USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= -0.957 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.04 K(o=-2,f=1.9) USER MOD Set 2.1: A 29 MET CE :methyl -154:sc= -1.84 (180deg=-2.34) USER MOD Set 2.2: A 70 SER OG : rot 74:sc= 1.08 USER MOD Set 3.1: A 36 THR OG1 : rot 111:sc= -0.484 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0.529 USER MOD Single : A 1 MET CE :methyl 172:sc= -9.12! (180deg=-9.21!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.136 X(o=0.14,f=-0.16) USER MOD Single : A 8 CYS SG : rot 67:sc= 1.06 USER MOD Single : A -1 SER OG : rot 180:sc= -0.0686 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.016) USER MOD Single : A 12 HIS : no HE2:sc= 0.448 K(o=0.45,f=-6!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.68 (180deg=-1.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -35:sc= 0.832 USER MOD Single : A 23 SER OG : rot 180:sc= -0.73 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 136:sc= -0.0823 (180deg=-0.848) USER MOD Single : A 28 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-7.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.897 K(o=-0.9,f=-0.19) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -4.33! K(o=-4.3!,f=-0.8) USER MOD Single : A 50 GLN : amide:sc= -1.33! K(o=-1.3!,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 55 MET CE :methyl 137:sc= -0.128 (180deg=-0.698) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -166:sc= -10.1! (180deg=-12.2!) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.035 (180deg=-0.252) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0565 K(o=-0.056,f=-1.2) USER MOD Single : A 67 SER OG : rot -130:sc= -0.0171 USER MOD Single : A 68 TYR OH : rot 88:sc= -2.09 USER MOD Single : A 73 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.31) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.34 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 39:sc= 0.0933 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 11.676 -19.161 -5.256 1.00 0.00 N ATOM 2 CA GLY A -5 12.209 -18.084 -6.120 1.00 0.00 C ATOM 3 C GLY A -5 12.232 -16.744 -5.411 1.00 0.00 C ATOM 4 O GLY A -5 11.270 -16.387 -4.731 1.00 0.00 O ATOM 0 H1 GLY A -5 11.678 -20.059 -5.780 1.00 0.00 H new ATOM 0 H2 GLY A -5 12.272 -19.253 -4.409 1.00 0.00 H new ATOM 0 H3 GLY A -5 10.703 -18.928 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A -5 13.219 -18.342 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A -5 11.600 -18.007 -7.020 1.00 0.00 H new ATOM 10 N PRO A -4 13.331 -15.986 -5.539 1.00 0.00 N ATOM 11 CA PRO A -4 13.486 -14.688 -4.901 1.00 0.00 C ATOM 12 C PRO A -4 13.113 -13.521 -5.822 1.00 0.00 C ATOM 13 O PRO A -4 13.920 -12.625 -6.083 1.00 0.00 O ATOM 14 CB PRO A -4 14.980 -14.675 -4.586 1.00 0.00 C ATOM 15 CG PRO A -4 15.618 -15.480 -5.680 1.00 0.00 C ATOM 16 CD PRO A -4 14.533 -16.332 -6.302 1.00 0.00 C ATOM 0 HA PRO A -4 12.834 -14.561 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A -4 15.370 -13.657 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A -4 15.180 -15.111 -3.607 1.00 0.00 H new ATOM 0 HG2 PRO A -4 16.068 -14.825 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A -4 16.417 -16.105 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A -4 14.410 -16.111 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A -4 14.765 -17.394 -6.222 1.00 0.00 H new ATOM 24 N LEU A -3 11.888 -13.530 -6.317 1.00 0.00 N ATOM 25 CA LEU A -3 11.420 -12.471 -7.199 1.00 0.00 C ATOM 26 C LEU A -3 9.937 -12.189 -6.957 1.00 0.00 C ATOM 27 O LEU A -3 9.073 -12.597 -7.737 1.00 0.00 O ATOM 28 CB LEU A -3 11.661 -12.851 -8.666 1.00 0.00 C ATOM 29 CG LEU A -3 11.516 -11.709 -9.673 1.00 0.00 C ATOM 30 CD1 LEU A -3 12.529 -10.612 -9.392 1.00 0.00 C ATOM 31 CD2 LEU A -3 11.672 -12.225 -11.095 1.00 0.00 C ATOM 0 H LEU A -3 11.199 -14.257 -6.125 1.00 0.00 H new ATOM 0 HA LEU A -3 11.983 -11.564 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A -3 12.665 -13.266 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A -3 10.963 -13.643 -8.938 1.00 0.00 H new ATOM 0 HG LEU A -3 10.516 -11.288 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A -3 12.408 -9.810 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A -3 12.370 -10.218 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A -3 13.537 -11.020 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A -3 11.565 -11.397 -11.796 1.00 0.00 H new ATOM 0 HD22 LEU A -3 12.658 -12.676 -11.212 1.00 0.00 H new ATOM 0 HD23 LEU A -3 10.905 -12.973 -11.297 1.00 0.00 H new ATOM 43 N GLY A -2 9.648 -11.508 -5.861 1.00 0.00 N ATOM 44 CA GLY A -2 8.272 -11.195 -5.526 1.00 0.00 C ATOM 45 C GLY A -2 7.949 -9.727 -5.705 1.00 0.00 C ATOM 46 O GLY A -2 7.909 -8.969 -4.734 1.00 0.00 O ATOM 0 H GLY A -2 10.340 -11.165 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A -2 7.606 -11.789 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A -2 8.079 -11.482 -4.492 1.00 0.00 H new ATOM 50 N SER A -1 7.707 -9.322 -6.945 1.00 0.00 N ATOM 51 CA SER A -1 7.375 -7.936 -7.256 1.00 0.00 C ATOM 52 C SER A -1 6.591 -7.863 -8.565 1.00 0.00 C ATOM 53 O SER A -1 6.450 -8.867 -9.266 1.00 0.00 O ATOM 54 CB SER A -1 8.650 -7.090 -7.360 1.00 0.00 C ATOM 55 OG SER A -1 9.366 -7.090 -6.138 1.00 0.00 O ATOM 0 H SER A -1 7.735 -9.938 -7.758 1.00 0.00 H new ATOM 0 HA SER A -1 6.757 -7.539 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A -1 9.284 -7.480 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.390 -6.067 -7.632 1.00 0.00 H new ATOM 0 HG SER A -1 10.175 -6.545 -6.233 1.00 0.00 H new ATOM 61 N MET A 1 6.080 -6.677 -8.889 1.00 0.00 N ATOM 62 CA MET A 1 5.315 -6.478 -10.118 1.00 0.00 C ATOM 63 C MET A 1 6.234 -6.365 -11.327 1.00 0.00 C ATOM 64 O MET A 1 7.320 -6.951 -11.358 1.00 0.00 O ATOM 65 CB MET A 1 4.433 -5.226 -10.015 1.00 0.00 C ATOM 66 CG MET A 1 5.194 -3.937 -9.723 1.00 0.00 C ATOM 67 SD MET A 1 5.736 -3.836 -8.014 1.00 0.00 S ATOM 68 CE MET A 1 4.156 -3.902 -7.179 1.00 0.00 C ATOM 0 H MET A 1 6.182 -5.839 -8.317 1.00 0.00 H new ATOM 0 HA MET A 1 4.675 -7.351 -10.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.885 -5.105 -10.950 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.693 -5.382 -9.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.061 -3.873 -10.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.557 -3.082 -9.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.316 -3.993 -6.105 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.596 -2.990 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.591 -4.763 -7.536 1.00 0.00 H new ATOM 78 N ASP A 2 5.797 -5.604 -12.316 1.00 0.00 N ATOM 79 CA ASP A 2 6.579 -5.400 -13.523 1.00 0.00 C ATOM 80 C ASP A 2 7.639 -4.343 -13.291 1.00 0.00 C ATOM 81 O ASP A 2 7.340 -3.249 -12.824 1.00 0.00 O ATOM 82 CB ASP A 2 5.679 -5.009 -14.691 1.00 0.00 C ATOM 83 CG ASP A 2 6.462 -4.797 -15.965 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.039 -5.772 -16.483 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.517 -3.650 -16.447 1.00 0.00 O ATOM 0 H ASP A 2 4.902 -5.116 -12.306 1.00 0.00 H new ATOM 0 HA ASP A 2 7.073 -6.338 -13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.933 -5.788 -14.850 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.139 -4.096 -14.442 1.00 0.00 H new ATOM 90 N ALA A 3 8.877 -4.696 -13.599 1.00 0.00 N ATOM 91 CA ALA A 3 10.006 -3.800 -13.414 1.00 0.00 C ATOM 92 C ALA A 3 9.839 -2.527 -14.228 1.00 0.00 C ATOM 93 O ALA A 3 10.089 -1.432 -13.732 1.00 0.00 O ATOM 94 CB ALA A 3 11.304 -4.501 -13.780 1.00 0.00 C ATOM 0 H ALA A 3 9.126 -5.608 -13.983 1.00 0.00 H new ATOM 0 HA ALA A 3 10.044 -3.520 -12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.140 -3.817 -13.636 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.437 -5.376 -13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.267 -4.814 -14.823 1.00 0.00 H new ATOM 100 N LYS A 4 9.409 -2.672 -15.477 1.00 0.00 N ATOM 101 CA LYS A 4 9.201 -1.520 -16.353 1.00 0.00 C ATOM 102 C LYS A 4 8.104 -0.612 -15.783 1.00 0.00 C ATOM 103 O LYS A 4 8.238 0.612 -15.786 1.00 0.00 O ATOM 104 CB LYS A 4 8.840 -1.972 -17.771 1.00 0.00 C ATOM 105 CG LYS A 4 8.710 -0.822 -18.759 1.00 0.00 C ATOM 106 CD LYS A 4 10.051 -0.159 -19.045 1.00 0.00 C ATOM 107 CE LYS A 4 9.889 1.036 -19.975 1.00 0.00 C ATOM 108 NZ LYS A 4 11.195 1.639 -20.354 1.00 0.00 N ATOM 0 H LYS A 4 9.198 -3.573 -15.906 1.00 0.00 H new ATOM 0 HA LYS A 4 10.132 -0.955 -16.405 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.603 -2.664 -18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.900 -2.522 -17.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.283 -1.192 -19.691 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.017 -0.080 -18.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.506 0.165 -18.109 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.729 -0.884 -19.495 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.361 0.723 -20.876 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.271 1.791 -19.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.033 2.448 -20.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.689 1.963 -19.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.777 0.929 -20.842 1.00 0.00 H new ATOM 122 N ALA A 5 7.040 -1.217 -15.268 1.00 0.00 N ATOM 123 CA ALA A 5 5.945 -0.473 -14.667 1.00 0.00 C ATOM 124 C ALA A 5 6.401 0.178 -13.366 1.00 0.00 C ATOM 125 O ALA A 5 6.310 1.396 -13.205 1.00 0.00 O ATOM 126 CB ALA A 5 4.808 -1.432 -14.401 1.00 0.00 C ATOM 0 H ALA A 5 6.914 -2.229 -15.256 1.00 0.00 H new ATOM 0 HA ALA A 5 5.616 0.316 -15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.975 -0.893 -13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.483 -1.881 -15.340 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.144 -2.215 -13.722 1.00 0.00 H new ATOM 132 N ARG A 6 6.897 -0.656 -12.447 1.00 0.00 N ATOM 133 CA ARG A 6 7.369 -0.198 -11.140 1.00 0.00 C ATOM 134 C ARG A 6 8.420 0.907 -11.270 1.00 0.00 C ATOM 135 O ARG A 6 8.494 1.815 -10.438 1.00 0.00 O ATOM 136 CB ARG A 6 7.944 -1.375 -10.351 1.00 0.00 C ATOM 137 CG ARG A 6 8.128 -1.067 -8.872 1.00 0.00 C ATOM 138 CD ARG A 6 8.949 -2.136 -8.180 1.00 0.00 C ATOM 139 NE ARG A 6 10.358 -2.082 -8.578 1.00 0.00 N ATOM 140 CZ ARG A 6 11.327 -2.790 -8.007 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.068 -3.591 -6.989 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.569 -2.686 -8.441 1.00 0.00 N ATOM 0 H ARG A 6 6.982 -1.663 -12.588 1.00 0.00 H new ATOM 0 HA ARG A 6 6.515 0.218 -10.606 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.282 -2.235 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.905 -1.658 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.618 -0.100 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.153 -0.988 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.871 -2.012 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.541 -3.118 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 6 10.612 -1.459 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.116 -3.671 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.820 -4.129 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.787 -2.061 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.310 -3.231 -8.001 1.00 0.00 H new ATOM 156 N ASN A 7 9.227 0.829 -12.317 1.00 0.00 N ATOM 157 CA ASN A 7 10.262 1.822 -12.552 1.00 0.00 C ATOM 158 C ASN A 7 9.664 3.121 -13.028 1.00 0.00 C ATOM 159 O ASN A 7 10.001 4.157 -12.505 1.00 0.00 O ATOM 160 CB ASN A 7 11.316 1.324 -13.546 1.00 0.00 C ATOM 161 CG ASN A 7 12.499 0.670 -12.860 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.149 1.275 -12.007 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.781 -0.570 -13.215 1.00 0.00 N ATOM 0 H ASN A 7 9.185 0.088 -13.017 1.00 0.00 H new ATOM 0 HA ASN A 7 10.762 1.996 -11.599 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.857 0.610 -14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.667 2.162 -14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.561 -1.061 -12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.219 -1.037 -13.926 1.00 0.00 H new ATOM 170 N CYS A 8 8.749 3.072 -13.983 1.00 0.00 N ATOM 171 CA CYS A 8 8.097 4.292 -14.466 1.00 0.00 C ATOM 172 C CYS A 8 7.463 5.039 -13.301 1.00 0.00 C ATOM 173 O CYS A 8 7.305 6.261 -13.337 1.00 0.00 O ATOM 174 CB CYS A 8 7.040 3.941 -15.508 1.00 0.00 C ATOM 175 SG CYS A 8 7.700 3.142 -16.985 1.00 0.00 S ATOM 0 H CYS A 8 8.439 2.214 -14.439 1.00 0.00 H new ATOM 0 HA CYS A 8 8.845 4.936 -14.929 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.300 3.283 -15.052 