USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 842 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 29 LYS NZ :NH3+ 163:sc= -0.146 (180deg=-0.625) USER MOD Set 1.2: A 74 CYS SG : rot -24:sc= -0.184 USER MOD Single : A 1 SER N :NH3+ 163:sc= 1.14 (180deg=0.955) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 44:sc= 0.74 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -131:sc= -4.49! (180deg=-9.44!) USER MOD Single : A 11 SER OG : rot -85:sc= 1.27 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.209 (180deg=-0.302) USER MOD Single : A 17 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.5) USER MOD Single : A 19 SER OG : rot 73:sc= 0.859 USER MOD Single : A 23 ASN : amide:sc= -2.75! C(o=-2.8!,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ -98:sc= 0.0105 (180deg=-2.34!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.5!) USER MOD Single : A 39 SER OG : rot -80:sc= 1.02 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.104 (180deg=-0.5) USER MOD Single : A 46 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.97! C(o=-4!,f=-9.4!) USER MOD Single : A 58 THR OG1 : rot -28:sc= -0.792! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.0816 (180deg=0.0816) USER MOD Single : A 62 SER OG : rot -109:sc= -0.79 USER MOD Single : A 63 THR OG1 : rot 161:sc= 0.333 USER MOD Single : A 70 TYR OH : rot -16:sc= 0.992 USER MOD Single : A 72 THR OG1 : rot 147:sc= 1.24 USER MOD Single : A 73 SER OG : rot -58:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0218 (180deg=-0.265) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0184 (180deg=-0.163) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.87! C(o=-1.9!,f=-6.9!) USER MOD Single : B 201 LYS NZ :NH3+ -170:sc= -0.0117 (180deg=-0.169) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.103 USER MOD Single : B 208 LYS NZ :NH3+ 142:sc= -1.01 (180deg=-2.59!) USER MOD Single : B 210 LYS NZ :NH3+ -166:sc= -0.0402 (180deg=-0.26) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 213 ASN : amide:sc=-0.00264 K(o=-0.0026,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.520 4.610 7.900 1.00 0.00 N ATOM 2 CA SER A 1 -21.936 3.676 6.909 1.00 0.00 C ATOM 3 C SER A 1 -21.853 4.329 5.530 1.00 0.00 C ATOM 4 O SER A 1 -21.611 3.660 4.526 1.00 0.00 O ATOM 5 CB SER A 1 -22.792 2.406 6.839 1.00 0.00 C ATOM 6 OG SER A 1 -22.859 1.768 8.105 1.00 0.00 O ATOM 0 H1 SER A 1 -22.833 4.077 8.737 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.804 5.309 8.182 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.334 5.100 7.477 1.00 0.00 H new ATOM 0 HA SER A 1 -20.925 3.418 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 1 -23.797 2.659 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.372 1.720 6.104 1.00 0.00 H new ATOM 0 HG SER A 1 -23.412 0.962 8.036 1.00 0.00 H new ATOM 14 N GLU A 2 -22.028 5.645 5.492 1.00 0.00 N ATOM 15 CA GLU A 2 -22.107 6.375 4.233 1.00 0.00 C ATOM 16 C GLU A 2 -20.720 6.687 3.669 1.00 0.00 C ATOM 17 O GLU A 2 -20.597 7.200 2.556 1.00 0.00 O ATOM 18 CB GLU A 2 -22.904 7.671 4.420 1.00 0.00 C ATOM 19 CG GLU A 2 -24.356 7.458 4.838 1.00 0.00 C ATOM 20 CD GLU A 2 -24.503 7.066 6.296 1.00 0.00 C ATOM 21 OE1 GLU A 2 -24.577 5.855 6.591 1.00 0.00 O ATOM 22 OE2 GLU A 2 -24.530 7.965 7.156 1.00 0.00 O ATOM 0 H GLU A 2 -22.118 6.230 6.323 1.00 0.00 H new ATOM 0 HA GLU A 2 -22.621 5.736 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.407 8.284 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.885 8.234 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.919 8.374 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.798 6.682 4.213 1.00 0.00 H new ATOM 29 N GLU A 3 -19.680 6.375 4.431 1.00 0.00 N ATOM 30 CA GLU A 3 -18.315 6.618 3.987 1.00 0.00 C ATOM 31 C GLU A 3 -17.939 5.650 2.868 1.00 0.00 C ATOM 32 O GLU A 3 -17.445 6.065 1.821 1.00 0.00 O ATOM 33 CB GLU A 3 -17.333 6.470 5.163 1.00 0.00 C ATOM 34 CG GLU A 3 -15.889 6.812 4.815 1.00 0.00 C ATOM 35 CD GLU A 3 -15.710 8.247 4.361 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.608 8.483 3.141 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.658 9.148 5.224 1.00 0.00 O ATOM 0 H GLU A 3 -19.756 5.954 5.357 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.254 7.637 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.661 7.114 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.374 5.444 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.259 6.632 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.543 6.142 4.028 1.00 0.00 H new ATOM 44 N GLU A 4 -18.210 4.364 3.077 1.00 0.00 N ATOM 45 CA GLU A 4 -17.755 3.331 2.151 1.00 0.00 C ATOM 46 C GLU A 4 -18.444 3.438 0.791 1.00 0.00 C ATOM 47 O GLU A 4 -17.836 3.143 -0.237 1.00 0.00 O ATOM 48 CB GLU A 4 -17.964 1.931 2.739 1.00 0.00 C ATOM 49 CG GLU A 4 -19.419 1.555 2.952 1.00 0.00 C ATOM 50 CD GLU A 4 -19.586 0.112 3.373 1.00 0.00 C ATOM 51 OE1 GLU A 4 -19.913 -0.134 4.551 1.00 0.00 O ATOM 52 OE2 GLU A 4 -19.390 -0.788 2.527 1.00 0.00 O ATOM 0 H GLU A 4 -18.740 4.014 3.875 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.688 3.492 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.505 1.198 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.441 1.868 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.852 2.205 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.975 1.728 2.031 1.00 0.00 H new ATOM 59 N ASP A 5 -19.700 3.873 0.774 1.00 0.00 N ATOM 60 CA ASP A 5 -20.440 3.972 -0.482 1.00 0.00 C ATOM 61 C ASP A 5 -20.066 5.245 -1.222 1.00 0.00 C ATOM 62 O ASP A 5 -20.326 5.381 -2.419 1.00 0.00 O ATOM 63 CB ASP A 5 -21.954 3.920 -0.253 1.00 0.00 C ATOM 64 CG ASP A 5 -22.534 5.205 0.301 1.00 0.00 C ATOM 65 OD1 ASP A 5 -22.873 6.105 -0.494 1.00 0.00 O ATOM 66 OD2 ASP A 5 -22.686 5.311 1.530 1.00 0.00 O ATOM 0 H ASP A 5 -20.222 4.159 1.602 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.165 3.112 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.447 3.687 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.180 3.105 0.434 1.00 0.00 H new ATOM 71 N LYS A 6 -19.453 6.177 -0.506 1.00 0.00 N ATOM 72 CA LYS A 6 -18.992 7.408 -1.116 1.00 0.00 C ATOM 73 C LYS A 6 -17.565 7.225 -1.638 1.00 0.00 C ATOM 74 O LYS A 6 -17.067 8.027 -2.431 1.00 0.00 O ATOM 75 CB LYS A 6 -19.057 8.558 -0.101 1.00 0.00 C ATOM 76 CG LYS A 6 -18.728 9.936 -0.695 1.00 0.00 C ATOM 77 CD LYS A 6 -19.642 10.288 -1.861 1.00 0.00 C ATOM 78 CE LYS A 6 -21.075 10.520 -1.405 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.946 10.983 -2.516 1.00 0.00 N ATOM 0 H LYS A 6 -19.266 6.101 0.494 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.640 7.657 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.057 8.590 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.363 8.350 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.821 10.696 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.691 9.948 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.269 11.184 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.620 9.483 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.477 9.596 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.085 11.260 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.913 11.129 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.578 11.878 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.958 10.266 -3.270 1.00 0.00 H new ATOM 93 N CYS A 7 -16.927 6.145 -1.205 1.00 0.00 N ATOM 94 CA CYS A 7 -15.554 5.854 -1.588 1.00 0.00 C ATOM 95 C CYS A 7 -15.474 5.433 -3.050 1.00 0.00 C ATOM 96 O CYS A 7 -16.194 4.535 -3.490 1.00 0.00 O ATOM 97 CB CYS A 7 -14.987 4.746 -0.699 1.00 0.00 C ATOM 98 SG CYS A 7 -14.771 5.216 1.033 1.00 0.00 S ATOM 0 H CYS A 7 -17.344 5.452 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 7 -14.964 6.761 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.650 3.882 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.024 4.432 -1.101 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.817 5.874 1.438 1.00 0.00 H new ATOM 104 N LYS A 8 -14.596 6.082 -3.797 1.00 0.00 N ATOM 105 CA LYS A 8 -14.395 5.755 -5.188 1.00 0.00 C ATOM 106 C LYS A 8 -13.298 4.705 -5.327 1.00 0.00 C ATOM 107 O LYS A 8 -12.312 4.718 -4.588 1.00 0.00 O ATOM 108 CB LYS A 8 -14.047 7.025 -5.970 1.00 0.00 C ATOM 109 CG LYS A 8 -13.217 6.785 -7.215 1.00 0.00 C ATOM 110 CD LYS A 8 -13.130 8.025 -8.084 1.00 0.00 C ATOM 111 CE LYS A 8 -12.289 7.771 -9.324 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.193 8.974 -10.191 1.00 0.00 N ATOM 0 H LYS A 8 -14.010 6.843 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.314 5.337 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.972 7.526 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.506 7.705 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.213 6.472 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.653 5.968 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.132 8.336 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.698 8.845 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.288 7.460 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.722 6.948 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.611 8.756 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.145 9.257 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.756 9.752 -9.658 1.00 0.00 H new ATOM 126 N PRO A 9 -13.474 3.775 -6.270 1.00 0.00 N ATOM 127 CA PRO A 9 -12.486 2.734 -6.555 1.00 0.00 C ATOM 128 C PRO A 9 -11.169 3.332 -7.023 1.00 0.00 C ATOM 129 O PRO A 9 -11.148 4.300 -7.787 1.00 0.00 O ATOM 130 CB PRO A 9 -13.133 1.906 -7.671 1.00 0.00 C ATOM 131 CG PRO A 9 -14.174 2.797 -8.264 1.00 0.00 C ATOM 132 CD PRO A 9 -14.649 3.683 -7.147 1.00 0.00 C ATOM 0 HA PRO A 9 -12.244 2.142 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.397 1.608 -8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.575 0.991 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.761 3.388 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.998 2.214 -8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.956 4.663 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.506 3.253 -6.629 1.00 0.00 H new ATOM 140 N MET A 10 -10.076 2.779 -6.534 1.00 0.00 N ATOM 141 CA MET A 10 -8.761 3.245 -6.910 1.00 0.00 C ATOM 142 C MET A 10 -8.420 2.739 -8.307 1.00 0.00 C ATOM 143 O MET A 10 -8.310 1.534 -8.526 1.00 0.00 O ATOM 144 CB MET A 10 -7.710 2.793 -5.901 1.00 0.00 C ATOM 145 CG MET A 10 -6.382 3.496 -6.096 1.00 0.00 C ATOM 146 SD MET A 10 -6.408 5.218 -5.564 1.00 0.00 S ATOM 147 CE MET A 10 -5.846 5.094 -3.873 1.00 0.00 C ATOM 0 H MET A 10 -10.076 2.003 -5.872 1.00 0.00 H new ATOM 0 HA MET A 10 -8.764 4.335 -6.916 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.074 2.983 -4.891 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.565 1.716 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.610 2.962 -5.541 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.106 3.452 -7.149 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.520 5.653 -3.224 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.834 4.047 -3.569 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.840 5.506 -3.793 1.00 0.00 H new ATOM 157 N SER A 11 -8.275 3.664 -9.245 1.00 0.00 N ATOM 158 CA SER A 11 -8.050 3.311 -10.643 1.00 0.00 C ATOM 159 C SER A 11 -6.621 2.827 -10.866 1.00 0.00 C ATOM 160 O SER A 11 -5.808 2.851 -9.947 1.00 0.00 O ATOM 161 CB SER A 11 -8.333 4.516 -11.540 1.00 0.00 C ATOM 162 OG SER A 11 -7.481 5.600 -11.212 1.00 0.00 O ATOM 0 H SER A 11 -8.309 4.667 -9.065 1.00 0.00 H new ATOM 0 HA SER A 11 -8.731 2.499 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.190 4.239 -12.584 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.374 4.820 -11.430 1.00 0.00 H new ATOM 0 HG SER A 11 -7.873 6.113 -10.475 1.00 0.00 H new ATOM 168 N TYR A 12 -6.318 2.421 -12.093 1.00 0.00 N ATOM 169 CA TYR A 12 -5.006 1.871 -12.427 1.00 0.00 C ATOM 170 C TYR A 12 -3.881 2.838 -12.088 1.00 0.00 C ATOM 171 O TYR A 12 -2.983 2.506 -11.310 1.00 0.00 O ATOM 172 CB TYR A 12 -4.951 1.499 -13.915 1.00 0.00 C ATOM 173 CG TYR A 12 -3.557 1.185 -14.424 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.665 0.453 -13.656 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.139 1.621 -15.671 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.399 0.161 -14.108 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.870 1.334 -16.135 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.005 0.604 -15.349 1.00 0.00 C ATOM 179 OH TYR A 12 0.256 0.306 -15.806 1.00 0.00 O ATOM 0 H TYR A 12 -6.967 2.462 -12.879 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.863 0.975 -11.823 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.592 0.634 -14.086 