USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 MET CE :methyl 168:sc= -0.0142 (180deg=-0.205) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0851 (180deg=-0.0108) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0354 (180deg=-0.248) USER MOD Single : A 9 SER OG : rot -74:sc= 0.153 USER MOD Single : A 10 TYR OH : rot -19:sc= 0.505 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0706) USER MOD Single : A 16 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.9!) USER MOD Single : A 17 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.8) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.6) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.87! C(o=-4.6!,f=-2.9!) USER MOD Single : A 22 MET CE :methyl -131:sc= -0.0588 (180deg=-0.881) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc=-0.00438 (180deg=-0.0773) USER MOD Single : A 30 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 31 SER OG : rot 112:sc= 0.232 USER MOD Single : A 36 SER OG : rot -27:sc= 0.166 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.415 (180deg=0.311) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc=-0.00338 (180deg=-0.0402) USER MOD Single : A 47 SER OG : rot -74:sc= 1.22 USER MOD Single : A 49 SER OG : rot 150:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.446) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.415) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.775 X(o=-0.77,f=-0.97) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.845 6.490 1.113 1.00 20.42 N ATOM 2 CA MET A 1 -14.255 5.857 -0.100 1.00 12.05 C ATOM 3 C MET A 1 -13.031 5.004 0.278 1.00 63.05 C ATOM 4 O MET A 1 -12.528 5.079 1.409 1.00 63.45 O ATOM 5 CB MET A 1 -13.843 6.936 -1.148 1.00 60.03 C ATOM 6 CG MET A 1 -15.010 7.707 -1.788 1.00 55.14 C ATOM 7 SD MET A 1 -14.462 9.026 -2.907 1.00 12.43 S ATOM 8 CE MET A 1 -13.614 8.113 -4.198 1.00 2.44 C ATOM 0 H1 MET A 1 -15.793 6.098 1.283 1.00 20.42 H new ATOM 0 H2 MET A 1 -14.238 6.297 1.935 1.00 20.42 H new ATOM 0 H3 MET A 1 -14.916 7.517 0.969 1.00 20.42 H new ATOM 0 HA MET A 1 -15.014 5.213 -0.544 1.00 12.05 H new ATOM 0 HB2 MET A 1 -13.177 7.652 -0.666 1.00 60.03 H new ATOM 0 HB3 MET A 1 -13.271 6.451 -1.939 1.00 60.03 H new ATOM 0 HG2 MET A 1 -15.640 7.009 -2.340 1.00 55.14 H new ATOM 0 HG3 MET A 1 -15.627 8.140 -1.001 1.00 55.14 H new ATOM 0 HE1 MET A 1 -13.420 8.773 -5.043 1.00 2.44 H new ATOM 0 HE2 MET A 1 -12.669 7.730 -3.812 1.00 2.44 H new ATOM 0 HE3 MET A 1 -14.237 7.280 -4.524 1.00 2.44 H new ATOM 20 N ARG A 2 -12.579 4.174 -0.684 1.00 