USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 790 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 33 MET CE :methyl 158:sc= -0.0148 (180deg=-0.825) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.0793) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00599) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.585 K(o=0.59,f=-0.56) USER MOD Single : A 7 GLN : amide:sc= -4.15! C(o=-4.1!,f=-3.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 107:sc= -0.402! USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 0.149 (180deg=0.0426) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0566 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -127:sc= 1.11 USER MOD Single : A 25 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-4.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 138:sc= 0.853 USER MOD Single : A 43 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.28) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= -0.794 (180deg=-2) USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00758 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot -1:sc= 0.965 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -64:sc= 0.489 USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= -0.125 (180deg=-1.14) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -4.08 K(o=-4.1,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -9.42! C(o=-9.4!,f=-5.8!) USER MOD Single : A 92 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.296 16.997 9.736 1.00 0.00 N ATOM 2 CA MET A 1 12.966 17.233 9.200 1.00 0.00 C ATOM 3 C MET A 1 12.247 15.913 8.913 1.00 0.00 C ATOM 4 O MET A 1 12.550 15.239 7.930 1.00 0.00 O ATOM 5 CB MET A 1 13.072 18.048 7.910 1.00 0.00 C ATOM 6 CG MET A 1 13.459 19.497 8.207 1.00 0.00 C ATOM 7 SD MET A 1 15.119 19.816 7.633 1.00 0.00 S ATOM 8 CE MET A 1 15.848 20.457 9.132 1.00 0.00 C ATOM 0 H1 MET A 1 14.743 17.907 9.970 1.00 0.00 H new ATOM 0 H2 MET A 1 14.226 16.415 10.595 1.00 0.00 H new ATOM 0 H3 MET A 1 14.873 16.500 9.027 1.00 0.00 H new ATOM 0 HA MET A 1 12.389 17.785 9.942 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.814 17.597 7.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.119 18.024 7.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.760 20.176 7.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.393 19.687 9.278 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.773 20.982 8.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.152 21.148 9.609 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.065 19.633 9.812 1.00 0.00 H new ATOM 18 N SER A 2 11.311 15.583 9.789 1.00 0.00 N ATOM 19 CA SER A 2 10.547 14.355 9.642 1.00 0.00 C ATOM 20 C SER A 2 9.054 14.677 9.546 1.00 0.00 C ATOM 21 O SER A 2 8.613 15.734 9.996 1.00 0.00 O ATOM 22 CB SER A 2 10.809 13.401 10.809 1.00 0.00 C ATOM 23 OG SER A 2 11.634 12.303 10.423 1.00 0.00 O ATOM 0 H SER A 2 11.063 16.144 10.604 1.00 0.00 H new ATOM 0 HA SER A 2 10.866 13.861 8.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.287 13.946 11.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.860 13.025 11.191 1.00 0.00 H new ATOM 0 HG SER A 2 11.781 11.717 11.195 1.00 0.00 H new ATOM 29 N ARG A 3 8.318 13.747 8.955 1.00 0.00 N ATOM 30 CA ARG A 3 6.884 13.918 8.794 1.00 0.00 C ATOM 31 C ARG A 3 6.137 13.241 9.944 1.00 0.00 C ATOM 32 O ARG A 3 6.724 12.474 10.706 1.00 0.00 O ATOM 33 CB ARG A 3 6.406 13.327 7.466 1.00 0.00 C ATOM 34 CG ARG A 3 6.380 11.799 7.523 1.00 0.00 C ATOM 35 CD ARG A 3 6.296 11.198 6.118 1.00 0.00 C ATOM 36 NE ARG A 3 6.223 9.723 6.201 1.00 0.00 N ATOM 37 CZ ARG A 3 7.284 8.927 6.393 1.00 0.00 C ATOM 38 NH1 ARG A 3 8.508 9.461 6.522 1.00 0.00 N ATOM 39 NH2 ARG A 3 7.123 7.598 6.455 1.00 0.00 N ATOM 0 H ARG A 3 8.688 12.873 8.582 1.00 0.00 H new ATOM 0 HA ARG A 3 6.674 14.988 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.409 13.703 7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.064 13.653 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.277 11.435 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.527 11.468 8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.418 11.585 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.167 11.495 5.534 1.00 0.00 H new ATOM 0 HE ARG A 3 5.307 9.284 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.631 10.472 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.316 8.856 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.193 7.192 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.931 6.993 6.601 1.00 0.00 H new ATOM 53 N SER A 4 4.850 13.550 10.034 1.00 0.00 N ATOM 54 CA SER A 4 4.017 12.980 11.079 1.00 0.00 C ATOM 55 C SER A 4 2.947 12.079 10.461 1.00 0.00 C ATOM 56 O SER A 4 2.239 12.487 9.541 1.00 0.00 O ATOM 57 CB SER A 4 3.363 14.079 11.920 1.00 0.00 C ATOM 58 OG SER A 4 3.666 13.942 13.306 1.00 0.00 O ATOM 0 H SER A 4 4.366 14.187 9.401 1.00 0.00 H new ATOM 0 HA SER A 4 4.650 12.384 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.702 15.054 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.282 14.048 11.780 1.00 0.00 H new ATOM 0 HG SER A 4 3.232 14.663 13.809 1.00 0.00 H new ATOM 64 N ASN A 5 2.863 10.866 10.990 1.00 0.00 N ATOM 65 CA ASN A 5 1.891 9.902 10.503 1.00 0.00 C ATOM 66 C ASN A 5 0.856 9.630 11.596 1.00 0.00 C ATOM 67 O ASN A 5 0.871 10.274 12.643 1.00 0.00 O ATOM 68 CB ASN A 5 2.564 8.574 10.147 1.00 0.00 C ATOM 69 CG ASN A 5 3.474 8.099 11.282 1.00 0.00 C ATOM 70 OD1 ASN A 5 4.665 8.362 11.307 1.00 0.00 O ATOM 71 ND2 ASN A 5 2.849 7.389 12.216 1.00 0.00 N ATOM 0 H ASN A 5 3.453 10.529 11.751 1.00 0.00 H new ATOM 0 HA ASN A 5 1.420 10.318 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.804 7.819 9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.147 8.691 9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.369 7.028 13.015 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.849 7.206 12.133 1.00 0.00 H new ATOM 78 N ARG A 6 -0.018 8.675 11.314 1.00 0.00 N ATOM 79 CA ARG A 6 -1.058 8.309 12.260 1.00 0.00 C ATOM 80 C ARG A 6 -0.614 7.110 13.100 1.00 0.00 C ATOM 81 O ARG A 6 0.493 6.601 12.927 1.00 0.00 O ATOM 82 CB ARG A 6 -2.362 7.963 11.539 1.00 0.00 C ATOM 83 CG ARG A 6 -2.314 6.542 10.971 1.00 0.00 C ATOM 84 CD ARG A 6 -2.547 6.547 9.459 1.00 0.00 C ATOM 85 NE ARG A 6 -1.265 6.353 8.748 1.00 0.00 N ATOM 86 CZ ARG A 6 -0.503 7.352 8.285 1.00 0.00 C ATOM 87 NH1 ARG A 6 -0.889 8.623 8.455 1.00 0.00 N ATOM 88 NH2 ARG A 6 0.646 7.080 7.650 1.00 0.00 N ATOM 0 H ARG A 6 -0.027 8.143 10.443 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.232 9.167 12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.199 8.054 12.231 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.536 8.675 10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.347 6.091 11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.071 5.927 11.457 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.246 5.756 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.001 7.491 9.156 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.940 5.397 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.764 8.830 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.308 9.384 8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.940 6.112 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.226 7.841 7.297 1.00 0.00 H new ATOM 102 N GLN A 7 -1.500 6.693 13.994 1.00 0.00 N ATOM 103 CA GLN A 7 -1.212 5.564 14.861 1.00 0.00 C ATOM 104 C GLN A 7 -1.946 4.315 14.366 1.00 0.00 C ATOM 105 O GLN A 7 -1.314 3.333 13.978 1.00 0.00 O ATOM 106 CB GLN A 7 -1.582 5.879 16.312 1.00 0.00 C ATOM 107 CG GLN A 7 -2.152 7.293 16.438 1.00 0.00 C ATOM 108 CD GLN A 7 -3.631 7.326 16.050 1.00 0.00 C ATOM 109 OE1 GLN A 7 -4.457 6.609 16.591 1.00 0.00 O ATOM 110 NE2 GLN A 7 -3.919 8.194 15.085 1.00 0.00 N ATOM 0 H GLN A 7 -2.417 7.117 14.136 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.140 5.369 14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.314 5.155 16.670 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.700 5.781 16.945 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.033 7.646 17.462 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.590 7.974 15.799 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.180 8.764 14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.879 8.290 14.755 1.00 0.00 H new ATOM 119 N LYS A 8 -3.268 4.394 14.397 1.00 0.00 N ATOM 120 CA LYS A 8 -4.093 3.281 13.956 1.00 0.00 C ATOM 121 C LYS A 8 -5.076 3.773 12.892 1.00 0.00 C ATOM 122 O LYS A 8 -5.371 3.057 11.937 1.00 0.00 O ATOM 123 CB LYS A 8 -4.769 2.609 15.153 1.00 0.00 C ATOM 124 CG LYS A 8 -5.525 3.633 16.003 1.00 0.00 C ATOM 125 CD LYS A 8 -6.843 4.032 15.337 1.00 0.00 C ATOM 126 CE LYS A 8 -8.037 3.649 16.212 1.00 0.00 C ATOM 127 NZ LYS A 8 -9.099 3.021 15.395 1.00 0.00 N ATOM 0 H LYS A 8 -3.788 5.210 14.720 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.478 2.510 13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.459 1.842 14.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.019 2.107 15.764 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.724 3.216 16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.905 4.518 16.150 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.851 5.107 15.154 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.927 3.543 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.716 2.960 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.430 4.536 16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.902 2.767 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.417 3.690 14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.726 2.164 14.940 1.00 0.00 H new ATOM 141 N GLU A 9 -5.558 4.990 13.093 1.00 0.00 N ATOM 142 CA GLU A 9 -6.502 5.586 12.163 1.00 0.00 C ATOM 143 C GLU A 9 -5.844 5.786 10.795 1.00 0.00 C ATOM 144 O GLU A 9 -4.929 6.596 10.655 1.00 0.00 O ATOM 145 CB GLU A 9 -7.049 6.907 12.706 1.00 0.00 C ATOM 146 CG GLU A 9 -6.026 8.032 12.546 1.00 0.00 C ATOM 147 CD GLU A 9 -6.218 8.763 11.215 1.00 0.00 C ATOM 148 OE1 GLU A 9 -7.129 8.349 10.467 1.00 0.00 O ATOM 149 OE2 GLU A 9 -5.448 9.718 10.976 1.00 0.00 O ATOM 0 H GLU A 9 -5.312 5.581 13.887 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.344 4.904 12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.967 7.168 12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.307 6.792 13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.125 8.738 13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.018 7.621 12.597 1.00 0.00 H new ATOM 156 N TYR A 10 -6.336 5.035 9.822 1.00 0.00 N ATOM 157 CA TYR A 10 -5.809 5.120 8.471 1.00 0.00 C ATOM 158 C TYR A 10 -6.940 5.190 7.444 1.00 0.00 C ATOM 159 O TYR A 10 -7.863 4.378 7.473 1.00 0.00 O ATOM 160 CB TYR A 10 -5.013 3.832 8.248 1.00 0.00 C ATOM 161 CG TYR A 10 -5.867 2.643 7.801 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.780 2.084 8.671 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.722 2.129 6.528 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.583 0.964 8.250 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.524 1.010 6.107 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.415 0.482 6.990 1.00 0.00 C ATOM 167 OH TYR A 10 -8.174 -0.574 6.593 1.00 0.00 O ATOM 0 H TYR A 10 -7.095 4.364 9.942 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.199 6.015 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.245 4.017 7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.499 3.570 9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.893 2.486 9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.007 2.567 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.302 0.517 8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.421 0.599 5.114 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.859 -0.266 5.963 1.00 0.00 H new ATOM 177 N LYS A 11 -6.831 6.170 6.558 1.00 0.00 N ATOM 178 CA LYS A 11 -7.835 6.359 5.523 1.00 0.00 C ATOM 179 C LYS A 11 -7.139 6.592 4.181 1.00 0.00 C ATOM 180 O LYS A 11 -5.910 6.590 4.106 1.00 0.00 O ATOM 181 CB LYS A 11 -8.806 7.474 5.914 1.00 0.00 C ATOM 182 CG LYS A 11 -10.086 6.899 6.522 1.00 0.00 C ATOM 183 CD LYS A 11 -11.254 7.875 6.363 1.00 0.00 C ATOM 184 CE LYS A 11 -11.696 7.968 4.902 1.00 