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.363 2.322 -14.500 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.971 0.104 -12.681 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.815 2.193 -16.289 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.720 -0.411 -13.493 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.557 1.680 -17.109 1.00 0.00 H new ATOM 0 HH TYR A 12 0.379 0.690 -16.699 1.00 0.00 H new ATOM 189 N GLU A 13 -3.929 4.029 -12.661 1.00 0.00 N ATOM 190 CA GLU A 13 -2.858 4.998 -12.476 1.00 0.00 C ATOM 191 C GLU A 13 -2.752 5.421 -11.017 1.00 0.00 C ATOM 192 O GLU A 13 -1.704 5.883 -10.565 1.00 0.00 O ATOM 193 CB GLU A 13 -3.083 6.211 -13.374 1.00 0.00 C ATOM 194 CG GLU A 13 -3.092 5.860 -14.851 1.00 0.00 C ATOM 195 CD GLU A 13 -3.364 7.062 -15.733 1.00 0.00 C ATOM 196 OE1 GLU A 13 -4.520 7.538 -15.764 1.00 0.00 O ATOM 197 OE2 GLU A 13 -2.421 7.540 -16.399 1.00 0.00 O ATOM 0 H GLU A 13 -4.694 4.349 -13.256 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.916 4.526 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.031 6.680 -13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.301 6.946 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.131 5.424 -15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.851 5.099 -15.035 1.00 0.00 H new ATOM 204 N GLU A 14 -3.832 5.231 -10.276 1.00 0.00 N ATOM 205 CA GLU A 14 -3.840 5.552 -8.865 1.00 0.00 C ATOM 206 C GLU A 14 -3.261 4.390 -8.080 1.00 0.00 C ATOM 207 O GLU A 14 -2.459 4.584 -7.177 1.00 0.00 O ATOM 208 CB GLU A 14 -5.259 5.855 -8.396 1.00 0.00 C ATOM 209 CG GLU A 14 -5.834 7.158 -8.926 1.00 0.00 C ATOM 210 CD GLU A 14 -7.255 7.410 -8.449 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.431 8.038 -7.385 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.209 6.990 -9.144 1.00 0.00 O ATOM 0 H GLU A 14 -4.712 4.856 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.229 6.439 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.911 5.035 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.269 5.885 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.198 7.985 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.819 7.140 -10.016 1.00 0.00 H new ATOM 219 N LYS A 15 -3.684 3.182 -8.433 1.00 0.00 N ATOM 220 CA LYS A 15 -3.140 1.968 -7.868 1.00 0.00 C ATOM 221 C LYS A 15 -1.630 1.882 -8.032 1.00 0.00 C ATOM 222 O LYS A 15 -0.910 1.646 -7.062 1.00 0.00 O ATOM 223 CB LYS A 15 -3.785 0.748 -8.511 1.00 0.00 C ATOM 224 CG LYS A 15 -5.181 0.455 -7.994 1.00 0.00 C ATOM 225 CD LYS A 15 -5.597 -0.956 -8.361 1.00 0.00 C ATOM 226 CE LYS A 15 -6.847 -1.395 -7.626 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.505 -2.530 -8.322 1.00 0.00 N ATOM 0 H LYS A 15 -4.418 3.024 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.363 1.989 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.830 0.898 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.152 -0.122 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.208 0.579 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.888 1.170 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.771 -1.014 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.783 -1.644 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.590 -1.688 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.542 -0.558 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.882 -3.197 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.283 -2.172 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.811 -3.018 -8.924 1.00 0.00 H new ATOM 241 N ARG A 16 -1.152 2.055 -9.259 1.00 0.00 N ATOM 242 CA ARG A 16 0.280 2.004 -9.513 1.00 0.00 C ATOM 243 C ARG A 16 0.989 3.090 -8.738 1.00 0.00 C ATOM 244 O ARG A 16 2.034 2.839 -8.139 1.00 0.00 O ATOM 245 CB ARG A 16 0.603 2.124 -11.013 1.00 0.00 C ATOM 246 CG ARG A 16 2.047 2.562 -11.302 1.00 0.00 C ATOM 247 CD ARG A 16 2.389 2.504 -12.780 1.00 0.00 C ATOM 248 NE ARG A 16 3.711 3.068 -13.058 1.00 0.00 N ATOM 249 CZ ARG A 16 3.995 3.810 -14.131 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.042 4.123 -15.000 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.231 4.252 -14.320 1.00 0.00 N ATOM 0 H ARG A 16 -1.728 2.230 -10.083 1.00 0.00 H new ATOM 0 HA ARG A 16 0.637 1.030 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.422 1.162 -11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.082 2.840 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.194 3.579 -10.938 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.735 1.923 -10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.358 1.469 -13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.635 3.049 -13.348 1.00 0.00 H new ATOM 0 HE ARG A 16 4.461 2.883 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.087 3.796 -14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.264 4.690 -15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.962 4.025 -13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.450 4.819 -15.139 1.00 0.00 H new ATOM 265 N GLN A 17 0.420 4.289 -8.718 1.00 0.00 N ATOM 266 CA GLN A 17 1.056 5.364 -7.997 1.00 0.00 C ATOM 267 C GLN A 17 1.004 5.076 -6.503 1.00 0.00 C ATOM 268 O GLN A 17 1.962 5.334 -5.799 1.00 0.00 O ATOM 269 CB GLN A 17 0.444 6.727 -8.356 1.00 0.00 C ATOM 270 CG GLN A 17 1.372 7.890 -8.050 1.00 0.00 C ATOM 271 CD GLN A 17 2.706 7.765 -8.761 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.797 7.185 -9.845 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.753 8.309 -8.162 1.00 0.00 N ATOM 0 H GLN A 17 -0.456 4.530 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 17 2.103 5.421 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.192 6.739 -9.416 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.488 6.858 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.891 8.823 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.540 7.945 -6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.639 8.781 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.674 8.256 -8.597 1.00 0.00 H new ATOM 282 N LEU A 18 -0.088 4.462 -6.056 1.00 0.00 N ATOM 283 CA LEU A 18 -0.261 4.074 -4.662 1.00 0.00 C ATOM 284 C LEU A 18 0.817 3.110 -4.239 1.00 0.00 C ATOM 285 O LEU A 18 1.467 3.300 -3.216 1.00 0.00 O ATOM 286 CB LEU A 18 -1.628 3.426 -4.424 1.00 0.00 C ATOM 287 CG LEU A 18 -2.549 4.158 -3.440 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.984 3.259 -2.307 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.888 5.394 -2.873 1.00 0.00 C ATOM 0 H LEU A 18 -0.879 4.220 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.194 4.985 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.142 3.344 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.470 2.411 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.430 4.458 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.635 3.814 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.524 2.402 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.107 2.911 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.570 5.886 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.977 5.110 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.639 6.078 -3.684 1.00 0.00 H new ATOM 301 N SER A 19 1.006 2.078 -5.045 1.00 0.00 N ATOM 302 CA SER A 19 2.032 1.089 -4.793 1.00 0.00 C ATOM 303 C SER A 19 3.394 1.773 -4.682 1.00 0.00 C ATOM 304 O SER A 19 4.277 1.333 -3.945 1.00 0.00 O ATOM 305 CB SER A 19 2.048 0.063 -5.919 1.00 0.00 C ATOM 306 OG SER A 19 0.739 -0.418 -6.191 1.00 0.00 O ATOM 0 H SER A 19 0.455 1.906 -5.886 1.00 0.00 H new ATOM 0 HA SER A 19 1.817 0.578 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.468 0.512 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.696 -0.770 -5.647 1.00 0.00 H new ATOM 0 HG SER A 19 0.221 0.281 -6.643 1.00 0.00 H new ATOM 312 N LEU A 20 3.533 2.865 -5.423 1.00 0.00 N ATOM 313 CA LEU A 20 4.747 3.670 -5.407 1.00 0.00 C ATOM 314 C LEU A 20 4.817 4.583 -4.166 1.00 0.00 C ATOM 315 O LEU A 20 5.848 4.630 -3.500 1.00 0.00 O ATOM 316 CB LEU A 20 4.838 4.482 -6.705 1.00 0.00 C ATOM 317 CG LEU A 20 4.963 3.635 -7.975 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.836 4.489 -9.227 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.275 2.882 -7.975 1.00 0.00 C ATOM 0 H LEU A 20 2.809 3.217 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 20 5.605 3.000 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.952 5.111 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.698 5.149 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 20 4.144 2.916 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.929 3.857 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.864 4.981 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.624 5.242 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.351 2.284 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.102 3.591 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.319 2.227 -7.105 1.00 0.00 H new ATOM 331 N ASP A 21 3.735 5.312 -3.855 1.00 0.00 N ATOM 332 CA ASP A 21 3.663 6.103 -2.631 1.00 0.00 C ATOM 333 C ASP A 21 3.938 5.227 -1.416 1.00 0.00 C ATOM 334 O ASP A 21 4.657 5.616 -0.490 1.00 0.00 O ATOM 335 CB ASP A 21 2.309 6.773 -2.478 1.00 0.00 C ATOM 336 CG ASP A 21 1.666 7.226 -3.769 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.335 7.952 -4.536 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.479 6.932 -3.988 1.00 0.00 O ATOM 0 H ASP A 21 2.900 5.366 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 21 4.424 6.880 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.633 6.080 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.421 7.637 -1.824 1.00 0.00 H new ATOM 343 N ILE A 22 3.384 4.032 -1.451 1.00 0.00 N ATOM 344 CA ILE A 22 3.548 3.064 -0.378 1.00 0.00 C ATOM 345 C ILE A 22 4.985 2.546 -0.308 1.00 0.00 C ATOM 346 O ILE A 22 5.526 2.342 0.774 1.00 0.00 O ATOM 347 CB ILE A 22 2.557 1.891 -0.537 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.122 2.368 -0.295 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.893 0.769 0.423 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.076 1.412 -0.816 1.00 0.00 C ATOM 0 H ILE A 22 2.806 3.701 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 22 3.330 3.575 0.560 1.00 0.00 H new ATOM 0 HB ILE A 22 2.640 1.515 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.971 2.513 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.985 3.339 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.181 -0.046 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.901 0.407 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.839 1.138 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.917 1.812 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.202 1.286 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.187 0.447 -0.322 1.00 0.00 H new ATOM 362 N ASN A 23 5.613 2.361 -1.458 1.00 0.00 N ATOM 363 CA ASN A 23 6.981 1.852 -1.491 1.00 0.00 C ATOM 364 C ASN A 23 7.986 2.962 -1.180 1.00 0.00 C ATOM 365 O ASN A 23 9.151 2.685 -0.890 1.00 0.00 O ATOM 366 CB ASN A 23 7.288 1.185 -2.840 1.00 0.00 C ATOM 367 CG ASN A 23 8.081 2.050 -3.808 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.518 2.760 -4.635 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.400 1.972 -3.731 1.00 0.00 N ATOM 0 H ASN A 23 5.206 2.552 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 23 7.076 1.091 -0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.843 0.265 -2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.348 0.902 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.981 2.513 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.835 1.371 -3.031 1.00 0.00 H new ATOM 376 N LYS A 24 7.537 4.215 -1.249 1.00 0.00 N ATOM 377 CA LYS A 24 8.354 5.346 -0.822 1.00 0.00 C ATOM 378 C LYS A 24 8.657 5.240 0.658 1.00 0.00 C ATOM 379 O LYS A 24 9.743 5.611 1.116 1.00 0.00 O ATOM 380 CB LYS A 24 7.628 6.660 -1.039 1.00 0.00 C ATOM 381 CG LYS A 24 7.441 7.063 -2.480 1.00 0.00 C ATOM 382 CD LYS A 24 6.578 8.318 -2.509 1.00 0.00 C ATOM 383 CE LYS A 24 5.939 8.631 -3.855 1.00 0.00 C ATOM 384 NZ LYS A 24 4.562 9.175 -3.710 1.00 0.00 N ATOM 0 H LYS A 24 6.613 4.470 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 24 9.269 5.323 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.648 6.597 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.178 7.449 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.406 7.253 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.964 6.260 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.788 8.215 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.190 9.168 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.558 9.351 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.908 7.725 