USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1045 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 57 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -158:sc= 0.911 (180deg=-0.13!) USER MOD Set 2.1: A 12 CYS SG : rot 67:sc= -0.0692 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -171:sc= 0.907 (180deg=0.634) USER MOD Set 2.3: A 122 SER OG : rot -120:sc= 0.00292 USER MOD Set 2.4: A 126 HIS : no HE2:sc= -1.56 K(o=-0.72,f=-2.2!) USER MOD Set 3.1: A 1 MET CE :methyl 164:sc= -0.0116 (180deg=-0.383) USER MOD Set 3.2: A 7 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0536) USER MOD Single : A 9 SER OG : rot 27:sc= 0.128 USER MOD Single : A 18 SER OG : rot -160:sc= -4.33! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.45! C(o=-1.4!,f=-5.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= -0.807 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0717 (180deg=-0.559) USER MOD Single : A 40 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.058) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.133 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.316 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.0949 (180deg=-1.25) USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.137 (180deg=-0.622) USER MOD Single : A 65 SER OG : rot 180:sc= -0.898 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.05 F(o=-1.8!,f=-1.1) USER MOD Single : A 76 GLN :FLIP amide:sc= 0.22 F(o=-0.82,f=0.22) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00634 USER MOD Single : A 88 SER OG : rot 180:sc= -0.76 USER MOD Single : A 89 SER OG : rot -134:sc= 0.479 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -4.55! C(o=-4.6!,f=-4.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -75:sc= 0.418 USER MOD Single : A 120 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.86) USER MOD Single : A 124 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.665 28.509 10.940 1.00 0.00 N ATOM 2 CA MET A 1 -0.002 27.371 10.250 1.00 0.00 C ATOM 3 C MET A 1 0.454 27.249 8.795 1.00 0.00 C ATOM 4 O MET A 1 -0.341 26.924 7.913 1.00 0.00 O ATOM 5 CB MET A 1 -1.517 27.592 10.312 1.00 0.00 C ATOM 6 CG MET A 1 -2.210 26.779 11.393 1.00 0.00 C ATOM 7 SD MET A 1 -2.706 25.144 10.817 1.00 0.00 S ATOM 8 CE MET A 1 -1.392 24.133 11.493 1.00 0.00 C ATOM 0 H1 MET A 1 0.247 28.636 11.884 1.00 0.00 H new ATOM 0 H2 MET A 1 1.681 28.310 11.035 1.00 0.00 H new ATOM 0 H3 MET A 1 0.533 29.378 10.384 1.00 0.00 H new ATOM 0 HA MET A 1 0.270 26.442 10.751 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.714 28.650 10.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.952 27.339 9.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.542 26.672 12.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.090 27.320 11.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.692 23.085 11.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.489 24.263 10.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.193 24.435 12.521 1.00 0.00 H new ATOM 20 N ALA A 2 1.738 27.504 8.547 1.00 0.00 N ATOM 21 CA ALA A 2 2.290 27.416 7.198 1.00 0.00 C ATOM 22 C ALA A 2 3.779 27.743 7.189 1.00 0.00 C ATOM 23 O ALA A 2 4.180 28.866 7.493 1.00 0.00 O ATOM 24 CB ALA A 2 1.542 28.352 6.257 1.00 0.00 C ATOM 0 H ALA A 2 2.414 27.773 9.262 1.00 0.00 H new ATOM 0 HA ALA A 2 2.166 26.390 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.965 28.275 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.489 28.074 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.637 29.378 6.613 1.00 0.00 H new ATOM 30 N ALA A 3 4.596 26.754 6.838 1.00 0.00 N ATOM 31 CA ALA A 3 6.042 26.937 6.789 1.00 0.00 C ATOM 32 C ALA A 3 6.707 25.847 5.954 1.00 0.00 C ATOM 33 O ALA A 3 6.392 24.666 6.093 1.00 0.00 O ATOM 34 CB ALA A 3 6.616 26.949 8.197 1.00 0.00 C ATOM 0 H ALA A 3 4.281 25.818 6.583 1.00 0.00 H new ATOM 0 HA ALA A 3 6.247 27.896 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.696 27.086 8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.172 27.767 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.392 26.003 8.689 1.00 0.00 H new ATOM 40 N GLU A 4 7.632 26.247 5.086 1.00 0.00 N ATOM 41 CA GLU A 4 8.338 25.296 4.235 1.00 0.00 C ATOM 42 C GLU A 4 9.636 24.836 4.894 1.00 0.00 C ATOM 43 O GLU A 4 10.727 25.057 4.368 1.00 0.00 O ATOM 44 CB GLU A 4 8.630 25.920 2.869 1.00 0.00 C ATOM 45 CG GLU A 4 7.410 26.554 2.220 1.00 0.00 C ATOM 46 CD GLU A 4 7.157 26.039 0.816 1.00 0.00 C ATOM 47 OE1 GLU A 4 7.409 24.841 0.568 1.00 0.00 O ATOM 48 OE2 GLU A 4 6.704 26.833 -0.035 1.00 0.00 O ATOM 0 H GLU A 4 7.909 27.220 4.954 1.00 0.00 H new ATOM 0 HA GLU A 4 7.698 24.425 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.406 26.677 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.028 25.152 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.533 26.359 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.542 27.635 2.187 1.00 0.00 H new ATOM 55 N LEU A 5 9.506 24.197 6.052 1.00 0.00 N ATOM 56 CA LEU A 5 10.664 23.702 6.792 1.00 0.00 C ATOM 57 C LEU A 5 10.318 22.457 7.610 1.00 0.00 C ATOM 58 O LEU A 5 11.192 21.646 7.918 1.00 0.00 O ATOM 59 CB LEU A 5 11.213 24.797 7.712 1.00 0.00 C ATOM 60 CG LEU A 5 12.729 25.010 7.634 1.00 0.00 C ATOM 61 CD1 LEU A 5 13.050 26.412 7.131 1.00 0.00 C ATOM 62 CD2 LEU A 5 13.374 24.767 8.991 1.00 0.00 C ATOM 0 H LEU A 5 8.609 24.009 6.500 1.00 0.00 H new ATOM 0 HA LEU A 5 11.428 23.425 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.716 25.737 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.948 24.553 8.741 1.00 0.00 H new ATOM 0 HG LEU A 5 13.139 24.291 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 5 14.131 26.543 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.624 26.549 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.625 27.149 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.450 24.923 8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.957 25.460 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.177 23.743 9.309 1.00 0.00 H new ATOM 74 N GLU A 6 9.043 22.307 7.961 1.00 0.00 N ATOM 75 CA GLU A 6 8.594 21.161 8.742 1.00 0.00 C ATOM 76 C GLU A 6 7.182 20.753 8.337 1.00 0.00 C ATOM 77 O GLU A 6 6.238 20.884 9.117 1.00 0.00 O ATOM 78 CB GLU A 6 8.635 21.487 10.235 1.00 0.00 C ATOM 79 CG GLU A 6 9.968 21.165 10.892 1.00 0.00 C ATOM 80 CD GLU A 6 10.420 22.240 11.863 1.00 0.00 C ATOM 81 OE1 GLU A 6 9.816 23.333 11.866 1.00 0.00 O ATOM 82 OE2 GLU A 6 11.380 21.988 12.622 1.00 0.00 O ATOM 0 H GLU A 6 8.304 22.966 7.716 1.00 0.00 H new ATOM 0 HA GLU A 6 9.267 20.328 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.418 22.546 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.846 20.931 10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.887 20.215 11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.727 21.037 10.120 1.00 0.00 H new ATOM 89 N TYR A 7 7.047 20.257 7.112 1.00 0.00 N ATOM 90 CA TYR A 7 5.752 19.828 6.595 1.00 0.00 C ATOM 91 C TYR A 7 5.930 18.764 5.517 1.00 0.00 C ATOM 92 O TYR A 7 6.501 19.026 4.459 1.00 0.00 O ATOM 93 CB TYR A 7 4.985 21.025 6.025 1.00 0.00 C ATOM 94 CG TYR A 7 4.289 21.857 7.078 1.00 0.00 C ATOM 95 CD1 TYR A 7 4.966 22.861 7.759 1.00 0.00 C ATOM 96 CD2 TYR A 7 2.952 21.641 7.390 1.00 0.00 C ATOM 97 CE1 TYR A 7 4.333 23.624 8.720 1.00 0.00 C ATOM 98 CE2 TYR A 7 2.310 22.401 8.349 1.00 0.00 C ATOM 99 CZ TYR A 7 3.005 23.392 9.012 1.00 0.00 C ATOM 100 OH TYR A 7 2.373 24.154 9.972 1.00 0.00 O ATOM 0 H TYR A 7 7.820 20.142 6.457 1.00 0.00 H new ATOM 0 HA TYR A 7 5.180 19.399 7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.678 21.660 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.244 20.664 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.005 23.048 7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.405 20.866 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.875 24.399 9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.270 22.221 8.578 1.00 0.00 H new ATOM 0 HH TYR A 7 1.421 24.232 9.753 1.00 0.00 H new ATOM 110 N GLU A 8 5.440 17.560 5.795 1.00 0.00 N ATOM 111 CA GLU A 8 5.548 16.451 4.854 1.00 0.00 C ATOM 112 C GLU A 8 4.443 15.430 5.092 1.00 0.00 C ATOM 113 O GLU A 8 4.159 15.059 6.231 1.00 0.00 O ATOM 114 CB GLU A 8 6.912 15.772 4.984 1.00 0.00 C ATOM 115 CG GLU A 8 7.980 16.371 4.085 1.00 0.00 C ATOM 116 CD GLU A 8 8.890 17.333 4.823 1.00 0.00 C ATOM 117 OE1 GLU A 8 9.005 17.211 6.061 1.00 0.00 O ATOM 118 OE2 GLU A 8 9.489 18.209 4.164 1.00 0.00 O ATOM 0 H GLU A 8 4.963 17.327 6.666 1.00 0.00 H new ATOM 0 HA GLU A 8 5.443 16.853 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.243 15.837 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.805 14.713 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.579 15.569 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.501 16.893 3.256 1.00 0.00 H new ATOM 125 N SER A 9 3.823 14.981 4.009 1.00 0.00 N ATOM 126 CA SER A 9 2.751 14.003 4.098 1.00 0.00 C ATOM 127 C SER A 9 2.503 13.346 2.748 1.00 0.00 C ATOM 128 O SER A 9 2.277 14.026 1.747 1.00 0.00 O ATOM 129 CB SER A 9 1.466 14.665 4.599 1.00 0.00 C ATOM 130 OG SER A 9 1.154 15.812 3.829 1.00 0.00 O ATOM 0 H SER A 9 4.045 15.279 3.059 1.00 0.00 H new ATOM 0 HA SER A 9 3.054 13.233 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.642 13.953 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.581 14.945 5.646 1.00 0.00 H new ATOM 0 HG SER A 9 1.529 15.713 2.929 1.00 0.00 H new ATOM 136 N VAL A 10 2.550 12.021 2.731 1.00 0.00 N ATOM 137 CA VAL A 10 2.332 11.255 1.506 1.00 0.00 C ATOM 138 C VAL A 10 0.973 11.557 0.860 1.00 0.00 C ATOM 139 O VAL A 10 0.857 11.561 -0.367 1.00 0.00 O ATOM 140 CB VAL A 10 2.404 9.747 1.797 1.00 0.00 C ATOM 141 CG1 VAL A 10 1.358 9.364 2.833 1.00 0.00 C ATOM 142 CG2 VAL A 10 2.216 8.943 0.521 1.00 0.00 C ATOM 0 H VAL A 10 2.738 11.450 3.555 1.00 0.00 H new ATOM 0 HA VAL A 10 3.119 11.552 0.813 1.00 0.00 H new ATOM 0 HB VAL A 10 3.391 9.517 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.418 8.294 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.541 9.915 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.365 9.608 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.271 7.879 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.242 9.171 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.000 9.202 -0.191 1.00 0.00 H new ATOM 152 N LEU A 11 -0.057 11.780 1.680 1.00 0.00 N ATOM 153 CA LEU A 11 -1.402 12.061 1.189 1.00 0.00 C ATOM 154 C LEU A 11 -1.803 11.144 0.028 1.00 0.00 C ATOM 155 O LEU A 11 -2.539 11.553 -0.866 1.00 0.00 O ATOM 156 CB LEU A 11 -1.536 13.536 0.790 1.00 0.00 C ATOM 157 CG LEU A 11 -0.514 14.055 -0.224 1.00 0.00 C ATOM 158 CD1 LEU A 11 -0.933 13.680 -1.634 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.355 15.565 -0.098 1.00 0.00 C ATOM 0 H LEU A 11 0.020 11.770 2.697 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.091 11.856 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.534 13.691 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.463 14.143 1.692 1.00 0.00 H new ATOM 0 HG LEU A 11 0.449 13.590 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.197 14.056 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.998 12.595 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.906 14.119 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.376 15.916 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.314 16.049 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.013 15.812 0.907 1.00 0.00 H new ATOM 171 N CYS A 12 -1.320 9.901 0.061 1.00 0.00 N ATOM 172 CA CYS A 12 -1.648 8.922 -0.990 1.00 0.00 C ATOM 173 C CYS A 12 -3.024 8.313 -0.733 1.00 0.00 C ATOM 174 O CYS A 12 -3.409 8.105 0.414 1.00 0.00 O ATOM 175 CB CYS A 12 -0.596 7.797 -1.084 1.00 0.00 C ATOM 176 SG CYS A 12 -0.906 6.621 -2.427 1.00 0.00 S ATOM 0 H CYS A 12 -0.706 9.546 0.794 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.651 9.458 -1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.389 8.243 -1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.570 7.256 -0.138 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.767 7.222 -3.571 1.00 0.00 H new ATOM 182 N VAL A 13 -3.749 8.015 -1.809 1.00 0.00 N ATOM 183 CA VAL A 13 -5.080 7.414 -1.703 1.00 0.00 C ATOM 184 C VAL A 13 -5.411 6.593 -2.948 1.00 0.00 C ATOM 185 O VAL A 13 -4.758 6.732 -3.981 1.00 0.00 O ATOM 186 CB VAL A 13 -6.187 8.481 -1.514 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.110 9.129 -0.138 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.108 9.534 -2.609 1.00 0.00 C ATOM 0 H VAL A 13 -3.438 8.180 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.054 6.769 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.150 7.976 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.901 9.872 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.232 8.366 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.141 9.613 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.894 10.275 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.135 10.024 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.238 9.059 -3.581 1.00 0.00 H new ATOM 198 N LYS A 14 -6.432 5.747 -2.848 1.00 0.00 N ATOM 199 CA LYS A 14 -6.848 4.918 -3.977 1.00 0.00 C ATOM 200 C LYS A 14 -8.161 4.201 -3.675 1.00 0.00 C ATOM 201 O LYS A 14 -8.167 3.093 -3.139 1.00 0.00 O ATOM 202 CB LYS A 14 -5.771 3.895 -4.332 1.00 0.00 C ATOM 203 CG LYS A 14 -5.688 3.606 -5.824 1.00 0.00 C ATOM 204 CD LYS A 14 -4.253 3.635 -6.326 1.00 0.00 C ATOM 205 CE LYS A 14 -3.966 4.906 -7.109 1.00 0.00 C ATOM 206 NZ LYS A 14 -3.729 6.069 -6.212 1.00 0.00 N ATOM 0 H LYS A 14 -6.985 5.617 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.998 5.580 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.804 4.259 -3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.972 2.966 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.125 2.629 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.279 4.341 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.569 3.564 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.069 2.767 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.093 4.752 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.805 5.122 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.689 6.941 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.504 6.139 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.828 5.941 -5.708 1.00 0.00 H new ATOM 220 N PRO A 15 -9.295 4.840 -4.015 1.00 0.00 N ATOM 221 CA PRO A 15 -10.630 4.278 -3.783 1.00 0.00 C ATOM 222 C PRO A 15 -10.967 3.126 -4.727 1.00 0.00 C ATOM 223 O PRO A 15 -11.841 2.308 -4.436 1.00 0.00 O ATOM 224 CB PRO A 15 -11.555 5.474 -4.027 1.00 0.00 C ATOM 225 CG PRO A 15 -10.814 6.341 -4.978 1.00 0.00 C ATOM 226 CD PRO A 15 -9.360 6.172 -4.647 1.00 0.00 C ATOM 0 HA PRO A 15 -10.721 3.842 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.510 5.156 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.772 6.002 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.016 6.050 -6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.119 7.382 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.738 6.221 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.010 6.953 -3.972 1.00 0.00 H new ATOM 234 N ASP A 16 -10.265 3.056 -5.851 1.00 0.00 N ATOM 235 CA ASP A 16 -10.487 1.996 -6.827 1.00 0.00 C ATOM 236 C ASP A 16 -9.289 1.057 -6.878 1.00 0.00 C ATOM 237 O ASP A 16 -8.367 1.261 -7.665 1.00 0.00 O ATOM 238 CB ASP A 16 -10.737 2.596 -8.213 1.00 0.00 C ATOM 239 CG ASP A 16 -9.735 3.678 -8.562 1.00 0.00 C ATOM 240 OD1 ASP A 16 -9.969 4.847 -8.189 1.00 0.00 O ATOM 241 OD2 ASP A 16 -8.713 3.357 -9.204 1.00 0.00 O ATOM 0 H ASP A 16 -9.536 3.721 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.365 1.427 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.690 1.806 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.744 3.011 -8.250 1.00 0.00 H new ATOM 246 N VAL A 17 -9.310 0.030 -6.032 1.00 0.00 N ATOM 247 CA VAL A 17 -8.223 -0.940 -5.980 1.00 0.00 C ATOM 248 C VAL A 17 -8.666 -2.224 -5.284 1.00 0.00 C ATOM 249 O VAL A 17 -9.622 -2.223 -4.510 1.00 0.00 O ATOM 250 CB VAL A 17 -6.988 -0.359 -5.252 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.276 -0.147 -3.773 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.774 -1.258 -5.435 1.00 0.00 C ATOM 0 H VAL A 17 -10.068 -0.151 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.949 -1.171 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.766 0.610 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.391 0.262 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.107 0.549 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.536 -1.100 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.920 -0.826 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.988 -2.246 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.544 -1.347 -6.497 1.00 0.00 H new ATOM 262 N SER A 18 -7.954 -3.314 -5.546 1.00 0.00 N ATOM 263 CA SER A 18 -8.270 -4.590 -4.922 1.00 0.00 C ATOM 264 C SER A 18 -7.144 -5.020 -4.003 1.00 0.00 C ATOM 265 O SER A 18 -5.975 -5.029 -4.385 1.00 0.00 O ATOM 266 CB SER A 18 -8.527 -5.669 -5.971 1.00 0.00 C ATOM 267 OG SER A 18 -8.195 -5.215 -7.264 1.00 0.00 O ATOM 0 H SER A 18 -7.158 -3.339 -6.183 1.00 0.00 H new ATOM 0 HA SER A 18 -9.180 -4.459 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.941 -6.557 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.576 -5.963 -5.944 1.00 0.00 H new ATOM 0 HG SER A 18 -8.648 -5.771 -7.932 1.00 0.00 H new ATOM 273 N VAL A 19 -7.501 -5.364 -2.783 1.00 0.00 N ATOM 274 CA VAL A 19 -6.523 -5.783 -1.800 1.00 0.00 C ATOM 275 C VAL A 19 -6.539 -7.295 -1.630 1.00 0.00 C ATOM 276 O VAL A 19 -7.558 -7.943 -1.856 1.00 0.00 O ATOM 277 CB VAL A 19 -6.792 -5.123 -0.442 1.00 0.00 C ATOM 278 CG1 VAL A 19 -5.489 -4.762 0.245 1.00 0.00 C ATOM 279 CG2 VAL A 19 -7.689 -3.903 -0.599 1.00 0.00 C ATOM 0 H VAL A 19 -8.464 -5.362 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.543 -5.471 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.317 -5.840 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.702 -4.295 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.899 -5.665 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.929 -4.067 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.865 -3.453 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.204 -3.177 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.641 -4.205 -1.036 1.00 0.00 H new ATOM 289 N TYR A 20 -5.405 -7.851 -1.229 1.00 0.00 N ATOM 290 CA TYR A 20 -5.291 -9.290 -1.033 1.00 0.00 C ATOM 291 C TYR A 20 -5.087 -9.634 0.442 1.00 0.00 C ATOM 292 O TYR A 20 -4.210 -9.081 1.109 1.00 0.00 O ATOM 293 CB TYR A 20 -4.129 -9.847 -1.862 1.00 0.00 C ATOM 294 CG TYR A 20 -4.466 -10.084 -3.322 1.00 0.00 C ATOM 295 CD1 TYR A 20 -4.369 -9.057 -4.256 1.00 0.00 C ATOM 296 CD2 TYR A 20 -4.873 -11.336 -3.767 1.00 0.00 C ATOM 297 CE1 TYR A 20 -4.669 -9.274 -5.589 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.171 -11.558 -5.098 1.00 0.00 C ATOM 299 CZ TYR A 20 -5.069 -10.526 -6.002 1.00 0.00 C ATOM 300 OH TYR A 20 -5.366 -10.750 -7.327 1.00 0.00 O ATOM 0 H TYR A 20 -4.551 -7.329 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.223 -9.747 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.290 -9.154 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.799 -10.787 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.055 -8.075 -3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.958 -12.149 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.590 -8.467 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.483 -12.538 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.630 -11.686 -7.449 1.00 0.00 H new ATOM 310 N ARG A 21 -5.898 -10.563 0.938 1.00 0.00 N ATOM 311 CA ARG A 21 -5.818 -11.012 2.325 1.00 0.00 C ATOM 312 C ARG A 21 -5.519 -12.508 2.382 1.00 0.00 C ATOM 313 O ARG A 21 -5.968 -13.271 1.530 1.00 0.00 O ATOM 314 CB ARG A 21 -7.131 -10.727 3.065 1.00 0.00 C ATOM 315 CG ARG A 21 -8.359 -11.297 2.369 1.00 0.00 C ATOM 316 CD ARG A 21 -9.644 -10.936 3.102 1.00 0.00 C ATOM 317 NE ARG A 21 -10.367 -12.125 3.558 1.00 0.00 N ATOM 318 CZ ARG A 21 -11.327 -12.731 2.858 1.00 0.00 C ATOM 319 NH1 ARG A 21 -11.693 -12.266 1.669 1.00 0.00 N ATOM 320 NH2 ARG A 21 -11.924 -13.808 3.352 1.00 0.00 N ATOM 0 H ARG A 21 -6.626 -11.025 0.393 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.011 -10.463 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.069 -11.142 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.252 -9.649 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.405 -10.920 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.270 -12.381 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.408 -10.304 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.286 -10.352 2.443 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.121 -12.514 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.239 -11.438 1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.428 -12.737 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.648 -14.170 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.659 -14.274 2.819 1.00 0.00 H new ATOM 334 N ILE A 22 -4.770 -12.928 3.394 1.00 0.00 N ATOM 335 CA ILE A 22 -4.432 -14.341 3.555 1.00 0.00 C ATOM 336 C ILE A 22 -4.854 -14.825 4.945 1.00 0.00 C ATOM 337 O ILE A 22 -4.299 -14.383 5.950 1.00 0.00 O ATOM 338 CB ILE A 22 -2.916 -14.597 3.357 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.326 -13.625 2.326 1.00 0.00 C ATOM 340 CG2 ILE A 22 -2.671 -16.036 2.918 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.345 -12.635 2.916 1.00 0.00 C ATOM 0 H ILE A 22 -4.386 -12.316 4.114 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.971 -14.897 2.788 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.419 -14.430 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.826 -14.197 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.139 -13.077 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.602 -16.198 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.049 -16.718 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.187 -16.222 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.970 -11.981 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.846 -12.036 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.512 -13.174 3.368 1.00 0.00 H new ATOM 353 N PRO A 23 -5.851 -15.737 5.032 1.00 0.00 N ATOM 354 CA PRO A 23 -6.340 -16.257 6.312 1.00 0.00 C ATOM 355 C PRO A 23 -5.211 -16.559 7.298 1.00 0.00 C ATOM 356 O PRO A 23 -5.233 -16.088 8.435 1.00 0.00 O ATOM 357 CB PRO A 23 -7.091 -17.545 5.932 1.00 0.00 C ATOM 358 CG PRO A 23 -6.979 -17.679 4.445 1.00 0.00 C ATOM 359 CD PRO A 23 -6.584 -16.329 3.908 1.00 0.00 C ATOM 0 HA PRO A 23 -6.967 -15.527 6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.656 -18.410 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.135 -17.490 6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.236 -18.431 4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.927 -18.003 4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.961 -16.414 3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.454 -15.732 3.633 1.00 0.00 H new ATOM 367 N PRO A 24 -4.206 -17.345 6.880 1.00 0.00 N ATOM 368 CA PRO A 24 -3.070 -17.695 7.741 1.00 0.00 C ATOM 369 C PRO A 24 -2.238 -16.473 8.120 1.00 0.00 C ATOM 370 O PRO A 24 -1.529 -15.909 7.285 1.00 0.00 O ATOM 371 CB PRO A 24 -2.244 -18.652 6.874 1.00 0.00 C ATOM 372 CG PRO A 24 -2.636 -18.325 5.476 1.00 0.00 C ATOM 373 CD PRO A 24 -4.089 -17.956 5.544 1.00 0.00 C ATOM 0 HA PRO A 24 -3.394 -18.129 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.175 -18.506 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.462 -19.693 7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.040 -17.501 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.478 -19.177 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.367 -17.258 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.734 -18.829 5.440 1.00 0.00 H new ATOM 381 N ARG A 25 -2.328 -16.069 9.383 1.00 0.00 N ATOM 382 CA ARG A 25 -1.581 -14.914 9.871 1.00 0.00 C ATOM 383 C ARG A 25 -0.973 -15.203 11.240 1.00 0.00 C ATOM 384 O ARG A 25 -1.124 -14.418 12.178 1.00 0.00 O ATOM 385 CB ARG A 25 -2.491 -13.687 9.949 1.00 0.00 C ATOM 386 CG ARG A 25 -3.660 -13.858 10.903 1.00 0.00 C ATOM 387 CD ARG A 25 -4.874 -13.063 10.448 1.00 0.00 C ATOM 388 NE ARG A 25 -4.516 -11.715 10.012 1.00 0.00 N ATOM 389 CZ ARG A 25 -5.289 -10.956 9.240 1.00 0.00 C ATOM 390 NH1 ARG A 25 -6.467 -11.405 8.822 1.00 0.00 N ATOM 391 NH2 ARG A 25 -4.886 -9.744 8.884 1.00 0.00 N ATOM 0 H ARG A 25 -2.910 -16.523 10.087 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.772 -14.710 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.900 -12.826 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.875 -13.465 8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.921 -14.914 10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.366 -13.535 11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.366 -13.589 9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.593 -13.000 11.265 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.621 -11.334 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.783 -12.336 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.056 -10.819 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.983 -9.393 9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.479 -9.163 8.292 1.00 0.00 H new ATOM 405 N ALA A 26 -0.287 -16.336 11.348 1.00 0.00 N ATOM 406 CA ALA A 26 0.344 -16.730 12.603 1.00 0.00 C ATOM 407 C ALA A 26 1.523 -17.663 12.353 1.00 0.00 C ATOM 408 O ALA A 26 1.777 -18.582 13.133 1.00 0.00 O ATOM 409 CB ALA A 26 -0.677 -17.393 13.516 1.00 0.00 C ATOM 0 H ALA A 26 -0.154 -16.997 10.583 1.00 0.00 H new ATOM 0 HA ALA A 26 0.724 -15.833 13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.196 -17.683 14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.485 -16.693 13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.082 -18.278 13.026 1.00 0.00 H new ATOM 415 N SER A 27 2.243 -17.423 11.262 1.00 0.00 N ATOM 416 CA SER A 27 3.397 -18.243 10.911 1.00 0.00 C ATOM 417 C SER A 27 4.458 -17.414 10.194 1.00 0.00 C ATOM 418 O SER A 27 4.275 -16.218 9.965 1.00 0.00 O ATOM 419 CB SER A 27 2.965 -19.415 10.027 1.00 0.00 C ATOM 420 OG SER A 27 2.038 -18.997 9.040 1.00 0.00 O ATOM 0 H SER A 27 2.048 -16.667 10.606 1.00 0.00 H new ATOM 0 HA SER A 27 3.829 -18.631 11.833 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.840 -19.853 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.517 -20.194 10.644 1.00 0.00 H new ATOM 0 HG SER A 27 1.780 -19.764 8.488 1.00 0.00 H new ATOM 426 N ASN A 28 5.565 -18.058 9.840 1.00 0.00 N ATOM 427 CA ASN A 28 6.656 -17.383 9.148 1.00 0.00 C ATOM 428 C ASN A 28 7.091 -18.178 7.923 1.00 0.00 C ATOM 429 O ASN A 28 8.048 -18.950 7.977 1.00 0.00 O ATOM 430 CB ASN A 28 7.843 -17.179 10.092 1.00 0.00 C ATOM 431 CG ASN A 28 9.011 -16.475 9.424 1.00 0.00 C ATOM 432 OD1 ASN A 28 9.225 -16.604 8.219 1.00 0.00 O ATOM 433 ND2 ASN A 28 9.776 -15.724 10.209 1.00 0.00 N ATOM 0 H ASN A 28 5.730 -19.048 10.021 1.00 0.00 H new ATOM 0 HA ASN A 28 6.298 -16.408 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.519 -16.597 10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.174 -18.148 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.576 -15.227 9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.563 -15.644 11.203 1.00 0.00 H new ATOM 440 N ARG A 29 6.384 -17.978 6.819 1.00 0.00 N ATOM 441 CA ARG A 29 6.697 -18.667 5.576 1.00 0.00 C ATOM 442 C ARG A 29 5.873 -18.104 4.429 1.00 0.00 C ATOM 443 O ARG A 29 4.652 -17.985 4.526 1.00 0.00 O ATOM 444 CB ARG A 29 6.452 -20.173 5.708 1.00 0.00 C ATOM 445 CG ARG A 29 5.038 -20.534 6.140 1.00 0.00 C ATOM 446 CD ARG A 29 4.114 -20.721 4.944 1.00 0.00 C ATOM 447 NE ARG A 29 4.022 -22.121 4.532 1.00 0.00 N ATOM 448 CZ ARG A 29 2.874 -22.767 4.320 1.00 0.00 C ATOM 449 NH1 ARG A 29 1.709 -22.160 4.510 1.00 0.00 N ATOM 450 NH2 ARG A 29 2.894 -24.031 3.921 1.00 0.00 N ATOM 0 H ARG A 29 5.588 -17.343 6.760 1.00 0.00 H new ATOM 0 HA ARG A 29 7.754 -18.506 5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.662 -20.650 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.158 -20.584 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.060 -21.451 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.643 -19.750 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.120 -20.351 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.477 -20.121 4.109 1.00 0.00 H new ATOM 0 HE ARG A 29 4.892 -22.637 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.685 -21.189 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.838 -22.665 4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.785 -24.506 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.018 -24.528 3.758 1.00 0.00 H new ATOM 464 N GLY A 30 6.551 -17.755 3.346 1.00 0.00 N ATOM 465 CA GLY A 30 5.871 -17.207 2.194 1.00 0.00 C ATOM 466 C GLY A 30 6.156 -17.993 0.935 1.00 0.00 C ATOM 467 O GLY A 30 6.780 -19.054 0.986 1.00 0.00 O ATOM 0 H GLY A 30 7.562 -17.842 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.797 -17.197 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.179 -16.171 2.051 1.00 0.00 H new ATOM 471 N TYR A 31 5.701 -17.474 -0.195 1.00 0.00 N ATOM 472 CA TYR A 31 5.912 -18.134 -1.475 1.00 0.00 C ATOM 473 C TYR A 31 5.588 -17.192 -2.622 1.00 0.00 C ATOM 474 O TYR A 31 4.654 -16.393 -2.544 1.00 0.00 O ATOM 475 CB TYR A 31 5.048 -19.390 -1.580 1.00 0.00 C ATOM 476 CG TYR A 31 5.539 -20.394 -2.603 1.00 0.00 C ATOM 477 CD1 TYR A 31 5.494 -20.108 -3.960 1.00 0.00 C ATOM 478 CD2 TYR A 31 6.037 -21.631 -2.211 1.00 0.00 C ATOM 479 CE1 TYR A 31 5.931 -21.023 -4.899 1.00 0.00 C ATOM 480 CE2 TYR A 31 6.478 -22.552 -3.144 1.00 0.00 C ATOM 481 CZ TYR A 31 6.422 -22.243 -4.487 1.00 0.00 C ATOM 482 OH TYR A 31 6.857 -23.157 -5.420 1.00 0.00 O ATOM 0 H TYR A 31 5.183 -16.597 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 31 6.962 -18.420 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.007 -19.873 -0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.029 -19.097 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.111 -19.153 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.080 -21.877 -1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.888 -20.783 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.864 -23.508 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 31 7.173 -23.965 -4.964 1.00 0.00 H new ATOM 492 N ARG A 32 6.380 -17.277 -3.676 1.00 0.00 N ATOM 493 CA ARG A 32 6.205 -16.428 -4.846 1.00 0.00 C ATOM 494 C ARG A 32 4.888 -16.716 -5.568 1.00 0.00 C ATOM 495 O ARG A 32 4.322 -17.799 -5.445 1.00 0.00 O ATOM 496 CB ARG A 32 7.370 -16.654 -5.800 1.00 0.00 C ATOM 497 CG ARG A 32 7.610 -18.125 -6.118 1.00 0.00 C ATOM 498 CD ARG A 32 9.092 -18.473 -6.134 1.00 0.00 C ATOM 499 NE ARG A 32 9.860 -17.586 -7.006 1.00 0.00 N ATOM 500 CZ ARG A 32 10.380 -17.955 -8.177 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.160 -19.174 -8.661 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.110 -17.096 -8.874 1.00 0.00 N ATOM 0 H ARG A 32 7.159 -17.932 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 32 6.178 -15.390 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.181 -16.115 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.275 -16.231 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.101 -18.743 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.172 -18.362 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.488 -18.414 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.218 -19.504 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 32 10.007 -16.624 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.589 -19.836 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.562 -19.447 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.273 -16.156 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.509 -17.375 -9.770 1.00 0.00 H new ATOM 516 N ALA A 33 4.405 -15.737 -6.330 1.00 0.00 N ATOM 517 CA ALA A 33 3.156 -15.890 -7.072 1.00 0.00 C ATOM 518 C ALA A 33 3.237 -16.984 -8.130 1.00 0.00 C ATOM 519 O ALA A 33 2.245 -17.277 -8.799 