0.00 C ATOM 185 NZ LYS A 11 -12.824 7.045 4.643 1.00 0.00 N ATOM 0 H LYS A 11 -6.063 6.841 6.535 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.445 5.462 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.328 8.143 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.053 8.071 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.329 5.953 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.927 6.685 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.091 7.549 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.959 8.862 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.994 8.990 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.860 7.723 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.873 6.833 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.679 6.162 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.713 7.490 4.947 1.00 0.00 H new ATOM 199 N CYS A 12 -7.952 6.788 3.154 1.00 0.00 N ATOM 200 CA CYS A 12 -7.429 7.021 1.820 1.00 0.00 C ATOM 201 C CYS A 12 -6.227 7.961 1.931 1.00 0.00 C ATOM 202 O CYS A 12 -6.215 8.861 2.770 1.00 0.00 O ATOM 203 CB CYS A 12 -8.503 7.578 0.880 1.00 0.00 C ATOM 204 SG CYS A 12 -7.879 7.602 -0.839 1.00 0.00 S ATOM 0 H CYS A 12 -8.970 6.790 3.219 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.110 6.075 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.403 6.966 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.781 8.586 1.189 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.798 8.074 -1.628 1.00 0.00 H new ATOM 210 N GLY A 13 -5.246 7.719 1.074 1.00 0.00 N ATOM 211 CA GLY A 13 -4.042 8.532 1.066 1.00 0.00 C ATOM 212 C GLY A 13 -2.972 7.936 1.982 1.00 0.00 C ATOM 213 O GLY A 13 -1.876 8.482 2.102 1.00 0.00 O ATOM 0 H GLY A 13 -5.260 6.971 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.656 8.606 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.281 9.545 1.391 1.00 0.00 H new ATOM 217 N ASP A 14 -3.326 6.822 2.607 1.00 0.00 N ATOM 218 CA ASP A 14 -2.410 6.146 3.510 1.00 0.00 C ATOM 219 C ASP A 14 -1.648 5.064 2.739 1.00 0.00 C ATOM 220 O ASP A 14 -2.227 4.365 1.910 1.00 0.00 O ATOM 221 CB ASP A 14 -3.165 5.467 4.654 1.00 0.00 C ATOM 222 CG ASP A 14 -2.303 5.081 5.859 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.261 4.432 5.625 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.705 5.446 6.984 1.00 0.00 O ATOM 0 H ASP A 14 -4.235 6.371 2.506 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.729 6.891 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.958 6.134 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.647 4.569 4.268 1.00 0.00 H new ATOM 229 N LEU A 15 -0.363 4.962 3.043 1.00 0.00 N ATOM 230 CA LEU A 15 0.483 3.979 2.390 1.00 0.00 C ATOM 231 C LEU A 15 0.944 2.944 3.419 1.00 0.00 C ATOM 232 O LEU A 15 1.335 3.300 4.530 1.00 0.00 O ATOM 233 CB LEU A 15 1.634 4.666 1.653 1.00 0.00 C ATOM 234 CG LEU A 15 1.671 4.469 0.136 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.617 2.984 -0.227 1.00 0.00 C ATOM 236 CD2 LEU A 15 0.558 5.267 -0.547 1.00 0.00 C ATOM 0 H LEU A 15 0.113 5.544 3.733 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.079 3.442 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.585 5.735 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.574 4.304 2.070 1.00 0.00 H new ATOM 0 HG LEU A 15 2.620 4.856 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.645 2.873 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.472 2.471 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.695 2.548 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.606 5.110 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.410 4.933 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.684 6.327 -0.329 1.00 0.00 H new ATOM 248 N VAL A 16 0.881 1.684 3.014 1.00 0.00 N ATOM 249 CA VAL A 16 1.287 0.596 3.888 1.00 0.00 C ATOM 250 C VAL A 16 1.707 -0.605 3.038 1.00 0.00 C ATOM 251 O VAL A 16 1.640 -0.556 1.811 1.00 0.00 O ATOM 252 CB VAL A 16 0.162 0.268 4.872 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.279 1.114 6.141 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.209 0.448 4.216 1.00 0.00 C ATOM 0 H VAL A 16 0.555 1.392 2.093 1.00 0.00 H new ATOM 0 HA VAL A 16 2.150 0.888 4.487 1.00 0.00 H new ATOM 0 HB VAL A 16 0.261 -0.779 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.533 0.861 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.235 0.914 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.218 2.171 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.991 0.209 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.322 1.481 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.291 -0.217 3.357 1.00 0.00 H new ATOM 264 N PHE A 17 2.133 -1.654 3.724 1.00 0.00 N ATOM 265 CA PHE A 17 2.564 -2.867 3.048 1.00 0.00 C ATOM 266 C PHE A 17 1.400 -3.846 2.880 1.00 0.00 C ATOM 267 O PHE A 17 0.928 -4.425 3.857 1.00 0.00 O ATOM 268 CB PHE A 17 3.637 -3.512 3.928 1.00 0.00 C ATOM 269 CG PHE A 17 5.010 -3.617 3.261 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.129 -4.195 2.036 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.111 -3.130 3.893 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.403 -4.293 1.418 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.385 -3.228 3.274 1.00 0.00 C ATOM 274 CZ PHE A 17 7.504 -3.806 2.049 1.00 0.00 C ATOM 0 H PHE A 17 2.189 -1.690 4.742 1.00 0.00 H new ATOM 0 HA PHE A 17 2.944 -2.625 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.734 -2.934 4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.306 -4.511 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.254 -4.580 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.016 -2.669 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.498 -4.755 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.260 -2.843 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.473 -3.878 1.578 1.00 0.00 H new ATOM 284 N ALA A 18 0.974 -3.999 1.636 1.00 0.00 N ATOM 285 CA ALA A 18 -0.126 -4.898 1.328 1.00 0.00 C ATOM 286 C ALA A 18 0.434 -6.263 0.926 1.00 0.00 C ATOM 287 O ALA A 18 1.409 -6.342 0.179 1.00 0.00 O ATOM 288 CB ALA A 18 -0.999 -4.280 0.234 1.00 0.00 C ATOM 0 H ALA A 18 1.370 -3.516 0.829 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.758 -5.046 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.824 -4.954 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.396 -3.326 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.400 -4.119 -0.662 1.00 0.00 H new ATOM 294 N LYS A 19 -0.206 -7.305 1.439 1.00 0.00 N ATOM 295 CA LYS A 19 0.217 -8.663 1.142 1.00 0.00 C ATOM 296 C LYS A 19 -0.960 -9.439 0.547 1.00 0.00 C ATOM 297 O LYS A 19 -2.097 -9.286 0.990 1.00 0.00 O ATOM 298 CB LYS A 19 0.822 -9.318 2.385 1.00 0.00 C ATOM 299 CG LYS A 19 1.822 -10.410 1.996 1.00 0.00 C ATOM 300 CD LYS A 19 2.847 -10.636 3.109 1.00 0.00 C ATOM 301 CE LYS A 19 3.569 -11.973 2.927 1.00 0.00 C ATOM 302 NZ LYS A 19 3.134 -12.942 3.956 1.00 0.00 N ATOM 0 H LYS A 19 -1.014 -7.235 2.058 1.00 0.00 H new ATOM 0 HA LYS A 19 1.009 -8.662 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.320 -8.563 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.029 -9.747 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.290 -11.339 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.335 -10.128 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.574 -9.823 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.347 -10.617 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.363 -12.372 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.647 -11.823 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.634 -13.843 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.353 -12.567 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.109 -13.098 3.874 1.00 0.00 H new ATOM 316 N MET A 20 -0.645 -10.258 -0.447 1.00 0.00 N ATOM 317 CA MET A 20 -1.662 -11.059 -1.107 1.00 0.00 C ATOM 318 C MET A 20 -1.232 -12.525 -1.197 1.00 0.00 C ATOM 319 O MET A 20 -0.041 -12.828 -1.166 1.00 0.00 O ATOM 320 CB MET A 20 -1.909 -10.512 -2.515 1.00 0.00 C ATOM 321 CG MET A 20 -3.253 -10.995 -3.062 1.00 0.00 C ATOM 322 SD MET A 20 -4.113 -9.643 -3.849 1.00 0.00 S ATOM 323 CE MET A 20 -5.330 -10.554 -4.786 1.00 0.00 C ATOM 0 H MET A 20 0.300 -10.384 -0.811 1.00 0.00 H new ATOM 0 HA MET A 20 -2.579 -11.004 -0.520 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.891 -9.422 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.106 -10.831 -3.179 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.095 -11.802 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.860 -11.401 -2.253 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.957 -9.857 -5.342 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.826 -11.224 -5.483 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.951 -11.138 -4.106 1.00 0.00 H new ATOM 333 N LYS A 21 -2.226 -13.393 -1.304 1.00 0.00 N ATOM 334 CA LYS A 21 -1.966 -14.820 -1.399 1.00 0.00 C ATOM 335 C LYS A 21 -1.045 -15.089 -2.591 1.00 0.00 C ATOM 336 O LYS A 21 -1.333 -14.665 -3.710 1.00 0.00 O ATOM 337 CB LYS A 21 -3.280 -15.602 -1.447 1.00 0.00 C ATOM 338 CG LYS A 21 -3.113 -16.993 -0.835 1.00 0.00 C ATOM 339 CD LYS A 21 -3.596 -17.015 0.616 1.00 0.00 C ATOM 340 CE LYS A 21 -3.972 -18.435 1.048 1.00 0.00 C ATOM 341 NZ LYS A 21 -5.094 -18.404 2.013 1.00 0.00 N ATOM 0 H LYS A 21 -3.213 -13.137 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.445 -15.172 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.053 -15.054 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.615 -15.693 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.675 -17.721 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.065 -17.290 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.814 -16.627 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.458 -16.357 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.252 -19.025 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.109 -18.924 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.336 -19.375 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.814 -17.859 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.921 -17.956 1.569 1.00 0.00 H new ATOM 355 N GLY A 22 0.043 -15.791 -2.312 1.00 0.00 N ATOM 356 CA GLY A 22 1.007 -16.122 -3.347 1.00 0.00 C ATOM 357 C GLY A 22 1.987 -14.969 -3.571 1.00 0.00 C ATOM 358 O GLY A 22 3.041 -15.153 -4.180 1.00 0.00 O ATOM 0 H GLY A 22 0.278 -16.140 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.555 -17.021 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.485 -16.346 -4.277 1.00 0.00 H new ATOM 362 N TYR A 23 1.606 -13.804 -3.067 1.00 0.00 N ATOM 363 CA TYR A 23 2.439 -12.621 -3.205 1.00 0.00 C ATOM 364 C TYR A 23 2.921 -12.127 -1.839 1.00 0.00 C ATOM 365 O TYR A 23 2.124 -11.970 -0.915 1.00 0.00 O ATOM 366 CB TYR A 23 1.547 -11.549 -3.836 1.00 0.00 C ATOM 367 CG TYR A 23 2.292 -10.584 -4.760 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.756 -11.022 -5.984 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.502 -9.278 -4.371 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.457 -10.115 -6.856 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.203 -8.370 -5.241 1.00 0.00 C ATOM 372 CZ TYR A 23 3.646 -8.833 -6.441 1.00 0.00 C ATOM 373 OH TYR A 23 4.309 -7.976 -7.263 1.00 0.00 O ATOM 0 H TYR A 23 0.732 -13.654 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 23 3.320 -12.840 -3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.754 -12.038 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.066 -10.977 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.593 -12.045 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.140 -8.936 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.824 -10.445 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.373 -7.345 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 23 5.049 -7.560 -6.774 1.00 0.00 H new ATOM 383 N PRO A 24 4.257 -11.892 -1.752 1.00 0.00 N ATOM 384 CA PRO A 24 4.854 -11.420 -0.515 1.00 0.00 C ATOM 385 C PRO A 24 4.544 -9.939 -0.286 1.00 0.00 C ATOM 386 O PRO A 24 4.090 -9.248 -1.196 1.00 0.00 O ATOM 387 CB PRO A 24 6.342 -11.698 -0.665 1.00 0.00 C ATOM 388 CG PRO A 24 6.583 -11.884 -2.155 1.00 0.00 C ATOM 389 CD PRO A 24 5.231 -12.067 -2.826 1.00 0.00 C ATOM 0 HA PRO A 24 4.454 -11.925 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.935 -10.872 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.631 -12.589 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.101 -11.019 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.219 -12.751 -2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.081 -11.335 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.145 -13.054 -3.281 1.00 0.00 H new ATOM 397 N HIS A 25 4.799 -9.497 0.937 1.00 0.00 N ATOM 398 CA HIS A 25 4.552 -8.111 1.297 1.00 0.00 C ATOM 399 C HIS A 25 4.976 -7.197 0.148 1.00 0.00 C ATOM 400 O HIS A 25 6.081 -7.329 -0.380 1.00 0.00 O ATOM 401 CB HIS A 25 5.241 -7.762 2.618 1.00 0.00 C ATOM 402 CG HIS A 25 4.289 -7.386 3.728 1.00 0.00 C ATOM 403 ND1 HIS A 25 4.538 -7.675 5.059 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.087 -6.742 3.692 1.00 0.00 C ATOM 405 CE1 HIS A 25 3.524 -7.221 5.781 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.626 -6.643 4.933 1.00 0.00 N ATOM 0 H HIS A 25 5.174 -10.074 1.690 1.00 0.00 H new ATOM 0 HA HIS A 25 3.485 -7.959 1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.839 -8.614 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.930 -6.935 2.449 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.361 -8.155 5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.594 -6.375 2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.426 -7.296 6.854 1.00 0.00 H new ATOM 414 N TRP A 26 4.078 -6.290 -0.210 1.00 0.00 N ATOM 415 CA TRP A 26 4.346 -5.355 -1.288 1.00 0.00 C ATOM 416 C TRP A 26 3.787 -3.991 -0.880 1.00 0.00 C ATOM 417 O TRP A 26 2.737 -3.909 -0.244 1.00 0.00 O ATOM 418 CB TRP A 26 3.771 -5.864 -2.611 1.00 0.00 C ATOM 419 CG TRP A 26 4.755 -5.806 -3.781 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.009 -4.771 -4.595 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.615 -6.872 -4.237 1.00 0.00 C ATOM 422 NE1 TRP A 26 5.963 -5.092 -5.539 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.342 -6.410 -5.314 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.770 -8.184 -3.757 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.278 -7.194 -6.001 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.708 -8.956 -4.454 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.449 -8.505 -5.540 1.00 0.00 C ATOM 0 H TRP A 26 3.163 -6.184 0.229 1.00 0.00 H new ATOM 0 HA TRP A 26 5.419 -5.257 -1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.440 -6.894 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.889 -5.275 -2.862 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.527 -3.807 -4.521 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.323 -4.476 -6.267 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.210 -8.567 -2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.837 -6.808 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.867 -9.972 -4.125 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.154 -9.163 -6.026 1.00 0.00 H new ATOM 438 N PRO A 27 4.533 -2.923 -1.274 1.00 0.00 N ATOM 439 CA PRO A 27 4.122 -1.566 -0.957 1.00 0.00 C ATOM 440 C PRO A 27 2.958 -1.122 -1.844 1.00 0.00 C ATOM 441 O PRO A 27 3.133 -0.908 -3.042 1.00 0.00 O ATOM 442 CB PRO A 27 5.371 -0.722 -1.152 1.00 0.00 C ATOM 443 CG PRO A 27 6.307 -1.554 -2.015 1.00 0.00 C ATOM 444 CD PRO A 27 5.781 -2.980 -2.030 1.00 0.00 C ATOM 0 HA PRO A 27 3.745 -1.469 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.131 0.224 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.833 -0.482 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.351 -1.152 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.321 -1.525 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.611 -3.329 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.491 -3.669 -1.571 1.00 0.00 H new ATOM 452 N ALA A 28 1.795 -1.001 -1.220 1.00 0.00 N ATOM 453 CA ALA A 28 0.601 -0.587 -1.939 1.00 0.00 C ATOM 454 C ALA A 28 -0.076 0.555 -1.179 1.00 0.00 C ATOM 455 O ALA A 28 0.115 0.703 0.027 1.00 0.00 O ATOM 456 CB ALA A 28 -0.324 -1.791 -2.127 1.00 0.00 C ATOM 0 H ALA A 28 1.654 -1.182 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 28 0.859 -0.216 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.219 -1.481 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.194 -2.562 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.607 -2.188 -1.152 1.00 0.00 H new ATOM 462 N ARG A 29 -0.853 1.335 -1.917 1.00 0.00 N ATOM 463 CA ARG A 29 -1.560 2.459 -1.327 1.00 0.00 C ATOM 464 C ARG A 29 -2.999 2.065 -0.991 1.00 0.00 C ATOM 465 O ARG A 29 -3.534 1.112 -1.556 1.00 0.00 O ATOM 466 CB ARG A 29 -1.576 3.659 -2.277 1.00 0.00 C ATOM 467 CG ARG A 29 -2.650 3.491 -3.355 1.00 0.00 C ATOM 468 CD ARG A 29 -2.311 4.315 -4.598 1.00 0.00 C ATOM 469 NE ARG A 29 -3.534 4.964 -5.122 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.532 6.069 -5.881 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.371 6.654 -6.209 1.00 0.00 N ATOM 472 NH2 ARG A 29 -4.689 6.589 -6.311 1.00 0.00 N ATOM 0 H ARG A 29 -1.008 1.211 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.034 2.739 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.763 4.572 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.598 3.769 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.738 2.439 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.618 3.801 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.565 5.071 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.874 3.673 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.434 4.544 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.490 6.258 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.369 7.495 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.572 6.144 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.687 7.430 -6.888 1.00 0.00 H new ATOM 486 N ILE A 30 -3.585 2.819 -0.071 1.00 0.00 N ATOM 487 CA ILE A 30 -4.952 2.559 0.348 1.00 0.00 C ATOM 488 C ILE A 30 -5.910 3.392 -0.508 1.00 0.00 C ATOM 489 O ILE A 30 -5.596 4.524 -0.874 1.00 0.00 O ATOM 490 CB ILE A 30 -5.106 2.797 1.850 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.828 1.625 2.519 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.802 4.131 2.127 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.228 1.435 1.932 1.00 0.00 C ATOM 0 H ILE A 30 -3.138 3.609 0.395 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.207 1.512 0.187 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.110 2.857 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.247 0.712 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.901 1.803 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.898 4.275 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.212 4.944 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.792 4.126 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.719 0.596 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.814 2.341 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.150 1.233 0.864 1.00 0.00 H new ATOM 505 N ASP A 31 -7.058 2.801 -0.800 1.00 0.00 N ATOM 506 CA ASP A 31 -8.062 3.474 -1.606 1.00 0.00 C ATOM 507 C ASP A 31 -9.440 2.882 -1.295 1.00 0.00 C ATOM 508 O ASP A 31 -9.552 1.704 -0.956 1.00 0.00 O ATOM 509 CB ASP A 31 -7.792 3.282 -3.099 1.00 0.00 C ATOM 510 CG ASP A 31 -6.567 4.026 -3.635 1.00 0.00 C ATOM 511 OD1 ASP A 31 -6.522 5.260 -3.440 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.703 3.344 -4.228 1.00 0.00 O ATOM 0 H ASP A 31 -7.316 1.863 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.027 4.537 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.667 2.217 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.670 3.609 -3.657 1.00 0.00 H new ATOM 517 N GLU A 32 -10.453 3.725 -1.422 1.00 0.00 N ATOM 518 CA GLU A 32 -11.818 3.301 -1.160 1.00 0.00 C ATOM 519 C GLU A 32 -12.523 2.939 -2.468 1.00 0.00 C ATOM 520 O GLU A 32 -12.183 3.468 -3.527 1.00 0.00 O ATOM 521 CB GLU A 32 -12.591 4.379 -0.399 1.00 0.00 C ATOM 522 CG GLU A 32 -13.527 3.755 0.639 1.00 0.00 C ATOM 523 CD GLU A 32 -13.501 4.548 1.948 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.636 5.788 1.862 1.00 0.00 O ATOM 525 OE2 GLU A 32 -13.348 3.897 3.003 1.00 0.00 O ATOM 0 H GLU A 32 -10.356 4.701 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.786 2.412 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.891 5.052 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.170 4.980 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.544 3.727 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.230 2.724 0.829 1.00 0.00 H new ATOM 532 N MET A 33 -13.492 2.044 -2.353 1.00 0.00 N ATOM 533 CA MET A 33 -14.248 1.606 -3.515 1.00 0.00 C ATOM 534 C MET A 33 -15.230 2.688 -3.969 1.00 0.00 C ATOM 535 O MET A 33 -16.180 3.009 -3.257 1.00 0.00 O ATOM 536 CB MET A 33 -15.018 0.330 -3.173 1.00 0.00 C ATOM 537 CG MET A 33 -14.600 -0.825 -4.085 1.00 0.00 C ATOM 538 SD MET A 33 -14.954 -0.416 -5.786 1.00 0.00 S ATOM 539 CE MET A 33 -16.315 -1.530 -6.096 1.00 0.00 C ATOM 0 H MET A 33 -13.772 1.610 -1.473 1.00 0.00 H new ATOM 0 HA MET A 33 -13.548 1.411 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.837 0.060 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 33 -16.088 0.509 -3.275 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.536 -1.028 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.132 -1.734 -3.802 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.904 -1.160 -6.935 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.927 -2.521 -6.333 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.945 -1.590 -5.209 1.00 0.00 H new ATOM 549 N PRO A 34 -14.960 3.238 -5.184 1.00 0.00 N ATOM 550 CA PRO A 34 -15.808 4.278 -5.741 1.00 0.00 C ATOM 551 C PRO A 34 -17.124 3.691 -6.260 1.00 0.00 C ATOM 552 O PRO A 34 -17.260 2.476 -6.383 1.00 0.00 O ATOM 553 CB PRO A 34 -14.973 4.922 -6.835 1.00 0.00 C ATOM 554 CG PRO A 34 -13.873 3.925 -7.162 1.00 0.00 C ATOM 555 CD PRO A 34 -13.843 2.884 -6.055 1.00 0.00 C ATOM 0 HA PRO A 34 -16.109 5.019 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.580 5.136 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.553 5.870 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.061 3.452 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.910 4.430 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.957 1.877 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.897 2.907 -5.515 1.00 0.00 H new ATOM 563 N GLU A 35 -18.057 4.585 -6.551 1.00 0.00 N ATOM 564 CA GLU A 35 -19.356 4.172 -7.054 1.00 0.00 C ATOM 565 C GLU A 35 -19.671 4.892 -8.367 1.00 0.00 C ATOM 566 O GLU A 35 -20.831 5.164 -8.668 1.00 0.00 O ATOM 567 CB GLU A 35 -20.451 4.425 -6.016 1.00 0.00 C ATOM 568 CG GLU A 35 -20.675 5.923 -5.806 1.00 0.00 C ATOM 569 CD GLU A 35 -21.302 6.199 -4.438 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.515 5.933 -4.305 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.551 6.669 -3.555 1.00 0.00 O ATOM 0 H GLU A 35 -17.940 5.593 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.324 3.100 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.380 3.957 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.174 3.959 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.725 6.451 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.323 6.311 -6.592 1.00 0.00 H new ATOM 578 N ALA A 36 -18.614 5.178 -9.114 1.00 0.00 N ATOM 579 CA ALA A 36 -18.764 5.861 -10.389 1.00 0.00 C ATOM 580 C ALA A 36 -18.963 4.825 -11.498 1.00 0.00 C ATOM 581 O ALA A 36 -20.073 4.337 -11.702 1.00 0.00 O ATOM 582 CB ALA A 36 -17.543 6.751 -10.637 1.00 0.00 C ATOM 0 H ALA A 36 -17.652 4.950 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.643 6.506 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.654 7.263 -11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.461 7.487 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.643 6.136 -10.658 1.00 0.00 H new ATOM 588 N ALA A 37 -17.871 4.521 -12.182 1.00 0.00 N ATOM 589 CA ALA A 37 -17.913 3.552 -13.265 1.00 0.00 C ATOM 590 C ALA A 37 -18.832 2.393 -12.871 1.00 0.00 C ATOM 591 O ALA A 37 -19.685 1.979 -13.653 1.00 0.00 O ATOM 592 CB ALA A 37 -16.492 3.086 -13.588 1.00 0.00 C ATOM 0 