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.519 4.852 -15.803 1.00 0.00 H new ATOM 0 HG CYS A 8 8.157 1.965 -16.674 1.00 0.00 H new ATOM 181 N LEU A 9 7.143 4.286 -12.264 1.00 0.00 N ATOM 182 CA LEU A 9 6.560 4.821 -11.060 1.00 0.00 C ATOM 183 C LEU A 9 7.604 5.579 -10.241 1.00 0.00 C ATOM 184 O LEU A 9 7.456 6.777 -9.992 1.00 0.00 O ATOM 185 CB LEU A 9 5.981 3.658 -10.245 1.00 0.00 C ATOM 186 CG LEU A 9 5.884 3.881 -8.743 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.820 4.911 -8.412 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.605 2.569 -8.028 1.00 0.00 C ATOM 0 H LEU A 9 7.284 3.276 -12.240 1.00 0.00 H new ATOM 0 HA LEU A 9 5.770 5.526 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.984 3.435 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.595 2.775 -10.423 1.00 0.00 H new ATOM 0 HG LEU A 9 6.842 4.267 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.772 5.051 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.070 5.858 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.853 4.565 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.539 2.747 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.663 2.153 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.413 1.866 -8.230 1.00 0.00 H new ATOM 200 N LEU A 10 8.647 4.872 -9.813 1.00 0.00 N ATOM 201 CA LEU A 10 9.700 5.477 -8.988 1.00 0.00 C ATOM 202 C LEU A 10 10.641 6.390 -9.796 1.00 0.00 C ATOM 203 O LEU A 10 11.168 7.367 -9.267 1.00 0.00 O ATOM 204 CB LEU A 10 10.515 4.378 -8.301 1.00 0.00 C ATOM 205 CG LEU A 10 9.916 3.800 -7.026 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.557 2.461 -6.700 1.00 0.00 C ATOM 207 CD2 LEU A 10 10.112 4.762 -5.866 1.00 0.00 C ATOM 0 H LEU A 10 8.789 3.883 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 10 9.204 6.102 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.661 3.564 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.502 4.778 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 10 8.848 3.651 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.118 2.061 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.384 1.765 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.629 2.596 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.679 4.335 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.177 4.934 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.621 5.709 -6.091 1.00 0.00 H new ATOM 219 N GLN A 11 10.859 6.054 -11.068 1.00 0.00 N ATOM 220 CA GLN A 11 11.741 6.821 -11.960 1.00 0.00 C ATOM 221 C GLN A 11 11.254 8.253 -12.099 1.00 0.00 C ATOM 222 O GLN A 11 12.052 9.184 -12.163 1.00 0.00 O ATOM 223 CB GLN A 11 11.804 6.152 -13.335 1.00 0.00 C ATOM 224 CG GLN A 11 12.726 6.822 -14.341 1.00 0.00 C ATOM 225 CD GLN A 11 12.606 6.194 -15.722 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.301 6.587 -16.661 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.720 5.212 -15.854 1.00 0.00 N ATOM 0 H GLN A 11 10.430 5.242 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 11 12.740 6.839 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.126 5.119 -13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.798 6.122 -13.753 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.487 7.884 -14.402 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.757 6.747 -13.996 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.164 4.916 -15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.596 4.755 -16.757 1.00 0.00 H new ATOM 236 N HIS A 12 9.941 8.432 -12.104 1.00 0.00 N ATOM 237 CA HIS A 12 9.362 9.760 -12.186 1.00 0.00 C ATOM 238 C HIS A 12 9.274 10.344 -10.794 1.00 0.00 C ATOM 239 O HIS A 12 8.284 10.953 -10.407 1.00 0.00 O ATOM 240 CB HIS A 12 8.002 9.741 -12.879 1.00 0.00 C ATOM 241 CG HIS A 12 8.100 9.774 -14.376 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.651 10.835 -15.071 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.737 8.867 -15.315 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.622 10.574 -16.362 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.071 9.391 -16.538 1.00 0.00 N ATOM 0 H HIS A 12 9.260 7.675 -12.052 1.00 0.00 H new ATOM 0 HA HIS A 12 10.005 10.393 -12.798 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.460 8.845 -12.577 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.417 10.596 -12.541 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.022 11.687 -14.650 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.271 7.910 -15.134 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.989 11.222 -17.145 1.00 0.00 H new ATOM 254 N ARG A 13 10.366 10.144 -10.069 1.00 0.00 N ATOM 255 CA ARG A 13 10.554 10.624 -8.704 1.00 0.00 C ATOM 256 C ARG A 13 10.263 12.113 -8.628 1.00 0.00 C ATOM 257 O ARG A 13 9.847 12.621 -7.589 1.00 0.00 O ATOM 258 CB ARG A 13 11.990 10.340 -8.246 1.00 0.00 C ATOM 259 CG ARG A 13 12.086 9.577 -6.935 1.00 0.00 C ATOM 260 CD ARG A 13 11.990 10.499 -5.731 1.00 0.00 C ATOM 261 NE ARG A 13 13.082 11.471 -5.694 1.00 0.00 N ATOM 262 CZ ARG A 13 13.398 12.208 -4.631 1.00 0.00 C ATOM 263 NH1 ARG A 13 12.800 12.003 -3.462 1.00 0.00 N ATOM 264 NH2 ARG A 13 14.344 13.128 -4.736 1.00 0.00 N ATOM 0 H ARG A 13 11.171 9.628 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 13 9.862 10.100 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.501 9.771 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.520 11.287 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.289 8.835 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.030 9.033 -6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.036 11.026 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.003 9.904 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 13 13.639 11.593 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.091 11.275 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.050 12.574 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.824 13.267 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.593 13.698 -3.928 1.00 0.00 H new ATOM 278 N GLU A 14 10.459 12.789 -9.761 1.00 0.00 N ATOM 279 CA GLU A 14 10.202 14.217 -9.889 1.00 0.00 C ATOM 280 C GLU A 14 8.757 14.512 -9.492 1.00 0.00 C ATOM 281 O GLU A 14 8.437 15.589 -8.985 1.00 0.00 O ATOM 282 CB GLU A 14 10.449 14.658 -11.340 1.00 0.00 C ATOM 283 CG GLU A 14 9.476 14.032 -12.333 1.00 0.00 C ATOM 284 CD GLU A 14 9.901 14.170 -13.782 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.166 15.307 -14.234 1.00 0.00 O ATOM 286 OE2 GLU A 14 9.948 13.140 -14.487 1.00 0.00 O ATOM 0 H GLU A 14 10.802 12.355 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 14 10.874 14.769 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.372 15.744 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.468 14.395 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.363 12.974 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.497 14.493 -12.207 1.00 0.00 H new ATOM 293 N ALA A 15 7.893 13.529 -9.722 1.00 0.00 N ATOM 294 CA ALA A 15 6.491 13.650 -9.385 1.00 0.00 C ATOM 295 C ALA A 15 6.103 12.638 -8.302 1.00 0.00 C ATOM 296 O ALA A 15 5.125 12.836 -7.593 1.00 0.00 O ATOM 297 CB ALA A 15 5.646 13.479 -10.630 1.00 0.00 C ATOM 0 H ALA A 15 8.148 12.636 -10.144 1.00 0.00 H new ATOM 0 HA ALA A 15 6.308 14.645 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.592 13.571 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.909 14.248 -11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.829 12.495 -11.061 1.00 0.00 H new ATOM 303 N LEU A 16 6.890 11.563 -8.174 1.00 0.00 N ATOM 304 CA LEU A 16 6.646 10.524 -7.162 1.00 0.00 C ATOM 305 C LEU A 16 6.564 11.133 -5.760 1.00 0.00 C ATOM 306 O LEU A 16 5.489 11.300 -5.199 1.00 0.00 O ATOM 307 CB LEU A 16 7.763 9.477 -7.203 1.00 0.00 C ATOM 308 CG LEU A 16 7.608 8.325 -6.206 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.573 6.992 -6.927 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.725 8.339 -5.181 1.00 0.00 C ATOM 0 H LEU A 16 7.706 11.388 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 16 5.693 10.047 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.814 9.062 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.714 9.975 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 16 6.662 8.462 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.462 6.188 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.731 6.974 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.501 6.854 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.591 7.511 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.685 8.236 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.704 9.281 -4.632 1.00 0.00 H new ATOM 322 N GLU A 17 7.715 11.456 -5.201 1.00 0.00 N ATOM 323 CA GLU A 17 7.797 12.036 -3.860 1.00 0.00 C ATOM 324 C GLU A 17 7.053 13.376 -3.759 1.00 0.00 C ATOM 325 O GLU A 17 6.787 13.868 -2.662 1.00 0.00 O ATOM 326 CB GLU A 17 9.272 12.254 -3.508 1.00 0.00 C ATOM 327 CG GLU A 17 9.586 12.208 -2.023 1.00 0.00 C ATOM 328 CD GLU A 17 10.015 10.829 -1.571 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.963 10.275 -2.170 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.421 10.298 -0.612 1.00 0.00 O ATOM 0 H GLU A 17 8.619 11.327 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 17 7.324 11.343 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.868 11.495 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.586 13.221 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.376 12.924 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.706 12.516 -1.458 1.00 0.00 H new ATOM 337 N LYS A 18 6.754 13.971 -4.906 1.00 0.00 N ATOM 338 CA LYS A 18 6.083 15.262 -4.952 1.00 0.00 C ATOM 339 C LYS A 18 4.553 15.161 -4.880 1.00 0.00 C ATOM 340 O LYS A 18 3.912 15.969 -4.204 1.00 0.00 O ATOM 341 CB LYS A 18 6.504 16.008 -6.221 1.00 0.00 C ATOM 342 CG LYS A 18 5.782 17.333 -6.435 1.00 0.00 C ATOM 343 CD LYS A 18 6.327 18.086 -7.641 1.00 0.00 C ATOM 344 CE LYS A 18 7.450 19.040 -7.262 1.00 0.00 C ATOM 345 NZ LYS A 18 8.623 18.347 -6.666 1.00 0.00 N ATOM 0 H LYS A 18 6.967 13.577 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 18 6.392 15.813 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.577 16.194 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.324 15.366 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.717 17.148 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.885 17.951 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.693 17.372 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.520 18.646 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.770 19.587 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.071 19.776 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.441 18.989 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.400 18.064 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.849 17.502 -7.228 1.00 0.00 H new ATOM 359 N ASP A 19 3.958 14.216 -5.601 1.00 0.00 N ATOM 360 CA ASP A 19 2.495 14.111 -5.617 1.00 0.00 C ATOM 361 C ASP A 19 1.953 12.753 -5.176 1.00 0.00 C ATOM 362 O ASP A 19 0.737 12.589 -5.073 1.00 0.00 O ATOM 363 CB ASP A 19 1.947 14.464 -6.999 1.00 0.00 C ATOM 364 CG ASP A 19 1.789 15.957 -7.195 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.997 16.578 -6.447 1.00 0.00 O ATOM 366 OD2 ASP A 19 2.454 16.524 -8.084 1.00 0.00 O ATOM 0 H ASP A 19 4.448 13.526 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 19 2.147 14.830 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.616 14.069 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.981 13.978 -7.139 1.00 0.00 H new ATOM 371 N ILE A 20 2.820 11.788 -4.890 1.00 0.00 N ATOM 372 CA ILE A 20 2.343 10.488 -4.424 1.00 0.00 C ATOM 373 C ILE A 20 1.871 10.634 -2.978 1.00 0.00 C ATOM 374 O ILE A 20 2.645 10.509 -2.024 1.00 0.00 O ATOM 375 CB ILE A 20 3.419 9.381 -4.559 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.622 9.025 -6.031 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.066 8.118 -3.786 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.416 7.748 -6.223 1.00 0.00 C ATOM 0 H ILE A 20 3.833 11.875 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 20 1.512 10.172 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 20 4.337 9.784 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.650 8.918 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.136 9.846 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.856 7.378 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.964 8.356 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.125 7.714 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.528 7.546 