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.870 8.411 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.446 9.577 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.406 9.918 -4.420 1.00 0.00 H new ATOM 398 N LEU A 25 7.662 4.763 1.399 1.00 0.00 N ATOM 399 CA LEU A 25 7.750 4.649 2.839 1.00 0.00 C ATOM 400 C LEU A 25 8.964 3.839 3.254 1.00 0.00 C ATOM 401 O LEU A 25 9.365 2.895 2.571 1.00 0.00 O ATOM 402 CB LEU A 25 6.505 3.970 3.398 1.00 0.00 C ATOM 403 CG LEU A 25 5.168 4.500 2.901 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.060 3.614 3.426 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.948 5.937 3.353 1.00 0.00 C ATOM 0 H LEU A 25 6.773 4.446 1.011 1.00 0.00 H new ATOM 0 HA LEU A 25 7.837 5.660 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.560 2.907 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.526 4.058 4.484 1.00 0.00 H new ATOM 0 HG LEU A 25 5.166 4.489 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.098 3.987 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.207 2.596 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.075 3.620 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.985 6.291 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.958 5.981 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.743 6.569 2.957 1.00 0.00 H new ATOM 417 N PRO A 26 9.586 4.233 4.362 1.00 0.00 N ATOM 418 CA PRO A 26 10.609 3.418 5.007 1.00 0.00 C ATOM 419 C PRO A 26 10.046 2.060 5.421 1.00 0.00 C ATOM 420 O PRO A 26 8.836 1.937 5.636 1.00 0.00 O ATOM 421 CB PRO A 26 11.024 4.223 6.242 1.00 0.00 C ATOM 422 CG PRO A 26 10.474 5.605 6.047 1.00 0.00 C ATOM 423 CD PRO A 26 9.363 5.524 5.030 1.00 0.00 C ATOM 0 HA PRO A 26 11.447 3.213 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.628 3.772 7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.109 4.247 6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.099 6.003 6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.256 6.282 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.383 5.563 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.408 6.352 4.323 1.00 0.00 H new ATOM 431 N GLY A 27 10.915 1.055 5.533 1.00 0.00 N ATOM 432 CA GLY A 27 10.477 -0.316 5.786 1.00 0.00 C ATOM 433 C GLY A 27 9.442 -0.432 6.891 1.00 0.00 C ATOM 434 O GLY A 27 8.431 -1.122 6.732 1.00 0.00 O ATOM 0 H GLY A 27 11.926 1.166 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.063 -0.731 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.344 -0.923 6.047 1.00 0.00 H new ATOM 438 N GLU A 28 9.689 0.262 7.997 1.00 0.00 N ATOM 439 CA GLU A 28 8.785 0.269 9.146 1.00 0.00 C ATOM 440 C GLU A 28 7.365 0.665 8.734 1.00 0.00 C ATOM 441 O GLU A 28 6.378 0.093 9.202 1.00 0.00 O ATOM 442 CB GLU A 28 9.301 1.263 10.190 1.00 0.00 C ATOM 443 CG GLU A 28 8.512 1.266 11.485 1.00 0.00 C ATOM 444 CD GLU A 28 8.777 0.040 12.327 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.719 0.072 13.143 1.00 0.00 O ATOM 446 OE2 GLU A 28 8.046 -0.958 12.184 1.00 0.00 O ATOM 0 H GLU A 28 10.522 0.837 8.124 1.00 0.00 H new ATOM 0 HA GLU A 28 8.754 -0.738 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.343 1.032 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.281 2.265 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.764 2.158 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.447 1.324 11.258 1.00 0.00 H new ATOM 453 N LYS A 29 7.271 1.631 7.836 1.00 0.00 N ATOM 454 CA LYS A 29 5.994 2.210 7.473 1.00 0.00 C ATOM 455 C LYS A 29 5.206 1.310 6.525 1.00 0.00 C ATOM 456 O LYS A 29 3.979 1.343 6.512 1.00 0.00 O ATOM 457 CB LYS A 29 6.191 3.595 6.859 1.00 0.00 C ATOM 458 CG LYS A 29 6.461 4.728 7.866 1.00 0.00 C ATOM 459 CD LYS A 29 5.877 4.497 9.255 1.00 0.00 C ATOM 460 CE LYS A 29 6.225 5.663 10.167 1.00 0.00 C ATOM 461 NZ LYS A 29 5.955 6.976 9.521 1.00 0.00 N ATOM 0 H LYS A 29 8.070 2.031 7.344 1.00 0.00 H new ATOM 0 HA LYS A 29 5.409 2.308 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.024 3.548 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.302 3.848 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.538 4.865 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.054 5.657 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.795 4.387 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.267 3.569 9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.648 5.587 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.278 5.605 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.926 7.720 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.710 7.188 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.041 6.938 9.027 1.00 0.00 H new ATOM 475 N LEU A 30 5.886 0.477 5.752 1.00 0.00 N ATOM 476 CA LEU A 30 5.172 -0.499 4.940 1.00 0.00 C ATOM 477 C LEU A 30 4.589 -1.584 5.839 1.00 0.00 C ATOM 478 O LEU A 30 3.740 -2.365 5.419 1.00 0.00 O ATOM 479 CB LEU A 30 6.048 -1.118 3.853 1.00 0.00 C ATOM 480 CG LEU A 30 6.469 -0.186 2.723 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.927 0.186 2.849 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.214 -0.837 1.375 1.00 0.00 C ATOM 0 H LEU A 30 6.902 0.454 5.669 1.00 0.00 H new ATOM 0 HA LEU A 30 4.368 0.028 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.947 -1.517 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.513 -1.963 3.420 1.00 0.00 H new ATOM 0 HG LEU A 30 5.872 0.723 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.205 0.852 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.093 0.691 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.538 -0.716 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.520 -0.158 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.787 -1.762 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.152 -1.059 1.273 1.00 0.00 H new ATOM 494 N GLY A 31 5.032 -1.602 7.092 1.00 0.00 N ATOM 495 CA GLY A 31 4.460 -2.503 8.073 1.00 0.00 C ATOM 496 C GLY A 31 3.034 -2.125 8.416 1.00 0.00 C ATOM 497 O GLY A 31 2.276 -2.925 8.962 1.00 0.00 O ATOM 0 H GLY A 31 5.780 -1.006 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.484 -3.523 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.068 -2.489 8.978 1.00 0.00 H new ATOM 501 N ARG A 32 2.675 -0.893 8.097 1.00 0.00 N ATOM 502 CA ARG A 32 1.311 -0.416 8.277 1.00 0.00 C ATOM 503 C ARG A 32 0.406 -0.875 7.133 1.00 0.00 C ATOM 504 O ARG A 32 -0.646 -1.456 7.372 1.00 0.00 O ATOM 505 CB ARG A 32 1.289 1.107 8.379 1.00 0.00 C ATOM 506 CG ARG A 32 -0.087 1.709 8.132 1.00 0.00 C ATOM 507 CD ARG A 32 -0.730 2.229 9.400 1.00 0.00 C ATOM 508 NE ARG A 32 0.038 3.313 10.010 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.387 4.020 11.055 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.537 3.713 11.644 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.338 5.033 11.513 1.00 0.00 N ATOM 0 H ARG A 32 3.314 -0.199 7.709 1.00 0.00 H new ATOM 0 HA ARG A 32 0.930 -0.842 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.634 1.403 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.994 1.522 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.000 2.523 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.734 0.955 7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.736 2.582 9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.831 1.412 10.114 1.00 0.00 H new ATOM 0 HE ARG A 32 0.950 3.540 9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.096 2.934 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.861 4.256 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.222 5.271 11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.011 5.573 12.314 1.00 0.00 H new ATOM 525 N VAL A 33 0.810 -0.608 5.892 1.00 0.00 N ATOM 526 CA VAL A 33 0.012 -1.000 4.725 1.00 0.00 C ATOM 527 C VAL A 33 -0.196 -2.501 4.669 1.00 0.00 C ATOM 528 O VAL A 33 -1.299 -2.953 4.375 1.00 0.00 O ATOM 529 CB VAL A 33 0.633 -0.524 3.400 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.288 0.933 3.150 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.135 -0.714 3.408 1.00 0.00 C ATOM 0 H VAL A 33 1.680 -0.125 5.666 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.953 -0.508 4.847 1.00 0.00 H new ATOM 0 HB VAL A 33 0.218 -1.128 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.734 1.256 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.795 1.046 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.677 1.544 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.550 -0.370 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.570 -0.139 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.367 -1.770 3.544 1.00 0.00 H new ATOM 541 N VAL A 34 0.845 -3.274 4.957 1.00 0.00 N ATOM 542 CA VAL A 34 0.693 -4.715 5.009 1.00 0.00 C ATOM 543 C VAL A 34 -0.324 -5.079 6.085 1.00 0.00 C ATOM 544 O VAL A 34 -1.177 -5.927 5.874 1.00 0.00 O ATOM 545 CB VAL A 34 2.035 -5.444 5.256 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.055 -5.069 4.198 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.578 -5.152 6.638 1.00 0.00 C ATOM 0 H VAL A 34 1.785 -2.931 5.154 1.00 0.00 H new ATOM 0 HA VAL A 34 0.335 -5.048 4.035 1.00 0.00 H new ATOM 0 HB VAL A 34 1.842 -6.515 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.990 -5.594 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.679 -5.350 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.230 -3.993 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.521 -5.680 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.743 -4.080 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.861 -5.485 7.388 1.00 0.00 H new ATOM 557 N HIS A 35 -0.258 -4.379 7.212 1.00 0.00 N ATOM 558 CA HIS A 35 -1.193 -4.579 8.311 1.00 0.00 C ATOM 559 C HIS A 35 -2.615 -4.231 7.872 1.00 0.00 C ATOM 560 O HIS A 35 -3.559 -4.957 8.176 1.00 0.00 O ATOM 561 CB HIS A 35 -0.758 -3.727 9.511 1.00 0.00 C ATOM 562 CG HIS A 35 -1.698 -3.751 10.678 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.588 -4.654 11.711 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.752 -2.957 10.983 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.534 -4.420 12.600 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.254 -3.396 12.182 1.00 0.00 N ATOM 0 H HIS A 35 0.443 -3.659 7.388 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.187 -5.628 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.221 -4.070 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.639 -2.695 9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.127 -2.133 10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.692 -4.972 13.514 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.054 -2.996 12.671 1.00 0.00 H new ATOM 575 N ILE A 36 -2.762 -3.121 7.154 1.00 0.00 N ATOM 576 CA ILE A 36 -4.058 -2.735 6.612 1.00 0.00 C ATOM 577 C ILE A 36 -4.546 -3.777 5.615 1.00 0.00 C ATOM 578 O ILE A 36 -5.572 -4.409 5.828 1.00 0.00 O ATOM 579 CB ILE A 36 -4.030 -1.356 5.915 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.704 -0.244 6.906 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.386 -1.094 5.279 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.384 1.073 6.236 1.00 0.00 C ATOM 0 H ILE A 36 -2.002 -2.476 6.936 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.738 -2.669 7.462 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.252 -1.366 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.550 -0.106 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.855 -0.549 7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.375 -0.122 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.600 -1.872 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.157 -1.100 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.161 1.823 6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.520 0.949 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.240 1.398 5.645 1.00 0.00 H new ATOM 594 N ILE A 37 -3.800 -3.956 4.535 1.00 0.00 N ATOM 595 CA ILE A 37 -4.158 -4.923 3.507 1.00 0.00 C ATOM 596 C ILE A 37 -4.467 -6.305 4.096 1.00 0.00 C ATOM 597 O ILE A 37 -5.534 -6.842 3.861 1.00 0.00 O ATOM 598 CB ILE A 37 -3.054 -5.054 2.453 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.085 -3.861 1.514 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.230 -6.337 1.672 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.745 -3.212 1.325 1.00 0.00 C ATOM 0 H ILE A 37 -2.939 -3.442 4.347 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.062 -4.542 3.032 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.088 -5.080 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.464 -4.182 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.786 -3.122 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.440 -6.420 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.177 -7.187 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.200 -6.330 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.843 -2.368 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.372 -2.860 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.045 -3.936 0.908 1.00 0.00 H new ATOM 613 N GLN A 38 -3.541 -6.863 4.875 1.00 0.00 N ATOM 614 CA GLN A 38 -3.702 -8.216 5.426 1.00 0.00 C ATOM 615 C GLN A 38 -4.976 -8.344 6.263 1.00 0.00 C ATOM 616 O GLN A 38 -5.644 -9.378 6.235 1.00 0.00 O ATOM 617 CB GLN A 38 -2.498 -8.587 6.294 1.00 0.00 C ATOM 618 CG GLN A 38 -1.241 -8.917 5.510 1.00 0.00 C ATOM 619 CD GLN A 38 0.007 -8.873 6.370 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.083 -8.124 7.340 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.994 -9.673 6.020 1.00 0.00 N ATOM 0 H GLN A 38 -2.671 -6.403 5.141 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.775 -8.897 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.284 -7.759 6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.762 -9.444 6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.341 -9.909 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.135 -8.212 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.894 -10.281 5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.858 -9.684 6.562 1.00 0.00 H new ATOM 630 N SER A 39 -5.295 -7.304 7.024 1.00 0.00 N ATOM 631 CA SER A 39 -6.468 -7.317 7.875 1.00 0.00 C ATOM 632 C SER A 39 -7.746 -7.153 7.056 1.00 0.00 C ATOM 633 O SER A 39 -8.759 -7.804 7.320 1.00 0.00 O ATOM 634 CB SER A 39 -6.358 -6.212 8.925 1.00 0.00 C ATOM 635 OG SER A 39 -6.275 -4.930 8.332 1.00 0.00 O ATOM 0 H SER A 39 -4.753 -6.441 7.066 1.00 0.00 H new ATOM 0 HA SER A 39 -6.519 -8.283 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.224 -6.251 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.477 -6.384 9.543 1.00 0.00 H new ATOM 0 HG SER A 39 -5.358 -4.770 8.026 1.00 0.00 H new ATOM 641 N ARG A 40 -7.688 -6.277 6.064 1.00 0.00 N ATOM 642 CA ARG A 40 -8.835 -6.003 5.212 1.00 0.00 C ATOM 643 C ARG A 40 -9.036 -7.136 4.204 1.00 0.00 C ATOM 644 O ARG A 40 -10.165 -7.452 3.821 1.00 0.00 O ATOM 645 CB ARG A 40 -8.639 -4.661 4.488 1.00 0.00 C ATOM 646 CG ARG A 40 -8.365 -3.494 5.433 1.00 0.00 C ATOM 647 CD ARG A 40 -9.110 -2.231 5.033 1.00 0.00 C ATOM 648 NE ARG A 40 -10.562 -2.416 5.045 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.445 -1.418 5.125 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.028 -0.160 5.174 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.746 -1.684 5.160 1.00 0.00 N ATOM 0 H ARG A 40 -6.853 -5.741 5.828 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.729 -5.939 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.809 -4.753 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.530 -4.441 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.653 -3.776 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.294 -3.290 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.843 -1.423 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.793 -1.925 4.036 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.922 -3.369 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.030 0.048 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.706 0.600 5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.070 -2.651 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.421 -0.922 5.221 1.00 0.00 H new ATOM 665 N GLU A 41 -7.937 -7.749 3.792 1.00 0.00 N ATOM 666 CA GLU A 41 -7.965 -8.818 2.800 1.00 0.00 C ATOM 667 C GLU A 41 -7.564 -10.160 3.431 1.00 0.00 C ATOM 668 O GLU A 41 -6.373 -10.471 3.496 1.00 0.00 O ATOM 669 CB GLU A 41 -6.988 -8.489 1.671 1.00 0.00 C ATOM 670 CG GLU A 41 -7.120 -7.070 1.140 1.00 0.00 C ATOM 671 CD GLU A 41 -8.448 -6.817 0.455 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.834 -7.614 -0.422 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.112 -5.811 0.780 1.00 0.00 O ATOM 0 H GLU A 41 -7.003 -7.522 4.133 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.980 -8.900 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.970 -8.640 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.145 -9.190 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.003 -6.367 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.311 -6.874 0.436 1.00 0.00 H new ATOM 680 N PRO A 42 -8.528 -10.995 3.890 1.00 0.00 N ATOM 681 CA PRO A 42 -8.199 -12.251 4.601 1.00 0.00 C ATOM 682 C PRO A 42 -7.526 -13.328 3.729 1.00 0.00 C ATOM 683 O PRO A 42 -7.288 -14.442 4.198 1.00 0.00 O ATOM 684 CB PRO A 42 -9.563 -12.749 5.106 1.00 0.00 C ATOM 685 CG PRO A 42 -10.556 -12.148 4.175 1.00 0.00 C ATOM 686 CD PRO A 42 -10.008 -10.800 3.789 1.00 0.00 C ATOM 0 HA PRO A 42 -7.465 -12.061 5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.616 -13.838 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.743 -12.434 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.696 -12.777 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.530 -12.049 4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.309 -10.516 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.358 -10.015 4.460 1.00 0.00 H new ATOM 694 N SER A 43 -7.205 -13.011 2.479 1.00 0.00 N ATOM 695 CA SER A 43 -6.721 -14.021 1.543 1.00 0.00 C ATOM 696 C SER A 43 -5.205 -13.961 1.390 1.00 0.00 C ATOM 697 O SER A 43 -4.616 -14.774 0.679 1.00 0.00 O ATOM 698 CB SER A 43 -7.385 -13.836 0.171 1.00 0.00 C ATOM 699 OG SER A 43 -8.799 -13.835 0.285 1.00 0.00 O ATOM 0 H SER A 43 -7.270 -12.070 2.092 1.00 0.00 H new ATOM 0 HA SER A 43 -6.985 -14.998 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.052 -12.898 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.071 -14.636 -0.499 1.00 0.00 H new ATOM 0 HG SER A 43 -9.199 -13.714 -0.602 1.00 0.00 H new ATOM 705 N LEU A 44 -4.569 -13.008 2.056 1.00 0.00 N ATOM 706 CA LEU A 44 -3.134 -12.830 1.902 1.00 0.00 C ATOM 707 C LEU A 44 -2.426 -12.754 3.250 1.00 0.00 C ATOM 708 O LEU A 44 -1.298 -12.271 3.346 1.00 0.00 O ATOM 709 CB LEU A 44 -2.852 -11.587 1.051 1.00 0.00 C ATOM 710 CG LEU A 44 -3.456 -10.280 1.546 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.499 -9.577 2.485 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.813 -9.396 0.362 1.00 0.00 C ATOM 0 H LEU A 44 -5.017 -12.355 2.699 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.734 -13.704 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.772 -11.459 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.219 -11.773 0.042 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.368 -10.495 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.946 -8.645 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.293 -10.219 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.568 -9.361 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.245 -8.462 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.914 -9.181 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.537 -9.910 -0.271 1.00 0.00 H new ATOM 724 N LYS A 45 -3.071 -13.274 4.284 1.00 0.00 N ATOM 725 CA LYS A 45 -2.505 -13.226 5.628 1.00 0.00 C ATOM 726 C LYS A 45 -1.422 -14.289 5.803 1.00 0.00 C ATOM 727 O LYS A 45 -0.802 -14.393 6.861 1.00 0.00 O ATOM 728 CB LYS A 45 -3.598 -13.380 6.691 1.00 0.00 C ATOM 729 CG LYS A 45 -4.342 -14.705 6.631 1.00 0.00 C ATOM 730 CD LYS A 45 -5.707 -14.637 7.302 1.00 0.00 C ATOM 731 CE LYS A 45 -5.591 -14.579 8.818 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.919 -15.780 9.380 1.00 0.00 N ATOM 0 H LYS A 45 -3.981 -13.731 4.221 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.042 -12.248 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.147 -13.273 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.316 -12.567 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.467 -15.001 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.742 -15.477 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.244 -13.758 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.296 -15.508 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.034 -13.687 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.586 -14.486 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.127 -15.850 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.268 -16.632 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.891 -15.699 9.242 1.00 0.00 H new ATOM 746 N ASN A 46 -1.203 -15.077 4.755 1.00 0.00 N ATOM 747 CA ASN A 46 -0.130 -16.066 4.747 1.00 0.00 C ATOM 748 C ASN A 46 1.210 -15.375 4.495 1.00 0.00 C ATOM 749 O ASN A 46 2.254 -15.836 4.959 1.00 0.00 O ATOM 750 CB ASN A 46 -0.382 -17.155 3.668 1.00 0.00 C ATOM 751 CG ASN A 46 -0.124 -16.659 2.255 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.000 -16.723 1.756 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.169 -16.185 1.591 1.00 0.00 N ATOM 0 H ASN A 46 -1.756 -15.050 3.898 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.106 -16.555 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.259 -18.013 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.413 -17.502 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.058 -15.857 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.084 -16.148 2.039 1.00 0.00 H new ATOM 760 N SER A 47 1.175 -14.263 3.772 1.00 0.00 N ATOM 761 CA SER A 47 2.373 -13.483 3.516 1.00 0.00 C ATOM 762 C SER A 47 2.813 -12.778 4.792 1.00 0.00 C ATOM 763 O SER A 47 2.019 -12.093 5.433 1.00 0.00 O ATOM 764 CB SER A 47 2.106 -12.469 2.402 1.00 0.00 C ATOM 765 OG SER A 47 1.733 -13.130 1.205 1.00 0.00 O ATOM 0 H SER A 47 0.327 -13.882 3.353 1.00 0.00 H new ATOM 0 HA SER A 47 3.175 -14.147 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.315 -11.785 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.998 -11.867 2.229 1.00 0.00 H new ATOM 0 HG SER A 47 1.564 -12.466 0.504 1.00 0.00 H new ATOM 771 N ASN A 48 4.064 -12.976 5.176 1.00 0.00 N ATOM 772 CA ASN A 48 4.596 -12.359 6.384 1.00 0.00 C ATOM 773 C ASN A 48 4.974 -10.906 6.066 1.00 0.00 C ATOM 774 O ASN A 48 5.509 -10.675 4.994 1.00 0.00 O ATOM 775 CB ASN A 48 5.825 -13.130 6.867 1.00 0.00 C ATOM 776 CG ASN A 48 5.802 -13.398 8.363 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.214 -12.650 9.138 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.441 -14.475 8.781 1.00 0.00 N ATOM 0 H ASN A 48 4.731 -13.559 4.670 1.00 0.00 H new ATOM 0 HA ASN A 48 3.845 -12.380 7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.886 -14.079 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.723 -12.566 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.456 -14.706 9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.920 -15.076 8.111 1.00 0.00 H new ATOM 785 N PRO A 49 4.711 -9.900 6.940 1.00 0.00 N ATOM 786 CA PRO A 49 4.922 -8.474 6.580 1.00 0.00 C ATOM 787 C PRO A 49 6.299 -8.184 5.987 1.00 0.00 C ATOM 788 O PRO A 49 6.414 -7.425 5.027 1.00 0.00 O ATOM 789 CB PRO A 49 4.750 -7.717 7.909 1.00 0.00 C ATOM 790 CG PRO A 49 4.663 -8.763 8.976 1.00 0.00 C ATOM 791 CD PRO A 49 4.220 -10.033 8.329 1.00 0.00 C ATOM 0 HA PRO A 49 4.220 -8.173 5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.591 -7.048 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.851 -7.101 7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.630 -8.897 9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.958 -8.462 9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.646 -10.906 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.136 -10.145 8.363 1.00 0.00 H new ATOM 799 N ASP A 50 7.328 -8.818 6.525 1.00 0.00 N ATOM 800 CA ASP A 50 8.705 -8.519 6.120 1.00 0.00 C ATOM 801 C ASP A 50 9.074 -9.244 4.828 1.00 0.00 C ATOM 802 O ASP A 50 10.086 -8.944 4.201 1.00 0.00 O ATOM 803 CB ASP A 50 9.695 -8.877 7.232 1.00 0.00 C ATOM 804 CG ASP A 50 9.523 -8.009 8.464 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.114 -6.908 8.512 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.797 -8.425 9.395 1.00 0.00 O ATOM 0 H ASP A 50 7.244 -9.540 7.240 1.00 0.00 H new ATOM 0 HA ASP A 50 8.765 -7.446 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.564 -9.923 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.713 -8.771 6.856 1.00 0.00 H new ATOM 811 N GLU A 51 8.242 -10.194 4.441 1.00 0.00 N ATOM 812 CA GLU A 51 8.399 -10.917 3.182 1.00 0.00 C ATOM 813 C GLU A 51 7.100 -10.834 2.395 1.00 0.00 C ATOM 814 O GLU A 51 6.734 -11.737 1.646 1.00 0.00 O ATOM 815 CB GLU A 51 8.794 -12.374 3.422 1.00 0.00 C ATOM 816 CG GLU A 51 10.293 -12.579 3.592 1.00 0.00 C ATOM 817 CD GLU A 51 11.061 -12.448 2.288 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.090 -13.430 1.512 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.651 -11.375 2.039 1.00 0.00 O ATOM 0 H GLU A 51 7.435 -10.490 4.989 1.00 0.00 H new ATOM 0 HA GLU A 51 9.203 -10.456 