H ALA A 37 -16.952 4.928 -12.008 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.321 4.004 -14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.523 2.359 -14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.888 3.942 -13.890 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.051 2.624 -12.705 1.00 0.00 H new ATOM 598 N VAL A 38 -18.623 1.902 -11.657 1.00 0.00 N ATOM 599 CA VAL A 38 -19.422 0.800 -11.150 1.00 0.00 C ATOM 600 C VAL A 38 -19.924 1.143 -9.746 1.00 0.00 C ATOM 601 O VAL A 38 -19.587 2.192 -9.202 1.00 0.00 O ATOM 602 CB VAL A 38 -18.611 -0.498 -11.195 1.00 0.00 C ATOM 603 CG1 VAL A 38 -18.314 -0.908 -12.639 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.320 -0.365 -10.386 1.00 0.00 C ATOM 0 H VAL A 38 -17.913 2.247 -11.011 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.298 0.642 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.212 -1.285 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.737 -1.833 -12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.251 -1.063 -13.173 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.742 -0.121 -13.130 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.762 -1.300 -10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.713 0.441 -10.799 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.563 -0.140 -9.347 1.00 0.00 H new ATOM 614 N LYS A 39 -20.720 0.235 -9.199 1.00 0.00 N ATOM 615 CA LYS A 39 -21.272 0.429 -7.869 1.00 0.00 C ATOM 616 C LYS A 39 -20.207 0.085 -6.825 1.00 0.00 C ATOM 617 O LYS A 39 -19.405 -0.824 -7.028 1.00 0.00 O ATOM 618 CB LYS A 39 -22.571 -0.364 -7.706 1.00 0.00 C ATOM 619 CG LYS A 39 -22.283 -1.856 -7.523 1.00 0.00 C ATOM 620 CD LYS A 39 -22.917 -2.677 -8.647 1.00 0.00 C ATOM 621 CE LYS A 39 -21.844 -3.287 -9.553 1.00 0.00 C ATOM 622 NZ LYS A 39 -21.382 -4.584 -9.009 1.00 0.00 N ATOM 0 H LYS A 39 -20.995 -0.636 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.543 1.474 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.125 0.011 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.204 -0.217 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.206 -2.023 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.671 -2.190 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -23.532 -3.470 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -23.579 -2.043 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.245 -3.429 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.001 -2.602 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.655 -4.984 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.981 -4.439 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.186 -5.241 -8.948 1.00 0.00 H new ATOM 636 N SER A 40 -20.235 0.831 -5.730 1.00 0.00 N ATOM 637 CA SER A 40 -19.283 0.616 -4.654 1.00 0.00 C ATOM 638 C SER A 40 -19.805 -0.460 -3.700 1.00 0.00 C ATOM 639 O SER A 40 -21.012 -0.585 -3.500 1.00 0.00 O ATOM 640 CB SER A 40 -19.010 1.914 -3.892 1.00 0.00 C ATOM 641 OG SER A 40 -18.159 1.705 -2.769 1.00 0.00 O ATOM 0 H SER A 40 -20.902 1.585 -5.565 1.00 0.00 H new ATOM 0 HA SER A 40 -18.343 0.279 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.552 2.639 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.954 2.343 -3.556 1.00 0.00 H new ATOM 0 HG SER A 40 -17.502 2.431 -2.717 1.00 0.00 H new ATOM 647 N THR A 41 -18.869 -1.210 -3.136 1.00 0.00 N ATOM 648 CA THR A 41 -19.219 -2.271 -2.206 1.00 0.00 C ATOM 649 C THR A 41 -18.669 -1.963 -0.813 1.00 0.00 C ATOM 650 O THR A 41 -17.533 -1.510 -0.677 1.00 0.00 O ATOM 651 CB THR A 41 -18.708 -3.593 -2.783 1.00 0.00 C ATOM 652 OG1 THR A 41 -17.423 -3.270 -3.304 1.00 0.00 O ATOM 653 CG2 THR A 41 -19.505 -4.044 -4.010 1.00 0.00 C ATOM 0 H THR A 41 -17.869 -1.104 -3.305 1.00 0.00 H new ATOM 0 HA THR A 41 -20.299 -2.349 -2.084 1.00 0.00 H new ATOM 0 HB THR A 41 -18.755 -4.366 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.018 -4.072 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.101 -4.987 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.551 -4.180 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.431 -3.287 -4.790 1.00 0.00 H new ATOM 661 N ALA A 42 -19.500 -2.220 0.187 1.00 0.00 N ATOM 662 CA ALA A 42 -19.109 -1.976 1.565 1.00 0.00 C ATOM 663 C ALA A 42 -18.437 -3.228 2.130 1.00 0.00 C ATOM 664 O ALA A 42 -18.410 -4.271 1.478 1.00 0.00 O ATOM 665 CB ALA A 42 -20.338 -1.557 2.376 1.00 0.00 C ATOM 0 H ALA A 42 -20.442 -2.594 0.070 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.387 -1.162 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.046 -1.374 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.761 -0.647 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -21.083 -2.352 2.345 1.00 0.00 H new ATOM 671 N ASN A 43 -17.912 -3.086 3.338 1.00 0.00 N ATOM 672 CA ASN A 43 -17.241 -4.192 3.998 1.00 0.00 C ATOM 673 C ASN A 43 -16.062 -4.654 3.140 1.00 0.00 C ATOM 674 O ASN A 43 -15.862 -5.852 2.946 1.00 0.00 O ATOM 675 CB ASN A 43 -18.187 -5.382 4.179 1.00 0.00 C ATOM 676 CG ASN A 43 -19.586 -4.912 4.586 1.00 0.00 C ATOM 677 OD1 ASN A 43 -19.857 -4.614 5.738 1.00 0.00 O ATOM 678 ND2 ASN A 43 -20.454 -4.863 3.581 1.00 0.00 N ATOM 0 H ASN A 43 -17.938 -2.221 3.877 1.00 0.00 H new ATOM 0 HA ASN A 43 -16.904 -3.846 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -18.246 -5.949 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.790 -6.055 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.414 -4.562 3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -20.161 -5.127 2.640 1.00 0.00 H new ATOM 685 N LYS A 44 -15.310 -3.679 2.651 1.00 0.00 N ATOM 686 CA LYS A 44 -14.155 -3.968 1.818 1.00 0.00 C ATOM 687 C LYS A 44 -13.388 -2.673 1.547 1.00 0.00 C ATOM 688 O LYS A 44 -13.978 -1.594 1.518 1.00 0.00 O ATOM 689 CB LYS A 44 -14.582 -4.708 0.550 1.00 0.00 C ATOM 690 CG LYS A 44 -15.404 -3.797 -0.366 1.00 0.00 C ATOM 691 CD LYS A 44 -14.501 -3.055 -1.355 1.00 0.00 C ATOM 692 CE LYS A 44 -14.081 -3.971 -2.507 1.00 0.00 C ATOM 693 NZ LYS A 44 -12.701 -4.462 -2.302 1.00 0.00 N ATOM 0 H LYS A 44 -15.478 -2.687 2.816 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.470 -4.640 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.700 -5.064 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.169 -5.586 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.137 -4.390 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.960 -3.077 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.026 -2.185 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.615 -2.686 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.767 -4.815 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.144 -3.430 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.268 -4.675 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.141 -3.732 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.722 -5.325 -1.722 1.00 0.00 H new ATOM 707 N TYR A 45 -12.087 -2.823 1.353 1.00 0.00 N ATOM 708 CA TYR A 45 -11.233 -1.678 1.085 1.00 0.00 C ATOM 709 C TYR A 45 -10.361 -1.922 -0.147 1.00 0.00 C ATOM 710 O TYR A 45 -9.739 -2.975 -0.274 1.00 0.00 O ATOM 711 CB TYR A 45 -10.330 -1.528 2.312 1.00 0.00 C ATOM 712 CG TYR A 45 -10.234 -0.096 2.842 1.00 0.00 C ATOM 713 CD1 TYR A 45 -10.419 0.970 1.986 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.961 0.129 4.176 1.00 0.00 C ATOM 715 CE1 TYR A 45 -10.327 2.318 2.485 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.870 1.476 4.674 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.059 2.505 3.805 1.00 0.00 C ATOM 718 OH TYR A 45 -9.973 3.778 4.277 1.00 0.00 O ATOM 0 H TYR A 45 -11.602 -3.720 1.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.833 -0.788 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.703 -2.174 3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.329 -1.879 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.633 0.794 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.816 -0.706 4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.468 3.162 1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.656 1.666 5.715 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.778 3.758 5.237 1.00 0.00 H new ATOM 728 N GLN A 46 -10.343 -0.929 -1.025 1.00 0.00 N ATOM 729 CA GLN A 46 -9.557 -1.023 -2.245 1.00 0.00 C ATOM 730 C GLN A 46 -8.083 -0.741 -1.950 1.00 0.00 C ATOM 731 O GLN A 46 -7.764 0.159 -1.173 1.00 0.00 O ATOM 732 CB GLN A 46 -10.094 -0.071 -3.316 1.00 0.00 C ATOM 733 CG GLN A 46 -9.157 -0.024 -4.525 1.00 0.00 C ATOM 734 CD GLN A 46 -9.887 0.498 -5.765 1.00 0.00 C ATOM 735 OE1 GLN A 46 -10.597 -0.223 -6.447 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.675 1.787 -6.016 1.00 0.00 N ATOM 0 H GLN A 46 -10.859 -0.056 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.641 -2.039 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.086 -0.395 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.204 0.929 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.304 0.618 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.763 -1.021 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.069 2.333 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.119 2.230 -6.821 1.00 0.00 H new ATOM 745 N VAL A 47 -7.225 -1.524 -2.584 1.00 0.00 N ATOM 746 CA VAL A 47 -5.792 -1.370 -2.399 1.00 0.00 C ATOM 747 C VAL A 47 -5.107 -1.336 -3.765 1.00 0.00 C ATOM 748 O VAL A 47 -5.381 -2.174 -4.623 1.00 0.00 O ATOM 749 CB VAL A 47 -5.260 -2.481 -1.491 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.767 -2.718 -1.732 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.534 -2.163 -0.019 1.00 0.00 C ATOM 0 H VAL A 47 -7.494 -2.268 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.570 -0.426 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.790 -3.401 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.414 -3.512 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.608 -3.009 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.215 -1.802 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.146 -2.968 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.043 -1.227 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.608 -2.067 0.139 1.00 0.00 H new ATOM 761 N PHE A 48 -4.227 -0.358 -3.926 1.00 0.00 N ATOM 762 CA PHE A 48 -3.500 -0.202 -5.175 1.00 0.00 C ATOM 763 C PHE A 48 -2.035 -0.612 -5.011 1.00 0.00 C ATOM 764 O PHE A 48 -1.268 0.074 -4.337 1.00 0.00 O ATOM 765 CB PHE A 48 -3.564 1.280 -5.549 1.00 0.00 C ATOM 766 CG PHE A 48 -4.109 1.544 -6.954 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.939 0.618 -7.935 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.764 2.706 -7.222 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.443 0.864 -9.239 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.270 2.952 -8.526 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.098 2.025 -9.507 1.00 0.00 C ATOM 0 H PHE A 48 -4.001 0.334 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.943 -0.834 -5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.190 1.800 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.564 1.707 -5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.420 -0.305 -7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.899 3.442 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.306 0.129 -10.018 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.791 3.874 -8.739 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.482 2.211 -10.499 1.00 0.00 H new ATOM 781 N PHE A 49 -1.693 -1.728 -5.637 1.00 0.00 N ATOM 782 CA PHE A 49 -0.333 -2.236 -5.569 1.00 0.00 C ATOM 783 C PHE A 49 0.587 -1.474 -6.524 1.00 0.00 C ATOM 784 O PHE A 49 0.316 -1.394 -7.722 1.00 0.00 O ATOM 785 CB PHE A 49 -0.384 -3.706 -5.993 1.00 0.00 C ATOM 786 CG PHE A 49 -0.552 -4.684 -4.829 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.482 -4.442 -3.867 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.229 -5.796 -4.756 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.638 -5.351 -2.786 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.073 -6.704 -3.677 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.857 -6.462 -2.713 1.00 0.00 C ATOM 0 H PHE A 49 -2.333 -2.295 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 49 0.059 -2.116 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.209 -3.844 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.532 -3.951 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.102 -3.559 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.968 -5.987 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.377 -5.160 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.692 -7.587 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.975 -7.152 -1.890 1.00 0.00 H new ATOM 801 N PHE A 50 1.655 -0.931 -5.959 1.00 0.00 N ATOM 802 CA PHE A 50 2.617 -0.178 -6.746 1.00 0.00 C ATOM 803 C PHE A 50 3.618 -1.110 -7.430 1.00 0.00 C ATOM 804 O PHE A 50 4.367 -0.687 -8.308 1.00 0.00 O ATOM 805 CB PHE A 50 3.369 0.737 -5.776 1.00 0.00 C ATOM 806 CG PHE A 50 2.621 2.026 -5.430 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.251 2.885 -6.418 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.326 2.313 -4.133 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.557 4.081 -6.097 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.633 3.509 -3.812 1.00 0.00 C ATOM 811 CZ PHE A 50 1.262 4.368 -4.799 1.00 0.00 C ATOM 0 H PHE A 50 1.876 -0.997 -4.965 1.00 0.00 H new ATOM 0 HA PHE A 50 2.101 0.387 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.570 0.188 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.335 0.995 -6.211 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.485 2.657 -7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.619 1.631 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.263 4.763 -6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.400 3.737 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.734 5.277 -4.553 1.00 0.00 H new ATOM 821 N GLY A 51 3.599 -2.364 -7.000 1.00 0.00 N ATOM 822 CA GLY A 51 4.494 -3.361 -7.559 1.00 0.00 C ATOM 823 C GLY A 51 4.066 -3.751 -8.975 1.00 0.00 C ATOM 824 O GLY A 51 4.843 -3.620 -9.921 1.00 0.00 O ATOM 0 H GLY A 51 2.977 -2.711 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.512 -2.971 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.503 -4.245 -6.922 1.00 0.00 H new ATOM 828 N THR A 52 2.832 -4.223 -9.077 1.00 0.00 N ATOM 829 CA THR A 52 2.292 -4.633 -10.361 1.00 0.00 C ATOM 830 C THR A 52 1.583 -3.461 -11.040 1.00 0.00 C ATOM 831 O THR A 52 1.314 -3.504 -12.240 1.00 0.00 O ATOM 832 CB THR A 52 1.380 -5.840 -10.126 1.00 0.00 C ATOM 833 OG1 THR A 52 0.253 -5.296 -9.444 1.00 0.00 O ATOM 834 CG2 THR A 52 1.972 -6.836 -9.128 1.00 0.00 C ATOM 0 H THR A 52 2.191 -4.330 -8.291 1.00 0.00 H new ATOM 0 HA THR A 52 3.085 -4.934 -11.046 1.00 0.00 H new ATOM 0 HB THR A 52 1.194 -6.343 -11.075 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.390 -6.010 -9.254 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.285 -7.672 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.926 -7.205 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.127 -6.342 -8.169 1.00 0.00 H new ATOM 842 N HIS A 53 1.300 -2.440 -10.245 1.00 0.00 N ATOM 843 CA HIS A 53 0.629 -1.257 -10.755 1.00 0.00 C ATOM 844 C HIS A 53 -0.851 -1.567 -10.989 1.00 0.00 C ATOM 845 O HIS A 53 -1.441 -1.100 -11.962 1.00 0.00 O ATOM 846 CB HIS A 53 1.329 -0.731 -12.008 1.00 0.00 C ATOM 847 CG HIS A 53 1.062 0.727 -12.297 1.00 0.00 C ATOM 848 ND1 HIS A 53 -0.188 1.203 -12.654 1.00 0.00 N ATOM 849 CD2 HIS A 53 1.895 1.807 -12.278 1.00 0.00 C ATOM 850 CE1 HIS A 53 -0.100 2.511 -12.839 1.00 0.00 C ATOM 851 NE2 HIS A 53 1.192 2.884 -12.607 1.00 0.00 N ATOM 0 H HIS A 53 1.523 -2.408 -9.250 1.00 0.00 H new ATOM 0 HA HIS A 53 0.685 -0.457 -10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.404 -0.878 -11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.011 -1.324 -12.865 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.033 0.641 -12.757 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.947 1.789 -12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.909 3.168 -13.124 1.00 0.00 H new ATOM 859 N GLU A 54 -1.409 -2.355 -10.081 1.00 0.00 N ATOM 860 CA GLU A 54 -2.808 -2.735 -10.177 1.00 0.00 C ATOM 861 C GLU A 54 -3.460 -2.712 -8.793 1.00 0.00 C ATOM 862 O GLU A 54 -2.775 -2.837 -7.778 1.00 0.00 O ATOM 863 CB GLU A 54 -2.960 -4.110 -10.832 1.00 0.00 C ATOM 864 CG GLU A 54 -2.587 -4.053 -12.316 1.00 0.00 C ATOM 865 CD GLU A 54 -3.769 -4.470 -13.194 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.991 -5.696 -13.302 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.423 -3.555 -13.737 1.00 0.00 O ATOM 0 H GLU A 54 -0.917 -2.741 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.319 -2.009 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.324 -4.833 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.988 -4.457 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.274 -3.042 -12.577 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.738 -4.709 -12.507 1.00 0.00 H new ATOM 874 N THR A 55 -4.774 -2.551 -8.795 1.00 0.00 N ATOM 875 CA THR A 55 -5.527 -2.511 -7.554 1.00 0.00 C ATOM 876 C THR A 55 -6.245 -3.841 -7.322 1.00 0.00 C ATOM 877 O THR A 55 -6.744 -4.456 -8.263 1.00 0.00 O ATOM 878 CB THR A 55 -6.474 -1.311 -7.613 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.838 -1.087 -6.254 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.800 -1.646 -8.304 1.00 0.00 C ATOM 0 H THR A 55 -5.338 -2.446 -9.639 1.00 0.00 H new ATOM 0 HA THR A 55 -4.867 -2.380 -6.696 1.00 0.00 H new ATOM 0 HB THR A 55 -5.987 -0.490 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.411 -1.761 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.436 -0.761 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.606 -1.971 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.303 -2.444 -7.759 1.00 0.00 H new ATOM 888 N ALA A 56 -6.274 -4.249 -6.060 1.00 0.00 N ATOM 889 CA ALA A 56 -6.922 -5.495 -5.691 1.00 0.00 C ATOM 890 C ALA A 56 -7.700 -5.296 -4.388 1.00 0.00 C ATOM 891 O ALA A 56 -7.418 -4.368 -3.631 1.00 0.00 O ATOM 892 CB ALA A 56 -5.873 -6.604 -5.581 1.00 0.00 C ATOM 0 H ALA A 56 -5.859 -3.738 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.636 -5.797 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.360 -7.539 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.371 -6.727 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.140 -6.337 -4.820 1.00 0.00 H new ATOM 898 N PHE A 57 -8.661 -6.180 -4.169 1.00 0.00 N ATOM 899 CA PHE A 57 -9.481 -6.113 -2.971 1.00 0.00 C ATOM 900 C PHE A 57 -8.703 -6.601 -1.746 1.00 0.00 C ATOM 901 O PHE A 57 -8.163 -7.706 -1.750 1.00 0.00 O ATOM 902 CB PHE A 57 -10.682 -7.033 -3.198 1.00 0.00 C ATOM 903 CG PHE A 57 -10.422 -8.496 -2.835 1.00 0.00 C ATOM 904 CD1 PHE A 57 -9.609 -9.256 -3.615 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.004 -9.036 -1.730 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.369 -10.616 -3.279 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.763 -10.395 -1.394 1.00 0.00 C ATOM 908 CZ PHE A 57 -9.950 -11.156 -2.175 1.00 0.00 C ATOM 0 H PHE A 57 -8.891 -6.947 -4.801 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.787 -5.083 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.523 -6.667 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.977 -6.976 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.145 -8.826 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.649 -8.432 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.725 -11.220 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.226 -10.824 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.766 -12.189 -1.918 1.00 0.00 H new ATOM 918 N LEU A 58 -8.671 -5.753 -0.729 1.00 0.00 N ATOM 919 CA LEU A 58 -7.969 -6.084 0.498 1.00 0.00 C ATOM 920 C LEU A 58 -8.621 -5.345 1.670 1.00 0.00 C ATOM 921 O LEU A 58 -9.559 -4.574 1.476 1.00 0.00 O ATOM 922 CB LEU A 58 -6.472 -5.804 0.352 1.00 0.00 C ATOM 923 CG LEU A 58 -5.694 -6.771 -0.544 1.00 0.00 C ATOM 924 CD1 LEU A 58 -5.525 -6.197 -1.952 1.00 0.00 C ATOM 925 CD2 LEU A 58 -4.350 -7.143 0.088 1.00 0.00 C ATOM 0 H LEU A 58 -9.120 -4.837 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.052 -7.151 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.348 -4.795 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.021 -5.817 1.344 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.272 -7.691 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.969 -6.903 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.506 -6.023 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.979 -5.255 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.817 -7.831 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.753 -6.242 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.521 -7.621 1.052 1.00 0.00 H new ATOM 937 N GLY A 59 -8.098 -5.606 2.858 1.00 0.00 N ATOM 938 CA GLY A 59 -8.618 -4.976 4.059 1.00 0.00 C ATOM 939 C GLY A 59 -7.482 -4.421 4.923 1.00 0.00 C ATOM 940 O GLY A 59 -6.362 -4.244 4.442 1.00 0.00 O ATOM 0 H GLY A 59 -7.319 -6.246 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.299 -4.170 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.196 -5.700 4.633 1.00 0.00 H new ATOM 944 N PRO A 60 -7.817 -4.155 6.213 1.00 0.00 N ATOM 945 CA PRO A 60 -6.840 -3.624 7.146 1.00 0.00 C ATOM 946 C PRO A 60 -5.859 -4.711 7.590 1.00 0.00 C ATOM 947 O PRO A 60 -4.695 -4.425 7.869 1.00 0.00 O ATOM 948 CB PRO A 60 -7.659 -3.060 8.296 1.00 0.00 C ATOM 949 CG PRO A 60 -9.031 -3.705 8.187 1.00 0.00 C ATOM 950 CD PRO A 60 -9.134 -4.352 6.815 1.00 0.00 C ATOM 0 HA PRO A 60 -6.214 -2.850 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.195 -3.289 9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.731 -1.975 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.166 -4.450 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.815 -2.959 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.379 -5.411 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.917 -3.887 6.216 1.00 0.00 H new ATOM 958 N LYS A 61 -6.364 -5.935 7.641 1.00 0.00 N ATOM 959 CA LYS A 61 -5.545 -7.066 8.045 1.00 0.00 C ATOM 960 C LYS A 61 -4.474 -7.318 6.984 1.00 0.00 C ATOM 961 O LYS A 61 -3.303 -7.505 7.313 1.00 0.00 O ATOM 962 CB LYS A 61 -6.424 -8.284 8.336 1.00 0.00 C ATOM 963 CG LYS A 61 -7.208 -8.706 7.091 1.00 0.00 C ATOM 964 CD LYS A 61 -8.539 -9.354 7.473 1.00 0.00 C ATOM 965 CE LYS A 61 -8.353 -10.839 7.793 1.00 0.00 C ATOM 966 NZ LYS A 61 -8.879 -11.675 6.691 1.00 0.00 N ATOM 0 H LYS A 61 -7.330 -6.168 7.409 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.024 -6.848 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.802 -9.112 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.117 -8.052 9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.391 -7.836 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.614 -9.406 6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.962 -8.842 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.251 -9.241 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.296 -11.054 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.868 -11.085 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.745 -12.680 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.893 -11.481 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.369 -11.452 5.812 1.00 0.00 H new ATOM 980 N ASP A 62 -4.910 -7.317 5.734 1.00 0.00 N ATOM 981 CA ASP A 62 -4.003 -7.545 4.623 1.00 0.00 C ATOM 982 C ASP A 62 -3.023 -6.374 4.523 1.00 0.00 C ATOM 983 O ASP A 62 -2.028 -6.452 3.804 1.00 0.00 O ATOM 984 CB ASP A 62 -4.764 -7.639 3.299 1.00 0.00 C ATOM 985 CG ASP A 62 -5.188 -9.053 2.897 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.277 -9.888 2.711 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.414 -9.267 2.781 1.00 0.00 O ATOM 0 H ASP A 62 -5.882 -7.162 5.465 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.478 -8.483 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.654 -7.013 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.139 -7.224 2.508 1.00 0.00 H new ATOM 992 N LEU A 63 -3.339 -5.315 5.253 1.00 0.00 N ATOM 993 CA LEU A 63 -2.499 -4.129 5.255 1.00 0.00 C ATOM 994 C LEU A 63 -1.782 -4.020 6.602 1.00 0.00 C ATOM 995 O LEU A 63 -2.423 -3.862 7.640 1.00 0.00 O ATOM 996 CB LEU A 63 -3.321 -2.890 4.893 1.00 0.00 C ATOM 997 CG LEU A 63 -3.614 -2.690 3.405 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.266 -1.330 3.153 