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.401 7.860 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.891 6.918 -5.750 1.00 0.00 H new ATOM 390 N LYS A 21 0.596 10.966 -2.844 1.00 0.00 N ATOM 391 CA LYS A 21 -0.026 11.197 -1.548 1.00 0.00 C ATOM 392 C LYS A 21 -0.356 9.871 -0.881 1.00 0.00 C ATOM 393 O LYS A 21 -0.883 8.961 -1.513 1.00 0.00 O ATOM 394 CB LYS A 21 -1.289 12.042 -1.728 1.00 0.00 C ATOM 395 CG LYS A 21 -1.552 13.014 -0.583 1.00 0.00 C ATOM 396 CD LYS A 21 -2.503 14.124 -1.012 1.00 0.00 C ATOM 397 CE LYS A 21 -2.575 15.240 0.020 1.00 0.00 C ATOM 398 NZ LYS A 21 -3.201 16.470 -0.539 1.00 0.00 N ATOM 0 H LYS A 21 -0.039 11.083 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 21 0.669 11.737 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.208 12.605 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.147 11.378 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.976 12.476 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.610 13.448 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.175 14.534 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.499 13.709 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.148 14.901 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.571 15.472 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.232 17.207 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.640 16.808 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.168 16.255 -0.855 1.00 0.00 H new ATOM 412 N THR A 22 -0.006 9.757 0.386 1.00 0.00 N ATOM 413 CA THR A 22 -0.215 8.528 1.130 1.00 0.00 C ATOM 414 C THR A 22 -1.494 8.552 1.966 1.00 0.00 C ATOM 415 O THR A 22 -1.800 7.592 2.669 1.00 0.00 O ATOM 416 CB THR A 22 0.992 8.246 2.044 1.00 0.00 C ATOM 417 OG1 THR A 22 0.810 7.008 2.726 1.00 0.00 O ATOM 418 CG2 THR A 22 1.177 9.365 3.061 1.00 0.00 C ATOM 0 H THR A 22 0.428 10.506 0.925 1.00 0.00 H new ATOM 0 HA THR A 22 -0.321 7.732 0.393 1.00 0.00 H new ATOM 0 HB THR A 22 1.884 8.191 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.139 6.889 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.036 9.143 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.346 10.307 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.282 9.447 3.678 1.00 0.00 H new ATOM 426 N SER A 23 -2.235 9.641 1.904 1.00 0.00 N ATOM 427 CA SER A 23 -3.468 9.745 2.671 1.00 0.00 C ATOM 428 C SER A 23 -4.660 9.168 1.901 1.00 0.00 C ATOM 429 O SER A 23 -5.067 8.031 2.134 1.00 0.00 O ATOM 430 CB SER A 23 -3.719 11.203 3.049 1.00 0.00 C ATOM 431 OG SER A 23 -3.390 12.071 1.976 1.00 0.00 O ATOM 0 H SER A 23 -2.011 10.460 1.338 1.00 0.00 H new ATOM 0 HA SER A 23 -3.357 9.155 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.766 11.337 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.126 11.462 3.926 1.00 0.00 H new ATOM 0 HG SER A 23 -3.561 12.999 2.242 1.00 0.00 H new ATOM 437 N TYR A 24 -5.208 9.966 0.989 1.00 0.00 N ATOM 438 CA TYR A 24 -6.361 9.572 0.168 1.00 0.00 C ATOM 439 C TYR A 24 -6.105 8.280 -0.603 1.00 0.00 C ATOM 440 O TYR A 24 -6.879 7.329 -0.531 1.00 0.00 O ATOM 441 CB TYR A 24 -6.663 10.674 -0.840 1.00 0.00 C ATOM 442 CG TYR A 24 -7.033 12.002 -0.213 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.056 12.845 0.301 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.359 12.411 -0.133 1.00 0.00 C ATOM 445 CE1 TYR A 24 -6.388 14.053 0.872 1.00 0.00 C ATOM 446 CE2 TYR A 24 -8.698 13.622 0.440 1.00 0.00 C ATOM 447 CZ TYR A 24 -7.709 14.439 0.940 1.00 0.00 C ATOM 448 OH TYR A 24 -8.036 15.650 1.507 1.00 0.00 O ATOM 0 H TYR A 24 -4.868 10.908 0.794 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.200 9.411 0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.791 10.816 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.480 10.348 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.019 12.548 0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.137 11.772 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.615 14.696 1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.733 13.926 0.495 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.008 15.774 1.477 1.00 0.00 H new ATOM 458 N ILE A 25 -5.020 8.273 -1.365 1.00 0.00 N ATOM 459 CA ILE A 25 -4.648 7.130 -2.188 1.00 0.00 C ATOM 460 C ILE A 25 -4.577 5.834 -1.380 1.00 0.00 C ATOM 461 O ILE A 25 -5.064 4.793 -1.828 1.00 0.00 O ATOM 462 CB ILE A 25 -3.311 7.412 -2.897 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.513 8.572 -3.864 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.781 6.180 -3.618 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.233 9.106 -4.443 1.00 0.00 C ATOM 0 H ILE A 25 -4.373 9.059 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.428 6.988 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.560 7.677 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.161 8.247 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.032 9.379 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.836 6.422 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.623 5.377 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.504 5.858 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.456 9.929 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.591 9.463 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.722 8.313 -4.990 1.00 0.00 H new ATOM 477 N MET A 26 -3.999 5.899 -0.188 1.00 0.00 N ATOM 478 CA MET A 26 -3.904 4.721 0.663 1.00 0.00 C ATOM 479 C MET A 26 -5.277 4.331 1.199 1.00 0.00 C ATOM 480 O MET A 26 -5.526 3.163 1.469 1.00 0.00 O ATOM 481 CB MET A 26 -2.952 4.960 1.834 1.00 0.00 C ATOM 482 CG MET A 26 -2.867 3.774 2.782 1.00 0.00 C ATOM 483 SD MET A 26 -1.806 4.070 4.206 1.00 0.00 S ATOM 484 CE MET A 26 -2.690 5.385 5.033 1.00 0.00 C ATOM 0 H MET A 26 -3.592 6.746 0.209 1.00 0.00 H new ATOM 0 HA MET A 26 -3.511 3.908 0.052 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.957 5.181 1.447 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.281 5.839 2.389 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.869 3.525 3.131 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.495 2.907 2.235 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.721 5.185 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.182 6.333 4.855 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.707 5.440 4.645 1.00 0.00 H new ATOM 494 N ASP A 27 -6.185 5.299 1.321 1.00 0.00 N ATOM 495 CA ASP A 27 -7.526 4.992 1.812 1.00 0.00 C ATOM 496 C ASP A 27 -8.240 4.129 0.794 1.00 0.00 C ATOM 497 O ASP A 27 -9.070 3.287 1.129 1.00 0.00 O ATOM 498 CB ASP A 27 -8.311 6.277 2.081 1.00 0.00 C ATOM 499 CG ASP A 27 -9.711 6.004 2.590 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.853 5.343 3.635 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.678 6.448 1.942 1.00 0.00 O ATOM 0 H ASP A 27 -6.022 6.280 1.093 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.450 4.449 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.773 6.881 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.369 6.863 1.164 1.00 0.00 H new ATOM 506 N HIS A 28 -7.879 4.324 -0.458 1.00 0.00 N ATOM 507 CA HIS A 28 -8.452 3.555 -1.540 1.00 0.00 C ATOM 508 C HIS A 28 -7.793 2.182 -1.629 1.00 0.00 C ATOM 509 O HIS A 28 -8.427 1.211 -2.015 1.00 0.00 O ATOM 510 CB HIS A 28 -8.296 4.314 -2.857 1.00 0.00 C ATOM 511 CG HIS A 28 -9.074 5.595 -2.908 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.450 5.645 -2.945 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.653 6.884 -2.945 1.00 0.00 C ATOM 514 CE1 HIS A 28 -10.841 6.902 -3.005 1.00 0.00 C ATOM 515 NE2 HIS A 28 -9.771 7.674 -3.004 1.00 0.00 N ATOM 0 H HIS A 28 -7.187 5.014 -0.751 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.514 3.408 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.240 4.533 -3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.616 3.671 -3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.628 7.224 -2.931 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.865 7.243 -3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.775 8.693 -3.041 1.00 0.00 H new ATOM 524 N MET A 29 -6.515 2.104 -1.264 1.00 0.00 N ATOM 525 CA MET A 29 -5.778 0.838 -1.306 1.00 0.00 C ATOM 526 C MET A 29 -6.211 -0.103 -0.184 1.00 0.00 C ATOM 527 O MET A 29 -6.270 -1.316 -0.376 1.00 0.00 O ATOM 528 CB MET A 29 -4.268 1.068 -1.228 1.00 0.00 C ATOM 529 CG MET A 29 -3.656 1.626 -2.505 1.00 0.00 C ATOM 530 SD MET A 29 -1.902 1.239 -2.654 1.00 0.00 S ATOM 531 CE MET A 29 -1.965 -0.491 -3.142 1.00 0.00 C ATOM 0 H MET A 29 -5.967 2.899 -0.936 1.00 0.00 H new ATOM 0 HA MET A 29 -6.014 0.371 -2.262 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.058 1.754 -0.408 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.780 0.124 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.189 1.222 -3.366 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.789 2.708 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.045 -0.989 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.816 -0.974 -2.662 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.071 -0.560 -4.225 1.00 0.00 H new ATOM 541 N ILE A 30 -6.530 0.451 0.975 1.00 0.00 N ATOM 542 CA ILE A 30 -6.977 -0.361 2.097 1.00 0.00 C ATOM 543 C ILE A 30 -8.417 -0.787 1.850 1.00 0.00 C ATOM 544 O ILE A 30 -8.789 -1.926 2.110 1.00 0.00 O ATOM 545 CB ILE A 30 -6.900 0.410 3.420 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.554 1.122 3.554 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.104 -0.518 4.612 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.400 1.890 4.854 1.00 0.00 C ATOM 0 H ILE A 30 -6.488 1.453 1.164 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.322 -1.229 2.175 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.699 1.151 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.754 0.386 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.432 1.811 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.044 0.058 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.084 -0.990 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.330 -1.286 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.421 2.369 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.178 2.650 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.490 1.203 5.695 1.00 0.00 H new ATOM 560 N SER A 31 -9.209 0.139 1.303 1.00 0.00 N ATOM 561 CA SER A 31 -10.604 -0.136 0.971 1.00 0.00 C ATOM 562 C SER A 31 -10.640 -1.148 -0.167 1.00 0.00 C ATOM 563 O SER A 31 -11.578 -1.939 -0.298 1.00 0.00 O ATOM 564 CB SER A 31 -11.319 1.153 0.563 1.00 0.00 C ATOM 565 OG SER A 31 -12.691 0.922 0.294 1.00 0.00 O ATOM 0 H SER A 31 -8.904 1.087 1.081 1.00 0.00 H new ATOM 0 HA SER A 31 -11.118 -0.542 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.222 1.892 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.839 1.572 -0.321 1.00 0.00 H new ATOM 0 HG SER A 31 -13.120 1.765 0.038 1.00 0.00 H new ATOM 571 N ASP A 32 -9.577 -1.129 -0.972 1.00 0.00 N ATOM 572 CA ASP A 32 -9.424 -2.050 -2.086 1.00 0.00 C ATOM 573 C ASP A 32 -9.197 -3.447 -1.536 1.00 0.00 C ATOM 574 O ASP A 32 -9.529 -4.446 -2.177 1.00 0.00 O ATOM 575 CB ASP A 32 -8.236 -1.647 -2.974 1.00 0.00 C ATOM 576 CG ASP A 32 -8.629 -1.432 -4.424 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.453 -0.531 -4.687 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.115 -2.161 -5.297 1.00 0.00 O ATOM 0 H ASP A 32 -8.802 -0.474 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.328 -2.023 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.791 -0.732 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.470 -2.421 -2.921 1.00 0.00 H new ATOM 583 N GLY A 33 -8.643 -3.504 -0.322 1.00 0.00 N ATOM 584 CA GLY A 33 -8.402 -4.784 0.316 1.00 0.00 C ATOM 585 C GLY A 33 -6.997 -5.297 0.099 1.00 0.00 C ATOM 586 O GLY A 33 -6.659 -6.394 0.539 1.00 0.00 O ATOM 0 H GLY A 33 -8.360 -2.690 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.588 -4.691 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.113 -5.515 -0.069 1.00 0.00 H new ATOM 590 N PHE A 34 -6.172 -4.513 -0.581 1.00 0.00 N ATOM 591 CA PHE A 34 -4.801 -4.918 -0.842 1.00 0.00 C ATOM 592 C PHE A 34 -3.915 -4.537 0.335 1.00 0.00 C ATOM 593 O PHE A 34 -2.889 -5.171 0.603 1.00 0.00 O ATOM 594 CB PHE A 34 -4.292 -4.310 -2.154 1.00 0.00 C ATOM 595 CG PHE A 34 -4.941 -4.905 -3.371 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.297 -4.732 -3.613 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.196 -5.649 -4.268 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.892 -5.287 -4.729 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.787 -6.203 -5.383 