1.00 0.00 O ATOM 520 CB ALA A 33 2.758 -14.578 -7.718 1.00 0.00 C ATOM 0 H ALA A 33 4.859 -14.831 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 33 2.395 -16.188 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.825 -14.711 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.621 -13.820 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.541 -14.259 -8.406 1.00 0.00 H new ATOM 526 N SER A 34 4.406 -17.600 -8.283 1.00 0.00 N ATOM 527 CA SER A 34 4.562 -18.665 -9.263 1.00 0.00 C ATOM 528 C SER A 34 3.540 -19.758 -8.993 1.00 0.00 C ATOM 529 O SER A 34 2.994 -20.358 -9.916 1.00 0.00 O ATOM 530 CB SER A 34 5.975 -19.248 -9.215 1.00 0.00 C ATOM 531 OG SER A 34 6.944 -18.262 -9.516 1.00 0.00 O ATOM 0 H SER A 34 5.247 -17.383 -7.748 1.00 0.00 H new ATOM 0 HA SER A 34 4.399 -18.250 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.168 -19.661 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.056 -20.071 -9.925 1.00 0.00 H new ATOM 0 HG SER A 34 7.819 -18.688 -9.634 1.00 0.00 H new ATOM 537 N ASP A 35 3.288 -20.006 -7.710 1.00 0.00 N ATOM 538 CA ASP A 35 2.331 -21.027 -7.307 1.00 0.00 C ATOM 539 C ASP A 35 1.570 -20.630 -6.044 1.00 0.00 C ATOM 540 O ASP A 35 0.943 -21.474 -5.405 1.00 0.00 O ATOM 541 CB ASP A 35 3.044 -22.360 -7.083 1.00 0.00 C ATOM 542 CG ASP A 35 2.209 -23.536 -7.545 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.260 -23.860 -8.750 1.00 0.00 O ATOM 544 OD2 ASP A 35 1.501 -24.131 -6.706 1.00 0.00 O ATOM 0 H ASP A 35 3.733 -19.514 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 35 1.606 -21.130 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.994 -22.357 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.275 -22.474 -6.024 1.00 0.00 H new ATOM 549 N TRP A 36 1.616 -19.352 -5.684 1.00 0.00 N ATOM 550 CA TRP A 36 0.910 -18.888 -4.495 1.00 0.00 C ATOM 551 C TRP A 36 -0.584 -18.767 -4.771 1.00 0.00 C ATOM 552 O TRP A 36 -1.404 -19.239 -3.985 1.00 0.00 O ATOM 553 CB TRP A 36 1.475 -17.546 -4.019 1.00 0.00 C ATOM 554 CG TRP A 36 1.485 -17.363 -2.523 1.00 0.00 C ATOM 555 CD1 TRP A 36 1.352 -16.176 -1.857 1.00 0.00 C ATOM 556 CD2 TRP A 36 1.651 -18.372 -1.505 1.00 0.00 C ATOM 557 NE1 TRP A 36 1.420 -16.379 -0.501 1.00 0.00 N ATOM 558 CE2 TRP A 36 1.602 -17.714 -0.258 1.00 0.00 C ATOM 559 CE3 TRP A 36 1.833 -19.764 -1.517 1.00 0.00 C ATOM 560 CZ2 TRP A 36 1.728 -18.392 0.953 1.00 0.00 C ATOM 561 CZ3 TRP A 36 1.957 -20.433 -0.312 1.00 0.00 C ATOM 562 CH2 TRP A 36 1.903 -19.746 0.906 1.00 0.00 C ATOM 0 H TRP A 36 2.127 -18.628 -6.190 1.00 0.00 H new ATOM 0 HA TRP A 36 1.057 -19.623 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.494 -17.444 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.891 -16.742 -4.466 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.213 -15.215 -2.331 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.347 -15.652 0.211 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.876 -20.304 -2.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.689 -17.866 1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.098 -21.504 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.002 -20.298 1.829 1.00 0.00 H new ATOM 573 N LYS A 37 -0.940 -18.143 -5.893 1.00 0.00 N ATOM 574 CA LYS A 37 -2.347 -17.974 -6.257 1.00 0.00 C ATOM 575 C LYS A 37 -3.095 -17.255 -5.140 1.00 0.00 C ATOM 576 O LYS A 37 -2.642 -17.231 -4.003 1.00 0.00 O ATOM 577 CB LYS A 37 -2.987 -19.341 -6.523 1.00 0.00 C ATOM 578 CG LYS A 37 -4.432 -19.273 -7.002 1.00 0.00 C ATOM 579 CD LYS A 37 -5.380 -19.936 -6.012 1.00 0.00 C ATOM 580 CE LYS A 37 -5.797 -21.329 -6.468 1.00 0.00 C ATOM 581 NZ LYS A 37 -4.650 -22.130 -6.990 1.00 0.00 N ATOM 0 H LYS A 37 -0.279 -17.748 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.407 -17.372 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.393 -19.868 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.947 -19.932 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.721 -18.231 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.518 -19.761 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.898 -20.003 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.267 -19.315 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.255 -21.859 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.557 -21.241 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.867 -23.144 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.488 -21.894 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.795 -21.911 -6.440 1.00 0.00 H new ATOM 595 N LEU A 38 -4.233 -16.659 -5.467 1.00 0.00 N ATOM 596 CA LEU A 38 -5.017 -15.933 -4.477 1.00 0.00 C ATOM 597 C LEU A 38 -6.340 -15.456 -5.090 1.00 0.00 C ATOM 598 O LEU A 38 -6.590 -14.260 -5.210 1.00 0.00 O ATOM 599 CB LEU A 38 -4.185 -14.750 -3.950 1.00 0.00 C ATOM 600 CG LEU A 38 -4.017 -14.668 -2.426 1.00 0.00 C ATOM 601 CD1 LEU A 38 -3.444 -15.954 -1.855 1.00 0.00 C ATOM 602 CD2 LEU A 38 -3.136 -13.485 -2.051 1.00 0.00 C ATOM 0 H LEU A 38 -4.633 -16.663 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.262 -16.591 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.194 -14.799 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.647 -13.825 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.007 -14.525 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.340 -15.858 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.114 -16.783 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.467 -16.145 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.027 -13.441 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.154 -13.603 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.595 -12.562 -2.407 1.00 0.00 H new ATOM 614 N ASP A 39 -7.183 -16.418 -5.477 1.00 0.00 N ATOM 615 CA ASP A 39 -8.484 -16.117 -6.082 1.00 0.00 C ATOM 616 C ASP A 39 -9.572 -15.944 -5.026 1.00 0.00 C ATOM 617 O ASP A 39 -10.642 -15.407 -5.312 1.00 0.00 O ATOM 618 CB ASP A 39 -8.893 -17.230 -7.050 1.00 0.00 C ATOM 619 CG ASP A 39 -9.912 -16.761 -8.071 1.00 0.00 C ATOM 620 OD1 ASP A 39 -10.581 -15.738 -7.816 1.00 0.00 O ATOM 621 OD2 ASP A 39 -10.043 -17.419 -9.124 1.00 0.00 O ATOM 0 H ASP A 39 -6.987 -17.414 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.378 -15.177 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.008 -17.601 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.306 -18.066 -6.485 1.00 0.00 H new ATOM 626 N GLN A 40 -9.304 -16.407 -3.809 1.00 0.00 N ATOM 627 CA GLN A 40 -10.276 -16.307 -2.726 1.00 0.00 C ATOM 628 C GLN A 40 -10.344 -14.883 -2.187 1.00 0.00 C ATOM 629 O GLN A 40 -11.407 -14.263 -2.185 1.00 0.00 O ATOM 630 CB GLN A 40 -9.909 -17.271 -1.598 1.00 0.00 C ATOM 631 CG GLN A 40 -10.594 -18.622 -1.707 1.00 0.00 C ATOM 632 CD GLN A 40 -11.682 -18.816 -0.667 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.893 -19.925 -0.177 1.00 0.00 O ATOM 634 NE2 GLN A 40 -12.381 -17.738 -0.324 1.00 0.00 N ATOM 0 H GLN A 40 -8.425 -16.854 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.255 -16.574 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.829 -17.420 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.171 -16.816 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.027 -18.726 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.850 -19.411 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.173 -16.837 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.125 -17.812 0.370 1.00 0.00 H new ATOM 643 N PRO A 41 -9.209 -14.339 -1.728 1.00 0.00 N ATOM 644 CA PRO A 41 -9.158 -12.977 -1.193 1.00 0.00 C ATOM 645 C PRO A 41 -9.435 -11.924 -2.277 1.00 0.00 C ATOM 646 O PRO A 41 -10.499 -11.949 -2.897 1.00 0.00 O ATOM 647 CB PRO A 41 -7.743 -12.876 -0.621 1.00 0.00 C ATOM 648 CG PRO A 41 -6.951 -13.877 -1.375 1.00 0.00 C ATOM 649 CD PRO A 41 -7.892 -14.999 -1.695 1.00 0.00 C ATOM 0 HA PRO A 41 -9.924 -12.784 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.336 -11.873 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.733 -13.089 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.540 -13.442 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.108 -14.233 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.652 -15.465 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.854 -15.784 -0.939 1.00 0.00 H new ATOM 657 N ASP A 42 -8.500 -10.995 -2.513 1.00 0.00 N ATOM 658 CA ASP A 42 -8.704 -9.959 -3.520 1.00 0.00 C ATOM 659 C ASP A 42 -9.999 -9.198 -3.234 1.00 0.00 C ATOM 660 O ASP A 42 -10.911 -9.167 -4.061 1.00 0.00 O ATOM 661 CB ASP A 42 -8.739 -10.584 -4.919 1.00 0.00 C ATOM 662 CG ASP A 42 -8.889 -9.553 -6.021 1.00 0.00 C ATOM 663 OD1 ASP A 42 -8.230 -8.498 -5.937 1.00 0.00 O ATOM 664 OD2 ASP A 42 -9.663 -9.803 -6.968 1.00 0.00 O ATOM 0 H ASP A 42 -7.606 -10.943 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.874 -9.254 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.823 -11.151 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.566 -11.292 -4.975 1.00 0.00 H new ATOM 669 N TRP A 43 -10.066 -8.592 -2.048 1.00 0.00 N ATOM 670 CA TRP A 43 -11.246 -7.832 -1.636 1.00 0.00 C ATOM 671 C TRP A 43 -11.261 -6.464 -2.309 1.00 0.00 C ATOM 672 O TRP A 43 -10.240 -6.005 -2.818 1.00 0.00 O ATOM 673 CB TRP A 43 -11.323 -7.675 -0.100 1.00 0.00 C ATOM 674 CG TRP A 43 -9.998 -7.566 0.602 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.079 -8.557 0.770 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.459 -6.406 1.256 1.00 0.00 C ATOM 677 NE1 TRP A 43 -7.997 -8.088 1.474 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.208 -6.773 1.789 1.00 0.00 C ATOM 679 CE3 TRP A 43 -9.908 -5.093 1.438 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.404 -5.878 2.493 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.107 -4.205 2.135 1.00 0.00 C ATOM 682 CH2 TRP A 43 -7.869 -4.602 2.655 1.00 0.00 C ATOM 0 H TRP A 43 -9.317 -8.613 -1.356 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.124 -8.395 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.911 -6.786 0.129 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.863 -8.529 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.186 -9.567 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.170 -8.632 1.722 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.862 -4.778 1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.449 -6.181 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.443 -3.189 2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.268 -3.885 3.196 1.00 0.00 H new ATOM 693 N THR A 44 -12.422 -5.815 -2.311 1.00 0.00 N ATOM 694 CA THR A 44 -12.554 -4.501 -2.928 1.00 0.00 C ATOM 695 C THR A 44 -12.723 -3.426 -1.862 1.00 0.00 C ATOM 696 O THR A 44 -13.607 -3.514 -1.009 1.00 0.00 O ATOM 697 CB THR A 44 -13.746 -4.483 -3.888 1.00 0.00 C ATOM 698 OG1 THR A 44 -13.807 -3.248 -4.589 1.00 0.00 O ATOM 699 CG2 THR A 44 -15.077 -4.699 -3.196 1.00 0.00 C ATOM 0 H THR A 44 -13.280 -6.176 -1.894 1.00 0.00 H new ATOM 0 HA THR A 44 -11.645 -4.292 -3.492 1.00 0.00 H new ATOM 0 HB THR A 44 -13.581 -5.313 -4.574 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.574 -3.256 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.879 -4.675 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.074 -5.667 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.237 -3.911 -2.460 1.00 0.00 H new ATOM 707 N GLY A 45 -11.862 -2.415 -1.911 1.00 0.00 N ATOM 708 CA GLY A 45 -11.924 -1.339 -0.941 1.00 0.00 C ATOM 709 C GLY A 45 -10.947 -0.223 -1.248 1.00 0.00 C ATOM 710 O GLY A 45 -10.167 -0.311 -2.196 1.00 0.00 O ATOM 0 H GLY A 45 -11.122 -2.322 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.936 -0.935 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.715 -1.737 0.052 1.00 0.00 H new ATOM 714 N ARG A 46 -11.001 0.833 -0.448 1.00 0.00 N ATOM 715 CA ARG A 46 -10.128 1.984 -0.637 1.00 0.00 C ATOM 716 C ARG A 46 -8.955 1.954 0.336 1.00 0.00 C ATOM 717 O ARG A 46 -9.138 1.755 1.537 1.00 0.00 O ATOM 718 CB ARG A 46 -10.924 3.274 -0.449 1.00 0.00 C ATOM 719 CG ARG A 46 -10.087 4.535 -0.598 1.00 0.00 C ATOM 720 CD ARG A 46 -9.878 5.225 0.736 1.00 0.00 C ATOM 721 NE ARG A 46 -10.856 6.289 0.956 1.00 0.00 N ATOM 722 CZ ARG A 46 -11.291 6.664 2.156 1.00 0.00 C ATOM 723 NH1 ARG A 46 -10.830 6.076 3.254 1.00 0.00 N ATOM 724 NH2 ARG A 46 -12.187 7.635 2.260 1.00 0.00 N ATOM 0 H ARG A 46 -11.642 0.917 0.341 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.729 1.944 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.736 3.299 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.382 3.267 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.120 4.282 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.578 5.219 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.951 4.492 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.872 5.642 0.776 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.228 6.774 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.137 5.331 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.169 6.369 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.542 8.093 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.522 7.924 3.179 1.00 0.00 H new ATOM 738 N LEU A 47 -7.752 2.162 -0.187 1.00 0.00 N ATOM 739 CA LEU A 47 -6.555 2.167 0.642 1.00 0.00 C ATOM 740 C LEU A 47 -5.793 3.474 0.470 1.00 0.00 C ATOM 741 O LEU A 47 -5.652 3.982 -0.643 1.00 0.00 O ATOM 742 CB LEU A 47 -5.651 0.976 0.303 1.00 0.00 C ATOM 743 CG LEU A 47 -5.238 0.127 1.508 1.00 0.00 C ATOM 744 CD1 LEU A 47 -6.365 -0.814 1.904 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.969 -0.654 1.203 1.00 0.00 C ATOM 0 H LEU A 47 -7.581 2.329 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.864 2.077 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.166 0.338 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.752 1.347 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.034 0.793 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.056 -1.411 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.249 -0.233 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.599 -1.474 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.692 -1.251 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.142 -1.311 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.162 0.040 0.967 1.00 0.00 H new ATOM 757 N ARG A 48 -5.313 4.020 1.579 1.00 0.00 N ATOM 758 CA ARG A 48 -4.576 5.274 1.547 1.00 0.00 C ATOM 759 C ARG A 48 -3.648 5.399 2.749 1.00 0.00 C ATOM 760 O ARG A 48 -3.847 4.739 3.769 1.00 0.00 O ATOM 761 CB ARG A 48 -5.553 6.449 1.511 1.00 0.00 C ATOM 762 CG ARG A 48 -6.525 6.479 2.677 1.00 0.00 C ATOM 763 CD ARG A 48 -6.194 7.598 3.653 1.00 0.00 C ATOM 764 NE ARG A 48 -7.397 8.282 4.128 1.00 0.00 N ATOM 765 CZ ARG A 48 -7.818 9.461 3.669 1.00 0.00 C ATOM 766 NH1 ARG A 48 -7.145 10.099 2.719 1.00 0.00 N ATOM 767 NH2 ARG A 48 -8.924 10.004 4.164 1.00 0.00 N ATOM 0 H ARG A 48 -5.421 3.615 2.509 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.962 5.287 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.986 7.380 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.119 6.409 0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.540 6.611 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.499 5.522 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.650 7.188 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.534 8.318 3.169 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.948 7.828 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.296 9.688 2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.477 11.000 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.448 9.519 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.249 10.906 3.816 1.00 0.00 H new ATOM 781 N ILE A 49 -2.636 6.253 2.627 1.00 0.00 N ATOM 782 CA ILE A 49 -1.689 6.463 3.712 1.00 0.00 C ATOM 783 C ILE A 49 -1.442 7.952 3.937 1.00 0.00 C ATOM 784 O ILE A 49 -1.568 8.758 3.015 1.00 0.00 O ATOM 785 CB ILE A 49 -0.349 5.740 3.451 1.00 0.00 C ATOM 786 CG1 ILE A 49 0.339 6.289 2.200 1.00 0.00 C ATOM 787 CG2 ILE A 49 -0.575 4.240 3.315 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.846 6.162 2.253 1.00 0.00 C ATOM 0 H ILE A 49 -2.453 6.808 1.791 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.133 