1.00 0.00 C ATOM 999 CD2 LEU A 63 -2.348 -2.882 2.567 1.00 0.00 C ATOM 0 H LEU A 63 -4.165 -5.253 5.848 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.728 -4.206 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.270 -2.940 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.795 -2.009 5.261 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.327 -3.452 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.464 -1.213 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.204 -1.268 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.596 -0.538 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.583 -2.734 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.594 -2.158 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.963 -3.891 2.715 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.462 -4.109 6.543 1.00 0.00 N ATOM 1012 CA PHE A 64 0.350 -4.022 7.745 1.00 0.00 C ATOM 1013 C PHE A 64 1.106 -2.693 7.801 1.00 0.00 C ATOM 1014 O PHE A 64 1.463 -2.133 6.766 1.00 0.00 O ATOM 1015 CB PHE A 64 1.362 -5.169 7.686 1.00 0.00 C ATOM 1016 CG PHE A 64 1.543 -5.908 9.013 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.513 -6.623 9.539 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.733 -5.848 9.667 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.681 -7.310 10.770 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.902 -6.535 10.899 1.00 0.00 C ATOM 1021 CZ PHE A 64 1.872 -7.251 11.424 1.00 0.00 C ATOM 0 H PHE A 64 0.066 -4.241 5.681 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.285 -4.085 8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.044 -5.882 6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.326 -4.773 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.433 -6.668 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.550 -5.278 9.250 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.137 -7.879 11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.848 -6.489 11.418 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.000 -7.773 12.361 1.00 0.00 H new ATOM 1031 N PRO A 65 1.334 -2.215 9.054 1.00 0.00 N ATOM 1032 CA PRO A 65 2.041 -0.962 9.259 1.00 0.00 C ATOM 1033 C PRO A 65 3.542 -1.134 9.014 1.00 0.00 C ATOM 1034 O PRO A 65 4.043 -2.256 8.967 1.00 0.00 O ATOM 1035 CB PRO A 65 1.715 -0.556 10.686 1.00 0.00 C ATOM 1036 CG PRO A 65 1.222 -1.817 11.377 1.00 0.00 C ATOM 1037 CD PRO A 65 0.927 -2.851 10.303 1.00 0.00 C ATOM 0 HA PRO A 65 1.734 -0.186 8.558 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.595 -0.154 11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.953 0.223 10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.975 -2.191 12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.326 -1.607 11.961 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.482 -3.772 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.131 -3.114 10.287 1.00 0.00 H new ATOM 1045 N TYR A 66 4.217 -0.003 8.864 1.00 0.00 N ATOM 1046 CA TYR A 66 5.650 -0.014 8.625 1.00 0.00 C ATOM 1047 C TYR A 66 6.424 -0.178 9.937 1.00 0.00 C ATOM 1048 O TYR A 66 7.433 -0.879 9.982 1.00 0.00 O ATOM 1049 CB TYR A 66 5.986 1.347 8.015 1.00 0.00 C ATOM 1050 CG TYR A 66 7.462 1.736 8.136 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.351 1.385 7.141 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.903 2.440 9.238 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.739 1.750 7.254 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.290 2.805 9.352 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.140 2.443 8.354 1.00 0.00 C ATOM 1056 OH TYR A 66 11.452 2.789 8.460 1.00 0.00 O ATOM 0 H TYR A 66 3.798 0.926 8.903 1.00 0.00 H new ATOM 0 HA TYR A 66 5.924 -0.843 7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.708 1.340 6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.378 2.111 8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.006 0.836 6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.206 2.717 10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.446 1.480 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.648 3.354 10.210 1.00 0.00 H new ATOM 0 HH TYR A 66 11.594 3.281 9.296 1.00 0.00 H new ATOM 1066 N GLU A 67 5.921 0.483 10.968 1.00 0.00 N ATOM 1067 CA GLU A 67 6.551 0.419 12.277 1.00 0.00 C ATOM 1068 C GLU A 67 6.737 -1.037 12.705 1.00 0.00 C ATOM 1069 O GLU A 67 7.835 -1.440 13.091 1.00 0.00 O ATOM 1070 CB GLU A 67 5.740 1.197 13.314 1.00 0.00 C ATOM 1071 CG GLU A 67 6.013 2.699 13.208 1.00 0.00 C ATOM 1072 CD GLU A 67 4.898 3.405 12.436 1.00 0.00 C ATOM 1073 OE1 GLU A 67 3.725 3.038 12.667 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.243 4.298 11.630 1.00 0.00 O ATOM 0 H GLU A 67 5.085 1.066 10.925 1.00 0.00 H new ATOM 0 HA GLU A 67 7.534 0.885 12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.677 1.006 13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.992 0.848 14.315 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.097 3.128 14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.967 2.864 12.708 1.00 0.00 H new ATOM 1081 N GLU A 68 5.649 -1.789 12.626 1.00 0.00 N ATOM 1082 CA GLU A 68 5.678 -3.192 13.000 1.00 0.00 C ATOM 1083 C GLU A 68 6.524 -3.989 12.007 1.00 0.00 C ATOM 1084 O GLU A 68 7.196 -4.948 12.386 1.00 0.00 O ATOM 1085 CB GLU A 68 4.263 -3.763 13.099 1.00 0.00 C ATOM 1086 CG GLU A 68 3.437 -3.008 14.143 1.00 0.00 C ATOM 1087 CD GLU A 68 2.102 -3.709 14.399 1.00 0.00 C ATOM 1088 OE1 GLU A 68 2.095 -4.958 14.330 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.119 -2.982 14.659 1.00 0.00 O ATOM 0 H GLU A 68 4.740 -1.452 12.308 1.00 0.00 H new ATOM 0 HA GLU A 68 6.137 -3.275 13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.773 -3.699 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.311 -4.819 13.363 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.999 -2.937 15.074 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.257 -1.989 13.801 1.00 0.00 H new ATOM 1096 N SER A 69 6.464 -3.565 10.754 1.00 0.00 N ATOM 1097 CA SER A 69 7.215 -4.229 9.702 1.00 0.00 C ATOM 1098 C SER A 69 8.717 -4.083 9.959 1.00 0.00 C ATOM 1099 O SER A 69 9.448 -5.072 9.966 1.00 0.00 O ATOM 1100 CB SER A 69 6.857 -3.662 8.325 1.00 0.00 C ATOM 1101 OG SER A 69 7.737 -2.611 7.936 1.00 0.00 O ATOM 0 H SER A 69 5.907 -2.769 10.443 1.00 0.00 H new ATOM 0 HA SER A 69 6.951 -5.286 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.895 -4.460 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.833 -3.290 8.341 1.00 0.00 H new ATOM 0 HG SER A 69 7.635 -1.854 8.550 1.00 0.00 H new ATOM 1107 N LYS A 70 9.131 -2.842 10.167 1.00 0.00 N ATOM 1108 CA LYS A 70 10.532 -2.554 10.426 1.00 0.00 C ATOM 1109 C LYS A 70 10.919 -3.113 11.797 1.00 0.00 C ATOM 1110 O LYS A 70 12.102 -3.213 12.119 1.00 0.00 O ATOM 1111 CB LYS A 70 10.809 -1.057 10.272 1.00 0.00 C ATOM 1112 CG LYS A 70 10.807 -0.356 11.632 1.00 0.00 C ATOM 1113 CD LYS A 70 10.300 1.082 11.508 1.00 0.00 C ATOM 1114 CE LYS A 70 10.462 1.836 12.829 1.00 0.00 C ATOM 1115 NZ LYS A 70 9.617 1.227 13.881 1.00 0.00 N ATOM 0 H LYS A 70 8.521 -2.024 10.162 1.00 0.00 H new ATOM 0 HA LYS A 70 11.165 -3.049 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.773 -0.910 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.054 -0.608 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.177 -0.909 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.815 -0.355 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.849 1.598 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.250 1.077 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.507 1.819 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.187 2.882 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.951 1.937 14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.086 0.428 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.220 0.887 14.657 1.00 0.00 H new ATOM 1129 N GLU A 71 9.899 -3.465 12.567 1.00 0.00 N ATOM 1130 CA GLU A 71 10.118 -4.010 13.894 1.00 0.00 C ATOM 1131 C GLU A 71 10.637 -5.446 13.799 1.00 0.00 C ATOM 1132 O GLU A 71 11.573 -5.819 14.506 1.00 0.00 O ATOM 1133 CB GLU A 71 8.839 -3.946 14.732 1.00 0.00 C ATOM 1134 CG GLU A 71 9.143 -3.505 16.165 1.00 0.00 C ATOM 1135 CD GLU A 71 7.901 -3.629 17.051 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.077 -2.691 17.008 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.805 -4.660 17.751 1.00 0.00 O ATOM 0 H GLU A 71 8.919 -3.383 12.296 1.00 0.00 H new ATOM 0 HA GLU A 71 10.872 -3.403 14.394 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.135 -3.250 14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.358 -4.924 14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.949 -4.115 16.574 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.493 -2.473 16.165 1.00 0.00 H new ATOM 1144 N LYS A 72 10.010 -6.212 12.918 1.00 0.00 N ATOM 1145 CA LYS A 72 10.398 -7.598 12.721 1.00 0.00 C ATOM 1146 C LYS A 72 11.138 -7.731 11.389 1.00 0.00 C ATOM 1147 O LYS A 72 12.342 -7.982 11.366 1.00 0.00 O ATOM 1148 CB LYS A 72 9.182 -8.517 12.844 1.00 0.00 C ATOM 1149 CG LYS A 72 7.908 -7.807 12.383 1.00 0.00 C ATOM 1150 CD LYS A 72 6.877 -8.809 11.863 1.00 0.00 C ATOM 1151 CE LYS A 72 7.136 -9.150 10.393 1.00 0.00 C ATOM 1152 NZ LYS A 72 5.905 -9.676 9.759 1.00 0.00 N ATOM 0 H LYS A 72 9.236 -5.899 12.333 1.00 0.00 H new ATOM 0 HA LYS A 72 11.088 -7.916 13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.339 -9.415 12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.069 -8.839 13.879 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.483 -7.241 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.151 -7.090 11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.914 -9.718 12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.875 -8.395 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.475 -8.261 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.934 -9.889 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.097 -9.902 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.599 -10.536 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.154 -8.959 9.812 1.00 0.00 H new ATOM 1166 N PHE A 73 10.388 -7.558 10.311 1.00 0.00 N ATOM 1167 CA PHE A 73 10.957 -7.655 8.978 1.00 0.00 C ATOM 1168 C PHE A 73 10.508 -6.483 8.103 1.00 0.00 C ATOM 1169 O PHE A 73 11.215 -5.483 7.987 1.00 0.00 O ATOM 1170 CB PHE A 73 10.442 -8.959 8.366 1.00 0.00 C ATOM 1171 CG PHE A 73 11.432 -10.122 8.456 1.00 0.00 C ATOM 1172 CD1 PHE A 73 11.494 -10.877 9.586 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.253 -10.400 7.407 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.413 -11.957 9.669 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.173 -11.479 7.491 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.232 -12.234 8.620 1.00 0.00 C ATOM 0 H PHE A 73 9.390 -7.351 10.334 1.00 0.00 H new ATOM 0 HA PHE A 73 12.045 -7.634 9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.517 -9.243 8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.196 -8.785 7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.845 -10.655 10.420 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.205 -9.800 6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.461 -12.558 10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.825 -11.699 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.931 -13.055 8.684 1.00 0.00 H new ATOM 1186 N GLY A 74 9.335 -6.644 7.509 1.00 0.00 N ATOM 1187 CA GLY A 74 8.783 -5.613 6.648 1.00 0.00 C ATOM 1188 C GLY A 74 9.556 -5.528 5.329 1.00 0.00 C ATOM 1189 O GLY A 74 9.292 -4.653 4.507 1.00 0.00 O ATOM 0 H GLY A 74 8.751 -7.474 7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.734 -5.827 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.820 -4.650 7.158 1.00 0.00 H new ATOM 1193 N LYS A 75 10.493 -6.449 5.170 1.00 0.00 N ATOM 1194 CA LYS A 75 11.306 -6.490 3.966 1.00 0.00 C ATOM 1195 C LYS A 75 10.978 -7.759 3.177 1.00 0.00 C ATOM 1196 O LYS A 75 11.532 -8.824 3.449 1.00 0.00 O ATOM 1197 CB LYS A 75 12.789 -6.349 4.315 1.00 0.00 C ATOM 1198 CG LYS A 75 13.009 -5.224 5.329 1.00 0.00 C ATOM 1199 CD LYS A 75 14.315 -5.428 6.100 1.00 0.00 C ATOM 1200 CE LYS A 75 14.689 -4.170 6.887 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.979 -3.625 