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.133 -6.024 -5.616 1.00 0.00 C ATOM 0 H PHE A 34 -6.427 -3.600 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.767 -6.002 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.472 -3.235 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.213 -4.452 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.894 -4.157 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.141 -5.797 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.948 -5.145 -4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.193 -6.780 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.593 -6.459 -6.491 1.00 0.00 H new ATOM 610 N LEU A 35 -4.350 -3.524 1.062 1.00 0.00 N ATOM 611 CA LEU A 35 -3.642 -3.072 2.245 1.00 0.00 C ATOM 612 C LEU A 35 -4.434 -3.472 3.480 1.00 0.00 C ATOM 613 O LEU A 35 -5.582 -3.069 3.650 1.00 0.00 O ATOM 614 CB LEU A 35 -3.425 -1.552 2.213 1.00 0.00 C ATOM 615 CG LEU A 35 -2.058 -1.087 1.700 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.795 -1.590 0.287 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.967 0.424 1.749 1.00 0.00 C ATOM 0 H LEU A 35 -5.197 -2.996 0.851 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.659 -3.542 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.198 -1.106 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.566 -1.162 3.221 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.293 -1.509 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.817 -1.242 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.815 -2.680 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.564 -1.208 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.991 0.742 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.748 0.856 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.096 0.763 2.777 1.00 0.00 H new ATOM 629 N THR A 36 -3.825 -4.285 4.318 1.00 0.00 N ATOM 630 CA THR A 36 -4.471 -4.765 5.524 1.00 0.00 C ATOM 631 C THR A 36 -4.279 -3.783 6.671 1.00 0.00 C ATOM 632 O THR A 36 -3.673 -2.719 6.494 1.00 0.00 O ATOM 633 CB THR A 36 -3.915 -6.142 5.925 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.484 -6.069 6.022 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.299 -7.199 4.901 1.00 0.00 C ATOM 0 H THR A 36 -2.875 -4.630 4.185 1.00 0.00 H new ATOM 0 HA THR A 36 -5.537 -4.858 5.316 1.00 0.00 H new ATOM 0 HB THR A 36 -4.341 -6.421 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.215 -6.154 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.895 -8.164 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.385 -7.265 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.893 -6.927 3.927 1.00 0.00 H new ATOM 643 N ILE A 37 -4.780 -4.146 7.845 1.00 0.00 N ATOM 644 CA ILE A 37 -4.660 -3.302 9.027 1.00 0.00 C ATOM 645 C ILE A 37 -3.193 -3.141 9.417 1.00 0.00 C ATOM 646 O ILE A 37 -2.789 -2.095 9.921 1.00 0.00 O ATOM 647 CB ILE A 37 -5.454 -3.873 10.227 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.915 -4.120 9.828 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.379 -2.929 11.424 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.757 -4.746 10.922 1.00 0.00 C ATOM 0 H ILE A 37 -5.275 -5.023 8.004 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.082 -2.330 8.774 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.005 -4.824 10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.366 -3.172 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.937 -4.768 8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.944 -3.350 12.256 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.338 -2.800 11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.801 -1.962 11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.776 -4.888 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.333 -5.711 11.200 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.769 -4.090 11.792 1.00 0.00 H new ATOM 662 N SER A 38 -2.398 -4.175 9.158 1.00 0.00 N ATOM 663 CA SER A 38 -0.975 -4.136 9.461 1.00 0.00 C ATOM 664 C SER A 38 -0.235 -3.269 8.440 1.00 0.00 C ATOM 665 O SER A 38 0.785 -2.656 8.758 1.00 0.00 O ATOM 666 CB SER A 38 -0.397 -5.551 9.497 1.00 0.00 C ATOM 667 OG SER A 38 -0.830 -6.310 8.379 1.00 0.00 O ATOM 0 H SER A 38 -2.717 -5.049 8.739 1.00 0.00 H new ATOM 0 HA SER A 38 -0.841 -3.690 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.692 -5.502 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.702 -6.048 10.418 1.00 0.00 H new ATOM 0 HG SER A 38 -0.445 -7.210 8.426 1.00 0.00 H new ATOM 673 N GLU A 39 -0.776 -3.187 7.224 1.00 0.00 N ATOM 674 CA GLU A 39 -0.180 -2.350 6.189 1.00 0.00 C ATOM 675 C GLU A 39 -0.518 -0.902 6.496 1.00 0.00 C ATOM 676 O GLU A 39 0.345 -0.026 6.442 1.00 0.00 O ATOM 677 CB GLU A 39 -0.686 -2.738 4.798 1.00 0.00 C ATOM 678 CG GLU A 39 -0.383 -4.179 4.417 1.00 0.00 C ATOM 679 CD GLU A 39 1.103 -4.493 4.325 1.00 0.00 C ATOM 680 OE1 GLU A 39 1.936 -3.583 4.504 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.440 -5.663 4.064 1.00 0.00 O ATOM 0 H GLU A 39 -1.618 -3.686 6.936 1.00 0.00 H new ATOM 0 HA GLU A 39 0.901 -2.492 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.764 -2.579 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.237 -2.074 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.840 -4.842 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.850 -4.397 3.457 1.00 0.00 H new ATOM 688 N GLU A 40 -1.779 -0.680 6.867 1.00 0.00 N ATOM 689 CA GLU A 40 -2.255 0.646 7.248 1.00 0.00 C ATOM 690 C GLU A 40 -1.448 1.137 8.444 1.00 0.00 C ATOM 691 O GLU A 40 -0.989 2.275 8.480 1.00 0.00 O ATOM 692 CB GLU A 40 -3.738 0.594 7.638 1.00 0.00 C ATOM 693 CG GLU A 40 -4.271 1.905 8.212 1.00 0.00 C ATOM 694 CD GLU A 40 -5.631 1.749 8.867 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.739 0.960 9.831 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.595 2.423 8.437 1.00 0.00 O ATOM 0 H GLU A 40 -2.492 -1.408 6.911 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.134 1.321 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.326 0.327 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.883 -0.199 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.562 2.291 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.339 2.645 7.414 1.00 0.00 H new ATOM 703 N GLU A 41 -1.303 0.233 9.410 1.00 0.00 N ATOM 704 CA GLU A 41 -0.579 0.461 10.657 1.00 0.00 C ATOM 705 C GLU A 41 0.750 1.182 10.453 1.00 0.00 C ATOM 706 O GLU A 41 0.958 2.264 10.980 1.00 0.00 O ATOM 707 CB GLU A 41 -0.325 -0.896 11.314 1.00 0.00 C ATOM 708 CG GLU A 41 0.342 -0.821 12.667 1.00 0.00 C ATOM 709 CD GLU A 41 0.775 -2.181 13.167 1.00 0.00 C ATOM 710 OE1 GLU A 41 1.719 -2.763 12.591 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.170 -2.675 14.137 1.00 0.00 O ATOM 0 H GLU A 41 -1.698 -0.705 9.344 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.191 1.106 11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.276 -1.418 11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.296 -1.497 10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.210 -0.165 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.346 -0.374 13.385 1.00 0.00 H new ATOM 718 N LYS A 42 1.657 0.554 9.723 1.00 0.00 N ATOM 719 CA LYS A 42 2.991 1.114 9.495 1.00 0.00 C ATOM 720 C LYS A 42 2.961 2.470 8.777 1.00 0.00 C ATOM 721 O LYS A 42 3.581 3.441 9.241 1.00 0.00 O ATOM 722 CB LYS A 42 3.843 0.113 8.706 1.00 0.00 C ATOM 723 CG LYS A 42 3.970 -1.243 9.388 1.00 0.00 C ATOM 724 CD LYS A 42 4.789 -2.225 8.558 1.00 0.00 C ATOM 725 CE LYS A 42 4.852 -3.585 9.234 1.00 0.00 C ATOM 726 NZ LYS A 42 5.667 -4.567 8.465 1.00 0.00 N ATOM 0 H LYS A 42 1.499 -0.348 9.274 1.00 0.00 H new ATOM 0 HA LYS A 42 3.435 1.294 10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.405 -0.025 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.838 0.532 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.438 -1.115 10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.976 -1.656 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.347 -2.327 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.798 -1.837 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.273 -3.471 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.841 -3.974 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.679 -5.478 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.252 -4.698 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.640 -4.212 8.370 1.00 0.00 H new ATOM 740 N VAL A 43 2.261 2.536 7.653 1.00 0.00 N ATOM 741 CA VAL A 43 2.178 3.772 6.878 1.00 0.00 C ATOM 742 C VAL A 43 1.573 4.901 7.718 1.00 0.00 C ATOM 743 O VAL A 43 1.996 6.052 7.625 1.00 0.00 O ATOM 744 CB VAL A 43 1.317 3.589 5.615 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.425 4.806 4.716 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.708 2.334 4.858 1.00 0.00 C ATOM 0 H VAL A 43 1.743 1.752 7.256 1.00 0.00 H new ATOM 0 HA VAL A 43 3.196 4.030 6.585 1.00 0.00 H new ATOM 0 HB VAL A 43 0.280 3.479 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.810 4.658 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.079 5.688 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.464 4.947 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.082 2.234 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.754 2.401 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.570 1.464 5.500 1.00 0.00 H new ATOM 756 N ARG A 44 0.574 4.558 8.529 1.00 0.00 N ATOM 757 CA ARG A 44 -0.107 5.529 9.375 1.00 0.00 C ATOM 758 C ARG A 44 0.686 5.828 10.654 1.00 0.00 C ATOM 759 O ARG A 44 0.570 6.918 11.219 1.00 0.00 O ATOM 760 CB ARG A 44 -1.497 5.011 9.756 1.00 0.00 C ATOM 761 CG ARG A 44 -2.399 6.078 10.352 1.00 0.00 C ATOM 762 CD ARG A 44 -3.629 5.475 11.016 1.00 0.00 C ATOM 763 NE ARG A 44 -3.364 5.050 12.392 1.00 0.00 N ATOM 764 CZ ARG A 44 -4.259 4.441 13.168 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.456 4.129 12.702 1.00 0.00 N ATOM 766 NH2 ARG A 44 -3.950 4.112 14.408 1.00 0.00 N ATOM 0 H ARG A 44 0.218 3.606 8.616 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.194 6.453 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.976 4.595 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.389 4.196 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.839 6.659 11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.711 6.769 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.437 6.207 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.972 4.620 10.433 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.438 5.231 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.703 4.355 11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.133 3.663 13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.023 4.324 14.776 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.639 3.646 14.999 1.00 0.00 H new ATOM 780 N ASN A 45 1.473 4.856 11.125 1.00 0.00 N ATOM 781 CA ASN A 45 2.254 5.036 12.348 1.00 0.00 C ATOM 782 C ASN A 45 3.236 6.182 12.207 1.00 0.00 C ATOM 783 O ASN A 45 3.408 6.974 13.137 1.00 0.00 O ATOM 784 CB ASN A 45 3.001 3.761 12.738 1.00 0.00 C ATOM 785 CG ASN A 45 2.386 3.088 13.947 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.181 3.717 14.984 1.00 0.00 O ATOM 787 ND2 ASN A 45 2.104 1.800 13.831 1.00 0.00 N ATOM 0 H ASN A 45 1.585 3.945 10.681 1.00 0.00 H new ATOM 0 HA ASN A 45 1.545 5.273 13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.998 3.068 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.043 4.002 12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.701 1.293 14.619 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.289 1.314 12.953 1.00 0.00 H new ATOM 794 N GLU A 46 3.869 6.280 11.046 1.00 0.00 N ATOM 795 CA GLU A 46 4.815 7.358 10.804 1.00 0.00 C ATOM 796 C GLU A 46 4.091 8.705 10.805 1.00 0.00 C ATOM 797 O GLU A 46 2.957 8.815 10.343 1.00 0.00 O ATOM 798 CB GLU A 46 5.564 7.113 9.511 1.00 0.00 C ATOM 799 CG GLU A 46 6.617 6.028 9.655 1.00 0.00 C ATOM 800 CD GLU A 46 7.707 6.422 10.629 1.00 0.00 C ATOM 801 OE1 GLU A 46 8.394 7.429 10.373 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.877 5.737 11.655 1.00 0.00 O ATOM 0 H GLU A 46 3.746 5.634 10.266 1.00 0.00 H new ATOM 0 HA GLU A 46 5.551 7.384 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.857 6.829 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.040 8.039 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.144 5.106 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.059 5.820 8.681 1.00 0.00 H new ATOM 809 N PRO A 47 4.708 9.727 11.407 1.00 0.00 N ATOM 810 CA PRO A 47 4.100 11.051 11.571 1.00 0.00 C ATOM 811 C