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.283 -12.738 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.446 -12.979 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.675 -11.851 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.473 -13.567 4.016 1.00 0.00 H new ATOM 826 N ILE A 52 6.400 -9.737 2.611 1.00 0.00 N ATOM 827 CA ILE A 52 5.073 -9.519 2.061 1.00 0.00 C ATOM 828 C ILE A 52 5.081 -9.489 0.528 1.00 0.00 C ATOM 829 O ILE A 52 6.089 -9.156 -0.104 1.00 0.00 O ATOM 830 CB ILE A 52 4.507 -8.183 2.593 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.031 -8.027 2.259 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.267 -7.036 1.982 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.142 -9.117 2.801 1.00 0.00 C ATOM 0 H ILE A 52 6.740 -8.962 3.180 1.00 0.00 H new ATOM 0 HA ILE A 52 4.446 -10.353 2.376 1.00 0.00 H new ATOM 0 HB ILE A 52 4.618 -8.183 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.685 -7.069 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.920 -7.992 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.868 -6.094 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.321 -7.115 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.163 -7.068 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.109 -8.921 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.456 -10.078 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.217 -9.141 3.888 1.00 0.00 H new ATOM 845 N GLU A 53 3.961 -9.886 -0.053 1.00 0.00 N ATOM 846 CA GLU A 53 3.707 -9.690 -1.467 1.00 0.00 C ATOM 847 C GLU A 53 2.241 -9.281 -1.632 1.00 0.00 C ATOM 848 O GLU A 53 1.351 -10.129 -1.615 1.00 0.00 O ATOM 849 CB GLU A 53 4.002 -10.981 -2.239 1.00 0.00 C ATOM 850 CG GLU A 53 4.393 -10.753 -3.688 1.00 0.00 C ATOM 851 CD GLU A 53 4.498 -12.044 -4.481 1.00 0.00 C ATOM 852 OE1 GLU A 53 4.597 -11.975 -5.724 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.482 -13.136 -3.868 1.00 0.00 O ATOM 0 H GLU A 53 3.203 -10.353 0.444 1.00 0.00 H new ATOM 0 HA GLU A 53 4.355 -8.910 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.806 -11.518 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.121 -11.622 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.657 -10.101 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.350 -10.232 -3.723 1.00 0.00 H new ATOM 860 N ILE A 54 1.992 -7.981 -1.762 1.00 0.00 N ATOM 861 CA ILE A 54 0.627 -7.464 -1.794 1.00 0.00 C ATOM 862 C ILE A 54 0.109 -7.395 -3.220 1.00 0.00 C ATOM 863 O ILE A 54 0.769 -6.859 -4.109 1.00 0.00 O ATOM 864 CB ILE A 54 0.518 -6.055 -1.155 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.951 -6.099 0.311 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.914 -5.528 -1.267 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.168 -4.732 0.921 1.00 0.00 C ATOM 0 H ILE A 54 2.716 -7.267 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 54 0.022 -8.157 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 54 1.182 -5.379 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.194 -6.629 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.874 -6.674 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.974 -4.538 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.197 -5.464 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.593 -6.206 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.473 -4.842 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.947 -4.206 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.241 -4.161 0.873 1.00 0.00 H new ATOM 879 N ASP A 55 -1.072 -7.946 -3.435 1.00 0.00 N ATOM 880 CA ASP A 55 -1.705 -7.898 -4.732 1.00 0.00 C ATOM 881 C ASP A 55 -2.678 -6.730 -4.778 1.00 0.00 C ATOM 882 O ASP A 55 -3.837 -6.853 -4.353 1.00 0.00 O ATOM 883 CB ASP A 55 -2.459 -9.197 -5.018 1.00 0.00 C ATOM 884 CG ASP A 55 -1.835 -10.412 -4.371 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.084 -11.138 -5.053 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.115 -10.658 -3.180 1.00 0.00 O ATOM 0 H ASP A 55 -1.612 -8.434 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.932 -7.770 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.486 -9.096 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.504 -9.352 -6.096 1.00 0.00 H new ATOM 891 N PHE A 56 -2.215 -5.599 -5.302 1.00 0.00 N ATOM 892 CA PHE A 56 -3.023 -4.381 -5.345 1.00 0.00 C ATOM 893 C PHE A 56 -4.297 -4.599 -6.154 1.00 0.00 C ATOM 894 O PHE A 56 -5.274 -3.863 -6.022 1.00 0.00 O ATOM 895 CB PHE A 56 -2.222 -3.221 -5.941 1.00 0.00 C ATOM 896 CG PHE A 56 -2.461 -1.944 -5.204 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.957 -1.785 -3.939 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.211 -0.919 -5.748 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.187 -0.642 -3.229 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.441 0.242 -5.026 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.923 0.362 -3.767 1.00 0.00 C ATOM 0 H PHE A 56 -1.283 -5.499 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.299 -4.130 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.159 -3.462 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.494 -3.092 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.369 -2.576 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.621 -1.023 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.781 -0.537 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.024 1.044 -5.454 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.101 1.262 -3.197 1.00 0.00 H new ATOM 911 N GLU A 57 -4.276 -5.636 -6.969 1.00 0.00 N ATOM 912 CA GLU A 57 -5.376 -5.952 -7.858 1.00 0.00 C ATOM 913 C GLU A 57 -6.458 -6.769 -7.162 1.00 0.00 C ATOM 914 O GLU A 57 -7.550 -6.956 -7.702 1.00 0.00 O ATOM 915 CB GLU A 57 -4.831 -6.711 -9.060 1.00 0.00 C ATOM 916 CG GLU A 57 -3.950 -5.856 -9.951 1.00 0.00 C ATOM 917 CD GLU A 57 -4.747 -4.815 -10.701 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.191 -3.829 -10.077 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.950 -4.990 -11.921 1.00 0.00 O ATOM 0 H GLU A 57 -3.492 -6.285 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.841 -5.020 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.260 -7.571 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.664 -7.098 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.190 -5.364 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.426 -6.494 -10.663 1.00 0.00 H new ATOM 926 N THR A 58 -6.166 -7.244 -5.964 1.00 0.00 N ATOM 927 CA THR A 58 -7.120 -8.056 -5.229 1.00 0.00 C ATOM 928 C THR A 58 -7.731 -7.277 -4.076 1.00 0.00 C ATOM 929 O THR A 58 -8.799 -7.628 -3.573 1.00 0.00 O ATOM 930 CB THR A 58 -6.463 -9.336 -4.693 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.405 -9.014 -3.776 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.917 -10.160 -5.843 1.00 0.00 C ATOM 0 H THR A 58 -5.282 -7.083 -5.482 1.00 0.00 H new ATOM 0 HA THR A 58 -7.911 -8.332 -5.926 1.00 0.00 H new ATOM 0 HB THR A 58 -7.218 -9.917 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.025 -8.141 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.453 -11.066 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.731 -10.430 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.174 -9.577 -6.388 1.00 0.00 H new ATOM 940 N LEU A 59 -7.051 -6.209 -3.672 1.00 0.00 N ATOM 941 CA LEU A 59 -7.494 -5.402 -2.543 1.00 0.00 C ATOM 942 C LEU A 59 -8.840 -4.773 -2.841 1.00 0.00 C ATOM 943 O LEU A 59 -9.098 -4.340 -3.968 1.00 0.00 O ATOM 944 CB LEU A 59 -6.481 -4.301 -2.239 1.00 0.00 C ATOM 945 CG LEU A 59 -5.023 -4.751 -2.217 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.101 -3.577 -1.945 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.822 -5.825 -1.171 1.00 0.00 C ATOM 0 H LEU A 59 -6.190 -5.883 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.583 -6.056 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.590 -3.512 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.724 -3.862 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.777 -5.161 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.067 -3.921 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.226 -2.828 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.347 -3.137 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.778 -6.137 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.088 -5.432 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.455 -6.681 -1.402 1.00 0.00 H new ATOM 959 N LYS A 60 -9.703 -4.744 -1.843 1.00 0.00 N ATOM 960 CA LYS A 60 -10.989 -4.099 -1.983 1.00 0.00 C ATOM 961 C LYS A 60 -10.799 -2.576 -1.948 1.00 0.00 C ATOM 962 O LYS A 60 -9.929 -2.089 -1.218 1.00 0.00 O ATOM 963 CB LYS A 60 -11.936 -4.586 -0.874 1.00 0.00 C ATOM 964 CG LYS A 60 -11.671 -3.997 0.504 1.00 0.00 C ATOM 965 CD LYS A 60 -12.682 -4.503 1.529 1.00 0.00 C ATOM 966 CE LYS A 60 -12.209 -5.762 2.256 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.608 -6.763 1.339 1.00 0.00 N ATOM 0 H LYS A 60 -9.534 -5.161 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.441 -4.360 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.960 -4.350 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.866 -5.672 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.663 -4.258 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.717 -2.909 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.875 -3.718 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.627 -4.712 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.477 -5.485 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.053 -6.214 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.305 -7.595 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.312 -7.051 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.785 -6.345 0.860 1.00 0.00 H new ATOM 981 N PRO A 61 -11.548 -1.816 -2.786 1.00 0.00 N ATOM 982 CA PRO A 61 -11.457 -0.351 -2.879 1.00 0.00 C ATOM 983 C PRO A 61 -11.128 0.354 -1.562 1.00 0.00 C ATOM 984 O PRO A 61 -10.251 1.221 -1.524 1.00 0.00 O ATOM 985 CB PRO A 61 -12.856 0.031 -3.343 1.00 0.00 C ATOM 986 CG PRO A 61 -13.294 -1.099 -4.208 1.00 0.00 C ATOM 987 CD PRO A 61 -12.530 -2.331 -3.763 1.00 0.00 C ATOM 0 HA PRO A 61 -10.643 -0.049 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.530 0.165 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.846 0.971 -3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.368 -1.259 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.093 -0.880 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.193 -3.069 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.037 -2.819 -4.604 1.00 0.00 H new ATOM 995 N SER A 62 -11.819 -0.026 -0.492 1.00 0.00 N ATOM 996 CA SER A 62 -11.645 0.625 0.802 1.00 0.00 C ATOM 997 C SER A 62 -10.212 0.483 1.320 1.00 0.00 C ATOM 998 O SER A 62 -9.649 1.438 1.849 1.00 0.00 O ATOM 999 CB SER A 62 -12.645 0.072 1.820 1.00 0.00 C ATOM 1000 OG SER A 62 -12.551 -1.337 1.919 1.00 0.00 O ATOM 0 H SER A 62 -12.505 -0.781 -0.495 1.00 0.00 H new ATOM 0 HA SER A 62 -11.838 1.689 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.460 0.521 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.657 0.352 1.528 1.00 0.00 H new ATOM 0 HG SER A 62 -13.346 -1.747 1.518 1.00 0.00 H new ATOM 1006 N THR A 63 -9.613 -0.694 1.144 1.00 0.00 N ATOM 1007 CA THR A 63 -8.239 -0.924 1.583 1.00 0.00 C ATOM 1008 C THR A 63 -7.315 -0.005 0.818 1.00 0.00 C ATOM 1009 O THR A 63 -6.539 0.731 1.411 1.00 0.00 O ATOM 1010 CB THR A 63 -7.787 -2.386 1.369 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.840 -3.278 1.753 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.541 -2.692 2.187 1.00 0.00 C ATOM 0 H THR A 63 -10.056 -1.500 0.702 1.00 0.00 H new ATOM 0 HA THR A 63 -8.197 -0.720 2.653 1.00 0.00 H new ATOM 0 HB THR A 63 -7.554 -2.523 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.685 -4.159 1.352 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.241 -3.727 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.733 -2.027 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.755 -2.542 3.245 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.460 -0.012 -0.500 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.615 0.786 -1.382 1.00 0.00 C ATOM 1022 C LEU A 64 -6.692 2.262 -1.020 1.00 0.00 C ATOM 1023 O LEU A 64 -5.697 2.976 -1.069 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.054 0.577 -2.833 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.145 -0.879 -3.252 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.318 -1.057 -4.170 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.886 -1.308 -3.959 1.00 0.00 C ATOM 0 H LEU A 64 -8.163 -0.568 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.581 0.463 