6.037 4.612 1.00 0.00 H new ATOM 0 HB ILE A 49 0.305 5.922 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.035 5.759 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.072 7.338 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.378 3.744 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.014 3.853 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.251 4.048 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.278 6.568 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.228 6.715 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.119 5.111 2.348 1.00 0.00 H new ATOM 800 N THR A 50 -1.097 8.308 5.171 1.00 0.00 N ATOM 801 CA THR A 50 -0.841 9.703 5.524 1.00 0.00 C ATOM 802 C THR A 50 -0.044 9.804 6.818 1.00 0.00 C ATOM 803 O THR A 50 0.054 8.840 7.578 1.00 0.00 O ATOM 804 CB THR A 50 -2.155 10.473 5.669 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.199 9.613 6.090 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.597 11.142 4.388 1.00 0.00 C ATOM 0 H THR A 50 -0.988 7.651 5.944 1.00 0.00 H new ATOM 0 HA THR A 50 -0.255 10.144 4.718 1.00 0.00 H new ATOM 0 HB THR A 50 -1.958 11.244 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.030 10.126 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.535 11.671 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.834 11.851 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.741 10.388 3.615 1.00 0.00 H new ATOM 814 N SER A 51 0.526 10.980 7.059 1.00 0.00 N ATOM 815 CA SER A 51 1.324 11.214 8.257 1.00 0.00 C ATOM 816 C SER A 51 1.251 12.677 8.689 1.00 0.00 C ATOM 817 O SER A 51 1.427 13.584 7.873 1.00 0.00 O ATOM 818 CB SER A 51 2.782 10.827 7.997 1.00 0.00 C ATOM 819 OG SER A 51 2.886 9.929 6.904 1.00 0.00 O ATOM 0 H SER A 51 0.450 11.787 6.440 1.00 0.00 H new ATOM 0 HA SER A 51 0.919 10.597 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.368 11.723 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.204 10.367 8.891 1.00 0.00 H new ATOM 0 HG SER A 51 3.827 9.699 6.758 1.00 0.00 H new ATOM 825 N LYS A 52 1.008 12.904 9.978 1.00 0.00 N ATOM 826 CA LYS A 52 0.935 14.259 10.510 1.00 0.00 C ATOM 827 C LYS A 52 2.254 14.983 10.262 1.00 0.00 C ATOM 828 O LYS A 52 2.298 16.009 9.582 1.00 0.00 O ATOM 829 CB LYS A 52 0.621 14.229 12.012 1.00 0.00 C ATOM 830 CG LYS A 52 -0.123 15.458 12.523 1.00 0.00 C ATOM 831 CD LYS A 52 0.703 16.731 12.390 1.00 0.00 C ATOM 832 CE LYS A 52 -0.112 17.865 11.785 1.00 0.00 C ATOM 833 NZ LYS A 52 0.464 18.343 10.497 1.00 0.00 N ATOM 0 H LYS A 52 0.859 12.169 10.669 1.00 0.00 H new ATOM 0 HA LYS A 52 0.133 14.794 10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.026 13.342 12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.555 14.129 12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.055 15.572 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.391 15.309 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.072 17.030 13.371 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.576 16.536 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.136 17.528 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.159 18.694 12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.306 18.573 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.039 19.192 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.061 17.597 10.086 1.00 0.00 H new ATOM 847 N GLY A 53 3.330 14.432 10.815 1.00 0.00 N ATOM 848 CA GLY A 53 4.640 15.030 10.646 1.00 0.00 C ATOM 849 C GLY A 53 5.753 14.152 11.188 1.00 0.00 C ATOM 850 O GLY A 53 6.627 13.712 10.440 1.00 0.00 O ATOM 0 H GLY A 53 3.317 13.581 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.815 15.221 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.664 15.995 11.152 1.00 0.00 H new ATOM 854 N LYS A 54 5.724 13.901 12.494 1.00 0.00 N ATOM 855 CA LYS A 54 6.740 13.075 13.136 1.00 0.00 C ATOM 856 C LYS A 54 6.357 11.598 13.080 1.00 0.00 C ATOM 857 O LYS A 54 7.217 10.727 12.955 1.00 0.00 O ATOM 858 CB LYS A 54 6.932 13.512 14.589 1.00 0.00 C ATOM 859 CG LYS A 54 5.707 13.286 15.458 1.00 0.00 C ATOM 860 CD LYS A 54 5.527 14.400 16.478 1.00 0.00 C ATOM 861 CE LYS A 54 5.176 13.851 17.854 1.00 0.00 C ATOM 862 NZ LYS A 54 4.180 12.744 17.781 1.00 0.00 N ATOM 0 H LYS A 54 5.008 14.258 13.127 1.00 0.00 H new ATOM 0 HA LYS A 54 7.678 13.206 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.775 12.968 15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.192 14.570 14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.820 13.223 14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.799 12.331 15.975 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.444 14.986 16.543 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.740 15.076 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.082 13.491 18.342 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.779 14.655 18.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.603 12.738 18.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.564 12.885 16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.677 11.835 17.690 1.00 0.00 H new ATOM 876 N ILE A 55 5.057 11.326 13.173 1.00 0.00 N ATOM 877 CA ILE A 55 4.556 9.955 13.130 1.00 0.00 C ATOM 878 C ILE A 55 3.766 9.696 11.848 1.00 0.00 C ATOM 879 O ILE A 55 3.535 10.610 11.056 1.00 0.00 O ATOM 880 CB ILE A 55 3.662 9.630 14.344 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.490 10.610 14.431 1.00 0.00 C ATOM 882 CG2 ILE A 55 4.480 9.661 15.627 1.00 0.00 C ATOM 883 CD1 ILE A 55 1.207 10.069 13.839 1.00 0.00 C ATOM 0 H ILE A 55 4.333 12.036 13.278 1.00 0.00 H new ATOM 0 HA ILE A 55 5.431 9.306 13.156 1.00 0.00 H new ATOM 0 HB ILE A 55 3.257 8.626 14.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.319 10.867 15.476 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.758 11.532 13.915 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.836 9.430 16.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.279 8.922 15.567 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.912 10.653 15.759 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.419 10.816 13.935 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.362 9.838 12.785 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.915 9.163 14.370 1.00 0.00 H new ATOM 895 N ALA A 56 3.357 8.443 11.648 1.00 0.00 N ATOM 896 CA ALA A 56 2.598 8.063 10.461 1.00 0.00 C ATOM 897 C ALA A 56 1.667 6.898 10.750 1.00 0.00 C ATOM 898 O ALA A 56 1.829 6.187 11.742 1.00 0.00 O ATOM 899 CB ALA A 56 3.530 7.698 9.317 1.00 0.00 C ATOM 0 H ALA A 56 3.540 7.675 12.294 1.00 0.00 H new ATOM 0 HA ALA A 56 1.997 8.925 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.941 7.418 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.158 8.554 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.160 6.859 9.614 1.00 0.00 H new ATOM 905 N TYR A 57 0.688 6.712 9.875 1.00 0.00 N ATOM 906 CA TYR A 57 -0.274 5.636 10.035 1.00 0.00 C ATOM 907 C TYR A 57 -1.074 5.417 8.754 1.00 0.00 C ATOM 908 O TYR A 57 -1.296 6.347 7.979 1.00 0.00 O ATOM 909 CB TYR A 57 -1.208 5.939 11.207 1.00 0.00 C ATOM 910 CG TYR A 57 -2.031 7.193 11.042 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.427 8.436 10.898 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.416 7.132 11.043 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.185 9.583 10.758 1.00 0.00 C ATOM 914 CE2 TYR A 57 -4.180 8.274 10.904 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.560 9.496 10.761 1.00 0.00 C ATOM 916 OH TYR A 57 -4.319 10.636 10.626 1.00 0.00 O ATOM 0 H TYR A 57 0.541 7.292 9.049 1.00 0.00 H new ATOM 0 HA TYR A 57 0.272 4.717 10.247 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.881 5.093 11.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.613 6.027 12.116 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.349 8.507 10.895 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.905 6.176 11.154 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.702 10.543 10.647 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.258 8.209 10.907 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.270 10.400 10.647 1.00 0.00 H new ATOM 926 N ILE A 58 -1.501 4.177 8.539 1.00 0.00 N ATOM 927 CA ILE A 58 -2.273 3.831 7.352 1.00 0.00 C ATOM 928 C ILE A 58 -3.732 3.577 7.708 1.00 0.00 C ATOM 929 O ILE A 58 -4.032 2.984 8.742 1.00 0.00 O ATOM 930 CB ILE A 58 -1.698 2.585 6.653 1.00 0.00 C ATOM 931 CG1 ILE A 58 -1.796 1.361 7.569 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.255 2.832 6.244 1.00 0.00 C ATOM 933 CD1 ILE A 58 -2.576 0.214 6.963 1.00 0.00 C ATOM 0 H ILE A 58 -1.325 3.396 9.171 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.210 4.679 6.670 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.285 2.387 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.790 1.018 7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.268 1.656 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.141 1.944 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.211 3.678 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.342 3.051 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.605 -0.618 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.593 0.540 6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.093 -0.107 6.040 1.00 0.00 H new ATOM 945 N LYS A 59 -4.637 4.027 6.847 1.00 0.00 N ATOM 946 CA LYS A 59 -6.063 3.843 7.084 1.00 0.00 C ATOM 947 C LYS A 59 -6.738 3.180 5.890 1.00 0.00 C ATOM 948 O LYS A 59 -6.338 3.382 4.743 1.00 0.00 O ATOM 949 CB LYS A 59 -6.729 5.187 7.390 1.00 0.00 C ATOM 950 CG LYS A 59 -5.972 6.016 8.413 1.00 0.00 C ATOM 951 CD LYS A 59 -6.913 6.808 9.311 1.00 0.00 C ATOM 952 CE LYS A 59 -7.215 8.197 8.758 1.00 0.00 C ATOM 953 NZ LYS A 59 -5.983 8.945 8.369 1.00 0.00 N ATOM 0 H LYS A 59 -4.410 4.519 5.983 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.179 3.186 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.820 5.758 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.740 5.008 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.353 5.360 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.299 6.702 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.846 6.257 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.470 6.903 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.867 8.103 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.761 8.770 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.185 9.965 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.226 8.748 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.679 8.644 7.421 1.00 0.00 H new ATOM 967 N LEU A 60 -7.765 2.389 6.173 1.00 0.00 N ATOM 968 CA LEU A 60 -8.505 1.693 5.131 1.00 0.00 C ATOM 969 C LEU A 60 -10.002 1.921 5.289 1.00 0.00 C ATOM 970 O LEU A 60 -10.471 2.344 6.348 1.00 0.00 O ATOM 971 CB LEU A 60 -8.198 0.194 5.162 1.00 0.00 C ATOM 972 CG LEU A 60 -8.414 -0.488 6.514 1.00 0.00 C ATOM 973 CD1 LEU A 60 -9.291 -1.721 6.357 1.00 0.00 C ATOM 974 CD2 LEU A 60 -7.078 -0.858 7.143 1.00 0.00 C ATOM 0 H LEU A 60 -8.104 2.214 7.119 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.191 2.096 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.821 -0.303 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.161 0.046 4.860 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.924 0.212 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.433 -2.193 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.259 -1.429 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.810 -2.426 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.250 -1.342 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.542 -1.541 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.484 0.044 7.292 1.00 0.00 H new ATOM 986 N GLU A 61 -10.744 1.643 4.225 1.00 0.00 N ATOM 987 CA GLU A 61 -12.189 1.821 4.228 1.00 0.00 C ATOM 988 C GLU A 61 -12.778 1.363 2.900 1.00 0.00 C ATOM 989 O GLU A 61 -12.065 1.245 1.903 1.00 0.00 O ATOM 990 CB GLU A 61 -12.538 3.292 4.475 1.00 0.00 C ATOM 991 CG GLU A 61 -13.439 3.518 5.678 1.00 0.00 C ATOM 992 CD GLU A 61 -13.786 4.982 5.876 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.096 5.659 4.874 1.00 0.00 O ATOM 994 OE2 GLU A 61 -13.749 5.449 7.031 1.00 0.00 O ATOM 0 H GLU A 61 -10.366 1.292 3.345 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.614 1.217 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.615 3.856 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.027 3.693 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.357 2.944 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.946 3.140 6.574 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.081 1.118 2.882 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.751 0.690 1.662 1.00 0.00 C ATOM 1003 C ASP A 62 -15.076 1.894 0.792 1.00 0.00 C ATOM 1004 O ASP A 62 -15.683 2.861 1.251 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.033 -0.086 1.982 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.772 -0.547 0.740 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.273 -0.298 -0.378 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.853 -1.155 0.887 1.00 0.00 O ATOM 0 H ASP A 62 -14.692 1.208 3.694 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.076 0.028 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.783 -0.954 2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.693 0.544 2.578 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.676 1.825 -0.467 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.928 2.902 -1.412 1.00 0.00 C ATOM 1015 C LYS A 63 -16.430 3.110 -1.650 1.00 0.00 C ATOM 1016 O LYS A 63 -16.829 3.994 -2.406 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.221 2.596 -2.728 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.309 3.721 -3.738 1.00 0.00 C ATOM 1019 CD LYS A 63 -15.319 3.412 -4.824 1.00 0.00 C ATOM 1020 CE LYS A 63 -14.920 2.177 -5.615 1.00 0.00 C ATOM 1021 NZ LYS A 63 -15.830 1.030 -5.348 1.00 0.00 N ATOM 0 H LYS A 63 -14.173 1.030 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.536 3.827 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.172 2.381 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.653 1.694 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.588 4.645 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.329 3.887 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.301 3.258 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.405 4.265 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.931 2.409 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.898 1.897 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.281 0.147 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.293 1.162 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.552 0.979 -6.094 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.258 2.289 -1.007 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.706 2.378 -1.157 1.00 0.00 C ATOM 1037 C VAL A 64 -19.278 3.562 -0.375 1.00 0.00 C ATOM 1038 O VAL A 64 -19.796 4.510 -0.965 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.376 1.066 -0.683 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.895 1.189 -0.636 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.962 -0.089 -1.585 1.00 0.00 C ATOM 0 H VAL A 64 -16.947 1.552 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.920 2.533 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.035 0.867 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.326 0.246 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.174 1.984 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.272 1.424 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -19.439 -1.007 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -19.271 0.120 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.879 -0.208 -1.550 1.00 0.00 H new ATOM 1051 N SER A 65 -19.191 3.503 0.950 1.00 0.00 N ATOM 1052 CA SER A 65 -19.712 4.577 1.793 1.00 0.00 C ATOM 1053 C SER A 65 -19.291 4.394 3.250 1.00 0.00 C ATOM 1054 O SER A 65 -20.134 4.283 4.141 1.00 0.00 O ATOM 1055 CB SER A 65 -21.240 4.634 1.695 1.00 0.00 C ATOM 1056 OG SER A 65 -21.821 3.337 1.736 1.00 0.00 O ATOM 0 H SER A 65 -18.768 2.729 