PRO A 47 4.203 12.010 10.378 1.00 0.00 C ATOM 812 O PRO A 47 3.477 13.002 10.351 1.00 0.00 O ATOM 813 CB PRO A 47 4.863 11.644 12.771 1.00 0.00 C ATOM 814 CG PRO A 47 5.800 10.577 13.236 1.00 0.00 C ATOM 815 CD PRO A 47 6.008 9.665 12.068 1.00 0.00 C ATOM 0 HA PRO A 47 3.023 10.933 11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.408 12.542 12.481 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.175 11.932 13.566 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.745 11.007 13.567 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.382 10.034 14.084 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.814 10.009 11.419 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.260 8.652 12.380 1.00 0.00 H new ATOM 823 N THR A 48 5.082 11.775 9.401 1.00 0.00 N ATOM 824 CA THR A 48 5.186 12.708 8.288 1.00 0.00 C ATOM 825 C THR A 48 5.334 11.972 6.969 1.00 0.00 C ATOM 826 O THR A 48 5.561 10.760 6.962 1.00 0.00 O ATOM 827 CB THR A 48 6.381 13.663 8.473 1.00 0.00 C ATOM 828 OG1 THR A 48 7.565 12.914 8.791 1.00 0.00 O ATOM 829 CG2 THR A 48 6.107 14.686 9.569 1.00 0.00 C ATOM 0 H THR A 48 5.711 10.973 9.360 1.00 0.00 H new ATOM 0 HA THR A 48 4.264 13.290 8.270 1.00 0.00 H new ATOM 0 HB THR A 48 6.531 14.200 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.320 13.528 8.905 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.969 15.345 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.229 15.276 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.927 14.170 10.512 1.00 0.00 H new ATOM 837 N GLN A 49 5.229 12.711 5.857 1.00 0.00 N ATOM 838 CA GLN A 49 5.367 12.140 4.512 1.00 0.00 C ATOM 839 C GLN A 49 6.627 11.299 4.417 1.00 0.00 C ATOM 840 O GLN A 49 6.691 10.369 3.616 1.00 0.00 O ATOM 841 CB GLN A 49 5.387 13.256 3.452 1.00 0.00 C ATOM 842 CG GLN A 49 5.628 12.768 2.026 1.00 0.00 C ATOM 843 CD GLN A 49 7.093 12.788 1.620 1.00 0.00 C ATOM 844 OE1 GLN A 49 7.764 13.815 1.729 1.00 0.00 O ATOM 845 NE2 GLN A 49 7.593 11.657 1.138 1.00 0.00 N ATOM 0 H GLN A 49 5.047 13.715 5.864 1.00 0.00 H new ATOM 0 HA GLN A 49 4.507 11.497 4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.436 13.788 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.164 13.974 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.245 11.752 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.059 13.391 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.002 10.829 1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.568 11.616 0.841 1.00 0.00 H new ATOM 854 N GLN A 50 7.595 11.642 5.270 1.00 0.00 N ATOM 855 CA GLN A 50 8.879 10.965 5.377 1.00 0.00 C ATOM 856 C GLN A 50 8.730 9.478 5.148 1.00 0.00 C ATOM 857 O GLN A 50 8.873 8.992 4.024 1.00 0.00 O ATOM 858 CB GLN A 50 9.465 11.219 6.770 1.00 0.00 C ATOM 859 CG GLN A 50 10.800 10.530 7.032 1.00 0.00 C ATOM 860 CD GLN A 50 11.240 10.672 8.473 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.823 11.679 8.859 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.938 9.670 9.286 1.00 0.00 N ATOM 0 H GLN A 50 7.499 12.421 5.921 1.00 0.00 H new ATOM 0 HA GLN A 50 9.548 11.359 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.592 12.293 6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.746 10.886 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.717 9.473 6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.561 10.954 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.452 8.849 8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.192 9.720 10.273 1.00 0.00 H new ATOM 871 N GLN A 51 8.408 8.758 6.201 1.00 0.00 N ATOM 872 CA GLN A 51 8.216 7.349 6.070 1.00 0.00 C ATOM 873 C GLN A 51 6.761 7.045 5.767 1.00 0.00 C ATOM 874 O GLN A 51 6.444 5.922 5.457 1.00 0.00 O ATOM 875 CB GLN A 51 8.685 6.590 7.303 1.00 0.00 C ATOM 876 CG GLN A 51 10.196 6.526 7.463 1.00 0.00 C ATOM 877 CD GLN A 51 10.623 5.409 8.390 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.298 4.245 8.157 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.340 5.745 9.453 1.00 0.00 N ATOM 0 H GLN A 51 8.277 9.129 7.142 1.00 0.00 H new ATOM 0 HA GLN A 51 8.829 7.008 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.257 7.060 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.293 5.574 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.658 6.382 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.560 7.478 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.590 6.721 9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.642 5.027 10.112 1.00 0.00 H new ATOM 888 N ARG A 52 5.871 8.045 5.813 1.00 0.00 N ATOM 889 CA ARG A 52 4.466 7.778 5.472 1.00 0.00 C ATOM 890 C ARG A 52 4.361 7.483 3.985 1.00 0.00 C ATOM 891 O ARG A 52 3.999 6.379 3.588 1.00 0.00 O ATOM 892 CB ARG A 52 3.528 8.932 5.840 1.00 0.00 C ATOM 893 CG ARG A 52 3.198 8.979 7.315 1.00 0.00 C ATOM 894 CD ARG A 52 1.850 9.636 7.587 1.00 0.00 C ATOM 895 NE ARG A 52 1.809 11.051 7.217 1.00 0.00 N ATOM 896 CZ ARG A 52 0.972 11.931 7.767 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.183 11.569 8.765 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.940 13.179 7.339 1.00 0.00 N ATOM 0 H ARG A 52 6.084 9.008 6.072 1.00 0.00 H new ATOM 0 HA ARG A 52 4.147 6.917 6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.989 9.875 5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.604 8.838 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.193 7.965 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.979 9.527 7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.076 9.101 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.613 9.538 8.646 1.00 0.00 H new ATOM 0 HE ARG A 52 2.455 11.382 6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.213 10.612 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.455 12.246 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.558 13.475 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.297 13.848 7.764 1.00 0.00 H new ATOM 912 N ALA A 53 4.721 8.463 3.162 1.00 0.00 N ATOM 913 CA ALA A 53 4.698 8.277 1.721 1.00 0.00 C ATOM 914 C ALA A 53 5.718 7.231 1.325 1.00 0.00 C ATOM 915 O ALA A 53 5.437 6.382 0.487 1.00 0.00 O ATOM 916 CB ALA A 53 4.966 9.579 0.998 1.00 0.00 C ATOM 0 H ALA A 53 5.029 9.386 3.468 1.00 0.00 H new ATOM 0 HA ALA A 53 3.704 7.936 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.943 9.409 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.202 10.308 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.947 9.959 1.284 1.00 0.00 H new ATOM 922 N ALA A 54 6.902 7.278 1.944 1.00 0.00 N ATOM 923 CA ALA A 54 7.931 6.305 1.633 1.00 0.00 C ATOM 924 C ALA A 54 7.464 4.887 1.948 1.00 0.00 C ATOM 925 O ALA A 54 7.802 3.970 1.223 1.00 0.00 O ATOM 926 CB ALA A 54 9.226 6.602 2.378 1.00 0.00 C ATOM 0 H ALA A 54 7.160 7.969 2.649 1.00 0.00 H new ATOM 0 HA ALA A 54 8.126 6.379 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.974 5.852 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.590 7.590 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.042 6.577 3.452 1.00 0.00 H new ATOM 932 N MET A 55 6.684 4.704 3.022 1.00 0.00 N ATOM 933 CA MET A 55 6.199 3.384 3.384 1.00 0.00 C ATOM 934 C MET A 55 5.231 2.876 2.326 1.00 0.00 C ATOM 935 O MET A 55 5.301 1.720 1.919 1.00 0.00 O ATOM 936 CB MET A 55 5.523 3.443 4.754 1.00 0.00 C ATOM 937 CG MET A 55 5.056 2.095 5.280 1.00 0.00 C ATOM 938 SD MET A 55 6.425 0.974 5.647 1.00 0.00 S ATOM 939 CE MET A 55 7.234 1.861 6.981 1.00 0.00 C ATOM 0 H MET A 55 6.382 5.453 3.645 1.00 0.00 H new ATOM 0 HA MET A 55 7.039 2.692 3.439 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.219 3.878 5.471 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.666 4.113 4.695 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.465 2.247 6.183 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.399 1.631 4.544 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.513 1.160 7.768 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.129 2.354 6.600 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.553 2.609 7.387 1.00 0.00 H new ATOM 949 N LEU A 56 4.349 3.759 1.868 1.00 0.00 N ATOM 950 CA LEU A 56 3.381 3.414 0.841 1.00 0.00 C ATOM 951 C LEU A 56 4.104 2.998 -0.439 1.00 0.00 C ATOM 952 O LEU A 56 3.884 1.908 -0.977 1.00 0.00 O ATOM 953 CB LEU A 56 2.474 4.623 0.566 1.00 0.00 C ATOM 954 CG LEU A 56 1.142 4.303 -0.107 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.218 3.597 0.869 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.492 5.568 -0.638 1.00 0.00 C ATOM 0 H LEU A 56 4.288 4.723 2.196 1.00 0.00 H new ATOM 0 HA LEU A 56 2.771 2.579 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.272 5.127 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.018 5.329 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 56 1.331 3.639 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.729 3.374 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.681 2.668 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.037 4.241 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.456 5.318 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.313 6.259 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.152 6.037 -1.368 1.00 0.00 H new ATOM 968 N ILE A 57 4.985 3.871 -0.912 1.00 0.00 N ATOM 969 CA ILE A 57 5.762 3.617 -2.129 1.00 0.00 C ATOM 970 C ILE A 57 6.712 2.423 -1.936 1.00 0.00 C ATOM 971 O ILE A 57 7.075 1.749 -2.898 1.00 0.00 O ATOM 972 CB ILE A 57 6.567 4.891 -2.531 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.694 6.135 -2.380 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.077 4.833 -3.970 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.442 7.446 -2.543 1.00 0.00 C ATOM 0 H ILE A 57 5.183 4.769 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 57 5.067 3.371 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 57 7.427 4.937 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.892 6.094 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.224 6.118 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.630 5.744 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.733 3.971 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.232 4.742 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.749 8.278 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.226 7.514 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.889 7.489 -3.536 1.00 0.00 H new ATOM 987 N LYS A 58 7.092 2.157 -0.684 1.00 0.00 N ATOM 988 CA LYS A 58 7.979 1.030 -0.368 1.00 0.00 C ATOM 989 C LYS A 58 7.199 -0.288 -0.383 1.00 0.00 C ATOM 990 O LYS A 58 7.743 -1.326 -0.763 1.00 0.00 O ATOM 991 CB LYS A 58 8.681 1.228 0.986 1.00 0.00 C ATOM 992 CG LYS A 58 9.749 0.183 1.283 1.00 0.00 C ATOM 993 CD LYS A 58 10.496 0.489 2.576 1.00 0.00 C ATOM 994 CE LYS A 58 11.638 -0.497 2.812 1.00 0.00 C ATOM 995 NZ LYS A 58 12.397 -0.199 4.066 1.00 0.00 N ATOM 0 H LYS A 58 6.801 2.704 0.127 1.00 0.00 H new ATOM 0 HA LYS A 58 8.750 0.988 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.138 2.217 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.934 1.206 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.285 -0.801 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.457 0.141 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.893 1.503 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.802 0.451 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.236 -1.509 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.320 -0.469 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.161 -0.895 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.804 0.756 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.754 -0.251 4.882 1.00 0.00 H new ATOM 1009 N MET A 59 5.918 -0.252 0.005 1.00 0.00 N ATOM 1010 CA MET A 59 5.103 -1.470 -0.019 1.00 0.00 C ATOM 1011 C MET A 59 5.015 -1.968 -1.451 1.00 0.00 C ATOM 1012 O MET A 59 5.267 -3.139 -1.742 1.00 0.00 O ATOM 1013 CB MET A 59 3.667 -1.234 0.447 1.00 0.00 C ATOM 1014 CG MET A 59 3.503 -0.607 1.812 1.00 0.00 C ATOM 1015 SD MET A 59 1.774 -0.282 2.172 1.00 0.00 S ATOM 1016 CE MET A 59 1.212 0.326 0.582 1.00 0.00 C ATOM 0 H MET A 59 5.434 0.585 0.331 1.00 0.00 H new ATOM 0 HA MET A 59 5.581 -2.182 0.654 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.170 -0.597 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.144 -2.191 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.917 -1.270 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.068 0.324 1.858 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.238 0.801 0.698 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.927 1.053 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.129 -0.506 -0.117 1.00 0.00 H new ATOM 1026 N ILE A 60 4.642 -1.054 -2.343 1.00 0.00 N ATOM 1027 CA ILE A 60 4.502 -1.379 -3.752 1.00 0.00 C ATOM 1028 C ILE A 60 5.854 -1.768 -4.351 1.00 0.00 C ATOM 1029 O ILE A 60 5.915 -2.587 -5.260 1.00 0.00 O ATOM 1030 CB ILE A 60 3.846 -0.218 -4.555 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.346 -0.112 -4.249 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.034 -0.402 -6.057 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.015 0.427 -2.876 1.00 0.00 C ATOM 0 H ILE A 60 4.432 -0.083 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 60 3.832 -2.236 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 60 4.344 0.700 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.881 0.530 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.898 -1.100 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.564 0.426 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.098 -0.424 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.574 -1.340 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.933 0.466 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.445 -0.225 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.428 1.430 -2.769 1.00 0.00 H new ATOM 1045 N LEU A 61 6.936 -1.205 -3.814 1.00 0.00 N ATOM 1046 CA LEU A 61 8.281 -1.528 -4.284 1.00 0.00 C ATOM 1047 C LEU A 61 8.475 -3.050 -4.306 1.00 0.00 C ATOM 1048 O LEU A 61 9.018 -3.601 -5.260 1.00 0.00 O ATOM 1049 CB LEU A 61 9.332 -0.851 -3.387 1.00 0.00 C ATOM 1050 CG LEU A 61 10.775 -0.838 -3.915 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.570 0.272 -3.247 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.464 -2.174 -3.672 1.00 0.00 C ATOM 0 H LEU A 61 6.907 -0.524 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 61 8.408 -1.151 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.022 0.180 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.327 -1.351 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 61 10.733 -0.661 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.590 0.270 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.104 1.234 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.587 0.110 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.483 -2.133 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.488 -2.382 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.915 -2.965 -4.183 1.00 0.00 H new ATOM 1064 N LYS A 62 7.997 -3.726 -3.263 1.00 0.00 N ATOM 1065 CA LYS A 62 8.098 -5.178 -3.190 1.00 0.00 C ATOM 1066 C LYS A 62 6.720 -5.801 -2.955 1.00 0.00 C ATOM 1067 O LYS A 62 6.487 -6.496 -1.967 1.00 0.00 O ATOM 1068 CB LYS A 62 9.084 -5.613 -2.088 1.00 0.00 C ATOM 1069 CG LYS A 62 9.382 -7.107 -2.103 1.00 0.00 C ATOM 1070 CD LYS A 62 10.266 -7.521 -0.937 1.00 0.00 C ATOM 1071 CE LYS A 62 10.463 -9.031 -0.886 1.00 0.00 C ATOM 1072 NZ LYS A 62 9.188 -9.755 -0.661 1.00 0.00 N ATOM 0 H LYS A 62 7.539 -3.292 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 62 8.483 -5.536 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.017 -5.062 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.674 -5.341 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.446 -7.664 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.871 -7.370 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.236 -7.030 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.819 -7.181 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.911 -9.369 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.164 -9.278 -0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.391 -10.731 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.642 -9.274 0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.636 -9.768 -1.542 1.00 0.00 H new ATOM 1086 N LYS A 63 5.800 -5.556 -3.875 1.00 0.00 N ATOM 1087 CA LYS A 63 4.471 -6.120 -3.752 1.00 0.00 C ATOM 1088 C LYS A 63 4.193 -7.039 -4.942 1.00 0.00 C ATOM 1089 O LYS A 63 4.867 -8.052 -5.113 1.00 0.00 O ATOM 1090 CB LYS A 63 3.406 -5.020 -3.634 1.00 0.00 C ATOM 1091 CG LYS A 63 2.241 -5.414 -2.732 1.00 0.00 C ATOM 1092 CD LYS A 63 2.710 -5.690 -1.314 1.00 0.00 C ATOM 1093 CE LYS A 63 1.708 -6.532 -0.528 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.435 -5.809 -0.257 1.00 0.00 N ATOM 0 H LYS A 63 5.948 -4.979 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 63 4.422 -6.708 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.869 -4.113 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.025 -4.782 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.499 -4.616 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.750 -6.300 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.670 -6.205 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.872 -4.745 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.491 -7.444 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.157 -6.835 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.208 -6.427 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.634 -4.952 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.011 -5.543 -1.158 1.00 0.00 H new ATOM 1108 N ASP A 64 3.213 -6.691 -5.762 1.00 0.00 N ATOM 1109 CA ASP A 64 2.876 -7.510 -6.928 1.00 0.00 C ATOM 1110 C ASP A 64 2.067 -6.714 -7.934 1.00 0.00 C ATOM 1111 O ASP A 64 1.461 -5.701 -7.584 1.00 0.00 O ATOM 1112 CB ASP A 64 2.081 -8.750 -6.480 1.00 0.00 C ATOM 1113 CG ASP A 64 1.754 -9.696 -7.615 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.661 -10.429 -8.058 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.598 -9.694 -8.085 1.00 0.00 O ATOM 0 H ASP A 64 2.639 -5.856 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 64 3.803 -7.825 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.654 -9.286 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.153 -8.427 -6.008 1.00 0.00 H new ATOM 1120 N ASN A 65 2.074 -7.187 -9.177 1.00 0.00 N ATOM 1121 CA ASN A 65 1.347 -6.560 -10.277 1.00 0.00 C ATOM 1122 C ASN A 65 -0.090 -6.257 -9.874 1.00 0.00 C ATOM 1123 O ASN A 65 -0.600 -5.178 -10.157 1.00 0.00 O ATOM 1124 CB ASN A 65 1.357 -7.496 -11.490 1.00 0.00 C ATOM 1125 CG ASN A 65 0.983 -6.806 -12.788 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.067 -6.184 -12.904 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.846 -6.922 -13.778 1.00 0.00 N ATOM 0 H ASN A 65 2.589 -8.024 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 65 1.838 -5.620 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.350 -7.934 -11.593 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.663 -8.318 -11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.650 -6.486 -14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.709 -7.448 -13.643 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.731 -7.210 -9.208 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.108 -7.041 -8.771 1.00 0.00 C ATOM 1136 C ASP A 66 -2.253 -5.814 -7.861 1.00 0.00 C ATOM 1137 O ASP A 66 -3.121 -4.970 -8.074 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.583 -8.292 -8.034 1.00 0.00 C ATOM 1139 CG ASP A 66 -4.093 -8.391 -7.971 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.773 -7.662 -8.726 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.604 -9.218 -7.193 1.00 0.00 O ATOM 0 H ASP A 66 -0.317 -8.108 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.726 -6.886 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.185 -9.176 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.180 -8.288 -7.021 1.00 0.00 H new ATOM 1146 N SER A 67 -1.389 -5.714 -6.854 1.00 0.00 N ATOM 1147 CA SER A 67 -1.424 -4.585 -5.918 1.00 0.00 C ATOM 1148 C SER A 67 -0.970 -3.314 -6.581 1.00 0.00 C ATOM 1149 O SER A 67 -1.350 -2.219 -6.179 1.00 0.00 O ATOM 1150 CB SER A 67 -0.512 -4.837 -4.741 1.00 0.00 C ATOM 1151 OG SER A 67 -0.240 -6.223 -4.603 1.00 0.00 O ATOM 0 H SER A 67 -0.656 -6.397 -6.662 1.00 0.00 H new ATOM 0 HA SER A 67 -2.457 -4.484 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.421 -4.290 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.975 -4.460 -3.829 1.00 0.00 H new ATOM 0 HG SER A 67 -0.399 -6.497 -3.676 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.143 -3.467 -7.586 1.00 0.00 N ATOM 1158 CA TYR A 68 0.372 -2.330 -8.301 1.00 0.00 C ATOM 1159 C TYR A 68 -0.738 -1.698 -9.114 1.00 0.00 C ATOM 1160 O TYR A 68 -0.877 -0.480 -9.129 1.00 0.00 O ATOM 1161 CB TYR A 68 1.535 -2.756 -9.188 1.00 0.00 C ATOM 1162 CG TYR A 68 2.155 -1.633 -9.961 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.475 -0.427 -9.355 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.420 -1.781 -11.309 1.00 0.00 C ATOM 1165 CE1 TYR A 68 3.040 0.597 -10.077 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.985 -0.764 -12.027 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.291 0.418 -11.412 1.00 0.00 C ATOM 1168 OH TYR A 68 3.856 1.421 -12.139 1.00 0.00 O ATOM 0 H TYR A 68 0.187 -4.370 -7.926 1.00 0.00 H new ATOM 0 HA TYR A 68 0.744 -1.588 -7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.300 -3.222 -8.567 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.186 -3.516 -9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.278 -0.291 -8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.178 -2.711 -11.801 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.284 1.533 -9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.189 -0.894 -13.079 1.00 0.00 H new ATOM 0 HH TYR A 68 4.832 1.353 -12.086 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.556 -2.527 -9.758 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.674 -2.004 -10.521 1.00 0.00 C ATOM 1180 C VAL A 69 -3.700 -1.444 -9.532 1.00 0.00 C ATOM 1181 O VAL A 69 -4.456 -0.528 -9.845 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.322 -3.056 -11.445 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.311 -2.391 -12.387 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.265 -3.800 -12.250 1.00 0.00 C ATOM 0 H VAL A 69 -1.465 -3.543 -9.765 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.304 -1.221 -11.184 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.850 -3.775 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.761 -3.145 -13.033 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.091 -1.898 -11.807 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.792 -1.653 -12.998 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.748 -4.536 -12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.709 -3.091 -12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.580 -4.307 -11.570 1.00 0.00 H new ATOM 1194 N SER A 70 -3.664 -1.963 -8.301 1.00 0.00 N ATOM 1195 CA SER A 70 -4.534 -1.468 -7.237 1.00 0.00 C ATOM 1196 C SER A 70 -4.056 -0.074 -6.847 1.00 0.00 C ATOM 1197 O SER A 70 -4.827 0.884 -6.885 1.00 0.00 O ATOM 1198 CB SER A 70 -4.526 -2.404 -6.023 1.00 0.00 C ATOM 1199 OG SER A 70 -5.353 -1.909 -4.978 1.00 0.00 O ATOM 0 H SER A 70 -3.044 -2.722 -8.020 1.00 0.00 H new ATOM 0 HA SER A 70 -5.562 -1.429 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.870 -3.394 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.506 -2.519 -5.657 1.00 0.00 H new ATOM 0 HG SER A 70 -6.295 -2.040 -5.216 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.757 0.047 -6.518 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.175 1.357 -6.190 1.00 0.00 C ATOM 1207 C PHE A 71 -2.415 2.322 -7.364 1.00 0.00 C ATOM 1208 O PHE A 71 -2.738 3.498 -7.176 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.678 1.206 -5.872 1.00 0.00 C ATOM 1210 CG PHE A 71 0.103 2.499 -5.821 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.248 3.520 -4.945 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.202 2.682 -6.648 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.485 4.694 -4.903 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.935 3.854 -6.607 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.578 4.863 -5.731 1.00 0.00 C ATOM 0 H PHE A 71 -2.102 -0.733 -6.473 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.655 1.769 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.576 0.701 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.227 0.557 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.099 3.396 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.489 1.898 -7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.201 5.481 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.786 3.981 -7.259 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.151 5.778 -5.694 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.307 1.777 -8.578 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.564 2.528 -9.809 1.00 0.00 C ATOM 1227 C TYR A 72 -3.992 3.065 -9.789 1.00 0.00 C ATOM 1228 O TYR A 72 -4.237 4.247 -10.028 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.387 1.585 -11.003 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.898 2.121 -12.321 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.194 3.084 -13.026 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.097 1.661 -12.859 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.667 3.574 -14.229 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.573 2.147 -14.062 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.854 3.104 -14.741 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.328 3.602 -15.936 1.00 0.00 O ATOM 0 H TYR A 72 -2.040 0.805 -8.735 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.869 3.364 -9.889 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.327 1.352 -11.109 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.899 0.648 -10.786 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.261 3.458 -12.630 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.665 0.912 -12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.106 4.324 -14.766 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.504 1.778 -14.467 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.177 3.165 -16.159 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.920 2.167 -9.488 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.344 2.486 -9.407 1.00 0.00 C ATOM 1248 C ASN A 73 -6.613 3.556 -8.344 1.00 0.00 C ATOM 1249 O ASN A 73 -7.513 4.385 -8.493 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.140 1.205 -9.102 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.595 1.462 -8.775 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.312 2.108 -9.541 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.041 0.949 -7.638 1.00 0.00 N ATOM 0 H ASN A 73 -4.707 1.189 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.667 2.890 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.081 0.537 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.673 0.688 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.015 1.082 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.410 0.421 -7.035 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.816 3.548 -7.281 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.961 4.529 -6.211 1.00 0.00 C ATOM 1262 C ALA A 74 -5.619 5.926 -6.722 1.00 0.00 C ATOM 1263 O ALA A 74 -6.233 6.914 -6.316 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.093 4.148 -5.021 1.00 0.00 C ATOM 0 H ALA A 74 -5.064 2.874 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.999 4.538 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.212 4.890 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.396 3.169 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.048 4.112 -5.330 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.662 5.993 -7.638 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.255 7.261 -8.240 1.00 0.00 C ATOM 1272 C LEU A 75 -5.399 7.811 -9.083 1.00 0.00 C ATOM 1273 O LEU A 75 -5.606 9.023 -9.157 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.996 7.067 -9.098 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.755 6.595 -8.331 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.682 6.096 -9.294 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.192 7.717 -7.468 1.00 0.00 C ATOM 0 H LEU A 75 -4.150 5.182 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.019 7.975 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.217 6.343 -9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.762 8.010 -9.592 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.057 5.772 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.189 5.766 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.074 5.262 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.393 6.903 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.312 7.358 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.913 8.559 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.947 8.038 -6.750 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.166 6.905 -9.686 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.318 7.290 -10.497 1.00 0.00 C ATOM 1291 C LEU A 76 -8.513 7.597 -9.611 1.00 0.00 C ATOM 1292 O LEU A 76 -9.449 8.279 -10.029 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.704 6.196 -11.501 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.919 6.195 -12.815 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.497 5.697 -12.609 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.645 5.346 -13.845 1.00 0.00 C ATOM 0 H LEU A 76 -6.010 5.899 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.031 8.182 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.575 5.226 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.764 6.298 -11.732 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.855 7.220 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.966 5.708 -13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.984 6.346 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.521 4.679 -12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.083 5.348 -14.779 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.734 4.324 -13.477 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.640 5.757 -14.019 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.468 7.096 -8.380 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.530 7.323 -7.419 1.00 0.00 C ATOM 1310 C HIS A 77 -9.481 8.763 -6.949 1.00 0.00 C ATOM 1311 O HIS A 77 -10.497 9.347 -6.582 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.385 6.364 -6.243 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.392 5.255 -6.253 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.753 5.466 -6.227 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.223 3.918 -6.280 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.379 4.302 -6.236 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.471 3.348 -6.271 1.00 0.00 N ATOM 0 H HIS A 77 -7.699 6.526 -8.027 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.496 7.138 -7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.383 5.935 -6.255 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.481 6.924 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.280 3.393 -6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.449 4.158 -6.218 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.665 2.347 -6.289 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.288 9.327 -7.004 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.072 10.706 -6.631 1.00 0.00 C ATOM 1328 C GLU A 78 -7.755 11.517 -7.886 1.00 0.00 C ATOM 1329 O GLU A 78 -8.321 11.251 -8.946 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.963 10.813 -5.577 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.358 10.215 -4.242 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.594 10.873 -3.656 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.889 12.031 -4.022 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.265 10.244 -2.813 1.00 0.00 O ATOM 0 H GLU A 78 -7.445 8.840 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.975 11.115 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.069 10.309 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.702 11.862 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.542 9.148 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.529 10.317 -3.542 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.878 12.502 -7.783 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.556 13.313 -8.943 1.00 0.00 C ATOM 1343 C GLY A 79 -5.132 13.125 -9.427 1.00 0.00 C ATOM 1344 O GLY A 79 -4.448 14.104 -9.726 1.00 0.00 O ATOM 0 H GLY A 79 -6.386 12.755 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.243 13.067 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.714 14.363 -8.699 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.673 11.877 -9.497 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.310 11.599 -9.939 1.00 0.00 C ATOM 1350 C TYR A 80 -3.321 10.600 -11.090 1.00 0.00 C ATOM 1351 O TYR A 80 -2.628 9.577 -11.064 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.473 11.074 -8.763 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.651 11.886 -7.493 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.867 13.004 -7.240 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.630 11.548 -6.561 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.050 13.757 -6.095 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.820 12.300 -5.420 1.00 0.00 C ATOM 1358 CZ TYR A 80 -3.031 13.399 -5.192 1.00 0.00 C ATOM 1359 OH TYR A 80 -3.234 14.150 -4.059 1.00 0.00 O ATOM 0 H TYR A 80 -5.219 11.050 -9.256 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.856 12.523 -10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.746 10.038 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.420 11.078 -9.045 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.103 13.289 -7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.251 10.682 -6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.429 14.621 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.586 12.025 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.963 13.759 -3.534 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.121 10.907 -12.104 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.245 10.045 -13.270 1.00 0.00 C ATOM 1371 C LYS A 81 -3.064 10.224 -14.224 1.00 0.00 C ATOM 1372 O LYS A 81 -2.824 9.365 -15.066 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.572 10.291 -14.005 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.637 11.593 -14.786 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.941 11.691 -15.568 1.00 0.00 C ATOM 1376 CE LYS A 81 -6.968 12.907 -16.485 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.238 12.991 -17.252 1.00 0.00 N ATOM 0 H LYS A 81 -4.695 11.750 -12.141 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.238 9.015 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.750 9.463 -14.691 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.382 10.280 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.554 12.437 -14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.791 11.654 -15.471 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.076 10.787 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.778 11.744 -14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.841 13.813 -15.892 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.128 12.859 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.219 13.831 -17.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.347 12.138 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.038 13.062 -16.592 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.320 11.325 -14.090 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.169 11.546 -14.963 1.00 0.00 C ATOM 1393 C ASP A 82 0.036 10.769 -14.452 1.00 0.00 C ATOM 1394 O ASP A 82 0.830 10.271 -15.245 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.852 13.038 -15.154 1.00 0.00 C ATOM 1396 CG ASP A 82 -0.289 13.733 -13.930 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.839 13.413 -13.509 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -0.971 14.633 -13.397 1.00 0.00 O ATOM 0 H ASP A 82 -2.489 12.060 -13.403 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.426 11.168 -15.953 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.139 13.141 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.764 13.552 -15.459 1.00 0.00 H new ATOM 1403 N LEU A 83 0.140 10.618 -13.133 1.00 0.00 N ATOM 1404 CA LEU A 83 1.226 9.838 -12.546 1.00 0.00 C ATOM 1405 C LEU A 83 0.980 8.390 -12.908 1.00 0.00 C ATOM 1406 O LEU A 83 1.865 7.684 -13.374 1.00 0.00 O ATOM 1407 CB LEU A 83 1.258 9.990 -11.018 1.00 0.00 C ATOM 1408 CG LEU A 83 2.646 9.952 -10.356 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.351 8.623 -10.584 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.511 11.091 -10.859 1.00 0.00 C ATOM 0 H LEU A 83 -0.508 11.021 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 83 2.184 10.189 -12.929 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.782 10.935 -10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.650 9.197 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 83 2.491 10.067 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.327 8.641 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.751 7.816 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.480 