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.027 1.047 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.352 1.089 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.271 -1.494 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.387 -2.102 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.233 -0.768 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.188 -0.431 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.971 -2.355 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.741 -0.694 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.034 -1.186 -3.290 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.871 2.711 -0.639 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.057 4.105 -0.275 1.00 0.00 C ATOM 1041 C ARG A 65 -7.557 4.380 1.146 1.00 0.00 C ATOM 1042 O ARG A 65 -7.213 5.515 1.480 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.523 4.512 -0.430 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.028 4.436 -1.870 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.101 5.177 -2.829 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.719 5.420 -4.134 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.348 6.399 -4.965 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.492 7.331 -4.560 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.858 6.468 -6.188 1.00 0.00 N ATOM 0 H ARG A 65 -8.711 2.137 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.461 4.713 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.139 3.867 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.650 5.530 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.108 3.392 -2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.029 4.863 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.811 6.129 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.188 4.598 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.478 4.805 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.116 7.301 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.211 8.077 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.536 5.772 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.572 7.217 -6.818 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.487 3.340 1.973 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.922 3.472 3.308 1.00 0.00 C ATOM 1065 C GLU A 66 -5.410 3.536 3.209 1.00 0.00 C ATOM 1066 O GLU A 66 -4.760 4.346 3.871 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.327 2.278 4.172 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.771 2.307 4.635 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.065 3.483 5.534 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.562 3.499 6.676 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.801 4.395 5.112 1.00 0.00 O ATOM 0 H GLU A 66 -7.813 2.402 1.741 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.300 4.385 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.156 1.361 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.677 2.240 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.427 2.345 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.998 1.382 5.166 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.867 2.667 2.363 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.440 2.616 2.093 1.00 0.00 C ATOM 1080 C LEU A 67 -2.938 3.993 1.657 1.00 0.00 C ATOM 1081 O LEU A 67 -1.894 4.471 2.105 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.173 1.604 0.977 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.838 0.259 1.177 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.490 -0.689 0.049 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.456 -0.317 2.526 1.00 0.00 C ATOM 0 H LEU A 67 -5.409 1.976 1.844 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.916 2.316 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.513 2.026 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.097 1.454 0.890 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.919 0.397 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.980 -1.648 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.829 -0.268 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.410 -0.834 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.940 -1.284 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.374 -0.443 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.778 0.362 3.316 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.721 4.621 0.783 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.384 5.908 0.198 1.00 0.00 C ATOM 1099 C GLU A 68 -3.320 7.018 1.233 1.00 0.00 C ATOM 1100 O GLU A 68 -2.259 7.592 1.471 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.422 6.281 -0.847 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.100 7.563 -1.579 1.00 0.00 C ATOM 1103 CD GLU A 68 -4.739 8.797 -0.982 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -5.978 8.914 -1.044 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.003 9.668 -0.473 1.00 0.00 O ATOM 0 H GLU A 68 -4.613 4.245 0.461 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.396 5.805 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.507 5.470 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.394 6.381 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.019 7.698 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.422 7.467 -2.616 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.476 7.327 1.824 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.585 8.401 2.813 1.00 0.00 C ATOM 1114 C ARG A 69 -3.557 8.213 3.906 1.00 0.00 C ATOM 1115 O ARG A 69 -3.119 9.167 4.554 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.985 8.414 3.423 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.167 9.489 4.476 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.108 9.036 5.577 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.653 7.801 6.218 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.375 6.682 6.265 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.580 6.648 5.716 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.896 5.600 6.866 1.00 0.00 N ATOM 0 H ARG A 69 -5.355 6.845 1.633 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.403 9.352 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.718 8.563 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.190 7.440 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.199 9.746 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.559 10.393 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.193 9.823 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.104 8.882 5.161 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.731 7.797 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.955 7.478 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.133 5.792 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.971 5.622 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.453 4.746 6.899 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.153 6.975 4.079 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.154 6.648 5.063 1.00 0.00 C ATOM 1138 C TYR A 70 -0.778 7.141 4.622 1.00 0.00 C ATOM 1139 O TYR A 70 -0.152 7.939 5.310 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.102 5.145 5.312 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.765 4.725 5.812 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.019 3.896 5.052 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.261 5.214 7.011 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.268 3.556 5.455 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.997 4.871 7.434 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.764 4.043 6.652 1.00 0.00 C ATOM 1147 OH TYR A 70 3.024 3.711 7.064 1.00 0.00 O ATOM 0 H TYR A 70 -3.504 6.178 3.548 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.431 7.148 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.867 4.868 6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.331 4.613 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.364 3.508 4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.867 5.872 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.875 2.906 4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.380 5.247 8.371 1.00 0.00 H new ATOM 0 HH TYR A 70 3.343 2.939 6.552 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.297 6.655 3.486 1.00 0.00 N ATOM 1158 CA VAL A 71 1.034 7.024 3.021 1.00 0.00 C ATOM 1159 C VAL A 71 1.097 8.495 2.756 1.00 0.00 C ATOM 1160 O VAL A 71 2.095 9.143 3.023 1.00 0.00 O ATOM 1161 CB VAL A 71 1.439 6.272 1.752 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.375 4.792 1.998 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.550 6.631 0.577 1.00 0.00 C ATOM 0 H VAL A 71 -0.801 6.012 2.875 1.00 0.00 H new ATOM 0 HA VAL A 71 1.732 6.750 3.812 1.00 0.00 H new ATOM 0 HB VAL A 71 2.459 6.566 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.664 4.260 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.056 4.528 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.358 4.513 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.870 6.076 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.483 6.375 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.623 7.700 0.379 1.00 0.00 H new ATOM 1173 N THR A 72 0.006 9.009 2.251 1.00 0.00 N ATOM 1174 CA THR A 72 -0.148 10.410 2.023 1.00 0.00 C ATOM 1175 C THR A 72 0.107 11.194 3.317 1.00 0.00 C ATOM 1176 O THR A 72 0.668 12.281 3.289 1.00 0.00 O ATOM 1177 CB THR A 72 -1.560 10.656 1.467 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.532 10.678 0.040 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.182 11.927 2.008 1.00 0.00 C ATOM 0 H THR A 72 -0.807 8.454 1.985 1.00 0.00 H new ATOM 0 HA THR A 72 0.583 10.762 1.295 1.00 0.00 H new ATOM 0 HB THR A 72 -2.188 9.830 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.373 10.316 -0.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.178 12.054 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.255 11.863 3.094 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.561 12.780 1.736 1.00 0.00 H new ATOM 1187 N SER A 73 -0.250 10.604 4.452 1.00 0.00 N ATOM 1188 CA SER A 73 -0.045 11.250 5.737 1.00 0.00 C ATOM 1189 C SER A 73 1.443 11.267 6.084 1.00 0.00 C ATOM 1190 O SER A 73 1.936 12.192 6.731 1.00 0.00 O ATOM 1191 CB SER A 73 -0.845 10.526 6.828 1.00 0.00 C ATOM 1192 OG SER A 73 -0.120 9.442 7.386 1.00 0.00 O ATOM 0 H SER A 73 -0.682 9.681 4.506 1.00 0.00 H new ATOM 0 HA SER A 73 -0.399 12.279 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.105 11.232 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.781 10.158 6.408 1.00 0.00 H new ATOM 0 HG SER A 73 0.114 8.806 6.678 1.00 0.00 H new ATOM 1198 N CYS A 74 2.152 10.241 5.622 1.00 0.00 N ATOM 1199 CA CYS A 74 3.567 10.084 5.912 1.00 0.00 C ATOM 1200 C CYS A 74 4.414 10.868 4.915 1.00 0.00 C ATOM 1201 O CYS A 74 5.425 11.472 5.269 1.00 0.00 O ATOM 1202 CB CYS A 74 3.933 8.600 5.864 1.00 0.00 C ATOM 1203 SG CYS A 74 5.636 8.232 6.350 1.00 0.00 S ATOM 0 H CYS A 74 1.761 9.501 5.039 1.00 0.00 H new ATOM 0 HA CYS A 74 3.769 10.476 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.255 8.050 6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.770 8.231 4.852 1.00 0.00 H new ATOM 0 HG CYS A 74 6.376 9.286 6.171 1.00 0.00 H new ATOM 1209 N LEU A 75 3.990 10.835 3.667 1.00 0.00 N ATOM 1210 CA LEU A 75 4.699 11.497 2.582 1.00 0.00 C ATOM 1211 C LEU A 75 4.466 13.007 2.590 1.00 0.00 C ATOM 1212 O LEU A 75 5.423 13.777 2.487 1.00 0.00 O ATOM 1213 CB LEU A 75 4.267 10.886 1.248 1.00 0.00 C ATOM 1214 CG LEU A 75 4.349 9.363 1.215 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.682 8.814 -0.045 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.794 8.895 1.315 1.00 0.00 C ATOM 0 H LEU A 75 3.143 10.348 3.373 1.00 0.00 H new ATOM 0 HA LEU A 75 5.769 11.342 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.242 11.190 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.893 11.292 0.453 1.00 0.00 H new ATOM 0 HG LEU A 75 3.811 8.974 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.752 7.726 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.633 9.111 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.185 9.213 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.826 7.806 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.365 9.295 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.227 9.249 2.251 1.00 0.00 H new ATOM 1228 N ARG A 76 3.203 13.436 2.705 1.00 0.00 N ATOM 1229 CA ARG A 76 2.891 14.860 2.763 1.00 0.00 C ATOM 1230 C ARG A 76 3.551 15.494 3.980 1.00 0.00 C ATOM 1231 O ARG A 76 4.149 16.569 3.890 1.00 0.00 O ATOM 1232 CB ARG A 76 1.382 15.121 2.803 1.00 0.00 C ATOM 1233 CG ARG A 76 0.629 14.670 1.560 