1.462 1.00 0.00 H new ATOM 0 HA SER A 65 -19.292 5.517 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.634 5.235 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.526 5.131 0.768 1.00 0.00 H new ATOM 0 HG SER A 65 -22.796 3.413 1.673 1.00 0.00 H new ATOM 1062 N GLY A 66 -17.983 4.377 3.484 1.00 0.00 N ATOM 1063 CA GLY A 66 -17.466 4.221 4.833 1.00 0.00 C ATOM 1064 C GLY A 66 -17.743 2.846 5.427 1.00 0.00 C ATOM 1065 O GLY A 66 -18.787 2.626 6.041 1.00 0.00 O ATOM 0 H GLY A 66 -17.269 4.469 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.390 4.396 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.908 4.983 5.475 1.00 0.00 H new ATOM 1069 N GLU A 67 -16.787 1.933 5.268 1.00 0.00 N ATOM 1070 CA GLU A 67 -16.895 0.577 5.813 1.00 0.00 C ATOM 1071 C GLU A 67 -16.598 0.569 7.308 1.00 0.00 C ATOM 1072 O GLU A 67 -16.413 1.618 7.926 1.00 0.00 O ATOM 1073 CB GLU A 67 -15.893 -0.343 5.102 1.00 0.00 C ATOM 1074 CG GLU A 67 -16.285 -1.817 5.018 1.00 0.00 C ATOM 1075 CD GLU A 67 -17.709 -2.043 4.546 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -18.649 -1.690 5.287 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -17.883 -2.589 3.436 1.00 0.00 O ATOM 0 H GLU A 67 -15.919 2.109 4.761 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.913 0.223 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.741 0.031 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.934 -0.270 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.601 -2.328 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.160 -2.274 6.000 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.534 -0.637 7.869 1.00 0.00 N ATOM 1085 CA LEU A 68 -16.236 -0.838 9.286 1.00 0.00 C ATOM 1086 C LEU A 68 -15.170 0.147 9.781 1.00 0.00 C ATOM 1087 O LEU A 68 -15.184 0.547 10.944 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.746 -2.271 9.513 1.00 0.00 C ATOM 1089 CG LEU A 68 -14.530 -2.664 8.667 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -13.290 -2.794 9.539 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -14.789 -3.958 7.905 1.00 0.00 C ATOM 0 H LEU A 68 -16.687 -1.504 7.353 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.153 -0.662 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.496 -2.394 10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.562 -2.960 9.297 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.357 -1.873 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.438 -3.074 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.087 -1.841 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.456 -3.561 10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.910 -4.214 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.997 -4.761 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.646 -3.826 7.244 1.00 0.00 H new ATOM 1103 N PHE A 69 -14.248 0.530 8.889 1.00 0.00 N ATOM 1104 CA PHE A 69 -13.174 1.471 9.224 1.00 0.00 C ATOM 1105 C PHE A 69 -12.064 0.782 10.008 1.00 0.00 C ATOM 1106 O PHE A 69 -12.314 0.151 11.034 1.00 0.00 O ATOM 1107 CB PHE A 69 -13.719 2.667 10.021 1.00 0.00 C ATOM 1108 CG PHE A 69 -12.690 3.712 10.362 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -11.652 3.430 11.236 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -12.771 4.982 9.814 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -10.715 4.394 11.555 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -11.835 5.950 10.128 1.00 0.00 C ATOM 1113 CZ PHE A 69 -10.806 5.656 11.000 1.00 0.00 C ATOM 0 H PHE A 69 -14.225 0.200 7.924 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.757 1.839 8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.518 3.136 9.447 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.164 2.299 10.945 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.575 2.445 11.673 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.575 5.219 9.133 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.912 4.161 12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.909 6.935 9.692 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.074 6.410 11.248 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.834 0.923 9.523 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.678 0.333 10.185 1.00 0.00 C ATOM 1125 C ALA A 70 -8.392 1.031 9.755 1.00 0.00 C ATOM 1126 O ALA A 70 -8.333 1.640 8.688 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.595 -1.157 9.896 1.00 0.00 C ATOM 0 H ALA A 70 -10.613 1.442 8.673 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.799 0.469 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.725 -1.577 10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.497 -1.649 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.503 -1.315 8.821 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.367 0.940 10.593 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.084 1.564 10.298 1.00 0.00 C ATOM 1135 C GLN A 71 -4.980 0.969 11.170 1.00 0.00 C ATOM 1136 O GLN A 71 -5.257 0.329 12.184 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.171 3.080 10.506 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.868 3.485 11.794 1.00 0.00 C ATOM 1139 CD GLN A 71 -6.520 4.899 12.220 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -7.467 5.817 12.058 1.00 0.00 O flip ATOM 1141 NE2 GLN A 71 -5.413 5.163 12.688 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.399 0.440 11.482 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.838 1.367 9.255 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.163 3.496 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.701 3.523 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.947 3.404 11.661 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.591 2.791 12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.716 4.426 12.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.193 6.118 12.969 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.731 1.179 10.766 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.585 0.658 11.508 1.00 0.00 C ATOM 1152 C ALA A 72 -1.549 1.753 11.754 1.00 0.00 C ATOM 1153 O ALA A 72 -0.709 2.023 10.897 1.00 0.00 O ATOM 1154 CB ALA A 72 -1.952 -0.506 10.758 1.00 0.00 C ATOM 0 H ALA A 72 -3.485 1.707 9.928 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.942 0.302 12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.100 -0.883 11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.686 -1.302 10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.616 -0.168 9.778 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.597 2.406 12.929 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.658 3.477 13.267 1.00 0.00 C ATOM 1162 C PRO A 73 0.768 2.981 13.457 1.00 0.00 C ATOM 1163 O PRO A 73 0.999 1.885 13.966 1.00 0.00 O ATOM 1164 CB PRO A 73 -1.210 4.048 14.574 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.999 2.935 15.170 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.569 2.163 14.011 1.00 0.00 C ATOM 0 HA PRO A 73 -0.588 4.211 12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.406 4.364 15.239 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.834 4.923 14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.368 2.298 15.790 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.793 3.319 15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.658 1.101 14.240 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.565 2.516 13.744 1.00 0.00 H new ATOM 1174 N VAL A 74 1.723 3.804 13.036 1.00 0.00 N ATOM 1175 CA VAL A 74 3.133 3.464 13.152 1.00 0.00 C ATOM 1176 C VAL A 74 3.934 4.626 13.731 1.00 0.00 C ATOM 1177 O VAL A 74 3.514 5.780 13.663 1.00 0.00 O ATOM 1178 CB VAL A 74 3.730 3.068 11.788 1.00 0.00 C ATOM 1179 CG1 VAL A 74 3.077 1.797 11.268 1.00 0.00 C ATOM 1180 CG2 VAL A 74 3.577 4.203 10.787 1.00 0.00 C ATOM 0 H VAL A 74 1.543 4.713 12.610 1.00 0.00 H new ATOM 0 HA VAL A 74 3.198 2.611 13.828 1.00 0.00 H new ATOM 0 HB VAL A 74 4.794 2.874 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.511 1.533 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.245 0.986 11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.006 1.960 11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.005 3.904 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.520 4.433 10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.097 5.087 11.157 1.00 0.00 H new ATOM 1190 N GLU A 75 5.090 4.307 14.299 1.00 0.00 N ATOM 1191 CA GLU A 75 5.966 5.311 14.896 1.00 0.00 C ATOM 1192 C GLU A 75 6.659 6.159 13.825 1.00 0.00 C ATOM 1193 O GLU A 75 7.379 7.105 14.144 1.00 0.00 O ATOM 1194 CB GLU A 75 7.014 4.631 15.782 1.00 0.00 C ATOM 1195 CG GLU A 75 7.211 5.303 17.132 1.00 0.00 C ATOM 1196 CD GLU A 75 5.963 5.268 17.993 1.00 0.00 C ATOM 1197 OE1 GLU A 75 4.874 4.989 17.450 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.077 5.518 19.211 1.00 0.00 O ATOM 0 H GLU A 75 5.446 3.353 14.360 1.00 0.00 H new ATOM 0 HA GLU A 75 5.350 5.974 15.504 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.721 3.594 15.943 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.967 4.615 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.027 4.811 17.662 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.511 6.339 16.977 1.00 0.00 H new ATOM 1205 N GLN A 76 6.441 5.818 12.554 1.00 0.00 N ATOM 1206 CA GLN A 76 7.046 6.556 11.449 1.00 0.00 C ATOM 1207 C GLN A 76 8.559 6.610 11.583 1.00 0.00 C ATOM 1208 O GLN A 76 9.118 7.631 11.989 1.00 0.00 O ATOM 1209 CB GLN A 76 6.498 7.976 11.401 1.00 0.00 C ATOM 1210 CG GLN A 76 6.561 8.610 10.024 1.00 0.00 C ATOM 1211 CD GLN A 76 7.589 9.722 9.940 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.267 10.767 9.188 1.00 0.00 O flip ATOM 1213 NE2 GLN A 76 8.658 9.644 10.545 1.00 0.00 N flip ATOM 0 H GLN A 76 5.851 5.037 12.267 1.00 0.00 H new ATOM 0 HA GLN A 76 6.795 6.032 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.462 7.967 11.740 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.058 8.595 12.102 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.799 7.844 9.286 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.579 9.007 9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.864 8.822 11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.338 10.402 10.479 1.00 0.00 H new ATOM 1222 N TYR A 77 9.224 5.517 11.240 1.00 0.00 N ATOM 1223 CA TYR A 77 10.674 5.465 11.329 1.00 0.00 C ATOM 1224 C TYR A 77 11.240 4.353 10.436 1.00 0.00 C ATOM 1225 O TYR A 77 11.938 4.639 9.462 1.00 0.00 O ATOM 1226 CB TYR A 77 11.097 5.310 12.799 1.00 0.00 C ATOM 1227 CG TYR A 77 12.561 5.573 13.068 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.546 5.160 12.180 1.00 0.00 C ATOM 1229 CD2 TYR A 77 12.958 6.232 14.226 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.879 5.395 12.436 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.293 6.473 14.487 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.249 6.050 13.589 1.00 0.00 C ATOM 1233 OH TYR A 77 16.580 6.284 13.845 1.00 0.00 O ATOM 0 H TYR A 77 8.786 4.661 10.900 1.00 0.00 H new ATOM 0 HA TYR A 77 11.093 6.401 10.958 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.502 5.991 13.407 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.858 4.298 13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.262 4.646 11.274 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.211 6.561 14.933 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.631 5.066 11.734 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.586 6.990 15.389 1.00 0.00 H new ATOM 0 HH TYR A 77 16.671 6.757 14.698 1.00 0.00 H new ATOM 1243 N PRO A 78 10.954 3.073 10.734 1.00 0.00 N ATOM 1244 CA PRO A 78 11.446 1.947 9.926 1.00 0.00 C ATOM 1245 C PRO A 78 10.709 1.823 8.591 1.00 0.00 C ATOM 1246 O PRO A 78 10.106 0.793 8.305 1.00 0.00 O ATOM 1247 CB PRO A 78 11.134 0.737 10.806 1.00 0.00 C ATOM 1248 CG PRO A 78 9.929 1.154 11.565 1.00 0.00 C ATOM 1249 CD PRO A 78 10.134 2.608 11.867 1.00 0.00 C ATOM 0 HA PRO A 78 12.499 2.057 9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.942 -0.154 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.964 0.501 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.023 0.998 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.821 0.574 12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.187 3.145 11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.643 2.754 12.820 1.00 0.00 H new ATOM 1257 N GLY A 79 10.766 2.869 7.771 1.00 0.00 N ATOM 1258 CA GLY A 79 10.095 2.827 6.481 1.00 0.00 C ATOM 1259 C GLY A 79 10.741 1.832 5.530 1.00 0.00 C ATOM 1260 O GLY A 79 11.780 2.120 4.938 1.00 0.00 O ATOM 0 H GLY A 79 11.260 3.738 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.048 2.561 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.112 3.820 6.032 1.00 0.00 H new ATOM 1264 N ILE A 80 10.123 0.659 5.395 1.00 0.00 N ATOM 1265 CA ILE A 80 10.634 -0.393 4.528 1.00 0.00 C ATOM 1266 C ILE A 80 9.753 -1.642 4.647 1.00 0.00 C ATOM 1267 O ILE A 80 8.764 -1.632 5.382 1.00 0.00 O ATOM 1268 CB ILE A 80 12.107 -0.734 4.889 1.00 0.00 C ATOM 1269 CG1 ILE A 80 12.808 -1.551 3.791 1.00 0.00 C ATOM 1270 CG2 ILE A 80 12.164 -1.479 6.211 1.00 0.00 C ATOM 1271 CD1 ILE A 80 12.485 -1.120 2.374 1.00 0.00 C ATOM 0 H ILE A 80 9.260 0.416 5.881 1.00 0.00 H new ATOM 0 HA ILE A 80 10.609 -0.039 3.498 1.00 0.00 H new ATOM 0 HB ILE A 80 12.642 0.211 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.886 -1.484 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.535 -2.600 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.201 -1.712 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.739 -0.856 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.593 -2.404 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.025 -1.753 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.413 -1.215 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.785 -0.082 2.232 1.00 0.00 H new ATOM 1283 N ALA A 81 10.116 -2.710 3.928 1.00 0.00 N ATOM 1284 CA ALA A 81 9.369 -3.971 3.949 1.00 0.00 C ATOM 1285 C ALA A 81 8.314 -3.995 2.848 1.00 0.00 C ATOM 1286 O ALA A 81 7.125 -3.799 3.101 1.00 0.00 O ATOM 1287 CB ALA A 81 8.738 -4.215 5.313 1.00 0.00 C ATOM 0 H ALA A 81 10.933 -2.724 3.317 1.00 0.00 H new ATOM 0 HA ALA A 81 10.074 -4.780 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.191 -5.158 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.519 -4.261 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.052 -3.401 5.547 1.00 0.00 H new ATOM 1293 N VAL A 82 8.767 -4.250 1.625 1.00 0.00 N ATOM 1294 CA VAL A 82 7.885 -4.316 0.464 1.00 0.00 C ATOM 1295 C VAL A 82 8.387 -5.366 -0.525 1.00 0.00 C ATOM 1296 O VAL A 82 9.586 -5.466 -0.777 1.00 0.00 O ATOM 1297 CB VAL A 82 7.799 -2.956 -0.268 1.00 0.00 C ATOM 1298 CG1 VAL A 82 7.152 -1.896 0.612 1.00 0.00 C ATOM 1299 CG2 VAL A 82 9.180 -2.507 -0.728 1.00 0.00 C ATOM 0 H VAL A 82 9.750 -4.416 1.411 1.00 0.00 H new ATOM 0 HA VAL A 82 6.894 -4.584 0.831 1.00 0.00 H new ATOM 0 HB VAL A 82 7.169 -3.087 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.106 -0.952 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.143 -2.211 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.743 -1.765 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.099 -1.549 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.835 -2.402 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.596 -3.249 -1.410 1.00 0.00 H new ATOM 1309 N GLU A 83 7.467 -6.139 -1.091 1.00 0.00 N ATOM 1310 CA GLU A 83 7.831 -7.168 -2.065 1.00 0.00 C ATOM 1311 C GLU A 83 6.867 -7.137 -3.245 1.00 0.00 C ATOM 1312 O GLU A 83 5.710 -6.746 -3.103 1.00 0.00 O ATOM 1313 CB GLU A 83 7.845 -8.558 -1.411 1.00 0.00 C ATOM 1314 CG GLU A 83 8.285 -9.681 -2.345 1.00 0.00 C ATOM 1315 CD GLU A 83 7.223 -10.752 -2.525 1.00 0.00 C ATOM 1316 OE1 GLU A 83 7.180 -11.691 -1.702 1.00 0.00 O ATOM 1317 OE2 GLU A 83 6.437 -10.654 -3.491 1.00 0.00 O ATOM 0 H GLU A 83 6.468 -6.075 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 83 8.836 -6.959 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.511 -8.535 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.846 -8.782 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.537 -9.259 