8.458 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.488 11.046 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.634 11.005 -11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.034 12.042 -10.622 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.259 7.974 -12.715 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.682 6.626 -13.040 1.00 0.00 C ATOM 1424 C ALA A 84 -0.501 6.354 -14.535 1.00 0.00 C ATOM 1425 O ALA A 84 -0.166 5.241 -14.935 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.132 6.440 -12.630 1.00 0.00 C ATOM 0 H ALA A 84 -0.998 8.561 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.065 5.913 -12.493 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.452 5.427 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.230 6.603 -11.557 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.756 7.156 -13.165 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.701 7.386 -15.354 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.541 7.260 -16.802 1.00 0.00 C ATOM 1434 C ALA A 85 0.907 6.950 -17.137 1.00 0.00 C ATOM 1435 O ALA A 85 1.196 6.161 -18.037 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.009 8.525 -17.513 1.00 0.00 C ATOM 0 H ALA A 85 -0.974 8.317 -15.040 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.163 6.436 -17.153 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.880 8.407 -18.589 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.062 8.699 -17.291 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.420 9.375 -17.168 1.00 0.00 H new ATOM 1442 N LEU A 86 1.813 7.548 -16.373 1.00 0.00 N ATOM 1443 CA LEU A 86 3.246 7.319 -16.547 1.00 0.00 C ATOM 1444 C LEU A 86 3.578 5.856 -16.282 1.00 0.00 C ATOM 1445 O LEU A 86 4.550 5.314 -16.809 1.00 0.00 O ATOM 1446 CB LEU A 86 4.047 8.195 -15.580 1.00 0.00 C ATOM 1447 CG LEU A 86 3.866 9.703 -15.747 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.340 10.430 -14.501 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.630 10.202 -16.960 1.00 0.00 C ATOM 0 H LEU A 86 1.581 8.199 -15.623 1.00 0.00 H new ATOM 0 HA LEU A 86 3.511 7.576 -17.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.771 7.925 -14.561 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.105 7.959 -15.697 1.00 0.00 H new ATOM 0 HG LEU A 86 2.806 9.907 -15.895 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.206 11.504 -14.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.760 10.095 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.395 10.214 -14.333 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.488 11.278 -17.062 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.691 9.986 -16.836 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.260 9.701 -17.855 1.00 0.00 H new ATOM 1461 N LEU A 87 2.767 5.241 -15.440 1.00 0.00 N ATOM 1462 CA LEU A 87 2.943 3.852 -15.046 1.00 0.00 C ATOM 1463 C LEU A 87 2.092 2.921 -15.899 1.00 0.00 C ATOM 1464 O LEU A 87 2.292 1.707 -15.886 1.00 0.00 O ATOM 1465 CB LEU A 87 2.533 3.681 -13.589 1.00 0.00 C ATOM 1466 CG LEU A 87 3.489 4.227 -12.512 1.00 0.00 C ATOM 1467 CD1 LEU A 87 3.983 5.631 -12.828 1.00 0.00 C ATOM 1468 CD2 LEU A 87 2.790 4.212 -11.158 1.00 0.00 C ATOM 0 H LEU A 87 1.962 5.693 -15.007 1.00 0.00 H new ATOM 0 HA LEU A 87 3.993 3.596 -15.185 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.564 4.162 -13.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.389 2.617 -13.403 1.00 0.00 H new ATOM 0 HG LEU A 87 4.365 3.579 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.653 5.968 -12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.518 5.623 -13.778 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.132 6.309 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.466 4.598 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.898 4.837 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.505 3.190 -10.907 1.00 0.00 H new ATOM 1480 N HIS A 88 1.133 3.486 -16.624 1.00 0.00 N ATOM 1481 CA HIS A 88 0.233 2.706 -17.474 1.00 0.00 C ATOM 1482 C HIS A 88 1.012 2.007 -18.566 1.00 0.00 C ATOM 1483 O HIS A 88 0.554 1.032 -19.163 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.826 3.615 -18.084 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.928 2.892 -18.802 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -1.910 2.635 -20.153 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -3.083 2.368 -18.340 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.006 1.984 -20.493 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.740 1.809 -19.409 1.00 0.00 N ATOM 0 H HIS A 88 0.956 4.490 -16.641 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.259 1.951 -16.861 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.263 4.224 -17.293 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.342 4.298 -18.782 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.428 2.385 -17.317 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.260 1.651 -21.488 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.644 1.338 -19.372 1.00 0.00 H new ATOM 1498 N ASP A 89 2.214 2.501 -18.793 1.00 0.00 N ATOM 1499 CA ASP A 89 3.107 1.923 -19.790 1.00 0.00 C ATOM 1500 C ASP A 89 3.543 0.532 -19.331 1.00 0.00 C ATOM 1501 O ASP A 89 3.998 -0.292 -20.123 1.00 0.00 O ATOM 1502 CB ASP A 89 4.331 2.820 -20.009 1.00 0.00 C ATOM 1503 CG ASP A 89 5.128 2.437 -21.242 1.00 0.00 C ATOM 1504 OD1 ASP A 89 4.567 2.491 -22.359 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.327 2.103 -21.107 1.00 0.00 O ATOM 0 H ASP A 89 2.600 3.306 -18.299 1.00 0.00 H new ATOM 0 HA ASP A 89 2.576 1.843 -20.738 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.005 3.856 -20.100 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.977 2.765 -19.133 1.00 0.00 H new ATOM 1510 N GLY A 90 3.376 0.288 -18.037 1.00 0.00 N ATOM 1511 CA GLY A 90 3.726 -0.991 -17.452 1.00 0.00 C ATOM 1512 C GLY A 90 2.501 -1.784 -17.021 1.00 0.00 C ATOM 1513 O GLY A 90 2.570 -3.001 -16.850 1.00 0.00 O ATOM 0 H GLY A 90 2.998 0.965 -17.374 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.298 -1.574 -18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.373 -0.829 -16.590 1.00 0.00 H new ATOM 1517 N ILE A 91 1.381 -1.086 -16.833 1.00 0.00 N ATOM 1518 CA ILE A 91 0.134 -1.715 -16.408 1.00 0.00 C ATOM 1519 C ILE A 91 -0.509 -2.502 -17.552 1.00 0.00 C ATOM 1520 O ILE A 91 -0.887 -1.929 -18.576 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.877 -0.661 -15.892 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.284 0.137 -14.730 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.181 -1.314 -15.470 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.086 -0.707 -13.534 1.00 0.00 C ATOM 0 H ILE A 91 1.314 -0.077 -16.970 1.00 0.00 H new ATOM 0 HA ILE A 91 0.385 -2.400 -15.598 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.088 0.025 -16.713 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.604 0.664 -15.080 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.002 0.895 -14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.871 -0.550 -15.112 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.622 -1.831 -16.323 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.987 -2.031 -14.672 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.499 -0.069 -12.753 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.803 -1.213 -13.157 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.829 -1.449 -13.828 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.639 -3.828 -17.389 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.237 -4.695 -18.408 1.00 0.00 C ATOM 1538 C PRO A 92 -2.715 -4.378 -18.629 1.00 0.00 C ATOM 1539 O PRO A 92 -3.088 -3.800 -19.651 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.069 -6.109 -17.836 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.056 -5.978 -16.744 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.213 -4.587 -16.204 1.00 0.00 C ATOM 0 HA PRO A 92 -0.763 -4.566 -19.381 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.014 -6.492 -17.451 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.732 -6.806 -18.603 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.223 -6.721 -15.964 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.953 -6.138 -17.125 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.955 -4.543 -15.407 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.721 -4.205 -15.792 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.555 -4.738 -17.664 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.983 -4.473 -17.762 1.00 0.00 C ATOM 1552 C VAL A 93 -5.550 -3.963 -16.441 1.00 0.00 C ATOM 1553 O VAL A 93 -5.260 -4.503 -15.373 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.776 -5.731 -18.193 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -5.481 -6.089 -19.642 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.446 -6.916 -17.294 1.00 0.00 C ATOM 0 H VAL A 93 -3.271 -5.213 -16.807 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.096 -3.703 -18.526 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.837 -5.500 -18.096 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.050 -6.976 -19.921 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.765 -5.258 -20.287 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.416 -6.290 -19.758 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.016 -7.787 -17.617 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.380 -7.135 -17.357 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.706 -6.674 -16.263 1.00 0.00 H new ATOM 1566 N VAL A 94 -6.377 -2.933 -16.529 1.00 0.00 N ATOM 1567 CA VAL A 94 -7.015 -2.360 -15.356 1.00 0.00 C ATOM 1568 C VAL A 94 -8.537 -2.535 -15.468 1.00 0.00 C ATOM 1569 O VAL A 94 -9.310 -1.578 -15.565 1.00 0.00 O ATOM 1570 CB VAL A 94 -6.615 -0.872 -15.154 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -6.992 -0.022 -16.361 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -7.212 -0.307 -13.871 1.00 0.00 C ATOM 0 H VAL A 94 -6.623 -2.475 -17.407 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.667 -2.891 -14.470 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.530 -0.837 -15.057 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.697 1.012 -16.184 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.479 -0.399 -17.246 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.070 -0.070 -16.518 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.913 0.735 -13.759 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.299 -0.370 -13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.851 -0.881 -13.018 1.00 0.00 H new ATOM 1582 N SER A 95 -8.956 -3.789 -15.469 1.00 0.00 N ATOM 1583 CA SER A 95 -10.362 -4.130 -15.574 1.00 0.00 C ATOM 1584 C SER A 95 -10.997 -4.205 -14.190 1.00 0.00 C ATOM 1585 O SER A 95 -12.154 -3.826 -14.008 1.00 0.00 O ATOM 1586 CB SER A 95 -10.526 -5.460 -16.305 1.00 0.00 C ATOM 1587 OG SER A 95 -9.838 -5.444 -17.546 1.00 0.00 O ATOM 0 H SER A 95 -8.334 -4.594 -15.397 1.00 0.00 H new ATOM 0 HA SER A 95 -10.868 -3.351 -16.144 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.145 -6.270 -15.684 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.584 -5.659 -16.474 1.00 0.00 H new ATOM 0 HG SER A 95 -9.955 -6.307 -17.996 1.00 0.00 H new ATOM 1593 N SER A 96 -10.234 -4.682 -13.214 1.00 0.00 N ATOM 1594 CA SER A 96 -10.723 -4.787 -11.847 1.00 0.00 C ATOM 1595 C SER A 96 -10.368 -3.531 -11.054 1.00 0.00 C ATOM 1596 O SER A 96 -9.191 -3.220 -10.855 1.00 0.00 O ATOM 1597 CB SER A 96 -10.147 -6.038 -11.175 1.00 0.00 C ATOM 1598 OG SER A 96 -8.745 -6.134 -11.381 1.00 0.00 O ATOM 0 H SER A 96 -9.274 -5.002 -13.345 1.00 0.00 H new ATOM 0 HA SER A 96 -11.809 -4.877 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.359 -6.010 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.637 -6.926 -11.574 1.00 0.00 H new ATOM 0 HG SER A 96 -8.345 -5.241 -11.328 1.00 0.00 H new ATOM 1604 N SER A 97 -11.387 -2.802 -10.619 1.00 0.00 N ATOM 1605 CA SER A 97 -11.190 -1.576 -9.862 1.00 0.00 C ATOM 1606 C SER A 97 -12.081 -1.573 -8.622 1.00 0.00 C ATOM 1607 O SER A 97 -11.548 -1.682 -7.499 1.00 0.00 O ATOM 1608 CB SER A 97 -11.497 -0.361 -10.743 1.00 0.00 C ATOM 1609 OG SER A 97 -10.825 -0.459 -11.991 1.00 0.00 O ATOM 1610 OXT SER A 97 -13.315 -1.482 -8.771 1.00 0.00 O ATOM 0 H SER A 97 -12.365 -3.042 -10.780 1.00 0.00 H new ATOM 0 HA SER A 97 -10.150 -1.522 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.572 -0.289 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.191 0.551 -10.231 1.00 0.00 H new ATOM 0 HG SER A 97 -11.036 0.326 -12.539 1.00 0.00 H new TER 1616 SER A 97