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.803 15.187 1.553 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.868 16.648 1.575 1.00 0.00 N ATOM 1236 CZ ARG A 76 -2.004 17.342 1.657 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.168 16.709 1.742 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.976 18.669 1.659 1.00 0.00 N ATOM 0 H ARG A 76 2.391 12.821 2.759 1.00 0.00 H new ATOM 0 HA ARG A 76 3.283 15.312 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.961 14.613 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.215 16.189 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.149 15.025 0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.623 13.581 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.316 14.816 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.334 14.789 2.418 1.00 0.00 H new ATOM 0 HE ARG A 76 0.008 17.167 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.195 15.689 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.035 17.242 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.084 19.160 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.846 19.197 1.722 1.00 0.00 H new ATOM 1252 N LYS A 77 3.435 14.824 5.119 1.00 0.00 N ATOM 1253 CA LYS A 77 4.103 15.266 6.334 1.00 0.00 C ATOM 1254 C LYS A 77 5.277 14.350 6.665 1.00 0.00 C ATOM 1255 O LYS A 77 5.177 13.497 7.551 1.00 0.00 O ATOM 1256 CB LYS A 77 3.117 15.298 7.500 1.00 0.00 C ATOM 1257 CG LYS A 77 2.151 16.461 7.435 1.00 0.00 C ATOM 1258 CD LYS A 77 1.000 16.279 8.409 1.00 0.00 C ATOM 1259 CE LYS A 77 0.082 17.490 8.431 1.00 0.00 C ATOM 1260 NZ LYS A 77 0.777 18.714 8.913 1.00 0.00 N ATOM 0 H LYS A 77 2.884 13.972 5.226 1.00 0.00 H new ATOM 0 HA LYS A 77 4.485 16.273 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.552 14.366 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.673 15.349 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.679 17.388 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.761 16.556 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.427 15.394 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.395 16.104 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.308 17.667 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.774 17.283 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.074 19.447 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.326 18.488 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.418 19.064 8.172 1.00 0.00 H new ATOM 1274 N LYS A 78 6.395 14.522 5.964 1.00 0.00 N ATOM 1275 CA LYS A 78 7.547 13.673 6.194 1.00 0.00 C ATOM 1276 C LYS A 78 8.336 14.214 7.371 1.00 0.00 C ATOM 1277 O LYS A 78 8.652 15.405 7.413 1.00 0.00 O ATOM 1278 CB LYS A 78 8.436 13.594 4.953 1.00 0.00 C ATOM 1279 CG LYS A 78 9.485 12.501 5.054 1.00 0.00 C ATOM 1280 CD LYS A 78 8.857 11.118 4.948 1.00 0.00 C ATOM 1281 CE LYS A 78 9.897 10.014 5.069 1.00 0.00 C ATOM 1282 NZ LYS A 78 10.911 10.082 3.984 1.00 0.00 N ATOM 0 H LYS A 78 6.522 15.233 5.243 1.00 0.00 H new ATOM 0 HA LYS A 78 7.199 12.664 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.814 13.415 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.930 14.554 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.223 12.629 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.015 12.590 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.107 10.998 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.339 11.026 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.395 10.090 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.401 9.044 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.475 9.208 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.432 10.189 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.537 10.897 4.144 1.00 0.00 H new ATOM 1296 N ARG A 79 8.653 13.336 8.316 1.00 0.00 N ATOM 1297 CA ARG A 79 9.228 13.747 9.588 1.00 0.00 C ATOM 1298 C ARG A 79 8.258 14.701 10.274 1.00 0.00 C ATOM 1299 O ARG A 79 8.508 15.905 10.384 1.00 0.00 O ATOM 1300 CB ARG A 79 10.606 14.386 9.399 1.00 0.00 C ATOM 1301 CG ARG A 79 11.268 14.830 10.697 1.00 0.00 C ATOM 1302 CD ARG A 79 11.448 13.672 11.666 1.00 0.00 C ATOM 1303 NE ARG A 79 11.984 14.116 12.948 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.202 13.311 13.982 1.00 0.00 C ATOM 1305 NH1 ARG A 79 11.924 12.014 13.895 1.00 0.00 N ATOM 1306 NH2 ARG A 79 12.694 13.806 15.106 1.00 0.00 N ATOM 0 H ARG A 79 8.520 12.329 8.222 1.00 0.00 H new ATOM 0 HA ARG A 79 9.379 12.871 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.259 13.673 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.507 15.249 8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.239 15.273 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.663 15.606 11.166 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.489 13.178 11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.119 12.933 11.228 1.00 0.00 H new ATOM 0 HE ARG A 79 12.205 15.106 13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.541 11.631 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.094 11.401 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.904 14.802 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.863 13.192 15.903 1.00 0.00 H new ATOM 1320 N LYS A 80 7.133 14.130 10.691 1.00 0.00 N ATOM 1321 CA LYS A 80 6.018 14.881 11.281 1.00 0.00 C ATOM 1322 C LYS A 80 6.501 15.904 12.308 1.00 0.00 C ATOM 1323 O LYS A 80 7.098 15.532 13.322 1.00 0.00 O ATOM 1324 CB LYS A 80 5.038 13.915 11.952 1.00 0.00 C ATOM 1325 CG LYS A 80 4.453 12.879 11.004 1.00 0.00 C ATOM 1326 CD LYS A 80 3.376 12.043 11.681 1.00 0.00 C ATOM 1327 CE LYS A 80 3.923 11.250 12.859 1.00 0.00 C ATOM 1328 NZ LYS A 80 2.847 10.532 13.592 1.00 0.00 N ATOM 0 H LYS A 80 6.963 13.126 10.631 1.00 0.00 H new ATOM 0 HA LYS A 80 5.522 15.420 10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.549 13.401 12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.224 14.488 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.031 13.380 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.248 12.226 10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.574 12.696 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.940 11.358 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.661 10.531 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.440 11.924 13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.261 10.004 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.156 11.219 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.370 9.870 12.947 1.00 0.00 H new ATOM 1342 N PRO A 81 6.275 17.208 12.044 1.00 0.00 N ATOM 1343 CA PRO A 81 6.621 18.280 12.988 1.00 0.00 C ATOM 1344 C PRO A 81 5.970 18.073 14.349 1.00 0.00 C ATOM 1345 O PRO A 81 4.750 18.202 14.499 1.00 0.00 O ATOM 1346 CB PRO A 81 6.068 19.545 12.323 1.00 0.00 C ATOM 1347 CG PRO A 81 5.987 19.214 10.875 1.00 0.00 C ATOM 1348 CD PRO A 81 5.675 17.746 10.801 1.00 0.00 C ATOM 0 HA PRO A 81 7.693 18.322 13.179 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.088 19.806 12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.721 20.400 12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.212 19.802 10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.927 19.439 10.370 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.601 17.564 10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.109 17.287 9.913 1.00 0.00 H new ATOM 1356 N GLN A 82 6.786 17.751 15.339 1.00 0.00 N ATOM 1357 CA GLN A 82 6.297 17.508 16.683 1.00 0.00 C ATOM 1358 C GLN A 82 6.231 18.821 17.452 1.00 0.00 C ATOM 1359 O GLN A 82 6.957 19.033 18.429 1.00 0.00 O ATOM 1360 CB GLN A 82 7.200 16.499 17.400 1.00 0.00 C ATOM 1361 CG GLN A 82 6.611 15.936 18.689 1.00 0.00 C ATOM 1362 CD GLN A 82 5.360 15.103 18.460 1.00 0.00 C ATOM 1363 OE1 GLN A 82 4.587 15.348 17.535 1.00 0.00 O ATOM 1364 NE2 GLN A 82 5.159 14.102 19.300 1.00 0.00 N ATOM 0 H GLN A 82 7.796 17.652 15.234 1.00 0.00 H new ATOM 0 HA GLN A 82 5.293 17.086 16.630 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.414 15.674 16.721 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.152 16.979 17.628 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.362 15.323 19.187 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.374 16.759 19.363 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.822 13.929 20.056 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.341 13.502 19.192 1.00 0.00 H new ATOM 1373 N ALA A 83 5.371 19.710 16.983 1.00 0.00 N ATOM 1374 CA ALA A 83 5.196 21.013 17.592 1.00 0.00 C ATOM 1375 C ALA A 83 3.716 21.355 17.676 1.00 0.00 C ATOM 1376 O ALA A 83 3.119 21.127 18.746 1.00 0.00 O ATOM 1377 CB ALA A 83 5.950 22.072 16.802 1.00 0.00 C ATOM 1378 OXT ALA A 83 3.150 21.823 16.664 1.00 0.00 O ATOM 0 H ALA A 83 4.776 19.547 16.170 1.00 0.00 H new ATOM 0 HA ALA A 83 5.603 20.988 18.603 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.809 23.045 17.272 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.012 21.827 16.787 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.570 22.103 15.781 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 1.910 -6.822 -11.021 1.00 0.00 N ATOM 1386 CA LYS B 201 2.431 -5.440 -11.125 1.00 0.00 C ATOM 1387 C LYS B 201 3.269 -5.109 -9.899 1.00 0.00 C ATOM 1388 O LYS B 201 4.488 -4.959 -9.981 1.00 0.00 O ATOM 1389 CB LYS B 201 1.280 -4.428 -11.230 1.00 0.00 C ATOM 1390 CG LYS B 201 0.257 -4.746 -12.309 1.00 0.00 C ATOM 1391 CD LYS B 201 -0.851 -3.702 -12.336 1.00 0.00 C ATOM 1392 CE LYS B 201 -1.927 -4.038 -13.358 1.00 0.00 C ATOM 1393 NZ LYS B 201 -1.369 -4.198 -14.725 1.00 0.00 N ATOM 0 HA LYS B 201 3.044 -5.376 -12.024 1.00 0.00 H new ATOM 0 HB2 LYS B 201 0.770 -4.376 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS B 201 1.698 -3.440 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.749 -4.785 -13.281 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -0.172 -5.732 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.302 -3.626 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -0.424 -2.726 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -2.432 -4.958 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -2.679 -3.249 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -2.147 -4.257 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -0.767 -3.381 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -0.801 -5.068 -14.769 1.00 0.00 H new ATOM 1409 N TRP B 202 2.596 -5.017 -8.761 1.00 0.00 N ATOM 1410 CA TRP B 202 3.235 -4.695 -7.496 1.00 0.00 C ATOM 1411 C TRP B 202 3.598 -5.988 -6.776 1.00 0.00 C ATOM 1412 O TRP B 202 3.273 -6.197 -5.607 1.00 0.00 O ATOM 1413 CB TRP B 202 2.271 -3.851 -6.665 1.00 0.00 C ATOM 1414 CG TRP B 202 2.881 -3.204 -5.464 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.139 -2.691 -5.345 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.230 -2.972 -4.218 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.309 -2.152 -4.093 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.150 -2.314 -3.382 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.954 -3.260 -3.727 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.833 -1.935 -2.083 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.646 -2.880 -2.435 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.579 -2.226 -1.628 1.00 0.00 C ATOM 0 H TRP B 202 1.589 -5.164 -8.690 1.00 0.00 H new ATOM 0 HA TRP B 202 4.151 -4.126 -7.657 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.847 -3.075 -7.303 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.445 -4.483 -6.340 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.891 -2.706 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.159 -1.705 -3.749 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.226 -3.767 -4.343 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.552 -1.429 -1.456 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.337 -3.093 -2.041 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.303 -1.944 -0.623 1.00 0.00 H new ATOM 1433 N THR B 203 4.268 -6.859 -7.501 1.00 0.00 N ATOM 1434 CA THR B 203 4.541 -8.201 -7.042 1.00 0.00 C ATOM 1435 C THR B 203 5.823 -8.282 -6.216 1.00 0.00 C ATOM 1436 O THR B 203 6.362 -7.259 -5.778 1.00 0.00 O ATOM 1437 CB THR B 203 4.621 -9.153 -8.244 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.521 -8.398 -9.462 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.506 -10.182 -8.187 1.00 0.00 C ATOM 0 H THR B 203 4.639 -6.653 -8.429 1.00 0.00 H new ATOM 0 HA THR B 203 3.721 -8.500 -6.389 1.00 0.00 H new ATOM 0 HB THR B 203 5.577 -9.676 -8.213 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.574 -9.006 -10.229 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.580 -10.847 -9.047 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.595 -10.764 -7.270 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.541 -9.675 -8.203 1.00 0.00 H new ATOM 1447 N LEU B 204 6.268 -9.518 -5.987 1.00 0.00 N ATOM 1448 CA LEU B 204 7.438 -9.827 -5.164 1.00 0.00 C ATOM 1449 C LEU B 204 8.596 -8.869 -5.428 1.00 0.00 C ATOM 1450 O LEU B 204 9.161 -8.311 -4.489 1.00 0.00 O ATOM 1451 CB LEU B 204 7.860 -11.280 -5.435 1.00 0.00 C ATOM 1452 CG LEU B 204 8.763 -11.939 -4.383 1.00 0.00 C ATOM 1453 CD1 LEU B 204 8.710 -13.450 -4.521 1.00 0.00 C ATOM 1454 CD2 LEU B 204 10.197 -11.468 -4.520 1.00 0.00 C ATOM 0 H LEU B 204 5.818 -10.347 -6.375 1.00 0.00 H new ATOM 0 HA LEU B 204 7.169 -9.705 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU B 204 6.958 -11.884 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.375 -11.312 -6.395 1.00 0.00 H new ATOM 0 HG LEU B 204 8.396 -11.649 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.354 -13.907 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU B 204 7.685 -13.793 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU B 204 9.052 -13.737 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU B 204 10.813 -11.952 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU B 204 10.572 -11.726 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU B 204 10.239 -10.387 -4.386 1.00 0.00 H new ATOM 1466 N GLU B 205 8.934 -8.673 -6.696 1.00 0.00 N ATOM 1467 CA GLU B 205 10.057 -7.818 -7.060 1.00 0.00 C ATOM 1468 C GLU B 205 9.882 -6.411 -6.497 1.00 0.00 C ATOM 1469 O GLU B 205 10.635 -5.988 -5.619 1.00 0.00 O ATOM 1470 CB GLU B 205 10.210 -7.748 -8.579 1.00 0.00 C ATOM 1471 CG GLU B 205 10.431 -9.097 -9.239 1.00 0.00 C ATOM 1472 CD GLU B 205 10.586 -8.981 -10.739 1.00 0.00 C ATOM 1473 OE1 GLU B 205 11.733 -9.043 -11.226 1.00 0.00 O ATOM 1474 OE2 GLU B 205 9.564 -8.816 -11.439 1.00 0.00 O ATOM 0 H GLU B 205 8.448 -9.093 -7.488 1.00 0.00 H new ATOM 0 HA GLU B 205 10.958 -8.256 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.317 -7.289 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU B 205 11.049 -7.095 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.322 -9.564 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU B 205 9.590 -9.753 -9.012 1.00 0.00 H new ATOM 1481 N ARG B 206 8.865 -5.717 -6.987 1.00 0.00 N ATOM 1482 CA ARG B 206 8.627 -4.325 -6.636 1.00 0.00 C ATOM 1483 C ARG B 206 8.519 -4.136 -5.123 1.00 0.00 C ATOM 1484 O ARG B 206 9.349 -3.458 -4.510 1.00 0.00 O ATOM 1485 CB ARG B 206 7.348 -3.832 -7.320 1.00 0.00 C ATOM 1486 CG ARG B 206 7.107 -2.337 -7.184 1.00 0.00 C ATOM 1487 CD ARG B 206 8.147 -1.527 -7.942 1.00 0.00 C ATOM 1488 NE ARG B 206 8.142 -1.830 -9.372 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.528 -0.976 -10.320 1.00 0.00 C ATOM 1490 NH1 ARG B 206 8.928 0.251 -9.999 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.505 -1.351 -11.594 1.00 0.00 N ATOM 0 H ARG B 206 8.182 -6.103 -7.639 1.00 0.00 H new ATOM 0 HA ARG B 206 9.478 -3.739 -6.983 1.00 0.00 H new ATOM 0 HB2 ARG B 206 7.394 -4.087 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.496 -4.366 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.113 -2.093 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG B 206 7.128 -2.060 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG B 206 7.955 -0.464 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG B 206 9.136 -1.732 -7.532 1.00 0.00 H new ATOM 0 HE ARG B 206 7.823 -2.754 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG B 206 8.941 0.544 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG B 206 9.222 0.899 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.193 -2.289 -11.844 1.00 0.00 H new ATOM 0 HH22 ARG B 206 8.800 -0.701 -12.322 1.00 0.00 H new ATOM 1505 N LEU B 207 7.510 -4.755 -4.521 1.00 0.00 N ATOM 1506 CA LEU B 207 7.226 -4.535 -3.111 1.00 0.00 C ATOM 1507 C LEU B 207 8.289 -5.145 -2.213 1.00 0.00 C ATOM 1508 O LEU B 207 8.999 -4.424 -1.527 1.00 0.00 O ATOM 1509 CB LEU B 207 5.854 -5.094 -2.728 1.00 0.00 C ATOM 1510 CG LEU B 207 5.534 -5.051 -1.226 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.648 -3.636 -0.682 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.149 -5.598 -0.967 1.00 0.00 C ATOM 0 H LEU B 207 6.879 -5.409 -4.985 1.00 0.00 H new ATOM 0 HA LEU B 207 7.228 -3.455 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.087 -4.534 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.791 -6.128 -3.069 1.00 0.00 H new ATOM 0 HG LEU B 207 6.264 -5.674 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.416 -3.636 0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.663 -3.269 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.946 -2.987 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.937 -5.561 0.102 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.414 -4.998 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.095 -6.631 -1.312 1.00 0.00 H new ATOM 1524 N LYS B 208 8.411 -6.468 -2.246 1.00 0.00 N ATOM 1525 CA LYS B 208 9.223 -7.187 -1.266 1.00 0.00 C ATOM 1526 C LYS B 208 10.670 -6.703 -1.262 1.00 0.00 C ATOM 1527 O LYS B 208 11.280 -6.550 -0.199 1.00 0.00 O ATOM 1528 CB LYS B 208 9.175 -8.693 -1.538 1.00 0.00 C ATOM 1529 CG LYS B 208 10.038 -9.515 -0.594 1.00 0.00 C ATOM 1530 CD LYS B 208 10.121 -10.971 -1.027 1.00 0.00 C ATOM 1531 CE LYS B 208 9.006 -11.824 -0.437 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.650 -11.401 -0.879 1.00 0.00 N ATOM 0 H LYS B 208 7.959 -7.065 -2.939 1.00 0.00 H new ATOM 0 HA LYS B 208 8.802 -6.984 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.143 -9.034 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.496 -8.878 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.041 -9.090 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.629 -9.459 0.415 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.078 -11.025 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.085 -11.381 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS B 208 9.165 -12.865 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS B 208 9.058 -11.777 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.056 -12.241 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.219 -10.799 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.726 -10.866 -1.768 1.00 0.00 H new ATOM 1546 N ARG B 209 11.213 -6.435 -2.441 1.00 0.00 N ATOM 1547 CA ARG B 209 12.606 -6.031 -2.542 1.00 0.00 C ATOM 1548 C ARG B 209 12.805 -4.608 -2.037 1.00 0.00 C ATOM 1549 O ARG B 209 13.705 -4.355 -1.239 1.00 0.00 O ATOM 1550 CB ARG B 209 13.111 -6.175 -3.975 1.00 0.00 C ATOM 1551 CG ARG B 209 13.603 -7.576 -4.316 1.00 0.00 C ATOM 1552 CD ARG B 209 12.527 -8.641 -4.138 1.00 0.00 C ATOM 1553 NE ARG B 209 13.026 -9.972 -4.491 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.218 -10.404 -5.741 1.00 0.00 C ATOM 1555 NH1 ARG B 209 13.023 -9.592 -6.775 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.629 -11.648 -5.956 1.00 0.00 N ATOM 0 H ARG B 209 10.717 -6.489 -3.330 1.00 0.00 H new ATOM 0 HA ARG B 209 13.192 -6.695 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.309 -5.905 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.922 -5.466 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.955 -7.591 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.457 -7.820 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.183 -8.643 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.666 -8.397 -4.760 1.00 0.00 H new ATOM 0 HE ARG B 209 13.242 -10.615 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.724 -8.629 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.172 -9.931 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.798 -12.273 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.776 -11.979 -6.910 1.00 0.00 H new ATOM 1570 N LYS B 210 11.949 -3.684 -2.471 1.00 0.00 N ATOM 1571 CA LYS B 210 12.074 -2.291 -2.051 1.00 0.00 C ATOM 1572 C LYS B 210 11.580 -2.108 -0.616 1.00 0.00 C ATOM 1573 O LYS B 210 11.823 -1.077 0.011 1.00 0.00 O ATOM 1574 CB LYS B 210 11.309 -1.375 -3.006 1.00 0.00 C ATOM 1575 CG LYS B 210 11.864 -1.387 -4.420 1.00 0.00 C ATOM 1576 CD LYS B 210 11.056 -0.498 -5.347 1.00 0.00 C ATOM 1577 CE LYS B 210 11.644 -0.473 -6.749 1.00 0.00 C ATOM 1578 NZ LYS B 210 13.020 0.092 -6.768 1.00 0.00 N ATOM 0 H LYS B 210 11.172 -3.872 -3.105 1.00 0.00 H new ATOM 0 HA LYS B 210 13.129 -2.018 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS B 210 10.263 -1.679 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS B 210 11.336 -0.356 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS B 210 12.901 -1.052 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.864 -2.408 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS B 210 10.027 -0.855 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS B 210 11.026 0.515 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS B 210 11.663 -1.486 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS B 210 11.001 0.118 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.292 0.311 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.046 0.962 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 13.686 -0.602 -6.371 1.00 0.00 H new ATOM 1592 N TYR B 211 10.882 -3.116 -0.114 1.00 0.00 N ATOM 1593 CA TYR B 211 10.415 -3.136 1.265 1.00 0.00 C ATOM 1594 C TYR B 211 11.590 -3.380 2.207 1.00 0.00 C ATOM 1595 O TYR B 211 11.736 -2.702 3.226 1.00 0.00 O ATOM 1596 CB TYR B 211 9.360 -4.244 1.422 1.00 0.00 C ATOM 1597 CG TYR B 211 8.708 -4.356 2.784 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.361 -4.065 2.938 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.418 -4.774 3.905 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.741 -4.183 4.166 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.806 -4.889 5.138 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.466 -4.593 5.262 1.00 0.00 C ATOM 1603 OH TYR B 211 6.847 -4.711 6.486 1.00 0.00 O ATOM 0 H TYR B 211 10.623 -3.944 -0.651 1.00 0.00 H new ATOM 0 HA TYR B 211 9.966 -2.175 1.517 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.578 -4.081 0.680 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.829 -5.200 1.187 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.787 -3.740 2.083 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.467 -5.013 3.809 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.690 -3.954 4.266 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.374 -5.209 5.999 1.00 0.00 H new ATOM 0 HH TYR B 211 7.498 -5.012 7.154 1.00 0.00 H new ATOM 1613 N ARG B 212 12.428 -4.348 1.859 1.00 0.00 N ATOM 1614 CA ARG B 212 13.536 -4.733 2.722 1.00 0.00 C ATOM 1615 C ARG B 212 14.806 -3.946 2.408 1.00 0.00 C ATOM 1616 O ARG B 212 15.498 -3.492 3.319 1.00 0.00 O ATOM 1617 CB ARG B 212 13.796 -6.235 2.616 1.00 0.00 C ATOM 1618 CG ARG B 212 12.612 -7.079 3.062 1.00 0.00 C ATOM 1619 CD ARG B 212 12.929 -8.563 3.023 1.00 0.00 C ATOM 1620 NE ARG B 212 13.966 -8.935 3.987 1.00 0.00 N ATOM 1621 CZ ARG B 212 14.407 -10.180 4.164 1.00 0.00 C ATOM 1622 NH1 ARG B 212 13.862 -11.183 3.492 1.00 0.00 N ATOM 1623 NH2 ARG B 212 15.367 -10.426 5.045 1.00 0.00 N ATOM 0 H ARG B 212 12.362 -4.878 0.990 1.00 0.00 H new ATOM 0 HA ARG B 212 13.251 -4.493 3.746 1.00 0.00 H new ATOM 0 HB2 ARG B 212 14.043 -6.483 1.584 1.00 0.00 H new ATOM 0 HB3 ARG B 212 14.665 -6.491 3.222 1.00 0.00 H new ATOM 0 HG2 ARG B 212 12.325 -6.795 4.075 1.00 0.00 H new ATOM 0 HG3 ARG B 212 11.757 -6.873 2.419 1.00 0.00 H new ATOM 0 HD2 ARG B 212 12.022 -9.131 3.230 1.00 0.00 H new ATOM 0 HD3 ARG B 212 13.254 -8.837 2.019 1.00 0.00 H new ATOM 0 HE ARG B 212 14.376 -8.196 4.558 1.00 0.00 H new ATOM 0 HH11 ARG B 212 13.102 -11.004 2.836 1.00 0.00 H new ATOM 0 HH12 ARG B 212 14.203 -12.134 3.631 1.00 0.00 H new ATOM 0 HH21 ARG B 212 15.769 -9.662 5.588 1.00 0.00 H new ATOM 0 HH22 ARG B 212 15.704 -11.379 5.180 1.00 0.00 H new ATOM 1637 N ASN B 213 15.109 -3.770 1.129 1.00 0.00 N ATOM 1638 CA ASN B 213 16.325 -3.070 0.737 1.00 0.00 C ATOM 1639 C ASN B 213 16.076 -2.197 -0.487 1.00 0.00 C ATOM 1640 O ASN B 213 15.701 -1.019 -0.304 1.00 0.00 O ATOM 1641 CB ASN B 213 17.448 -4.073 0.461 1.00 0.00 C ATOM 1642 CG ASN B 213 18.740 -3.412 0.014 1.00 0.00 C ATOM 1643 OD1 ASN B 213 19.030 -2.266 0.362 1.00 0.00 O ATOM 1644 ND2 ASN B 213 19.535 -4.143 -0.749 1.00 0.00 N ATOM 1645 OXT ASN B 213 16.248 -2.685 -1.622 1.00 0.00 O ATOM 0 H ASN B 213 14.536 -4.099 0.352 1.00 0.00 H new ATOM 0 HA ASN B 213 16.629 -2.422 1.559 1.00 0.00 H new ATOM 0 HB2 ASN B 213 17.638 -4.655 1.363 1.00 0.00 H new ATOM 0 HB3 ASN B 213 17.121 -4.774 -0.307 1.00 0.00 H new ATOM 0 HD21 ASN B 213 20.425 -3.762 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN B 213 19.259 -5.088 -1.015 1.00 0.00 H new TER 1652 ASN B 213