6.408 1.00 0.00 N ATOM 0 H LYS A 75 10.708 -7.174 5.855 1.00 0.00 H new ATOM 0 HA LYS A 75 11.073 -5.643 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.161 -7.289 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.361 -6.145 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.033 -4.264 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.172 -5.190 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.210 -6.271 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.117 -5.678 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.907 -3.419 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.758 -4.405 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.219 -2.772 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.726 -4.338 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.900 -3.382 5.400 1.00 0.00 H new ATOM 1215 N PRO A 76 10.055 -7.602 2.190 1.00 0.00 N ATOM 1216 CA PRO A 76 9.647 -8.721 1.361 1.00 0.00 C ATOM 1217 C PRO A 76 10.732 -9.070 0.338 1.00 0.00 C ATOM 1218 O PRO A 76 11.740 -8.375 0.237 1.00 0.00 O ATOM 1219 CB PRO A 76 8.344 -8.279 0.716 1.00 0.00 C ATOM 1220 CG PRO A 76 8.309 -6.765 0.842 1.00 0.00 C ATOM 1221 CD PRO A 76 9.379 -6.356 1.840 1.00 0.00 C ATOM 0 HA PRO A 76 9.502 -9.637 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.302 -8.585 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.488 -8.732 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.491 -6.297 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.327 -6.432 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.073 -5.638 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.941 -5.883 2.719 1.00 0.00 H new ATOM 1229 N ASN A 77 10.487 -10.148 -0.393 1.00 0.00 N ATOM 1230 CA ASN A 77 11.430 -10.597 -1.403 1.00 0.00 C ATOM 1231 C ASN A 77 11.820 -9.414 -2.291 1.00 0.00 C ATOM 1232 O ASN A 77 10.969 -8.820 -2.949 1.00 0.00 O ATOM 1233 CB ASN A 77 10.808 -11.674 -2.296 1.00 0.00 C ATOM 1234 CG ASN A 77 10.401 -12.898 -1.476 1.00 0.00 C ATOM 1235 OD1 ASN A 77 11.140 -13.859 -1.337 1.00 0.00 O ATOM 1236 ND2 ASN A 77 9.187 -12.812 -0.940 1.00 0.00 N ATOM 0 H ASN A 77 9.649 -10.723 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 77 12.301 -11.009 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.935 -11.268 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.520 -11.969 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.824 -13.579 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.619 -11.979 -1.095 1.00 0.00 H new ATOM 1243 N LYS A 78 13.109 -9.109 -2.280 1.00 0.00 N ATOM 1244 CA LYS A 78 13.625 -8.008 -3.076 1.00 0.00 C ATOM 1245 C LYS A 78 13.594 -8.396 -4.556 1.00 0.00 C ATOM 1246 O LYS A 78 14.631 -8.703 -5.142 1.00 0.00 O ATOM 1247 CB LYS A 78 15.009 -7.589 -2.579 1.00 0.00 C ATOM 1248 CG LYS A 78 15.588 -6.470 -3.449 1.00 0.00 C ATOM 1249 CD LYS A 78 15.277 -5.096 -2.855 1.00 0.00 C ATOM 1250 CE LYS A 78 16.486 -4.164 -2.964 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.719 -3.463 -1.682 1.00 0.00 N ATOM 0 H LYS A 78 13.812 -9.605 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 78 12.992 -7.128 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.941 -7.252 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.679 -8.448 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.667 -6.596 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.175 -6.537 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.426 -4.656 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.990 -5.205 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.371 -4.738 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.321 -3.436 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.543 -2.835 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.880 -2.899 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.898 -4.161 -0.932 1.00 0.00 H new ATOM 1265 N ARG A 79 12.394 -8.371 -5.117 1.00 0.00 N ATOM 1266 CA ARG A 79 12.215 -8.716 -6.517 1.00 0.00 C ATOM 1267 C ARG A 79 12.356 -7.470 -7.394 1.00 0.00 C ATOM 1268 O ARG A 79 12.683 -6.393 -6.899 1.00 0.00 O ATOM 1269 CB ARG A 79 10.843 -9.347 -6.757 1.00 0.00 C ATOM 1270 CG ARG A 79 10.804 -10.788 -6.243 1.00 0.00 C ATOM 1271 CD ARG A 79 11.242 -11.770 -7.331 1.00 0.00 C ATOM 1272 NE ARG A 79 11.683 -13.042 -6.718 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.147 -14.091 -7.411 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.230 -14.026 -8.747 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.524 -15.205 -6.770 1.00 0.00 N ATOM 0 H ARG A 79 11.536 -8.117 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 79 12.987 -9.439 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.075 -8.758 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.613 -9.331 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.456 -10.886 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.795 -11.033 -5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.417 -11.955 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.054 -11.338 -7.916 1.00 0.00 H new ATOM 0 HE ARG A 79 11.631 -13.126 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.940 -13.179 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.583 -14.824 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.458 -15.256 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.877 -16.003 -7.298 1.00 0.00 H new ATOM 1289 N LYS A 80 12.103 -7.659 -8.680 1.00 0.00 N ATOM 1290 CA LYS A 80 12.197 -6.564 -9.631 1.00 0.00 C ATOM 1291 C LYS A 80 11.122 -5.522 -9.311 1.00 0.00 C ATOM 1292 O LYS A 80 11.436 -4.406 -8.900 1.00 0.00 O ATOM 1293 CB LYS A 80 12.134 -7.093 -11.065 1.00 0.00 C ATOM 1294 CG LYS A 80 12.710 -6.072 -12.051 1.00 0.00 C ATOM 1295 CD LYS A 80 13.104 -6.745 -13.366 1.00 0.00 C ATOM 1296 CE LYS A 80 11.930 -6.760 -14.348 1.00 0.00 C ATOM 1297 NZ LYS A 80 12.352 -6.245 -15.670 1.00 0.00 N ATOM 0 H LYS A 80 11.833 -8.555 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 80 13.162 -6.064 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.690 -8.028 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.100 -7.316 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.974 -5.291 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.581 -5.587 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.948 -6.217 -13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.433 -7.766 -13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.548 -7.776 -14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.114 -6.151 -13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.543 -6.262 -16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.695 -5.268 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.115 -6.842 -16.048 1.00 0.00 H new ATOM 1311 N GLY A 81 9.875 -5.925 -9.511 1.00 0.00 N ATOM 1312 CA GLY A 81 8.752 -5.041 -9.250 1.00 0.00 C ATOM 1313 C GLY A 81 8.727 -4.607 -7.782 1.00 0.00 C ATOM 1314 O GLY A 81 8.007 -3.677 -7.419 1.00 0.00 O ATOM 0 H GLY A 81 9.618 -6.852 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.819 -4.163 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.820 -5.548 -9.499 1.00 0.00 H new ATOM 1318 N PHE A 82 9.520 -5.301 -6.979 1.00 0.00 N ATOM 1319 CA PHE A 82 9.598 -4.998 -5.561 1.00 0.00 C ATOM 1320 C PHE A 82 10.429 -3.736 -5.313 1.00 0.00 C ATOM 1321 O PHE A 82 10.112 -2.945 -4.426 1.00 0.00 O ATOM 1322 CB PHE A 82 10.286 -6.186 -4.887 1.00 0.00 C ATOM 1323 CG PHE A 82 10.841 -5.877 -3.495 1.00 0.00 C ATOM 1324 CD1 PHE A 82 11.861 -4.989 -3.352 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.316 -6.491 -2.401 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.376 -4.702 -2.061 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.831 -6.203 -1.110 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.851 -5.315 -0.965 1.00 0.00 C ATOM 0 H PHE A 82 10.114 -6.072 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 82 8.598 -4.826 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.574 -7.008 -4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.101 -6.530 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.279 -4.502 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.507 -7.198 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.186 -3.996 -1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.412 -6.690 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.243 -5.097 0.017 1.00 0.00 H new ATOM 1338 N SER A 83 11.474 -3.588 -6.113 1.00 0.00 N ATOM 1339 CA SER A 83 12.351 -2.436 -5.993 1.00 0.00 C ATOM 1340 C SER A 83 11.666 -1.194 -6.565 1.00 0.00 C ATOM 1341 O SER A 83 11.496 -0.196 -5.867 1.00 0.00 O ATOM 1342 CB SER A 83 13.684 -2.682 -6.702 1.00 0.00 C ATOM 1343 OG SER A 83 14.572 -1.576 -6.569 1.00 0.00 O ATOM 0 H SER A 83 11.733 -4.247 -6.847 1.00 0.00 H new ATOM 0 HA SER A 83 12.558 -2.273 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.154 -3.575 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.502 -2.876 -7.759 1.00 0.00 H new ATOM 0 HG SER A 83 15.412 -1.773 -7.034 1.00 0.00 H new ATOM 1349 N GLU A 84 11.290 -1.296 -7.832 1.00 0.00 N ATOM 1350 CA GLU A 84 10.628 -0.193 -8.507 1.00 0.00 C ATOM 1351 C GLU A 84 9.351 0.197 -7.759 1.00 0.00 C ATOM 1352 O GLU A 84 9.005 1.375 -7.688 1.00 0.00 O ATOM 1353 CB GLU A 84 10.323 -0.546 -9.965 1.00 0.00 C ATOM 1354 CG GLU A 84 8.943 -1.194 -10.094 1.00 0.00 C ATOM 1355 CD GLU A 84 8.681 -1.642 -11.534 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.422 -2.537 -11.993 1.00 0.00 O ATOM 1357 OE2 GLU A 84 7.745 -1.078 -12.143 1.00 0.00 O ATOM 0 H GLU A 84 11.431 -2.126 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 84 11.302 0.664 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.365 0.355 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.085 -1.226 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.876 -2.051 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.174 -0.486 -9.784 1.00 0.00 H new ATOM 1364 N GLY A 85 8.687 -0.813 -7.219 1.00 0.00 N ATOM 1365 CA GLY A 85 7.457 -0.591 -6.479 1.00 0.00 C ATOM 1366 C GLY A 85 7.729 0.167 -5.178 1.00 0.00 C ATOM 1367 O GLY A 85 7.103 1.191 -4.909 1.00 0.00 O ATOM 0 H GLY A 85 8.978 -1.789 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.756 -0.026 -7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.986 -1.548 -6.255 1.00 0.00 H new ATOM 1371 N LEU A 86 8.663 -0.365 -4.404 1.00 0.00 N ATOM 1372 CA LEU A 86 9.027 0.247 -3.139 1.00 0.00 C ATOM 1373 C LEU A 86 9.568 1.656 -3.396 1.00 0.00 C ATOM 1374 O LEU A 86 9.435 2.539 -2.550 1.00 0.00 O ATOM 1375 CB LEU A 86 9.994 -0.651 -2.366 1.00 0.00 C ATOM 1376 CG LEU A 86 10.869 0.047 -1.322 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.098 0.683 -1.974 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.057 1.062 -0.516 1.00 0.00 C ATOM 0 H LEU A 86 9.179 -1.215 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 86 8.149 0.353 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.416 -1.428 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.646 -1.150 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 86 11.230 -0.705 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.703 1.172 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.690 -0.089 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.779 1.420 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.703 1.543 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.647 1.816 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.242 0.551 -0.003 1.00 0.00 H new ATOM 1390 N TRP A 87 10.165 1.821 -4.566 1.00 0.00 N ATOM 1391 CA TRP A 87 10.727 3.106 -4.945 1.00 0.00 C ATOM 1392 C TRP A 87 9.614 3.937 -5.587 1.00 0.00 C ATOM 1393 O TRP A 87 9.692 5.164 -5.622 1.00 0.00 O ATOM 1394 CB TRP A 87 11.942 2.927 -5.858 1.00 0.00 C ATOM 1395 CG TRP A 87 13.215 3.596 -5.338 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.648 4.843 -5.575 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.209 3.002 -4.478 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.843 5.093 -4.932 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.196 3.938 -4.245 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.273 1.714 -3.915 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.317 3.686 -3.445 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.401 1.479 -3.119 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.403 2.411 -2.874 1.00 0.00 C ATOM 0 H TRP A 87 10.272 1.086 -5.265 1.00 0.00 H new ATOM 0 HA TRP A 87 11.098 3.638 -4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.131 1.862 -5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.707 3.332 -6.842 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.127 5.561 -6.191 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.370 5.966 -4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.512 0.966 -4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.076 4.436 -3.