C ATOM 980 C TYR B 2 6.322 11.249 -5.727 1.00 0.00 C ATOM 981 O TYR B 2 5.585 12.237 -5.819 1.00 0.00 O ATOM 982 CB TYR B 2 7.714 10.823 -3.626 1.00 0.00 C ATOM 983 CG TYR B 2 7.377 11.854 -2.531 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.200 12.601 -2.561 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.261 12.077 -1.469 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.924 13.530 -1.585 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.983 12.999 -0.493 1.00 0.00 C ATOM 988 CZ TYR B 2 6.819 13.724 -0.559 1.00 0.00 C ATOM 989 OH TYR B 2 6.558 14.668 0.396 1.00 0.00 O ATOM 0 H TYR B 2 8.423 13.147 -4.266 1.00 0.00 H new ATOM 0 HA TYR B 2 8.391 10.707 -5.675 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.994 10.007 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.695 10.401 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.494 12.448 -3.364 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.180 11.512 -1.417 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.010 14.104 -1.624 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.675 13.154 0.322 1.00 0.00 H new ATOM 0 HH TYR B 2 7.344 15.242 0.512 1.00 0.00 H new ATOM 999 N LYS B 3 5.974 10.020 -6.122 1.00 0.00 N ATOM 1000 CA LYS B 3 4.769 9.709 -6.900 1.00 0.00 C ATOM 1001 C LYS B 3 4.496 8.194 -6.866 1.00 0.00 C ATOM 1002 O LYS B 3 5.316 7.408 -6.359 1.00 0.00 O ATOM 1003 CB LYS B 3 4.871 10.265 -8.377 1.00 0.00 C ATOM 1004 CG LYS B 3 6.278 10.221 -9.033 1.00 0.00 C ATOM 1005 CD LYS B 3 6.821 8.790 -9.242 1.00 0.00 C ATOM 1006 CE LYS B 3 8.250 8.785 -9.793 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.347 9.480 -11.095 1.00 0.00 N ATOM 0 H LYS B 3 6.534 9.195 -5.905 1.00 0.00 H new ATOM 0 HA LYS B 3 3.919 10.214 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.183 9.698 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.525 11.299 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.236 10.728 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.977 10.778 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.798 8.253 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.167 8.252 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.916 9.265 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.591 7.756 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.302 9.351 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 7.646 9.084 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.162 10.495 -10.962 1.00 0.00 H new ATOM 1021 N PHE B 4 3.350 7.811 -7.433 1.00 0.00 N ATOM 1022 CA PHE B 4 2.868 6.429 -7.472 1.00 0.00 C ATOM 1023 C PHE B 4 3.195 5.815 -8.826 1.00 0.00 C ATOM 1024 O PHE B 4 2.615 6.200 -9.834 1.00 0.00 O ATOM 1025 CB PHE B 4 1.348 6.400 -7.199 1.00 0.00 C ATOM 1026 CG PHE B 4 1.007 6.798 -5.771 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.056 5.841 -4.759 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.677 8.119 -5.423 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.775 6.171 -3.459 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.405 8.444 -4.115 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.456 7.469 -3.140 1.00 0.00 C ATOM 0 H PHE B 4 2.717 8.468 -7.888 1.00 0.00 H new ATOM 0 HA PHE B 4 3.364 5.841 -6.699 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.844 7.075 -7.891 1.00 0.00 H new ATOM 0 HB3 PHE B 4 0.966 5.398 -7.395 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.320 4.823 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.637 8.882 -6.186 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.804 5.414 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.152 9.460 -3.851 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.243 7.729 -2.114 1.00 0.00 H new ATOM 1041 N GLU B 5 4.135 4.870 -8.830 1.00 0.00 N ATOM 1042 CA GLU B 5 4.576 4.186 -10.045 1.00 0.00 C ATOM 1043 C GLU B 5 3.768 2.894 -10.206 1.00 0.00 C ATOM 1044 O GLU B 5 3.952 1.943 -9.433 1.00 0.00 O ATOM 1045 CB GLU B 5 6.095 3.886 -9.988 1.00 0.00 C ATOM 1046 CG GLU B 5 7.003 5.123 -10.104 1.00 0.00 C ATOM 1047 CD GLU B 5 8.512 4.812 -10.057 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.908 3.723 -9.600 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.323 5.683 -10.442 1.00 0.00 O ATOM 0 H GLU B 5 4.614 4.556 -7.986 1.00 0.00 H new ATOM 0 HA GLU B 5 4.405 4.830 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.316 3.378 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.344 3.193 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.779 5.636 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.761 5.813 -9.296 1.00 0.00 H new ATOM 1056 N ILE B 6 2.882 2.872 -11.217 1.00 0.00 N ATOM 1057 CA ILE B 6 1.960 1.764 -11.473 1.00 0.00 C ATOM 1058 C ILE B 6 2.566 0.880 -12.549 1.00 0.00 C ATOM 1059 O ILE B 6 2.703 1.290 -13.704 1.00 0.00 O ATOM 1060 CB ILE B 6 0.558 2.257 -11.974 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.010 3.388 -11.055 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.444 1.067 -12.064 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.139 4.162 -11.661 1.00 0.00 C ATOM 0 H ILE B 6 2.789 3.637 -11.886 1.00 0.00 H new ATOM 0 HA ILE B 6 1.812 1.227 -10.536 1.00 0.00 H new ATOM 0 HB ILE B 6 0.677 2.670 -12.976 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.316 2.951 -10.111 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.820 4.080 -10.823 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.410 1.431 -12.413 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.062 0.322 -12.762 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.561 0.615 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.467 4.932 -10.963 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.813 4.629 -12.590 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.966 3.483 -11.867 1.00 0.00 H new ATOM 1075 N TYR B 7 2.912 -0.322 -12.171 1.00 0.00 N ATOM 1076 CA TYR B 7 3.475 -1.306 -13.073 1.00 0.00 C ATOM 1077 C TYR B 7 2.744 -2.634 -12.872 1.00 0.00 C ATOM 1078 O TYR B 7 1.820 -2.734 -12.064 1.00 0.00 O ATOM 1079 CB TYR B 7 5.006 -1.427 -12.846 1.00 0.00 C ATOM 1080 CG TYR B 7 5.430 -1.899 -11.445 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.421 -1.025 -10.354 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.846 -3.212 -11.222 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.809 -1.447 -9.102 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.236 -3.632 -9.970 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.217 -2.750 -8.917 1.00 0.00 C ATOM 1086 OH TYR B 7 6.616 -3.170 -7.673 1.00 0.00 O ATOM 0 H TYR B 7 2.811 -0.656 -11.212 1.00 0.00 H new ATOM 0 HA TYR B 7 3.337 -0.998 -14.110 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.412 -2.120 -13.583 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.462 -0.456 -13.037 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.105 -0.002 -10.495 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.862 -3.911 -12.045 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.794 -0.760 -8.269 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.556 -4.652 -9.816 1.00 0.00 H new ATOM 0 HH TYR B 7 6.872 -4.115 -7.713 1.00 0.00 H new ATOM 1096 N GLN B 8 3.127 -3.636 -13.648 1.00 0.00 N ATOM 1097 CA GLN B 8 2.803 -5.033 -13.342 1.00 0.00 C ATOM 1098 C GLN B 8 4.132 -5.779 -13.172 1.00 0.00 C ATOM 1099 O GLN B 8 5.124 -5.486 -13.858 1.00 0.00 O ATOM 1100 CB GLN B 8 1.875 -5.701 -14.410 1.00 0.00 C ATOM 1101 CG GLN B 8 2.582 -6.409 -15.579 1.00 0.00 C ATOM 1102 CD GLN B 8 1.609 -6.849 -16.677 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.344 -6.101 -17.616 1.00 0.00 O ATOM 1104 NE2 GLN B 8 1.039 -8.046 -16.550 1.00 0.00 N ATOM 0 H GLN B 8 3.668 -3.512 -14.504 1.00 0.00 H new ATOM 0 HA GLN B 8 2.220 -5.079 -12.422 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.239 -6.427 -13.904 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.219 -4.934 -14.821 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.328 -5.739 -16.007 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.116 -7.281 -15.201 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.280 -8.644 -15.760 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.362 -8.365 -17.243 1.00 0.00 H new ATOM 1113 N ASP B 9 4.141 -6.706 -12.227 1.00 0.00 N ATOM 1114 CA ASP B 9 5.304 -7.496 -11.863 1.00 0.00 C ATOM 1115 C ASP B 9 5.473 -8.634 -12.877 1.00 0.00 C ATOM 1116 O ASP B 9 4.523 -8.946 -13.595 1.00 0.00 O ATOM 1117 CB ASP B 9 5.084 -8.036 -10.424 1.00 0.00 C ATOM 1118 CG ASP B 9 6.223 -8.915 -9.896 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.274 -8.371 -9.505 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.078 -10.153 -9.874 1.00 0.00 O ATOM 0 H ASP B 9 3.314 -6.935 -11.676 1.00 0.00 H new ATOM 0 HA ASP B 9 6.215 -6.898 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.951 -7.191 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.158 -8.611 -10.402 1.00 0.00 H new ATOM 1125 N LYS B 10 6.686 -9.223 -12.911 1.00 0.00 N ATOM 1126 CA LYS B 10 7.066 -10.358 -13.782 1.00 0.00 C ATOM 1127 C LYS B 10 6.055 -11.529 -13.692 1.00 0.00 C ATOM 1128 O LYS B 10 5.778 -12.208 -14.684 1.00 0.00 O ATOM 1129 CB LYS B 10 8.493 -10.829 -13.408 1.00 0.00 C ATOM 1130 CG LYS B 10 9.064 -11.958 -14.293 1.00 0.00 C ATOM 1131 CD LYS B 10 10.426 -12.492 -13.785 1.00 0.00 C ATOM 1132 CE LYS B 10 11.503 -11.392 -13.714 1.00 0.00 C ATOM 1133 NZ LYS B 10 12.819 -11.918 -13.275 1.00 0.00 N ATOM 0 H LYS B 10 7.453 -8.913 -12.315 1.00 0.00 H new ATOM 0 HA LYS B 10 7.052 -10.016 -14.817 1.00 0.00 H new ATOM 0 HB2 LYS B 10 9.166 -9.973 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.487 -11.169 -12.372 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.349 -12.780 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.181 -11.590 -15.312 1.00 0.00 H new ATOM 0 HD2 LYS B 10 10.294 -12.931 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS B 10 10.769 -13.289 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS B 10 11.609 -10.927 -14.694 1.00 0.00 H new ATOM 0 HE3 LYS B 10 11.178 -10.613 -13.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 13.510 -11.141 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 12.726 -12.339 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.144 -12.643 -13.946 1.00 0.00 H new ATOM 1147 N ALA B 11 5.516 -11.739 -12.476 1.00 0.00 N ATOM 1148 CA ALA B 11 4.454 -12.739 -12.199 1.00 0.00 C ATOM 1149 C ALA B 11 3.070 -12.324 -12.793 1.00 0.00 C ATOM 1150 O ALA B 11 2.069 -13.014 -12.585 1.00 0.00 O ATOM 1151 CB ALA B 11 4.351 -12.947 -10.677 1.00 0.00 C ATOM 0 H ALA B 11 5.804 -11.218 -11.648 1.00 0.00 H new ATOM 0 HA ALA B 11 4.730 -13.673 -12.689 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.574 -13.680 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.306 -13.307 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.101 -12.001 -10.197 1.00 0.00 H new ATOM 1157 N GLY B 12 3.048 -11.216 -13.557 1.00 0.00 N ATOM 1158 CA GLY B 12 1.836 -10.645 -14.147 1.00 0.00 C ATOM 1159 C GLY B 12 0.910 -10.032 -13.113 1.00 0.00 C ATOM 1160 O GLY B 12 -0.314 -10.094 -13.252 1.00 0.00 O ATOM 0 H GLY B 12 3.891 -10.687 -13.782 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.116 -9.883 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY B 12 1.301 -11.423 -14.691 1.00 0.00 H new ATOM 1164 N GLU B 13 1.499 -9.407 -12.081 1.00 0.00 N ATOM 1165 CA GLU B 13 0.733 -8.908 -10.913 1.00 0.00 C ATOM 1166 C GLU B 13 0.699 -7.371 -10.903 1.00 0.00 C ATOM 1167 O GLU B 13 1.742 -6.736 -10.804 1.00 0.00 O ATOM 1168 CB GLU B 13 1.365 -9.437 -9.598 1.00 0.00 C ATOM 1169 CG GLU B 13 0.575 -9.082 -8.321 1.00 0.00 C ATOM 1170 CD GLU B 13 -0.785 -9.800 -8.212 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -1.789 -9.306 -8.774 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -0.853 -10.865 -7.559 1.00 0.00 O ATOM 0 H GLU B 13 2.502 -9.232 -12.026 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.291 -9.274 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.456 -10.521 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.375 -9.037 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.179 -9.334 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.410 -8.005 -8.294 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.504 -6.778 -10.877 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.654 -5.320 -11.039 1.00 0.00 C ATOM 1181 C TYR B 14 -0.418 -4.655 -9.684 1.00 0.00 C ATOM 1182 O TYR B 14 -1.229 -4.786 -8.780 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.030 -4.922 -11.654 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.077 -5.090 -13.183 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.528 -4.116 -14.023 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.628 -6.224 -13.783 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.536 -4.267 -15.399 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.630 -6.380 -15.157 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.086 -5.402 -15.960 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.082 -5.563 -17.332 1.00 0.00 O ATOM 0 H TYR B 14 -1.383 -7.279 -10.746 1.00 0.00 H new ATOM 0 HA TYR B 14 0.089 -4.966 -11.754 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.813 -5.531 -11.203 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.248 -3.884 -11.401 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.089 -3.229 -13.590 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.061 -6.994 -13.162 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.114 -3.500 -16.031 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.058 -7.267 -15.600 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.506 -6.416 -17.563 1.00 0.00 H new ATOM 1200 N ARG B 15 0.701 -3.923 -9.598 1.00 0.00 N ATOM 1201 CA ARG B 15 1.250 -3.371 -8.352 1.00 0.00 C ATOM 1202 C ARG B 15 1.646 -1.913 -8.559 1.00 0.00 C ATOM 1203 O ARG B 15 2.283 -1.582 -9.554 1.00 0.00 O ATOM 1204 CB ARG B 15 2.488 -4.196 -7.920 1.00 0.00 C ATOM 1205 CG ARG B 15 2.166 -5.633 -7.482 1.00 0.00 C ATOM 1206 CD ARG B 15 3.420 -6.481 -7.252 1.00 0.00 C ATOM 1207 NE ARG B 15 3.143 -7.629 -6.363 