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.192 -10.139 -1.952 1.00 0.00 H new ATOM 1324 N THR A 84 7.353 -7.531 -4.416 1.00 0.00 N ATOM 1325 CA THR A 84 6.532 -7.530 -5.614 1.00 0.00 C ATOM 1326 C THR A 84 6.647 -8.860 -6.345 1.00 0.00 C ATOM 1327 O THR A 84 7.129 -9.850 -5.794 1.00 0.00 O ATOM 1328 CB THR A 84 6.948 -6.378 -6.541 1.00 0.00 C ATOM 1329 OG1 THR A 84 8.064 -5.682 -6.013 1.00 0.00 O ATOM 1330 CG2 THR A 84 5.844 -5.368 -6.773 1.00 0.00 C ATOM 0 H THR A 84 8.310 -7.854 -4.558 1.00 0.00 H new ATOM 0 HA THR A 84 5.492 -7.388 -5.319 1.00 0.00 H new ATOM 0 HB THR A 84 7.194 -6.850 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.313 -4.954 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.204 -4.581 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.987 -5.864 -7.230 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.545 -4.931 -5.820 1.00 0.00 H new ATOM 1338 N VAL A 85 6.194 -8.874 -7.585 1.00 0.00 N ATOM 1339 CA VAL A 85 6.233 -10.067 -8.399 1.00 0.00 C ATOM 1340 C VAL A 85 7.668 -10.474 -8.727 1.00 0.00 C ATOM 1341 O VAL A 85 8.224 -10.100 -9.757 1.00 0.00 O ATOM 1342 CB VAL A 85 5.431 -9.839 -9.684 1.00 0.00 C ATOM 1343 CG1 VAL A 85 4.006 -9.451 -9.323 1.00 0.00 C ATOM 1344 CG2 VAL A 85 6.072 -8.762 -10.554 1.00 0.00 C ATOM 0 H VAL A 85 5.791 -8.061 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 85 5.784 -10.884 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 85 5.424 -10.764 -10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.431 -9.288 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.547 -10.252 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.017 -8.535 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.479 -8.624 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.113 -7.824 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.082 -9.068 -10.826 1.00 0.00 H new ATOM 1354 N THR A 86 8.263 -11.252 -7.830 1.00 0.00 N ATOM 1355 CA THR A 86 9.637 -11.717 -8.010 1.00 0.00 C ATOM 1356 C THR A 86 9.761 -12.635 -9.230 1.00 0.00 C ATOM 1357 O THR A 86 10.862 -13.043 -9.597 1.00 0.00 O ATOM 1358 CB THR A 86 10.141 -12.430 -6.747 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.662 -11.788 -5.577 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.651 -12.473 -6.646 1.00 0.00 C ATOM 0 H THR A 86 7.818 -11.575 -6.971 1.00 0.00 H new ATOM 0 HA THR A 86 10.261 -10.841 -8.185 1.00 0.00 H new ATOM 0 HB THR A 86 9.761 -13.449 -6.826 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.994 -12.260 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.940 -12.990 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.058 -13.003 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.044 -11.456 -6.627 1.00 0.00 H new ATOM 1368 N ASP A 87 8.627 -12.950 -9.859 1.00 0.00 N ATOM 1369 CA ASP A 87 8.615 -13.809 -11.040 1.00 0.00 C ATOM 1370 C ASP A 87 7.445 -13.462 -11.959 1.00 0.00 C ATOM 1371 O ASP A 87 7.027 -14.281 -12.778 1.00 0.00 O ATOM 1372 CB ASP A 87 8.513 -15.277 -10.634 1.00 0.00 C ATOM 1373 CG ASP A 87 7.551 -15.479 -9.487 1.00 0.00 C ATOM 1374 OD1 ASP A 87 6.329 -15.548 -9.739 1.00 0.00 O ATOM 1375 OD2 ASP A 87 8.019 -15.564 -8.336 1.00 0.00 O ATOM 0 H ASP A 87 7.706 -12.622 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 87 9.549 -13.643 -11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.187 -15.868 -11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.499 -15.644 -10.350 1.00 0.00 H new ATOM 1380 N SER A 88 6.924 -12.244 -11.822 1.00 0.00 N ATOM 1381 CA SER A 88 5.804 -11.778 -12.644 1.00 0.00 C ATOM 1382 C SER A 88 4.465 -12.306 -12.138 1.00 0.00 C ATOM 1383 O SER A 88 4.244 -13.515 -12.064 1.00 0.00 O ATOM 1384 CB SER A 88 5.996 -12.179 -14.110 1.00 0.00 C ATOM 1385 OG SER A 88 7.372 -12.275 -14.439 1.00 0.00 O ATOM 0 H SER A 88 7.260 -11.558 -11.147 1.00 0.00 H new ATOM 0 HA SER A 88 5.790 -10.691 -12.568 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.507 -13.136 -14.295 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.515 -11.445 -14.757 1.00 0.00 H new ATOM 0 HG SER A 88 7.466 -12.534 -15.379 1.00 0.00 H new ATOM 1391 N SER A 89 3.571 -11.379 -11.816 1.00 0.00 N ATOM 1392 CA SER A 89 2.234 -11.716 -11.339 1.00 0.00 C ATOM 1393 C SER A 89 1.366 -10.462 -11.280 1.00 0.00 C ATOM 1394 O SER A 89 1.863 -9.356 -11.072 1.00 0.00 O ATOM 1395 CB SER A 89 2.285 -12.394 -9.964 1.00 0.00 C ATOM 1396 OG SER A 89 0.987 -12.777 -9.539 1.00 0.00 O ATOM 0 H SER A 89 3.750 -10.377 -11.877 1.00 0.00 H new ATOM 0 HA SER A 89 1.793 -12.422 -12.043 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.930 -13.271 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.725 -11.713 -9.235 1.00 0.00 H new ATOM 0 HG SER A 89 0.858 -12.513 -8.604 1.00 0.00 H new ATOM 1402 N ARG A 90 0.069 -10.639 -11.480 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.872 -9.520 -11.463 1.00 0.00 C ATOM 1404 C ARG A 90 -1.208 -9.066 -10.041 1.00 0.00 C ATOM 1405 O ARG A 90 -2.310 -8.580 -9.784 1.00 0.00 O ATOM 1406 CB ARG A 90 -2.150 -9.908 -12.204 1.00 0.00 C ATOM 1407 CG ARG A 90 -1.887 -10.674 -13.491 1.00 0.00 C ATOM 1408 CD ARG A 90 -3.180 -11.064 -14.185 1.00 0.00 C ATOM 1409 NE ARG A 90 -3.363 -12.512 -14.220 1.00 0.00 N ATOM 1410 CZ ARG A 90 -2.599 -13.341 -14.929 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -1.598 -12.868 -15.663 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -2.835 -14.647 -14.905 1.00 0.00 N ATOM 0 H ARG A 90 -0.361 -11.547 -11.657 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.392 -8.680 -11.966 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.773 -10.516 -11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.717 -9.006 -12.435 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.284 -10.062 -14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.308 -11.570 -13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.022 -10.604 -13.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.178 -10.673 -15.203 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.122 -12.913 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.411 -11.865 -15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.016 -13.507 -16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.602 -15.016 -14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.249 -15.281 -15.448 1.00 0.00 H new ATOM 1426 N TYR A 91 -0.262 -9.217 -9.122 1.00 0.00 N ATOM 1427 CA TYR A 91 -0.471 -8.814 -7.739 1.00 0.00 C ATOM 1428 C TYR A 91 0.852 -8.387 -7.106 1.00 0.00 C ATOM 1429 O TYR A 91 1.910 -8.496 -7.725 1.00 0.00 O ATOM 1430 CB TYR A 91 -1.107 -9.967 -6.942 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.119 -10.781 -6.133 1.00 0.00 C ATOM 1432 CD1 TYR A 91 1.091 -11.184 -6.682 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.393 -11.137 -4.818 1.00 0.00 C ATOM 1434 CE1 TYR A 91 2.000 -11.916 -5.947 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.512 -11.871 -4.075 1.00 0.00 C ATOM 1436 CZ TYR A 91 1.707 -12.258 -4.644 1.00 0.00 C ATOM 1437 OH TYR A 91 2.614 -12.989 -3.910 1.00 0.00 O ATOM 0 H TYR A 91 0.658 -9.616 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.151 -7.963 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.860 -9.557 -6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.626 -10.630 -7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.325 -10.920 -7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.328 -10.835 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.937 -12.220 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.285 -12.140 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 91 2.257 -13.146 -3.011 1.00 0.00 H new ATOM 1447 N PHE A 92 0.782 -7.920 -5.867 1.00 0.00 N ATOM 1448 CA PHE A 92 1.971 -7.495 -5.138 1.00 0.00 C ATOM 1449 C PHE A 92 1.693 -7.493 -3.638 1.00 0.00 C ATOM 1450 O PHE A 92 0.562 -7.721 -3.210 1.00 0.00 O ATOM 1451 CB PHE A 92 2.445 -6.107 -5.597 1.00 0.00 C ATOM 1452 CG PHE A 92 1.359 -5.220 -6.139 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.851 -5.419 -7.415 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.859 -4.176 -5.379 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.138 -4.596 -7.918 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.130 -3.348 -5.880 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.628 -3.559 -7.149 1.00 0.00 C ATOM 0 H PHE A 92 -0.088 -7.825 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 92 2.770 -8.205 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.920 -5.604 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.208 -6.234 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.233 -6.227 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.245 -4.006 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.527 -4.763 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.512 -2.537 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.400 -2.914 -7.541 1.00 0.00 H new ATOM 1467 N VAL A 93 2.724 -7.241 -2.842 1.00 0.00 N ATOM 1468 CA VAL A 93 2.573 -7.217 -1.392 1.00 0.00 C ATOM 1469 C VAL A 93 3.273 -5.999 -0.794 1.00 0.00 C ATOM 1470 O VAL A 93 4.293 -5.545 -1.312 1.00 0.00 O ATOM 1471 CB VAL A 93 3.131 -8.499 -0.744 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.342 -9.721 -1.185 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.602 -8.666 -1.069 1.00 0.00 C ATOM 0 H VAL A 93 3.670 -7.051 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 93 1.505 -7.159 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 93 3.027 -8.403 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.757 -10.612 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.299 -9.606 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.404 -9.822 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.977 -9.577 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.731 -8.733 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.158 -7.809 -0.690 1.00 0.00 H new ATOM 1483 N ILE A 94 2.723 -5.471 0.296 1.00 0.00 N ATOM 1484 CA ILE A 94 3.305 -4.304 0.950 1.00 0.00 C ATOM 1485 C ILE A 94 3.320 -4.475 2.461 1.00 0.00 C ATOM 1486 O ILE A 94 2.294 -4.776 3.072 1.00 0.00 O ATOM 1487 CB ILE A 94 2.537 -3.011 0.602 1.00 0.00 C ATOM 1488 CG1 ILE A 94 1.103 -3.077 1.139 1.00 0.00 C ATOM 1489 CG2 ILE A 94 2.543 -2.778 -0.902 1.00 0.00 C ATOM 1490 CD1 ILE A 94 0.858 -2.170 2.328 1.00 0.00 C ATOM 0 H ILE A 94 1.880 -5.831 0.743 1.00 0.00 H new ATOM 0 HA ILE A 94 4.327 -4.218 0.581 1.00 0.00 H new ATOM 0 HB ILE A 94 3.039 -2.169 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.412 -2.809 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.878 -4.105 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.997 -1.862 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.571 -2.685 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.065 -3.620 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.177 -2.269 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.524 -2.452 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.051 -1.136 2.043 1.00 0.00 H new ATOM 1502 N ARG A 95 4.485 -4.280 3.060 1.00 0.00 N ATOM 1503 CA ARG A 95 4.630 -4.411 4.501 1.00 0.00 C ATOM 1504 C ARG A 95 5.068 -3.084 5.119 1.00 0.00 C ATOM 1505 O ARG A 95 5.644 -2.233 4.441 1.00 0.00 O ATOM 1506 CB ARG A 95 5.627 -5.525 4.830 1.00 0.00 C ATOM 1507 CG ARG A 95 5.531 -6.028 6.259 1.00 0.00 C ATOM 1508 CD ARG A 95 6.797 -6.750 6.685 1.00 0.00 C ATOM 1509 NE ARG A 95 6.614 -7.458 7.947 1.00 0.00 N ATOM 1510 CZ ARG A 95 7.213 -8.607 8.254 1.00 0.00 C ATOM 1511 NH1 ARG A 95 8.036 -9.194 7.392 1.00 0.00 N ATOM 1512 NH2 ARG A 95 6.987 -9.172 9.430 1.00 0.00 N ATOM 0 H ARG A 95 5.344 -4.030 2.570 1.00 0.00 H new ATOM 0 HA ARG A 95 3.664 -4.677 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.463 -6.360 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.638 -5.160 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.348 -5.188 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.679 -6.701 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.091 -7.458 5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.610 -6.031 6.785 1.00 0.00 H new ATOM 0 HE ARG A 95 5.987 -7.047 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.215 -8.765 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.489 -10.074 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.356 -8.727 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.444 -10.052 9.669 1.00 0.00 H new ATOM 1526 N ILE A 96 4.785 -2.909 6.406 1.00 0.00 N ATOM 1527 CA ILE A 96 5.140 -1.683 7.112 1.00 0.00 C ATOM 1528 C ILE A 96 5.820 -2.004 8.438 1.00 0.00 C ATOM 1529 O ILE A 96 5.676 -3.105 8.965 1.00 0.00 O ATOM 1530 CB ILE A 96 3.895 -0.809 7.387 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.861 -0.977 6.270 1.00 0.00 C ATOM 1532 CG2 ILE A 96 4.284 0.655 7.530 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.624 -0.126 6.457 1.00 0.00 C ATOM 0 H ILE A 96 4.309 -3.603 6.983 1.00 0.00 H new ATOM 0 HA ILE A 96 5.826 -1.130 6.470 1.00 0.00 H new ATOM 0 HB ILE A 96 3.450 -1.140 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.325 -0.725 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.566 -2.025 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.392 1.251 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.982 0.767 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.757 0.997 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.936 -0.297 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.137 -0.394 7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.907 0.926 6.483 1.00 0.00 H new ATOM 1545 N GLN A 97 6.546 -1.030 8.982 1.00 0.00 N ATOM 1546 CA GLN A 97 7.231 -1.214 10.260 1.00 0.00 C ATOM 1547 C GLN A 97 6.921 -0.063 11.217 1.00 0.00 C ATOM 1548 O GLN A 97 6.690 1.069 10.794 1.00 0.00 O ATOM 1549 CB GLN A 97 8.743 -1.332 10.055 1.00 0.00 C ATOM 1550 CG GLN A 97 9.201 -2.702 9.573 1.00 0.00 C ATOM 1551 CD GLN A 97 10.684 -2.740 9.249 1.00 0.00 C ATOM 1552 OE1 GLN A 97 11.501 -2.148 9.952 1.00 0.00 O ATOM 1553 NE2 GLN A 97 11.042 -3.447 8.182 1.00 0.00 N ATOM 0 H GLN A 97 6.675 -0.110 8.561 1.00 0.00 H new ATOM 0 HA GLN A 97 6.865 -2.141 10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.060 -0.580 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.245 -1.103 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.981 -3.445 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.632 -2.980 8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.333 -3.924 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.026 -3.513 7.920 1.00 0.00 H new ATOM 1562 N ASP A 98 6.914 -0.368 12.512 1.00 0.00 N ATOM 1563 CA ASP A 98 6.627 0.630 13.545 1.00 0.00 C ATOM 1564 C ASP A 98 7.793 0.767 14.523 1.00 0.00 C ATOM 1565 O ASP A 98 7.888 0.012 15.489 1.00 0.00 O ATOM 1566 CB ASP A 98 5.380 0.214 14.314 1.00 0.00 C ATOM 1567 CG ASP A 98 4.969 1.205 15.387 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.859 1.712 16.099 1.00 0.00 O ATOM 1569 OD2 ASP A 98 3.755 1.458 15.525 1.00 0.00 O ATOM 0 H ASP A 98 7.104 -1.302 12.875 1.00 0.00 H new ATOM 0 HA ASP A 98 6.471 1.592 13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.556 0.089 13.612 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.556 -0.757 14.776 1.00 0.00 H new ATOM 1574 N GLY A 99 8.672 1.736 14.276 1.00 0.00 N ATOM 1575 CA GLY A 99 9.814 1.958 15.153 1.00 0.00 C ATOM 1576 C GLY A 99 10.672 0.716 15.357 1.00 0.00 C ATOM 1577 O GLY A 99 11.506 0.682 16.263 1.00 0.00 O ATOM 0 H GLY A 99 8.615 2.374 13.