51.21 N ATOM 21 CA ARG A 2 -11.300 3.435 -0.610 1.00 53.20 C ATOM 22 C ARG A 2 -10.504 3.696 -1.905 1.00 43.41 C ATOM 23 O ARG A 2 -11.090 3.731 -2.992 1.00 73.21 O ATOM 24 CB ARG A 2 -11.527 1.903 -0.417 1.00 73.52 C ATOM 25 CG ARG A 2 -12.380 1.524 0.811 1.00 43.21 C ATOM 26 CD ARG A 2 -12.452 0.005 1.045 1.00 2.45 C ATOM 27 NE ARG A 2 -12.941 -0.742 -0.132 1.00 43.33 N ATOM 28 CZ ARG A 2 -14.069 -1.470 -0.185 1.00 24.04 C ATOM 29 NH1 ARG A 2 -14.877 -1.571 0.871 1.00 72.21 N ATOM 30 NH2 ARG A 2 -14.352 -2.135 -1.296 1.00 62.13 N ATOM 0 H ARG A 2 -13.097 3.995 -1.544 1.00 51.21 H new ATOM 0 HA ARG A 2 -10.741 3.789 0.256 1.00 53.20 H new ATOM 0 HB2 ARG A 2 -12.007 1.506 -1.311 1.00 73.52 H new ATOM 0 HB3 ARG A 2 -10.556 1.414 -0.332 1.00 73.52 H new ATOM 0 HG2 ARG A 2 -11.965 2.004 1.697 1.00 43.21 H new ATOM 0 HG3 ARG A 2 -13.389 1.915 0.680 1.00 43.21 H new ATOM 0 HD2 ARG A 2 -11.462 -0.362 1.315 1.00 2.45 H new ATOM 0 HD3 ARG A 2 -13.108 -0.195 1.892 1.00 2.45 H new ATOM 0 HE ARG A 2 -12.373 -0.702 -0.978 1.00 43.33 H new ATOM 0 HH11 ARG A 2 -14.643 -1.090 1.740 1.00 72.21 H new ATOM 0 HH12 ARG A 2 -15.729 -2.129 0.810 1.00 72.21 H new ATOM 0 HH21 ARG A 2 -13.718 -2.089 -2.093 1.00 62.13 H new ATOM 0 HH22 ARG A 2 -15.204 -2.693 -1.354 1.00 62.13 H new ATOM 44 N ILE A 3 -9.179 3.888 -1.784 1.00 40.10 N ATOM 45 CA ILE A 3 -8.299 4.180 -2.937 1.00 61.12 C ATOM 46 C ILE A 3 -7.615 2.890 -3.434 1.00 44.00 C ATOM 47 O ILE A 3 -7.088 2.114 -2.638 1.00 3.45 O ATOM 48 CB ILE A 3 -7.223 5.271 -2.567 1.00 50.32 C ATOM 49 CG1 ILE A 3 -7.930 6.597 -2.134 1.00 2.41 C ATOM 50 CG2 ILE A 3 -6.248 5.521 -3.745 1.00 70.41 C ATOM 51 CD1 ILE A 3 -6.999 7.746 -1.807 1.00 10.33 C ATOM 0 H ILE A 3 -8.687 3.846 -0.891 1.00 40.10 H new ATOM 0 HA ILE A 3 -8.917 4.578 -3.742 1.00 61.12 H new ATOM 0 HB ILE A 3 -6.633 4.901 -1.729 1.00 50.32 H new ATOM 0 HG12 ILE A 3 -8.601 6.910 -2.934 1.00 2.41 H new ATOM 0 HG13 ILE A 3 -8.549 6.392 -1.261 1.00 2.41 H new ATOM 0 HG21 ILE A 3 -5.518 6.278 -3.459 1.00 70.41 H new ATOM 0 HG22 ILE A 3 -5.731 4.594 -3.992 1.00 70.41 H new ATOM 0 HG23 ILE A 3 -6.808 5.867 -4.614 1.00 70.41 H new ATOM 0 HD11 ILE A 3 -7.585 8.618 -1.518 1.00 10.33 H new ATOM 0 HD12 ILE A 3 -6.344 7.461 -0.984 1.00 10.33 H new ATOM 0 HD13 ILE A 3 -6.397 7.987 -2.683 1.00 10.33 H new ATOM 63 N LYS A 4 -7.614 2.698 -4.760 1.00 53.11 N ATOM 64 CA LYS A 4 -7.069 1.506 -5.415 1.00 23.05 C ATOM 65 C LYS A 4 -5.580 1.742 -5.712 1.00 3.13 C ATOM 66 O LYS A 4 -5.239 2.713 -6.391 1.00 0.35 O ATOM 67 CB LYS A 4 -7.859 1.252 -6.725 