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.053 -8.295 -5.633 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.352 -8.028 -5.740 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.654 -9.250 -4.801 1.00 0.00 N ATOM 0 H ARG B 15 1.265 -3.692 -10.416 1.00 0.00 H new ATOM 0 HA ARG B 15 0.491 -3.424 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.195 -4.231 -8.749 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.985 -3.681 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.579 -5.605 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.546 -6.109 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.796 -6.843 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.204 -5.862 -6.815 1.00 0.00 H new ATOM 0 HE ARG B 15 2.175 -7.943 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.673 -7.306 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.027 -8.545 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.662 -9.474 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.339 -9.760 -4.244 1.00 0.00 H new ATOM 1224 N PHE B 16 1.280 -1.046 -7.606 1.00 0.00 N ATOM 1225 CA PHE B 16 1.772 0.332 -7.562 1.00 0.00 C ATOM 1226 C PHE B 16 2.677 0.466 -6.347 1.00 0.00 C ATOM 1227 O PHE B 16 2.449 -0.177 -5.306 1.00 0.00 O ATOM 1228 CB PHE B 16 0.627 1.399 -7.563 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.243 1.529 -6.296 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.155 2.316 -5.210 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.481 0.905 -6.214 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.652 2.453 -4.094 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.284 1.038 -5.093 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.871 1.813 -4.033 1.00 0.00 C ATOM 0 H PHE B 16 0.638 -1.281 -6.849 1.00 0.00 H new ATOM 0 HA PHE B 16 2.333 0.536 -8.474 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.077 2.372 -7.760 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -0.034 1.178 -8.401 1.00 0.00 H new ATOM 0 HD1 PHE B 16 1.107 2.825 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.825 0.303 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.325 3.065 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.237 0.532 -5.051 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.498 1.919 -3.160 1.00 0.00 H new ATOM 1244 N ARG B 17 3.716 1.270 -6.500 1.00 0.00 N ATOM 1245 CA ARG B 17 4.653 1.592 -5.431 1.00 0.00 C ATOM 1246 C ARG B 17 4.644 3.101 -5.197 1.00 0.00 C ATOM 1247 O ARG B 17 4.126 3.859 -6.026 1.00 0.00 O ATOM 1248 CB ARG B 17 6.080 1.098 -5.795 1.00 0.00 C ATOM 1249 CG ARG B 17 6.682 1.688 -7.087 1.00 0.00 C ATOM 1250 CD ARG B 17 8.143 1.238 -7.316 1.00 0.00 C ATOM 1251 NE ARG B 17 8.284 -0.232 -7.297 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.447 -0.900 -7.303 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.608 -0.259 -7.232 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.438 -2.217 -7.352 1.00 0.00 N ATOM 0 H ARG B 17 3.938 1.726 -7.385 1.00 0.00 H new ATOM 0 HA ARG B 17 4.349 1.086 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.748 1.331 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.056 0.012 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.074 1.385 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.643 2.776 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.494 1.622 -8.274 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.780 1.672 -6.546 1.00 0.00 H new ATOM 0 HE ARG B 17 7.427 -0.784 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.626 0.759 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.482 -0.785 -7.238 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.551 -2.720 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.318 -2.733 -7.357 1.00 0.00 H new ATOM 1268 N PHE B 18 5.225 3.534 -4.078 1.00 0.00 N ATOM 1269 CA PHE B 18 5.376 4.962 -3.767 1.00 0.00 C ATOM 1270 C PHE B 18 6.851 5.229 -3.508 1.00 0.00 C ATOM 1271 O PHE B 18 7.547 4.423 -2.866 1.00 0.00 O ATOM 1272 CB PHE B 18 4.490 5.388 -2.572 1.00 0.00 C ATOM 1273 CG PHE B 18 4.509 6.878 -2.233 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.356 7.839 -3.227 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.653 7.313 -0.918 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.359 9.180 -2.918 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.652 8.653 -0.610 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.508 9.588 -1.611 1.00 0.00 C ATOM 0 H PHE B 18 5.603 2.912 -3.363 1.00 0.00 H new ATOM 0 HA PHE B 18 5.036 5.563 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.462 5.095 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.806 4.829 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.233 7.529 -4.254 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.767 6.586 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.244 9.914 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.764 8.972 0.416 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.512 10.641 -1.371 1.00 0.00 H new ATOM 1288 N LYS B 19 7.319 6.333 -4.071 1.00 0.00 N ATOM 1289 CA LYS B 19 8.730 6.706 -4.078 1.00 0.00 C ATOM 1290 C LYS B 19 9.051 7.707 -2.954 1.00 0.00 C ATOM 1291 O LYS B 19 8.189 8.043 -2.130 1.00 0.00 O ATOM 1292 CB LYS B 19 9.072 7.275 -5.484 1.00 0.00 C ATOM 1293 CG LYS B 19 8.757 6.274 -6.626 1.00 0.00 C ATOM 1294 CD LYS B 19 9.544 4.943 -6.465 1.00 0.00 C ATOM 1295 CE LYS B 19 11.032 5.086 -6.812 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.261 5.137 -8.277 1.00 0.00 N ATOM 0 H LYS B 19 6.720 7.009 -4.545 1.00 0.00 H new ATOM 0 HA LYS B 19 9.349 5.830 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.509 8.194 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.129 7.538 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.688 6.064 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.005 6.728 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.447 4.591 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.098 4.183 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.426 5.993 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.585 4.248 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.272 4.995 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.709 4.388 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.963 6.064 -8.643 1.00 0.00 H new ATOM 1310 N ALA B 20 10.322 8.140 -2.916 1.00 0.00 N ATOM 1311 CA ALA B 20 10.828 9.168 -1.995 1.00 0.00 C ATOM 1312 C ALA B 20 11.435 10.317 -2.833 1.00 0.00 C ATOM 1313 O ALA B 20 11.029 10.515 -3.987 1.00 0.00 O ATOM 1314 CB ALA B 20 11.822 8.533 -1.003 1.00 0.00 C ATOM 0 H ALA B 20 11.042 7.776 -3.540 1.00 0.00 H new ATOM 0 HA ALA B 20 10.028 9.593 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.195 9.298 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.318 7.753 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.657 8.098 -1.553 1.00 0.00 H new ATOM 1320 N SER B 21 12.429 11.047 -2.295 1.00 0.00 N ATOM 1321 CA SER B 21 12.899 12.316 -2.896 1.00 0.00 C ATOM 1322 C SER B 21 14.086 12.064 -3.858 1.00 0.00 C ATOM 1323 O SER