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.433 2.753 14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.456 2.306 16.122 1.00 0.00 H new ATOM 1581 N THR A 100 10.447 -0.318 14.538 1.00 0.00 N ATOM 1582 CA THR A 100 11.182 -1.578 14.644 1.00 0.00 C ATOM 1583 C THR A 100 10.600 -2.427 15.772 1.00 0.00 C ATOM 1584 O THR A 100 11.311 -2.851 16.681 1.00 0.00 O ATOM 1585 CB THR A 100 12.685 -1.333 14.859 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.213 -0.518 13.827 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.500 -2.608 14.891 1.00 0.00 C ATOM 0 H THR A 100 9.755 -0.303 13.789 1.00 0.00 H new ATOM 0 HA THR A 100 11.073 -2.120 13.705 1.00 0.00 H new ATOM 0 HB THR A 100 12.761 -0.844 15.830 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.170 -0.372 13.982 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.551 -2.364 15.046 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.151 -3.243 15.706 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.386 -3.137 13.945 1.00 0.00 H new ATOM 1595 N GLY A 101 9.287 -2.668 15.698 1.00 0.00 N ATOM 1596 CA GLY A 101 8.610 -3.460 16.713 1.00 0.00 C ATOM 1597 C GLY A 101 7.180 -3.823 16.336 1.00 0.00 C ATOM 1598 O GLY A 101 6.665 -4.849 16.778 1.00 0.00 O ATOM 0 H GLY A 101 8.682 -2.327 14.951 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.176 -4.375 16.888 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.602 -2.906 17.651 1.00 0.00 H new ATOM 1602 N ARG A 102 6.536 -2.988 15.522 1.00 0.00 N ATOM 1603 CA ARG A 102 5.160 -3.248 15.096 1.00 0.00 C ATOM 1604 C ARG A 102 5.038 -3.153 13.574 1.00 0.00 C ATOM 1605 O ARG A 102 4.686 -2.105 13.031 1.00 0.00 O ATOM 1606 CB ARG A 102 4.195 -2.270 15.777 1.00 0.00 C ATOM 1607 CG ARG A 102 2.786 -2.803 15.941 1.00 0.00 C ATOM 1608 CD ARG A 102 1.951 -2.531 14.702 1.00 0.00 C ATOM 1609 NE ARG A 102 1.229 -3.721 14.264 1.00 0.00 N ATOM 1610 CZ ARG A 102 0.532 -3.788 13.134 1.00 0.00 C ATOM 1611 NH1 ARG A 102 0.485 -2.744 12.314 1.00 0.00 N ATOM 1612 NH2 ARG A 102 -0.113 -4.904 12.820 1.00 0.00 N ATOM 0 H ARG A 102 6.941 -2.131 15.146 1.00 0.00 H new ATOM 0 HA ARG A 102 4.893 -4.261 15.396 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.590 -2.011 16.759 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.158 -1.349 15.195 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.820 -3.876 16.132 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.317 -2.339 16.809 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.241 -1.731 14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.598 -2.181 13.897 1.00 0.00 H new ATOM 0 HE ARG A 102 1.261 -4.549 14.859 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.985 -1.887 12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.051 -2.799 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.074 -5.709 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.648 -4.957 11.953 1.00 0.00 H new ATOM 1626 N SER A 103 5.361 -4.254 12.896 1.00 0.00 N ATOM 1627 CA SER A 103 5.314 -4.310 11.435 1.00 0.00 C ATOM 1628 C SER A 103 4.211 -5.253 10.947 1.00 0.00 C ATOM 1629 O SER A 103 4.161 -6.418 11.341 1.00 0.00 O ATOM 1630 CB SER A 103 6.668 -4.774 10.888 1.00 0.00 C ATOM 1631 OG SER A 103 7.524 -5.208 11.933 1.00 0.00 O ATOM 0 H SER A 103 5.660 -5.123 13.338 1.00 0.00 H new ATOM 0 HA SER A 103 5.092 -3.308 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.517 -5.587 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.141 -3.958 10.342 1.00 0.00 H new ATOM 0 HG SER A 103 8.380 -5.500 11.555 1.00 0.00 H new ATOM 1637 N ALA A 104 3.331 -4.746 10.084 1.00 0.00 N ATOM 1638 CA ALA A 104 2.238 -5.555 9.548 1.00 0.00 C ATOM 1639 C ALA A 104 2.389 -5.791 8.047 1.00 0.00 C ATOM 1640 O ALA A 104 2.764 -4.888 7.299 1.00 0.00 O ATOM 1641 CB ALA A 104 0.904 -4.892 9.840 1.00 0.00 C ATOM 0 H ALA A 104 3.353 -3.785 9.743 1.00 0.00 H new ATOM 0 HA ALA A 104 2.275 -6.526 10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.097 -5.504 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.777 -4.790 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.879 -3.906 9.376 1.00 0.00 H new ATOM 1647 N PHE A 105 2.082 -7.012 7.617 1.00 0.00 N ATOM 1648 CA PHE A 105 2.172 -7.375 6.206 1.00 0.00 C ATOM 1649 C PHE A 105 0.786 -7.672 5.630 1.00 0.00 C ATOM 1650 O PHE A 105 0.014 -8.441 6.205 1.00 0.00 O ATOM 1651 CB PHE A 105 3.087 -8.592 6.021 1.00 0.00 C ATOM 1652 CG PHE A 105 3.935 -8.518 4.781 1.00 0.00 C ATOM 1653 CD1 PHE A 105 3.406 -8.034 3.597 1.00 0.00 C ATOM 1654 CD2 PHE A 105 5.261 -8.923 4.800 1.00 0.00 C ATOM 1655 CE1 PHE A 105 4.178 -7.952 2.458 1.00 0.00 C ATOM 1656 CE2 PHE A 105 6.039 -8.846 3.660 1.00 0.00 C ATOM 1657 CZ PHE A 105 5.496 -8.359 2.488 1.00 0.00 C ATOM 0 H PHE A 105 1.768 -7.767 8.226 1.00 0.00 H new ATOM 0 HA PHE A 105 2.597 -6.528 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.736 -8.685 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.476 -9.494 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.374 -7.716 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.691 -9.303 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.751 -7.569 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.070 -9.166 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.102 -8.297 1.596 1.00 0.00 H new ATOM 1667 N ILE A 106 0.481 -7.055 4.489 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.804 -7.243 3.823 1.00 0.00 C ATOM 1669 C ILE A 106 -0.598 -7.352 2.311 1.00 0.00 C ATOM 1670 O ILE A 106 0.472 -7.021 1.803 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.763 -6.067 4.119 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.652 -5.626 5.587 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -3.202 -6.437 3.776 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.326 -6.568 6.565 1.00 0.00 C ATOM 0 H ILE A 106 1.112 -6.417 4.005 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.248 -8.162 4.206 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.469 -5.228 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.598 -5.538 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.091 -4.634 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.856 -5.593 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.271 -6.686 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.509 -7.297 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.204 -6.188 7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.388 -6.638 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.872 -7.556 6.490 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.621 -7.809 1.594 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.512 -7.936 0.151 1.00 0.00 C ATOM 1688 C GLY A 107 -2.292 -6.860 -0.580 1.00 0.00 C ATOM 1689 O GLY A 107 -3.409 -6.525 -0.186 1.00 0.00 O ATOM 0 H GLY A 107 -2.520 -8.093 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.463 -7.881 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.876 -8.917 -0.154 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.709 -6.314 -1.645 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.370 -5.268 -2.423 1.00 0.00 C ATOM 1695 C ILE A 108 -2.159 -5.483 -3.923 1.00 0.00 C ATOM 1696 O ILE A 108 -1.064 -5.843 -4.356 1.00 0.00 O ATOM 1697 CB ILE A 108 -1.853 -3.867 -2.029 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -0.338 -3.780 -2.208 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -2.233 -3.541 -0.592 1.00 0.00 C ATOM 1700 CD1 ILE A 108 0.129 -2.429 -2.702 1.00 0.00 C ATOM 0 H ILE A 108 -0.785 -6.577 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.435 -5.327 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.321 -3.135 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.147 -3.999 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.018 -4.547 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.860 -2.550 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.318 -3.559 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.793 -4.281 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.214 -2.435 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.328 -2.217 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.162 -1.660 -1.987 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.210 -5.265 -4.718 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.092 -5.451 -6.158 1.00 0.00 C ATOM 1714 C GLY A 109 -4.355 -5.106 -6.929 1.00 0.00 C ATOM 1715 O GLY A 109 -5.172 -4.304 -6.480 1.00 0.00 O ATOM 0 H GLY A 109 -4.130 -4.966 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.273 -4.835 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.827 -6.489 -6.360 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.506 -5.722 -8.099 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.675 -5.496 -8.945 1.00 0.00 C ATOM 1721 C PHE A 110 -5.813 -6.595 -9.992 1.00 0.00 C ATOM 1722 O PHE A 110 -4.863 -7.324 -10.280 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.610 -4.127 -9.629 1.00 0.00 C ATOM 1724 CG PHE A 110 -6.858 -3.775 -10.404 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -8.085 -3.671 -9.766 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -6.801 -3.539 -11.772 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -9.227 -3.343 -10.472 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -7.939 -3.210 -12.482 1.00 0.00 C ATOM 1729 CZ PHE A 110 -9.154 -3.112 -11.833 1.00 0.00 C ATOM 0 H PHE A 110 -3.831 -6.383 -8.484 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.552 -5.517 -8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.434 -3.361 -8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -4.756 -4.109 -10.306 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.149 -3.849 -8.703 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.855 -3.614 -12.287 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -10.175 -3.267 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -7.879 -3.029 -13.545 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.045 -2.856 -12.387 1.00 0.00 H new ATOM 1739 N THR A 111 -7.004 -6.692 -10.566 1.00 0.00 N ATOM 1740 CA THR A 111 -7.292 -7.683 -11.592 1.00 0.00 C ATOM 1741 C THR A 111 -6.402 -7.476 -12.814 1.00 0.00 C ATOM 1742 O THR A 111 -5.439 -8.213 -13.026 1.00 0.00 O ATOM 1743 CB THR A 111 -8.764 -7.590 -11.992 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.063 -6.294 -12.478 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.709 -7.881 -10.846 1.00 0.00 C ATOM 0 H THR A 111 -7.794 -6.089 -10.335 1.00 0.00 H new ATOM 0 HA THR A 111 -7.086 -8.674 -11.188 1.00 0.00 H new ATOM 0 HB THR A 111 -8.910 -8.346 -12.764 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.112 -5.666 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.739 -7.799 -11.194 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.531 -8.890 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.539 -7.164 -10.043 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.730 -6.467 -13.616 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.962 -6.163 -14.817 1.00 0.00 C ATOM 1755 C ASP A 112 -4.770 -5.265 -14.492 1.00 0.00 C ATOM 1756 O ASP A 112 -4.479 -4.998 -13.327 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.850 -5.482 -15.862 1.00 0.00 C ATOM 1758 CG ASP A 112 -8.147 -6.231 -16.105 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -8.374 -7.262 -15.439 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -8.937 -5.783 -16.963 1.00 0.00 O ATOM 0 H ASP A 112 -7.523 -5.846 -13.455 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.589 -7.104 -15.221 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.077 -4.467 -15.535 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.302 -5.399 -16.800 1.00 0.00 H new ATOM 1765 N ARG A 113 -4.087 -4.804 -15.536 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.927 -3.933 -15.372 1.00 0.00 C ATOM 1767 C ARG A 113 -3.346 -2.470 -15.217 1.00 0.00 C ATOM 1768 O ARG A 113 -2.496 -1.582 -15.135 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.985 -4.082 -16.573 1.00 0.00 C ATOM 1770 CG ARG A 113 -0.727 -4.883 -16.270 1.00 0.00 C ATOM 1771 CD ARG A 113 0.505 -4.251 -16.902 1.00 0.00 C ATOM 1772 NE ARG A 113 1.671 -5.132 -16.833 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.827 -4.807 -16.251 1.00 0.00 C ATOM 1774 NH1 ARG A 113 2.982 -3.623 -15.668 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.831 -5.672 -16.249 1.00 0.00 N ATOM 0 H ARG A 113 -4.317 -5.019 -16.506 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.407 -4.234 -14.463 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -2.524 -4.564 -17.388 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.698 -3.091 -16.923 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.589 -4.951 -15.191 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.845 -5.901 -16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.294 -4.010 -17.944 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.730 -3.312 -16.397 1.00 0.00 H new ATOM 0 HE ARG A 113 1.595 -6.056 -17.258 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.213 -2.953 -15.663 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.870 -3.385 -15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.719 -6.584 -16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.716 -5.426 -15.805 1.00 0.00 H new ATOM 1789 N GLY A 114 -4.653 -2.219 -15.175 1.00 0.00 N ATOM 1790 CA GLY A 114 -5.140 -0.859 -15.029 1.00 0.00 C ATOM 1791 C GLY A 114 -4.667 -0.211 -13.743 1.00 0.00 C ATOM 1792 O GLY A 114 -3.822 0.684 -13.764 1.00 0.00 O ATOM 0 H GLY A 114 -5.380 -2.931 -15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -4.805 -0.263 -15.878 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.230 -0.862 -15.052 1.00 0.00 H new ATOM 1796 N ASP A 115 -5.210 -0.669 -12.618 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.833 -0.132 -11.313 1.00 0.00 C ATOM 1798 C ASP A 115 -3.325 -0.091 -11.157 1.00 0.00 C ATOM 1799 O ASP A 115 -2.773 0.893 -10.683 1.00 0.00 O ATOM 1800 CB ASP A 115 -5.411 -0.987 -10.196 1.00 0.00 C ATOM 1801 CG ASP A 115 -6.762 -0.502 -9.722 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -7.627 -0.202 -10.572 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -6.951 -0.419 -8.495 1.00 0.00 O ATOM 0 H ASP A 115 -5.911 -1.409 -12.583 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.232 0.880 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.502 -2.016 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.718 -0.994 -9.355 1.00 0.00 H new ATOM 1808 N ALA A 116 -2.661 -1.175 -11.551 1.00 0.00 N ATOM 1809 CA ALA A 116 -1.209 -1.262 -11.446 1.00 0.00 C ATOM 1810 C ALA A 116 -0.556 0.062 -11.832 1.00 0.00 C ATOM 1811 O ALA A 116 0.121 0.692 -11.024 1.00 0.00 O ATOM 1812 CB ALA A 116 -0.682 -2.392 -12.315 1.00 0.00 C ATOM 0 H ALA A 116 -3.106 -2.004 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.953 -1.475 -10.408 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.403 -2.444 -12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.119 -3.336 -11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.952 -2.208 -13.355 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.777 0.488 -13.067 1.00 0.00 N ATOM 1819 CA PHE A 117 -0.220 1.744 -13.548 1.00 0.00 C ATOM 1820 C PHE A 117 -0.605 2.904 -12.623 1.00 0.00 C ATOM 1821 O PHE A 117 0.260 3.572 -12.057 1.00 0.00 O ATOM 1822 CB PHE A 117 -0.710 2.017 -14.972 1.00 0.00 C ATOM 1823 CG PHE A 117 -0.270 3.344 -15.514 1.00 0.00 C ATOM 1824 CD1 PHE A 117 -0.976 4.495 -15.212 1.00 0.00 C ATOM 1825 CD2 PHE A 117 0.850 3.441 -16.323 1.00 0.00 C ATOM 1826 CE1 PHE A 117 -0.575 5.721 -15.706 1.00 0.00 C ATOM 1827 CE2 PHE A 117 1.256 4.663 -16.823 1.00 0.00 C ATOM 1828 CZ PHE A 117 0.544 5.805 -16.512 1.00 0.00 C ATOM 0 H PHE A 117 -1.337 -0.017 -13.754 1.00 0.00 H new ATOM 0 HA PHE A 117 0.867 1.662 -13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.348 1.227 -15.630 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.799 1.970 -14.988 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.851 4.434 -14.582 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.412 2.551 -16.566 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.135 6.612 -15.463 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.129 4.725 -17.456 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.862 6.762 -16.898 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.909 3.135 -12.478 1.00 0.00 N ATOM 1839 CA ASP A 118 -2.413 4.214 -11.625 1.00 0.00 C ATOM 1840 C ASP A 118 -1.855 4.112 -10.203 1.00 0.00 C ATOM 1841 O ASP A 118 -1.352 5.091 -9.654 1.00 0.00 O ATOM 1842 CB ASP A 118 -3.944 4.193 -11.601 1.00 0.00 C ATOM 1843 CG ASP A 118 -4.548 5.345 -12.382 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -3.933 5.770 -13.382 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -5.635 5.821 -11.993 1.00 0.00 O ATOM 0 H ASP A 