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.499 0.505 -2.663 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.243 2.153 -2.247 1.00 0.00 H new ATOM 1414 N GLU A 88 8.603 3.236 -6.079 1.00 0.00 N ATOM 1415 CA GLU A 88 7.477 3.893 -6.717 1.00 0.00 C ATOM 1416 C GLU A 88 6.668 4.682 -5.687 1.00 0.00 C ATOM 1417 O GLU A 88 6.030 5.678 -6.023 1.00 0.00 O ATOM 1418 CB GLU A 88 6.593 2.880 -7.449 1.00 0.00 C ATOM 1419 CG GLU A 88 7.072 2.669 -8.885 1.00 0.00 C ATOM 1420 CD GLU A 88 6.106 3.304 -9.886 1.00 0.00 C ATOM 1421 OE1 GLU A 88 6.211 4.535 -10.074 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.282 2.543 -10.439 1.00 0.00 O ATOM 0 H GLU A 88 8.541 2.218 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 88 7.863 4.592 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.605 1.930 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.561 3.230 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.065 3.102 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.162 1.602 -9.089 1.00 0.00 H new ATOM 1429 N ILE A 89 6.723 4.207 -4.450 1.00 0.00 N ATOM 1430 CA ILE A 89 6.003 4.858 -3.367 1.00 0.00 C ATOM 1431 C ILE A 89 6.949 5.809 -2.632 1.00 0.00 C ATOM 1432 O ILE A 89 6.573 6.934 -2.307 1.00 0.00 O ATOM 1433 CB ILE A 89 5.350 3.815 -2.458 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.975 4.425 -1.105 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.243 2.584 -2.304 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.213 4.607 -0.225 1.00 0.00 C ATOM 0 H ILE A 89 7.254 3.381 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 89 5.185 5.462 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 89 4.425 3.483 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.488 5.388 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.256 3.782 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.754 1.859 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.415 2.135 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.197 2.879 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.920 5.042 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.683 3.639 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.920 5.270 -0.724 1.00 0.00 H new ATOM 1448 N GLU A 90 8.157 5.323 -2.391 1.00 0.00 N ATOM 1449 CA GLU A 90 9.160 6.115 -1.699 1.00 0.00 C ATOM 1450 C GLU A 90 9.652 7.249 -2.600 1.00 0.00 C ATOM 1451 O GLU A 90 9.934 8.349 -2.123 1.00 0.00 O ATOM 1452 CB GLU A 90 10.325 5.241 -1.231 1.00 0.00 C ATOM 1453 CG GLU A 90 10.053 4.664 0.160 1.00 0.00 C ATOM 1454 CD GLU A 90 10.229 5.733 1.240 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.399 6.095 1.495 1.00 0.00 O ATOM 1456 OE2 GLU A 90 9.191 6.165 1.786 1.00 0.00 O ATOM 0 H GLU A 90 8.465 4.389 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 90 8.701 6.553 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.483 4.429 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.242 5.831 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.040 4.264 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.731 3.833 0.352 1.00 0.00 H new ATOM 1463 N ASN A 91 9.744 6.944 -3.886 1.00 0.00 N ATOM 1464 CA ASN A 91 10.198 7.924 -4.858 1.00 0.00 C ATOM 1465 C ASN A 91 9.261 7.908 -6.067 1.00 0.00 C ATOM 1466 O ASN A 91 9.629 7.422 -7.136 1.00 0.00 O ATOM 1467 CB ASN A 91 11.610 7.599 -5.349 1.00 0.00 C ATOM 1468 CG ASN A 91 12.501 7.141 -4.192 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.472 7.784 -3.829 1.00 0.00 O ATOM 1470 ND2 ASN A 91 12.117 5.996 -3.635 1.00 0.00 N ATOM 0 H ASN A 91 9.512 6.031 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 91 10.200 8.902 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.564 6.818 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.046 8.479 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.646 5.606 -2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.294 5.508 -3.988 1.00 0.00 H new ATOM 1477 N ASN A 92 8.069 8.447 -5.860 1.00 0.00 N ATOM 1478 CA ASN A 92 7.077 8.501 -6.921 1.00 0.00 C ATOM 1479 C ASN A 92 7.415 9.651 -7.871 1.00 0.00 C ATOM 1480 O ASN A 92 7.976 10.662 -7.453 1.00 0.00 O ATOM 1481 CB ASN A 92 5.677 8.750 -6.354 1.00 0.00 C ATOM 1482 CG ASN A 92 5.683 9.931 -5.381 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.720 10.442 -4.990 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.470 10.335 -5.014 1.00 0.00 N ATOM 0 H ASN A 92 7.767 8.850 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 92 7.089 7.544 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.981 8.949 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.323 7.855 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.367 11.117 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.643 9.863 -5.379 1.00 0.00 H new ATOM 1491 N PRO A 93 7.049 9.453 -9.166 1.00 0.00 N ATOM 1492 CA PRO A 93 7.307 10.462 -10.179 1.00 0.00 C ATOM 1493 C PRO A 93 6.333 11.635 -10.047 1.00 0.00 C ATOM 1494 O PRO A 93 6.668 12.767 -10.392 1.00 0.00 O ATOM 1495 CB PRO A 93 7.179 9.730 -11.505 1.00 0.00 C ATOM 1496 CG PRO A 93 6.402 8.459 -11.206 1.00 0.00 C ATOM 1497 CD PRO A 93 6.382 8.269 -9.698 1.00 0.00 C ATOM 0 HA PRO A 93 8.295 10.912 -10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.658 10.343 -12.241 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.160 9.499 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.386 8.532 -11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.869 7.603 -11.693 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.362 8.187 -9.323 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.903 7.357 -9.407 1.00 0.00 H new ATOM 1505 N THR A 94 5.146 11.323 -9.546 1.00 0.00 N ATOM 1506 CA THR A 94 4.122 12.336 -9.363 1.00 0.00 C ATOM 1507 C THR A 94 3.741 12.450 -7.886 1.00 0.00 C ATOM 1508 O THR A 94 2.840 11.755 -7.418 1.00 0.00 O ATOM 1509 CB THR A 94 2.941 11.983 -10.269 1.00 0.00 C ATOM 1510 OG1 THR A 94 3.519 11.878 -11.568 1.00 0.00 O ATOM 1511 CG2 THR A 94 1.938 13.131 -10.400 1.00 0.00 C ATOM 0 H THR A 94 4.872 10.383 -9.261 1.00 0.00 H new ATOM 0 HA THR A 94 4.487 13.323 -9.649 1.00 0.00 H new ATOM 0 HB THR A 94 2.434 11.102 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.823 11.650 -12.218 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.120 12.827 -11.054 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.542 13.382 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.436 14.003 -10.824 1.00 0.00 H new ATOM 1519 N VAL A 95 4.446 13.330 -7.191 1.00 0.00 N ATOM 1520 CA VAL A 95 4.193 13.544 -5.777 1.00 0.00 C ATOM 1521 C VAL A 95 3.340 14.801 -5.601 1.00 0.00 C ATOM 1522 O VAL A 95 2.870 15.380 -6.578 1.00 0.00 O ATOM 1523 CB VAL A 95 5.517 13.608 -5.014 1.00 0.00 C ATOM 1524 CG1 VAL A 95 6.103 15.021 -5.047 1.00 0.00 C ATOM 1525 CG2 VAL A 95 5.343 13.121 -3.573 1.00 0.00 C ATOM 0 H VAL A 95 5.193 13.904 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 95 3.631 12.709 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 95 6.222 12.942 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.044 15.038 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.282 15.317 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.401 15.717 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.299 13.177 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.614 13.750 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.992 12.089 -3.578 1.00 0.00 H new ATOM 1535 N LYS A 96 3.165 15.187 -4.345 1.00 0.00 N ATOM 1536 CA LYS A 96 2.376 16.366 -4.027 1.00 0.00 C ATOM 1537 C LYS A 96 2.446 16.630 -2.521 1.00 0.00 C ATOM 1538 O LYS A 96 2.590 17.774 -2.094 1.00 0.00 O ATOM 1539 CB LYS A 96 0.950 16.215 -4.559 1.00 0.00 C ATOM 1540 CG LYS A 96 0.359 14.858 -4.170 1.00 0.00 C ATOM 1541 CD LYS A 96 -0.837 15.030 -3.233 1.00 0.00 C ATOM 1542 CE LYS A 96 -1.153 13.723 -2.503 1.00 0.00 C ATOM 1543 NZ LYS A 96 -2.178 13.946 -1.459 1.00 0.00 N ATOM 0 H LYS A 96 3.556 14.704 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 96 2.786 17.245 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.324 17.015 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.950 16.318 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.049 14.322 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.122 14.251 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.625 15.814 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.708 15.352 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.508 12.978 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.245 13.324 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.380 13.049 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.826 14.641 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.049 14.306 -1.899 1.00 0.00 H new ATOM 1557 N ALA A 97 2.343 15.552 -1.758 1.00 0.00 N ATOM 1558 CA ALA A 97 2.393 15.653 -0.309 1.00 0.00 C ATOM 1559 C ALA A 97 3.853 15.737 0.142 1.00 0.00 C ATOM 1560 O ALA A 97 4.445 14.731 0.529 1.00 0.00 O ATOM 1561 CB ALA A 97 1.658 14.463 0.311 1.00 0.00 C ATOM 0 H ALA A 97 2.225 14.604 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 97 1.891 16.559 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.695 14.538 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.619 14.466 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.136 13.536 -0.005 1.00 0.00 H new ATOM 1567 N SER A 98 4.389 16.947 0.077 1.00 0.00 N ATOM 1568 CA SER A 98 5.768 17.176 0.474 1.00 0.00 C ATOM 1569 C SER A 98 6.029 16.545 1.843 1.00 0.00 C ATOM 1570 O SER A 98 5.155 16.544 2.707 1.00 0.00 O ATOM 1571 CB SER A 98 6.091 18.671 0.509 1.00 0.00 C ATOM 1572 OG SER A 98 5.629 19.343 -0.660 1.00 0.00 O ATOM 0 H SER A 98 3.894 17.779 -0.244 1.00 0.00 H new ATOM 0 HA SER A 98 6.419 16.709 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.634 19.120 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.168 18.807 0.604 1.00 0.00 H new ATOM 0 HG SER A 98 5.852 20.295 -0.600 1.00 0.00 H new ATOM 1578 N GLY A 99 7.237 16.024 1.999 1.00 0.00 N ATOM 1579 CA GLY A 99 7.626 15.393 3.249 1.00 0.00 C ATOM 1580 C GLY A 99 8.937 14.622 3.090 1.00 0.00 C ATOM 1581 O GLY A 99 8.936 13.464 2.672 1.00 0.00 O ATOM 0 H GLY A 99 7.960 16.026 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.738 16.151 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.839 14.715 3.578 1.00 0.00 H new ATOM 1585 N TYR A 100 10.026 15.294 3.430 1.00 0.00 N ATOM 1586 CA TYR A 100 11.344 14.687 3.330 1.00 0.00 C ATOM 1587 C TYR A 100 12.229 15.103 4.507 1.00 0.00 C ATOM 1588 O TYR A 100 11.818 15.008 5.662 1.00 0.00 O ATOM 1589 CB TYR A 100 11.956 15.220 2.033 1.00 0.00 C ATOM 1590 CG TYR A 100 13.281 15.961 2.229 1.00 0.00 C ATOM 1591 CD1 TYR A 100 14.355 15.313 2.805 1.00 0.00 C ATOM 1592 CD2 TYR A 100 13.402 17.276 1.829 1.00 0.00 C ATOM 1593 CE1 TYR A 100 15.602 16.009 2.990 1.00 0.00 C ATOM 1594 CE2 TYR A 100 14.649 17.972 2.015 1.00 0.00 C ATOM 1595 CZ TYR A 100 15.687 17.305 2.584 1.00 0.00 C ATOM 1596 OH TYR A 100 16.864 17.963 2.759 1.00 0.00 O ATOM 0 H TYR A 100 10.024 16.254 3.775 1.00 0.00 H new ATOM 0 HA TYR A 100 11.268 13.600 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 100 12.115 14.386 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 100 11.243 15.892 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 100 14.260 14.283 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 100 12.562 17.783 1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.450 15.514 3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 100 14.757 19.002 1.709 1.00 0.00 H new ATOM 0 HH TYR A 100 16.780 18.879 2.422 1.00 0.00 H new TER 1606 TYR A 100