B 21 14.291 12.812 -4.823 1.00 0.00 O ATOM 1324 CB SER B 21 13.282 13.303 -1.769 1.00 0.00 C ATOM 1325 OG SER B 21 14.141 12.707 -0.804 1.00 0.00 O ATOM 0 H SER B 21 12.925 10.782 -1.444 1.00 0.00 H new ATOM 0 HA SER B 21 12.096 12.756 -3.488 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.774 14.174 -2.202 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.377 13.660 -1.277 1.00 0.00 H new ATOM 0 HG SER B 21 14.360 13.364 -0.111 1.00 0.00 H new ATOM 1331 N ASN B 22 14.848 10.983 -3.592 1.00 0.00 N ATOM 1332 CA ASN B 22 16.050 10.599 -4.375 1.00 0.00 C ATOM 1333 C ASN B 22 15.750 9.421 -5.323 1.00 0.00 C ATOM 1334 O ASN B 22 16.677 8.808 -5.877 1.00 0.00 O ATOM 1335 CB ASN B 22 17.210 10.209 -3.416 1.00 0.00 C ATOM 1336 CG ASN B 22 17.602 11.308 -2.429 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.499 12.498 -2.718 1.00 0.00 O ATOM 1338 ND2 ASN B 22 18.061 10.914 -1.254 1.00 0.00 N ATOM 0 H ASN B 22 14.648 10.344 -2.822 1.00 0.00 H new ATOM 0 HA ASN B 22 16.343 11.459 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.920 9.320 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.084 9.941 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN B 22 18.341 11.605 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.135 9.919 -1.043 1.00 0.00 H new ATOM 1345 N GLY B 23 14.454 9.136 -5.544 1.00 0.00 N ATOM 1346 CA GLY B 23 14.033 7.960 -6.308 1.00 0.00 C ATOM 1347 C GLY B 23 14.124 6.661 -5.509 1.00 0.00 C ATOM 1348 O GLY B 23 14.199 5.576 -6.095 1.00 0.00 O ATOM 0 H GLY B 23 13.683 9.709 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.006 8.101 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY B 23 14.652 7.874 -7.201 1.00 0.00 H new ATOM 1352 N GLU B 24 14.113 6.778 -4.166 1.00 0.00 N ATOM 1353 CA GLU B 24 14.050 5.613 -3.255 1.00 0.00 C ATOM 1354 C GLU B 24 12.607 5.070 -3.230 1.00 0.00 C ATOM 1355 O GLU B 24 11.679 5.840 -3.434 1.00 0.00 O ATOM 1356 CB GLU B 24 14.481 6.029 -1.824 1.00 0.00 C ATOM 1357 CG GLU B 24 15.800 6.828 -1.739 1.00 0.00 C ATOM 1358 CD GLU B 24 17.043 6.011 -2.117 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.592 5.309 -1.242 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.466 6.052 -3.291 1.00 0.00 O ATOM 0 H GLU B 24 14.147 7.676 -3.683 1.00 0.00 H new ATOM 0 HA GLU B 24 14.728 4.838 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.684 6.627 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.580 5.130 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.732 7.695 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU B 24 15.920 7.207 -0.724 1.00 0.00 H new ATOM 1367 N THR B 25 12.414 3.757 -3.014 1.00 0.00 N ATOM 1368 CA THR B 25 11.055 3.166 -2.864 1.00 0.00 C ATOM 1369 C THR B 25 10.843 2.722 -1.409 1.00 0.00 C ATOM 1370 O THR B 25 11.731 2.114 -0.797 1.00 0.00 O ATOM 1371 CB THR B 25 10.821 1.963 -3.841 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.094 2.360 -5.189 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.389 1.399 -3.757 1.00 0.00 C ATOM 0 H THR B 25 13.173 3.080 -2.938 1.00 0.00 H new ATOM 0 HA THR B 25 10.327 3.934 -3.124 1.00 0.00 H new ATOM 0 HB THR B 25 11.506 1.173 -3.534 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.697 1.710 -5.606 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.284 0.568 -4.455 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.195 1.048 -2.743 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.674 2.181 -4.013 1.00 0.00 H new ATOM 1381 N MET B 26 9.656 3.028 -0.878 1.00 0.00 N ATOM 1382 CA MET B 26 9.302 2.806 0.538 1.00 0.00 C ATOM 1383 C MET B 26 8.193 1.744 0.699 1.00 0.00 C ATOM 1384 O MET B 26 8.131 1.080 1.736 1.00 0.00 O ATOM 1385 CB MET B 26 8.959 4.165 1.214 1.00 0.00 C ATOM 1386 CG MET B 26 8.112 5.125 0.363 1.00 0.00 C ATOM 1387 SD MET B 26 6.491 4.466 -0.034 1.00 0.00 S ATOM 1388 CE MET B 26 5.781 4.425 1.590 1.00 0.00 C ATOM 0 H MET B 26 8.899 3.443 -1.422 1.00 0.00 H new ATOM 0 HA MET B 26 10.166 2.391 1.058 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.428 3.966 2.145 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.890 4.666 1.479 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.994 6.068 0.898 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.644 5.348 -0.562 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.126 3.559 1.679 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.576 4.356 2.333 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.205 5.335 1.758 1.00 0.00 H new ATOM 1398 N PHE B 27 7.320 1.575 -0.310 1.00 0.00 N ATOM 1399 CA PHE B 27 6.448 0.381 -0.393 1.00 0.00 C ATOM 1400 C PHE B 27 6.176 0.013 -1.843 1.00 0.00 C ATOM 1401 O PHE B 27 6.387 0.802 -2.757 1.00 0.00 O ATOM 1402 CB PHE B 27 5.085 0.517 0.393 1.00 0.00 C ATOM 1403 CG PHE B 27 3.894 1.170 -0.351 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.693 2.526 -0.306 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.979 0.407 -1.088 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.648 3.131 -0.949 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.921 1.009 -1.748 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.758 2.379 -1.675 1.00 0.00 C ATOM 0 H PHE B 27 7.197 2.240 -1.074 1.00 0.00 H new ATOM 0 HA PHE B 27 7.004 -0.418 0.098 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.778 -0.480 0.710 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.274 1.095 1.298 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.383 3.137 0.256 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.100 -0.665 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.523 4.202 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.226 0.410 -2.318 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.935 2.856 -2.186 1.00 0.00 H new ATOM 1418 N SER B 28 5.676 -1.201 -1.982 1.00 0.00 N ATOM 1419 CA SER B 28 5.089 -1.743 -3.199 1.00 0.00 C ATOM 1420 C SER B 28 3.899 -2.581 -2.749 1.00 0.00 C ATOM 1421 O SER B 28 3.933 -3.163 -1.654 1.00 0.00 O ATOM 1422 CB SER B 28 6.107 -2.589 -3.987 1.00 0.00 C ATOM 1423 OG SER B 28 5.496 -3.225 -5.096 1.00 0.00 O ATOM 0 H SER B 28 5.667 -1.871 -1.213 1.00 0.00 H new ATOM 0 HA SER B 28 4.779 -0.948 -3.877 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.922 -1.953 -4.333 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.546 -3.340 -3.330 1.00 0.00 H new ATOM 0 HG SER B 28 6.044 -3.085 -5.896 1.00 0.00 H new ATOM 1429 N SER B 29 2.838 -2.616 -3.551 1.00 0.00 N ATOM 1430 CA SER B 29 1.629 -3.358 -3.212 1.00 0.00 C ATOM 1431 C SER B 29 1.839 -4.859 -3.484 1.00 0.00 C ATOM 1432 O SER B 29 2.727 -5.240 -4.256 1.00 0.00 O ATOM 1433 CB SER B 29 0.432 -2.811 -4.016 1.00 0.00 C ATOM 1434 OG SER B 29 -0.763 -3.480 -3.671 1.00 0.00 O ATOM 0 H SER B 29 2.793 -2.134 -4.449 1.00 0.00 H new ATOM 0 HA SER B 29 1.413 -3.231 -2.151 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.321 -1.743 -3.828 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.623 -2.928 -5.083 1.00 0.00 H new ATOM 0 HG SER B 29 -0.710 -3.785 -2.741 1.00 0.00 H new ATOM 1440 N GLU B 30 1.031 -5.702 -2.816 1.00 0.00 N ATOM 1441 