118 -2.637 2.590 -12.940 1.00 0.00 H new ATOM 0 HA ASP A 118 -2.075 5.161 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.299 3.250 -12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.290 4.236 -10.568 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.963 2.932 -9.603 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.470 2.723 -8.245 1.00 0.00 C ATOM 1852 C PHE A 119 0.037 2.966 -8.185 1.00 0.00 C ATOM 1853 O PHE A 119 0.533 3.644 -7.286 1.00 0.00 O ATOM 1854 CB PHE A 119 -1.818 1.306 -7.755 1.00 0.00 C ATOM 1855 CG PHE A 119 -0.632 0.503 -7.293 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -0.216 0.552 -5.972 1.00 0.00 C ATOM 1857 CD2 PHE A 119 0.068 -0.291 -8.181 1.00 0.00 C ATOM 1858 CE1 PHE A 119 0.878 -0.180 -5.549 1.00 0.00 C ATOM 1859 CE2 PHE A 119 1.163 -1.023 -7.768 1.00 0.00 C ATOM 1860 CZ PHE A 119 1.568 -0.967 -6.449 1.00 0.00 C ATOM 0 H PHE A 119 -2.385 2.109 -10.032 1.00 0.00 H new ATOM 0 HA PHE A 119 -1.959 3.438 -7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -2.532 1.383 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.315 0.767 -8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.752 1.168 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.246 -0.340 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 119 1.192 -0.136 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 119 1.701 -1.638 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 119 2.424 -1.539 -6.122 1.00 0.00 H new ATOM 1870 N ASN A 120 0.755 2.403 -9.151 1.00 0.00 N ATOM 1871 CA ASN A 120 2.204 2.548 -9.216 1.00 0.00 C ATOM 1872 C ASN A 120 2.609 4.016 -9.311 1.00 0.00 C ATOM 1873 O ASN A 120 3.335 4.523 -8.455 1.00 0.00 O ATOM 1874 CB ASN A 120 2.760 1.775 -10.414 1.00 0.00 C ATOM 1875 CG ASN A 120 4.226 1.423 -10.249 1.00 0.00 C ATOM 1876 OD1 ASN A 120 4.675 1.076 -9.158 1.00 0.00 O ATOM 1877 ND2 ASN A 120 4.979 1.507 -11.340 1.00 0.00 N ATOM 0 H ASN A 120 0.355 1.840 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 120 2.623 2.138 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.183 0.860 -10.551 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.632 2.371 -11.318 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.972 1.279 -11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 120 4.564 1.799 -12.225 1.00 0.00 H new ATOM 1884 N VAL A 121 2.143 4.694 -10.358 1.00 0.00 N ATOM 1885 CA VAL A 121 2.468 6.106 -10.561 1.00 0.00 C ATOM 1886 C VAL A 121 2.194 6.928 -9.304 1.00 0.00 C ATOM 1887 O VAL A 121 2.954 7.837 -8.970 1.00 0.00 O ATOM 1888 CB VAL A 121 1.681 6.715 -11.743 1.00 0.00 C ATOM 1889 CG1 VAL A 121 2.013 5.997 -13.043 1.00 0.00 C ATOM 1890 CG2 VAL A 121 0.185 6.676 -11.470 1.00 0.00 C ATOM 0 H VAL A 121 1.542 4.291 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 121 3.533 6.144 -10.791 1.00 0.00 H new ATOM 0 HB VAL A 121 1.980 7.758 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.447 6.444 -13.860 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.080 6.089 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.751 4.943 -12.954 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.350 7.110 -12.315 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.133 5.643 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.035 7.248 -10.569 1.00 0.00 H new ATOM 1900 N SER A 122 1.106 6.602 -8.614 1.00 0.00 N ATOM 1901 CA SER A 122 0.731 7.310 -7.392 1.00 0.00 C ATOM 1902 C SER A 122 1.717 7.011 -6.266 1.00 0.00 C ATOM 1903 O SER A 122 2.253 7.923 -5.636 1.00 0.00 O ATOM 1904 CB SER A 122 -0.688 6.919 -6.970 1.00 0.00 C ATOM 1905 OG SER A 122 -1.603 7.970 -7.222 1.00 0.00 O ATOM 0 H SER A 122 0.467 5.852 -8.879 1.00 0.00 H new ATOM 0 HA SER A 122 0.759 8.381 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.998 6.025 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.699 6.669 -5.909 1.00 0.00 H new ATOM 0 HG SER A 122 -2.023 8.247 -6.381 1.00 0.00 H new ATOM 1911 N LEU A 123 1.954 5.725 -6.022 1.00 0.00 N ATOM 1912 CA LEU A 123 2.878 5.297 -4.978 1.00 0.00 C ATOM 1913 C LEU A 123 4.231 5.989 -5.138 1.00 0.00 C ATOM 1914 O LEU A 123 4.780 6.523 -4.178 1.00 0.00 O ATOM 1915 CB LEU A 123 3.048 3.770 -5.026 1.00 0.00 C ATOM 1916 CG LEU A 123 2.771 3.012 -3.715 1.00 0.00 C ATOM 1917 CD1 LEU A 123 3.939 3.151 -2.748 1.00 0.00 C ATOM 1918 CD2 LEU A 123 1.473 3.481 -3.063 1.00 0.00 C ATOM 0 H LEU A 123 1.517 4.960 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 123 2.466 5.578 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.385 3.376 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.068 3.549 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 123 2.657 1.957 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.718 2.607 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.840 2.742 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 123 4.096 4.204 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.308 2.925 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.543 4.545 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.640 3.308 -3.745 1.00 0.00 H new ATOM 1930 N GLN A 124 4.758 5.980 -6.362 1.00 0.00 N ATOM 1931 CA GLN A 124 6.048 6.610 -6.650 1.00 0.00 C ATOM 1932 C GLN A 124 5.981 8.126 -6.484 1.00 0.00 C ATOM 1933 O GLN A 124 6.865 8.731 -5.877 1.00 0.00 O ATOM 1934 CB GLN A 124 6.515 6.266 -8.070 1.00 0.00 C ATOM 1935 CG GLN A 124 5.637 6.851 -9.169 1.00 0.00 C ATOM 1936 CD GLN A 124 6.223 6.650 -10.553 1.00 0.00 C ATOM 1937 OE1 GLN A 124 5.797 5.770 -11.301 1.00 0.00 O ATOM 1938 NE2 GLN A 124 7.207 7.472 -10.901 1.00 0.00 N ATOM 0 H GLN A 124 4.313 5.544 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 124 6.767 6.218 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.535 6.626 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.543 5.182 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.651 6.389 -9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.498 7.917 -8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.529 8.187 -10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.641 7.388 -11.820 1.00 0.00 H new ATOM 1947 N ASP A 125 4.940 8.735 -7.040 1.00 0.00 N ATOM 1948 CA ASP A 125 4.771 10.183 -6.962 1.00 0.00 C ATOM 1949 C ASP A 125 4.838 10.662 -5.519 1.00 0.00 C ATOM 1950 O ASP A 125 5.549 11.616 -5.200 1.00 0.00 O ATOM 1951 CB ASP A 125 3.435 10.599 -7.577 1.00 0.00 C ATOM 1952 CG ASP A 125 3.544 10.897 -9.058 1.00 0.00 C ATOM 1953 OD1 ASP A 125 3.981 10.004 -9.814 1.00 0.00 O ATOM 1954 OD2 ASP A 125 3.191 12.025 -9.464 1.00 0.00 O ATOM 0 H ASP A 125 4.201 8.250 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 125 5.584 10.644 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.705 9.804 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.060 11.482 -7.059 1.00 0.00 H new ATOM 1959 N HIS A 126 4.088 9.994 -4.655 1.00 0.00 N ATOM 1960 CA HIS A 126 4.052 10.345 -3.246 1.00 0.00 C ATOM 1961 C HIS A 126 5.326 9.896 -2.533 1.00 0.00 C ATOM 1962 O HIS A 126 5.905 10.651 -1.751 1.00 0.00 O ATOM 1963 CB HIS A 126 2.836 9.712 -2.572 1.00 0.00 C ATOM 1964 CG HIS A 126 1.523 10.092 -3.186 1.00 0.00 C ATOM 1965 ND1 HIS A 126 0.713 9.191 -3.844 1.00 0.00 N ATOM 1966 CD2 HIS A 126 0.869 11.278 -3.225 1.00 0.00 C ATOM 1967 CE1 HIS A 126 -0.380 9.804 -4.263 1.00 0.00 C ATOM 1968 NE2 HIS A 126 -0.310 11.070 -3.900 1.00 0.00 N ATOM 0 H HIS A 126 3.495 9.204 -4.908 1.00 0.00 H new ATOM 0 HA HIS A 126 3.980 11.430 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 126 2.940 8.627 -2.607 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.828 9.998 -1.520 1.00 0.00 H new ATOM 0 HD1 HIS A 126 0.925 8.203 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.210 12.212 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.192 9.347 -4.809 1.00 0.00 H new ATOM 1976 N PHE A 127 5.755 8.663 -2.800 1.00 0.00 N ATOM 1977 CA PHE A 127 6.959 8.122 -2.174 1.00 0.00 C ATOM 1978 C PHE A 127 8.167 9.005 -2.480 1.00 0.00 C ATOM 1979 O PHE A 127 8.594 9.795 -1.639 1.00 0.00 O ATOM 1980 CB PHE A 127 7.211 6.683 -2.646 1.00 0.00 C ATOM 1981 CG PHE A 127 7.820 5.793 -1.602 1.00 0.00 C ATOM 1982 CD1 PHE A 127 9.196 5.697 -1.475 1.00 0.00 C ATOM 1983 CD2 PHE A 127 7.017 5.048 -0.756 1.00 0.00 C ATOM 1984 CE1 PHE A 127 9.760 4.873 -0.521 1.00 0.00 C ATOM 1985 CE2 PHE A 127 7.575 4.220 0.200 1.00 0.00 C ATOM 1986 CZ PHE A 127 8.948 4.133 0.318 1.00 0.00 C ATOM 0 H PHE A 127 5.289 8.023 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 127 6.808 8.109 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.266 6.248 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.868 6.707 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.834 6.273 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 127 5.943 5.114 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 127 10.834 4.807 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.938 3.642 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.387 3.488 1.065 1.00 0.00 H new ATOM 1996 N LYS A 128 8.714 8.874 -3.686 1.00 0.00 N ATOM 1997 CA LYS A 128 9.867 9.671 -4.086 1.00 0.00 C ATOM 1998 C LYS A 128 9.427 10.974 -4.744 1.00 0.00 C ATOM 1999 O LYS A 128 8.262 11.138 -5.106 1.00 0.00 O ATOM 2000 CB LYS A 128 10.757 8.877 -5.044 1.00 0.00 C ATOM 2001 CG LYS A 128 11.202 7.534 -4.487 1.00 0.00 C ATOM 2002 CD LYS A 128 12.708 7.484 -4.287 1.00 0.00 C ATOM 2003 CE LYS A 128 13.194 6.061 -4.072 1.00 0.00 C ATOM 2004 NZ LYS A 128 13.703 5.451 -5.332 1.00 0.00 N ATOM 0 H LYS A 128 8.378 8.226 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 128 10.437 9.913 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 128 10.218 8.714 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.638 9.471 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 128 10.702 7.350 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.898 6.738 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 128 13.206 7.912 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.983 8.097 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.985 6.057 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.378 5.454 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.025 4.480 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.942 5.431 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.498 6.015 -5.694 1.00 0.00 H new ATOM 2018 N TRP A 129 10.367 11.899 -4.895 1.00 0.00 N ATOM 2019 CA TRP A 129 10.075 13.186 -5.511 1.00 0.00 C ATOM 2020 C TRP A 129 10.302 13.133 -7.018 1.00 0.00 C ATOM 2021 O TRP A 129 11.344 12.672 -7.482 1.00 0.00 O ATOM 2022 CB TRP A 129 10.944 14.280 -4.889 1.00 0.00 C ATOM 2023 CG TRP A 129 10.720 14.450 -3.418 1.00 0.00 C ATOM 2024 CD1 TRP A 129 9.601 14.109 -2.713 1.00 0.00 C ATOM 2025 CD2 TRP A 129 11.638 15.005 -2.470 1.00 0.00 C ATOM 2026 NE1 TRP A 129 9.768 14.417 -1.385 1.00 0.00 N ATOM 2027 CE2 TRP A 129 11.011 14.968 -1.210 1.00 0.00 C ATOM 2028 CE3 TRP A 129 12.931 15.528 -2.565 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 11.633 15.436 -0.056 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 13.546 15.992 -1.417 1.00 0.00 C ATOM 2031 CH2 TRP A 129 12.898 15.942 -0.177 1.00 0.00 C ATOM 0 H TRP A 129 11.336 11.782 -4.600 1.00 0.00 H new ATOM 0 HA TRP A 129 9.026 13.418 -5.330 1.00 0.00 H new ATOM 0 HB2 TRP A 129 11.994 14.044 -5.065 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.741 15.225 -5.392 1.00 0.00 H new ATOM 0 HD1 TRP A 129 8.714 13.662 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 129 9.079 14.261 -0.649 1.00 0.00 H new ATOM 0 HE3 TRP A 129 13.440 15.569 -3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 11.134 15.401 0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 14.544 16.400 -1.478 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.407 16.310 0.701 1.00 0.00 H new ATOM 2042 N VAL A 130 9.319 13.607 -7.778 1.00 0.00 N ATOM 2043 CA VAL A 130 9.411 13.614 -9.233 1.00 0.00 C ATOM 2044 C VAL A 130 8.613 14.768 -9.831 1.00 0.00 C ATOM 2045 O VAL A 130 9.145 15.576 -10.592 1.00 0.00 O ATOM 2046 CB VAL A 130 8.904 12.293 -9.841 1.00 0.00 C ATOM 2047 CG1 VAL A 130 9.259 12.216 -11.319 1.00 0.00 C ATOM 2048 CG2 VAL A 130 9.472 11.099 -9.087 1.00 0.00 C ATOM 0 H VAL A 130 8.449 13.991 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 130 10.466 13.736 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 130 7.818 12.267 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 130 8.893 11.276 -11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 130 8.797 13.049 -11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 130 10.341 12.267 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 130 9.101 10.177 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 130 10.560 11.117 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 130 9.162 11.147 -8.043 1.00 0.00 H new ATOM 2058 N LYS A 131 7.332 14.837 -9.483 1.00 0.00 N ATOM 2059 CA LYS A 131 6.456 15.889 -9.988 1.00 0.00 C ATOM 2060 C LYS A 131 6.508 17.122 -9.087 1.00 0.00 C ATOM 2061 O LYS A 131 5.475 17.621 -8.637 1.00 0.00 O ATOM 2062 CB LYS A 131 5.018 15.371 -10.102 1.00 0.00 C ATOM 2063 CG LYS A 131 4.618 14.996 -11.519 1.00 0.00 C ATOM 2064 CD LYS A 131 3.107 14.953 -11.677 1.00 0.00 C ATOM 2065 CE LYS A 131 2.678 15.408 -13.062 1.00 0.00 C ATOM 2066 NZ LYS A 131 2.437 16.877 -13.117 1.00 0.00 N ATOM 0 H LYS A 131 6.877 14.176 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 131 6.806 16.179 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.902 14.499 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.335 16.135 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.038 15.717 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.039 14.023 -11.772 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.750 13.938 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.643 15.590 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.447 15.139 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.769 14.880 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.146 17.145 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.685 17.131 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.311 17.382 -12.866 1.00 0.00 H new ATOM 2080 N GLN A 132 7.716 17.613 -8.830 1.00 0.00 N ATOM 2081 CA GLN A 132 7.898 18.788 -7.988 1.00 0.00 C ATOM 2082 C GLN A 132 7.700 20.069 -8.795 1.00 0.00 C ATOM 2083 O GLN A 132 8.665 20.689 -9.242 1.00 0.00 O ATOM 2084 CB GLN A 132 9.292 18.776 -7.357 1.00 0.00 C ATOM 2085 CG GLN A 132 9.446 17.750 -6.245 1.00 0.00 C ATOM 2086 CD GLN A 132 9.645 18.387 -4.883 1.00 0.00 C ATOM 2087 OE1 GLN A 132 9.085 19.443 -4.591 1.00 0.00 O ATOM 2088 NE2 GLN A 132 10.449 17.746 -4.041 1.00 0.00 N ATOM 0 H GLN A 132 8.582 17.215 -9.193 1.00 0.00 H new ATOM 0 HA GLN A 132 7.149 18.760 -7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 132 10.031 18.574 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 132 9.511 19.767 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 132 8.561 17.114 -6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 132 10.296 17.105 -6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 132 10.893 16.873 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 132 10.622 18.127 -3.111 1.00 0.00 H new ATOM 2097 N GLU A 133 6.442 20.458 -8.977 1.00 0.00 N ATOM 2098 CA GLU A 133 6.114 21.663 -9.731 1.00 0.00 C ATOM 2099 C GLU A 133 4.871 22.338 -9.160 1.00 0.00 C ATOM 2100 O GLU A 133 4.197 23.073 -9.913 1.00 0.00 O ATOM 2101 CB GLU A 133 5.890 21.319 -11.207 1.00 0.00 C ATOM 2102 CG GLU A 133 6.822 22.059 -12.153 1.00 0.00 C ATOM 2103 CD GLU A 133 6.440 21.876 -13.609 1.00 0.00 C ATOM 2104 OE1 GLU A 133 5.286 22.193 -13.965 1.00 0.00 O ATOM 2105 OE2 GLU A 133 7.295 21.413 -14.392 1.00 0.00 O ATOM 2106 OXT GLU A 133 4.581 22.126 -7.963 1.00 0.00 O ATOM 0 H GLU A 133 5.632 19.956 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 133 6.952 22.355 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 133 6.023 20.246 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.858 21.550 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 133 6.812 23.121 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 133 7.842 21.706 -12.002 1.00 0.00 H new TER 2113 GLU A 133