CA GLU B 30 0.976 -7.151 -3.094 1.00 0.00 C ATOM 1442 C GLU B 30 0.287 -7.406 -4.458 1.00 0.00 C ATOM 1443 O GLU B 30 0.500 -8.448 -5.089 1.00 0.00 O ATOM 1444 CB GLU B 30 0.233 -7.901 -1.966 1.00 0.00 C ATOM 1445 CG GLU B 30 -1.253 -7.516 -1.809 1.00 0.00 C ATOM 1446 CD GLU B 30 -2.054 -8.543 -0.998 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.338 -9.632 -1.533 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -2.396 -8.278 0.169 1.00 0.00 O ATOM 0 H GLU B 30 0.401 -5.402 -2.072 1.00 0.00 H new ATOM 0 HA GLU B 30 1.996 -7.532 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU B 30 0.299 -8.972 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU B 30 0.745 -7.712 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -1.321 -6.543 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -1.702 -7.411 -2.797 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.524 -6.418 -4.889 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.130 -6.406 -6.221 1.00 0.00 C ATOM 1457 C GLY B 31 -2.650 -6.511 -6.219 1.00 0.00 C ATOM 1458 O GLY B 31 -3.214 -7.226 -7.049 1.00 0.00 O ATOM 0 H GLY B 31 -0.772 -5.610 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.842 -5.486 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -0.721 -7.233 -6.801 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.272 -5.766 -5.274 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.749 -5.504 -5.121 1.00 0.00 C ATOM 1464 C TYR B 32 -5.705 -6.298 -6.062 1.00 0.00 C ATOM 1465 O TYR B 32 -6.439 -7.175 -5.591 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.019 -3.962 -5.186 1.00 0.00 C ATOM 1467 CG TYR B 32 -4.108 -3.260 -6.185 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -2.864 -2.784 -5.790 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -4.443 -3.178 -7.527 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -1.996 -2.248 -6.696 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -3.581 -2.637 -8.421 1.00 0.00 C ATOM 1472 CZ TYR B 32 -2.360 -2.179 -8.006 1.00 0.00 C ATOM 1473 OH TYR B 32 -1.511 -1.628 -8.928 1.00 0.00 O ATOM 0 H TYR B 32 -2.734 -5.296 -4.546 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.004 -5.900 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -6.059 -3.788 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -4.874 -3.527 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -2.580 -2.839 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -5.400 -3.549 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -1.031 -1.883 -6.377 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -3.858 -2.567 -9.463 1.00 0.00 H new ATOM 0 HH TYR B 32 -1.666 -2.041 -9.803 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.662 -6.015 -7.385 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.593 -6.607 -8.365 1.00 0.00 C ATOM 1485 C LYS B 33 -6.126 -6.340 -9.817 1.00 0.00 C ATOM 1486 O LYS B 33 -5.668 -7.255 -10.505 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.047 -6.072 -8.141 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.122 -6.679 -9.076 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.178 -8.221 -8.994 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.234 -8.828 -9.929 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.256 -10.306 -9.849 1.00 0.00 N ATOM 0 H LYS B 33 -4.984 -5.374 -7.798 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.597 -7.686 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.334 -6.267 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.043 -4.990 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.098 -6.269 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.915 -6.381 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.199 -8.630 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.394 -8.518 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.217 -8.435 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.029 -8.523 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.982 -10.678 -10.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.325 -10.682 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.477 -10.598 -8.875 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.217 -5.069 -10.266 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.042 -4.702 -11.700 1.00 0.00 C ATOM 1507 C ALA B 34 -5.541 -3.259 -11.836 1.00 0.00 C ATOM 1508 O ALA B 34 -5.427 -2.560 -10.833 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.375 -4.889 -12.445 1.00 0.00 C ATOM 0 H ALA B 34 -6.411 -4.273 -9.658 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.292 -5.356 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.247 -4.620 -13.494 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.689 -5.930 -12.373 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.135 -4.249 -11.997 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.280 -2.795 -13.078 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.765 -1.440 -13.357 1.00 0.00 C ATOM 1517 C LYS B 35 -5.798 -0.358 -12.975 1.00 0.00 C ATOM 1518 O LYS B 35 -5.461 0.618 -12.303 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.394 -1.380 -14.873 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.094 0.011 -15.477 1.00 0.00 C ATOM 1521 CD LYS B 35 -3.017 0.790 -14.707 1.00 0.00 C ATOM 1522 CE LYS B 35 -2.639 2.103 -15.399 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.809 2.963 -15.715 1.00 0.00 N ATOM 0 H LYS B 35 -5.422 -3.355 -13.919 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.881 -1.238 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.520 -2.012 -15.031 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.214 -1.823 -15.438 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.774 -0.112 -16.512 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.013 0.597 -15.495 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -3.377 1.003 -13.700 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -2.128 0.168 -14.603 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -1.952 2.657 -14.759 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -2.104 1.878 -16.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.559 3.960 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -4.083 2.825 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -4.606 2.706 -15.098 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.042 -0.534 -13.427 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.165 0.350 -13.052 1.00 0.00 C ATOM 1539 C ALA B 36 -8.335 0.419 -11.522 1.00 0.00 C ATOM 1540 O ALA B 36 -8.475 1.509 -10.945 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.449 -0.129 -13.737 1.00 0.00 C ATOM 0 H ALA B 36 -7.306 -1.288 -14.061 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.945 1.362 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.276 0.525 -13.459 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.315 -0.104 -14.818 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.671 -1.149 -13.422 1.00 0.00 H new ATOM 1547 N SER B 37 -8.233 -0.757 -10.878 1.00 0.00 N ATOM 1548 CA SER B 37 -8.328 -0.895 -9.416 1.00 0.00 C ATOM 1549 C SER B 37 -7.133 -0.221 -8.711 1.00 0.00 C ATOM 1550 O SER B 37 -7.249 0.187 -7.550 1.00 0.00 O ATOM 1551 CB SER B 37 -8.403 -2.385 -9.036 1.00 0.00 C ATOM 1552 OG SER B 37 -9.446 -3.035 -9.744 1.00 0.00 O ATOM 0 H SER B 37 -8.082 -1.643 -11.361 1.00 0.00 H new ATOM 0 HA SER B 37 -9.236 -0.393 -9.083 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.452 -2.869 -9.256 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.570 -2.483 -7.963 1.00 0.00 H new ATOM 0 HG SER B 37 -9.689 -3.864 -9.281 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.997 -0.096 -9.439 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.783 0.560 -8.933 1.00 0.00 C ATOM 1560 C ALA B 38 -5.020 2.043 -8.735 1.00 0.00 C ATOM 1561 O ALA B 38 -4.752 2.554 -7.663 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.595 0.348 -9.880 1.00 0.00 C ATOM 0 H ALA B 38 -5.904 -0.449 -10.391 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.543 0.104 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.714 0.846 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.395 -0.719 -9.980 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.831 0.766 -10.859 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.509 2.728 -9.788 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.832 4.171 -9.728 1.00 0.00 C ATOM 1570 C ILE B 39 -6.842 4.464 -8.612 1.00 0.00 C ATOM 1571 O ILE B 39 -6.598 5.348 -7.801 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.354 4.736 -11.120 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -5.175 4.894 -12.136 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -7.100 6.089 -10.976 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.517 3.609 -12.558 1.00 0.00 C ATOM 0 H ILE B 39 -5.691 2.303 -10.697 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.901 4.690 -9.500 1.00 0.00 H new ATOM 0 HB ILE B 39 -7.067 4.003 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.548 5.401 -13.025 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.419 5.542 -11.693 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.434 6.427 -11.957 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.964 5.961 -10.323 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.428 6.831 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.714 3.826 -13.262 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.107 3.106 -11.683 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.253 2.963 -13.036 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.948 3.688 -8.568 1.00 0.00 N ATOM 1588 CA HIS B 40 -9.018 3.859 -7.551 1.00 0.00 C ATOM 1589 C HIS B 40 -8.454 3.723 -6.121 1.00 0.00 C ATOM 1590 O HIS B 40 -8.822 4.496 -5.205 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.185 2.862 -7.797 1.00 0.00 C ATOM 1592 CG HIS B 40 -11.119 3.283 -8.905 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.264 4.020 -8.686 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.063 3.091 -10.245 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.872 4.249 -9.834 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -12.160 3.698 -10.793 1.00 0.00 N ATOM 0 H HIS B 40 -8.126 2.931 -9.228 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.418 4.868 -7.651 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.770 1.883 -8.036 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.756 2.750 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.293 2.557 -10.782 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.795 4.795 -9.964 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.389 3.720 -11.787 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.524 2.771 -5.953 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.764 2.610 -4.716 1.00 0.00 C ATOM 1607 C ALA B 41 -5.962 3.891 -4.422 1.00 0.00 C ATOM 1608 O ALA B 41 -6.166 4.519 -3.399 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.851 1.371 -4.808 1.00 0.00 C ATOM 0 H ALA B 41 -7.281 2.093 -6.675 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.452 2.449 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.290 1.263 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.460 0.482 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.157 1.492 -5.639 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.127 4.313 -5.370 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.295 5.524 -5.236 1.00 0.00 C ATOM 1617 C ILE B 42 -5.158 6.782 -4.975 1.00 0.00 C ATOM 1618 O ILE B 42 -4.712 7.715 -4.308 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.405 5.726 -6.508 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.485 4.487 -6.722 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.568 7.023 -6.423 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.870 4.388 -8.096 1.00 0.00 C ATOM 0 H ILE B 42 -5.003 3.828 -6.259 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.645 5.382 -4.373 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.068 5.826 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.685 4.513 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.065 3.584 -6.533 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.964 7.126 -7.325 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.234 7.881 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.914 6.978 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.247 3.496 -8.152 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.660 4.326 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.259 5.270 -8.285 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.421 6.759 -5.436 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.356 7.877 -5.241 1.00 0.00 C ATOM 1636 C GLU B 43 -7.687 8.033 -3.754 1.00 0.00 C ATOM 1637 O GLU B 43 -7.844 9.161 -3.284 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.653 7.713 -6.075 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.479 7.907 -7.594 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.804 7.815 -8.367 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.557 8.814 -8.393 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -10.110 6.747 -8.943 1.00 0.00 O ATOM 0 H GLU B 43 -6.818 5.972 -5.949 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.863 8.782 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.059 6.718 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.392 8.429 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.023 8.879 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.790 7.153 -7.974 1.00 0.00 H new ATOM 1649 N SER B 44 -7.744 6.892 -3.018 1.00 0.00 N ATOM 1650 CA SER B 44 -7.833 6.897 -1.535 1.00 0.00 C ATOM 1651 C SER B 44 -6.702 7.717 -0.904 1.00 0.00 C ATOM 1652 O SER B 44 -6.923 8.445 0.079 1.00 0.00 O ATOM 1653 CB SER B 44 -7.760 5.463 -0.967 1.00 0.00 C ATOM 1654 OG SER B 44 -8.972 4.759 -1.163 1.00 0.00 O ATOM 0 H SER B 44 -7.730 5.958 -3.428 1.00 0.00 H new ATOM 0 HA SER B 44 -8.793 7.348 -1.286 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.944 4.923 -1.447 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.532 5.505 0.098 1.00 0.00 H new ATOM 0 HG SER B 44 -9.338 4.490 -0.295 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.488 7.586 -1.479 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.306 8.232 -0.922 1.00 0.00 C ATOM 1662 C ILE B 45 -4.431 9.753 -1.101 1.00 0.00 C ATOM 1663 O ILE B 45 -4.125 10.530 -0.187 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.926 7.735 -1.529 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.931 6.217 -1.904 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.813 7.996 -0.500 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.922 5.254 -0.734 1.00 0.00 C ATOM 0 H ILE B 45 -5.313 7.040 -2.323 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.279 7.953 0.131 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.757 8.290 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.813 6.014 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.060 6.012 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.858 7.659 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.760 9.063 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.031 7.451 0.418 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.926 4.229 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.027 5.418 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.806 5.420 -0.119 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.918 10.159 -2.288 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.059 11.584 -2.665 1.00 0.00 C ATOM 1681 C LYS B 46 -6.051 12.340 -1.766 1.00 0.00 C ATOM 1682 O LYS B 46 -5.949 13.564 -1.604 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.480 11.741 -4.170 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.840 10.760 -5.199 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.332 10.479 -4.988 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.471 11.730 -4.940 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.513 12.499 -6.202 1.00 0.00 N ATOM 0 H LYS B 46 -5.225 9.512 -3.014 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.075 12.030 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.563 11.633 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.243 12.758 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.379 9.814 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.982 11.166 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.203 9.926 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.976 9.836 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.806 12.366 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.440 11.449 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.550 12.595 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -3.110 12.000 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.909 13.443 -6.020 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.990 11.584 -1.190 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.110 12.134 -0.388 1.00 0.00 C ATOM 1703 C ARG B 47 -7.619 12.879 0.880 1.00 0.00 C ATOM 1704 O ARG B 47 -7.931 14.062 1.063 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.125 11.019 0.017 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.803 10.275 -1.149 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.521 11.208 -2.143 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.000 10.475 -3.337 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.720 10.808 -4.610 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -10.012 11.899 -4.876 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.163 10.056 -5.606 1.00 0.00 N ATOM 0 H ARG B 47 -7.003 10.567 -1.262 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.614 12.857 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.605 10.288 0.636 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.901 11.468 0.637 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.051 9.696 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.524 9.564 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.366 11.687 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.841 12.002 -2.452 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.587 9.655 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.678 12.489 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.802 12.148 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.717 9.223 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.950 10.310 -6.571 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.842 12.170 1.736 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.423 12.695 3.071 1.00 0.00 C ATOM 1727 C ASN B 48 -5.433 11.733 3.772 1.00 0.00 C ATOM 1728 O ASN B 48 -5.284 11.767 4.991 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.654 13.016 3.988 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.371 14.097 5.048 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.595 15.282 4.819 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -6.845 13.701 6.200 1.00 0.00 N ATOM 0 H ASN B 48 -6.491 11.235 1.531 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.901 13.636 2.894 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.486 13.341 3.363 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.970 12.102 4.490 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -6.617 14.387 6.919 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -6.668 12.710 6.366 1.00 0.00 H new ATOM 1739 N SER B 49 -4.777 10.856 2.999 1.00 0.00 N ATOM 1740 CA SER B 49 -3.867 9.817 3.539 1.00 0.00 C ATOM 1741 C SER B 49 -2.655 10.420 4.285 1.00 0.00 C ATOM 1742 O SER B 49 -2.156 9.836 5.254 1.00 0.00 O ATOM 1743 CB SER B 49 -3.390 8.928 2.403 1.00 0.00 C ATOM 1744 OG SER B 49 -2.627 7.833 2.844 1.00 0.00 O ATOM 0 H SER B 49 -4.857 10.841 1.982 1.00 0.00 H new ATOM 0 HA SER B 49 -4.428 9.232 4.268 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.254 8.562 1.849 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.795 9.522 1.710 1.00 0.00 H new ATOM 0 HG SER B 49 -2.641 7.798 3.823 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.190 11.587 3.814 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.134 12.359 4.494 1.00 0.00 C ATOM 1752 C ALA B 50 -1.575 12.870 5.893 1.00 0.00 C ATOM 1753 O ALA B 50 -0.733 13.236 6.719 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.682 13.507 3.588 1.00 0.00 C ATOM 0 H ALA B 50 -2.531 12.022 2.957 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.290 11.694 4.677 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.099 14.080 4.088 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.293 13.102 2.654 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.530 14.158 3.376 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.898 12.913 6.131 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.469 13.212 7.453 1.00 0.00 C ATOM 1762 C GLY B 51 -4.049 11.982 8.168 1.00 0.00 C ATOM 1763 O GLY B 51 -4.508 12.090 9.311 1.00 0.00 O ATOM 0 H GLY B 51 -3.600 12.741 5.411 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.696 13.655 8.081 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.255 13.959 7.339 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.035 10.818 7.486 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.568 9.541 8.025 1.00 0.00 C ATOM 1769 C ALA B 52 -3.668 8.972 9.136 1.00 0.00 C ATOM 1770 O ALA B 52 -2.453 8.953 8.984 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.692 8.520 6.890 1.00 0.00 C ATOM 0 H ALA B 52 -3.654 10.733 6.544 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.548 9.741 8.459 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.083 7.582 7.285 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.370 8.904 6.128 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.711 8.346 6.448 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.273 8.473 10.227 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.521 7.946 11.394 1.00 0.00 C ATOM 1779 C ASP B 53 -2.729 6.666 11.029 1.00 0.00 C ATOM 1780 O ASP B 53 -3.016 6.009 10.034 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.494 7.685 12.576 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.774 7.313 13.889 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.180 8.213 14.518 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.784 6.130 14.285 1.00 0.00 O ATOM 0 H ASP B 53 -5.286 8.421 10.332 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.792 8.696 11.700 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.100 8.576 12.742 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.177 6.881 12.304 1.00 0.00 H new ATOM 1789 N THR B 54 -1.695 6.355 11.811 1.00 0.00 N ATOM 1790 CA THR B 54 -0.882 5.145 11.622 1.00 0.00 C ATOM 1791 C THR B 54 -1.129 4.163 12.793 1.00 0.00 C ATOM 1792 O THR B 54 -0.559 4.305 13.880 1.00 0.00 O ATOM 1793 CB THR B 54 0.621 5.559 11.492 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.729 6.588 10.485 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.543 4.392 11.114 1.00 0.00 C ATOM 0 H THR B 54 -1.394 6.933 12.595 1.00 0.00 H new ATOM 0 HA THR B 54 -1.165 4.627 10.706 1.00 0.00 H new ATOM 0 HB THR B 54 0.945 5.914 12.470 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.666 6.859 10.394 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.570 4.749 11.041 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.482 3.617 11.878 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.233 3.979 10.154 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.022 3.187 12.547 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.477 2.183 13.536 1.00 0.00 C ATOM 1805 C VAL B 55 -1.638 0.891 13.429 1.00 0.00 C ATOM 1806 O VAL B 55 -1.450 0.377 12.334 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.003 1.837 13.289 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.523 0.731 14.247 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.876 3.106 13.386 1.00 0.00 C ATOM 0 H VAL B 55 -2.460 3.069 11.634 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.351 2.604 14.533 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.079 1.439 12.277 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.574 0.531 14.036 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.944 -0.180 14.099 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.417 1.065 15.279 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.920 2.844 13.213 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.772 3.544 14.379 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.554 3.827 12.635 1.00 0.00 H new ATOM 1819 N ASP B 56 -1.132 0.397 14.569 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.422 -0.905 14.663 1.00 0.00 C ATOM 1821 C ASP B 56 -1.298 -1.979 15.340 1.00 0.00 C ATOM 1822 O ASP B 56 -1.876 -1.748 16.409 1.00 0.00 O ATOM 1823 CB ASP B 56 0.920 -0.741 15.429 1.00 0.00 C ATOM 1824 CG ASP B 56 1.473 -2.069 15.997 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.922 -2.937 15.213 1.00 0.00 O ATOM 1826 OD2 ASP B 56 1.450 -2.261 17.225 1.00 0.00 O ATOM 0 H ASP B 56 -1.200 0.886 15.462 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.209 -1.239 13.647 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.661 -0.305 14.759 1.00 0.00 H new ATOM 0 HB3 ASP B 56 0.778 -0.036 16.248 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.415 -3.136 14.670 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.015 -4.356 15.235 1.00 0.00 C ATOM 1833 C LEU B 57 -0.945 -5.376 15.696 1.00 0.00 C ATOM 1834 O LEU B 57 -1.137 -6.031 16.721 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.962 -5.040 14.192 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.134 -4.176 13.601 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.913 -3.421 14.701 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.648 -3.221 12.496 1.00 0.00 C ATOM 0 H LEU B 57 -1.092 -3.253 13.710 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.589 -4.046 16.109 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.350 -5.390 13.361 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.398 -5.922 14.661 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.831 -4.875 13.138 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.713 -2.838 14.245 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.341 -4.138 15.401 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.236 -2.754 15.234 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.491 -2.644 12.117 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.899 -2.543 12.905 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.209 -3.799 11.683 1.00 0.00 H new ATOM 1850 N THR B 58 0.209 -5.467 14.983 1.00 0.00 N ATOM 1851 CA THR B 58 1.077 -6.673 15.058 1.00 0.00 C ATOM 1852 C THR B 58 1.915 -6.745 16.352 1.00 0.00 C ATOM 1853 O THR B 58 2.438 -7.814 16.690 1.00 0.00 O ATOM 1854 CB THR B 58 2.000 -6.818 13.802 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.660 -8.098 13.795 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.059 -5.711 13.679 1.00 0.00 C ATOM 0 H THR B 58 0.555 -4.736 14.362 1.00 0.00 H new ATOM 0 HA THR B 58 0.387 -7.517 15.076 1.00 0.00 H new ATOM 0 HB THR B 58 1.333 -6.727 12.944 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.652 -8.475 14.699 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.659 -5.880 12.785 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.566 -4.742 13.607 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.704 -5.725 14.557 1.00 0.00 H new ATOM 1864 N THR B 59 2.024 -5.628 17.091 1.00 0.00 N ATOM 1865 CA THR B 59 2.772 -5.580 18.365 1.00 0.00 C ATOM 1866 C THR B 59 1.901 -4.890 19.444 1.00 0.00 C ATOM 1867 O THR B 59 2.413 -4.416 20.467 1.00 0.00 O ATOM 1868 CB THR B 59 4.156 -4.846 18.193 1.00 0.00 C ATOM 1869 OG1 THR B 59 3.955 -3.532 17.688 1.00 0.00 O ATOM 1870 CG2 THR B 59 5.119 -5.599 17.251 1.00 0.00 C ATOM 0 H THR B 59 1.601 -4.738 16.828 1.00 0.00 H new ATOM 0 HA THR B 59 2.993 -6.599 18.683 1.00 0.00 H new ATOM 0 HB THR B 59 4.613 -4.812 19.182 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.994 -3.349 17.626 1.00 0.00 H new ATOM 0 HG21 THR B 59 6.055 -5.047 17.171 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.317 -6.593 17.652 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.666 -5.690 16.264 1.00 0.00 H new