1.00 1.53 C ATOM 68 CG LYS A 4 -7.586 -0.104 -7.410 1.00 64.14 C ATOM 69 CD LYS A 4 -8.465 -0.311 -8.671 1.00 4.13 C ATOM 70 CE LYS A 4 -8.427 -1.748 -9.213 1.00 40.51 C ATOM 71 NZ LYS A 4 -8.936 -2.743 -8.224 1.00 12.15 N ATOM 0 H LYS A 4 -7.998 3.378 -5.416 1.00 53.11 H new ATOM 0 HA LYS A 4 -7.164 0.631 -4.772 1.00 23.05 H new ATOM 0 HB2 LYS A 4 -8.925 1.321 -6.506 1.00 1.53 H new ATOM 0 HB3 LYS A 4 -7.626 2.050 -7.430 1.00 1.53 H new ATOM 0 HG2 LYS A 4 -6.534 -0.163 -7.689 1.00 64.14 H new ATOM 0 HG3 LYS A 4 -7.774 -0.911 -6.702 1.00 64.14 H new ATOM 0 HD2 LYS A 4 -9.496 -0.047 -8.433 1.00 4.13 H new ATOM 0 HD3 LYS A 4 -8.133 0.373 -9.452 1.00 4.13 H new ATOM 0 HE2 LYS A 4 -9.024 -1.806 -10.123 1.00 40.51 H new ATOM 0 HE3 LYS A 4 -7.403 -2.003 -9.487 1.00 40.51 H new ATOM 0 HZ1 LYS A 4 -9.131 -3.644 -8.706 1.00 12.15 H new ATOM 0 HZ2 LYS A 4 -8.221 -2.894 -7.484 1.00 12.15 H new ATOM 0 HZ3 LYS A 4 -9.812 -2.386 -7.791 1.00 12.15 H new ATOM 85 N GLY A 5 -4.708 0.877 -5.176 1.00 14.41 N ATOM 86 CA GLY A 5 -3.255 0.977 -5.380 1.00 64.04 C ATOM 87 C GLY A 5 -2.690 -0.254 -6.052 1.00 60.25 C ATOM 88 O GLY A 5 -3.424 -1.200 -6.302 1.00 43.34 O ATOM 0 H GLY A 5 -4.988 0.090 -4.590 1.00 14.41 H new ATOM 0 HA2 GLY A 5 -3.034 1.855 -5.987 1.00 64.04 H new ATOM 0 HA3 GLY A 5 -2.763 1.123 -4.418 1.00 64.04 H new ATOM 92 N VAL A 6 -1.380 -0.236 -6.355 1.00 4.23 N ATOM 93 CA VAL A 6 -0.665 -1.370 -6.981 1.00 2.41 C ATOM 94 C VAL A 6 0.548 -1.752 -6.123 1.00 52.45 C ATOM 95 O VAL A 6 1.373 -0.889 -5.802 1.00 74.02 O ATOM 96 CB VAL A 6 -0.180 -1.024 -8.445 1.00 75.22 C ATOM 97 CG1 VAL A 6 0.617 -2.189 -9.081 1.00 70.43 C ATOM 98 CG2 VAL A 6 -1.369 -0.624 -9.340 1.00 43.42 C ATOM 0 H VAL A 6 -0.781 0.569 -6.173 1.00 4.23 H new ATOM 0 HA VAL A 6 -1.362 -2.206 -7.045 1.00 2.41 H new ATOM 0 HB VAL A 6 0.495 -0.172 -8.367 1.00 75.22 H new ATOM 0 HG11 VAL A 6 0.931 -1.909 -10.086 1.00 70.43 H new ATOM 0 HG12 VAL A 6 1.496 -2.403 -8.473 1.00 70.43 H new ATOM 0 HG13 VAL A 6 -0.014 -3.076 -9.132 1.00 70.43 H new ATOM 0 HG21 VAL A 6 -1.008 -0.391 -10.342 1.00 43.42 H new ATOM 0 HG22 VAL A 6 -2.079 -1.450 -9.393 1.00 43.42 H new ATOM 0 HG23 VAL A 6 -1.863 0.252 -8.919 1.00 43.42 H new ATOM 108 N VAL A 7 0.641 -3.043 -5.764 1.00 11.34 N ATOM 109 CA VAL A 7 1.782 -3.602 -5.026 1.00 51.33 C ATOM 110 C VAL A 7 3.016 -3.641 -5.949 1.00 23.44 C ATOM 111 O VAL A 7 3.132 -4.524 -6.812 1.00 21.11 O ATOM 112 CB VAL A 7 1.458 -5.047 -4.480 1.00 30.13 C ATOM 113 CG1 VAL A 7 2.623 -5.619 -3.639 1.00 63.51 C ATOM 114 CG2 VAL A 7 0.137 -5.054 -3.678 1.00 52.15 C ATOM 0 H VAL A 7 -0.080 -3.732 -5.980 1.00 11.34 H new ATOM 0 HA VAL A 7 1.988 -2.964 -4.167 1.00 51.33 H new ATOM 0 HB VAL A 7 1.333 -5.699 -5.344 1.00 30.13 H new ATOM 0 HG11 VAL A 7 2.360 -6.615 -3.282 1.00 63.51 H new ATOM 0 HG12 VAL A 7 3.520 -5.680 -4.255 1.00 63.51 H new ATOM 0 HG13 VAL A 7 2.811 -4.966 -2.787 1.00 63.51 H new ATOM 0 HG21 VAL A 7 -0.062 -6.062 -3.314 1.00 52.15 H new ATOM 0 HG22 VAL A 7 0.221 -4.372 -2.832 1.00 52.15 H new ATOM 0 HG23 VAL A 7 -0.682 -4.733 -4.322 1.00 52.15 H new ATOM 124 N LEU A 8 3.892 -2.640 -5.792 1.00 53.25 N ATOM 125 CA LEU A 8 5.124 -2.508 -6.587 1.00 24.42 C ATOM 126 C LEU A 8 6.140 -3.584 -6.167 1.00 42.23 C ATOM 127 O LEU A 8 6.695 -4.303 -7.011 1.00 40.43 O ATOM 128 CB LEU A 8 5.730 -1.087 -6.406 1.00 4.22 C ATOM 129 CG LEU A 8 4.792 0.126 -6.723 1.00 50.22 C ATOM 130 CD1 LEU A 8 5.535 1.472 -6.540 1.00 21.25 C ATOM 131 CD2 LEU A 8 4.172 0.014 -8.134 1.00 62.12 C ATOM 0 H LEU A 8 3.767 -1.894 -5.107 1.00 53.25 H new ATOM 0 HA LEU A 8 4.882 -2.649 -7.640 1.00 24.42 H new ATOM 0 HB2 LEU A 8 6.072 -0.992 -5.375 1.00 4.22 H new ATOM 0 HB3 LEU A 8 6.612 -1.010 -7.042 1.00 4.22 H new ATOM 0 HG LEU A 8 3.972 0.099 -6.006 1.00 50.22 H new ATOM 0 HD11 LEU A 8 4.858 2.295 -6.767 1.00 21.25 H new ATOM 0 HD12 LEU A 8 5.880 1.560 -5.510 1.00 21.25 H new ATOM 0 HD13 LEU A 8 6.391 1.510 -7.214 1.00 21.25 H new ATOM 0 HD21 LEU A 8 3.527 0.874 -8.317 1.00 62.12 H new ATOM 0 HD22 LEU A 8 4.967 -0.009 -8.880 1.00 62.12 H new ATOM 0 HD23 LEU A 8 3.584 -0.901 -8.201 1.00 62.12 H new ATOM 143 N SER A 9 6.333 -3.710 -4.846 1.00 71.53 N ATOM 144 CA SER A 9 7.298 -4.647 -4.259 1.00 32.25 C ATOM 145 C SER A 9 6.909 -4.982 -2.805 1.00 5.41 C ATOM 146 O SER A 9 6.130 -4.259 -2.179 1.00 34.50 O ATOM 147 CB SER A 9 8.727 -4.047 -4.322 1.00 54.30 C ATOM 148 OG SER A 9 9.702 -5.004 -3.931 1.00 54.41 O ATOM 0 H SER A 9 5.822 -3.162 -4.154 1.00 71.53 H new ATOM 0 HA SER A 9 7.285 -5.573 -4.834 1.00 32.25 H new ATOM 0 HB2 SER A 9 8.936 -3.704 -5.335 1.00 54.30 H new ATOM 0 HB3 SER A 9 8.788 -3.175 -3.671 1.00 54.30 H new ATOM 0 HG SER A 9 9.669 -5.127 -2.959 1.00 54.41 H new ATOM 154 N TYR A 10 7.431 -6.109 -2.288 1.00 63.44 N ATOM 155 CA TYR A 10 7.382 -6.437 -0.849 1.00 44.33 C ATOM 156 C TYR A 10 8.735 -6.083 -0.231 1.00 34.43 C ATOM 157 O TYR A 10 9.747 -5.980 -0.947 1.00 13.21 O ATOM 158 CB TYR A 10 7.083 -7.944 -0.608 1.00 14.22 C ATOM 159 CG TYR A 10 5.861 -8.471 -1.370 1.00 63.13 C ATOM 160 CD1 TYR A 10 4.562 -8.113 -0.999 1.00 54.41 C ATOM 161 CD2 TYR A 10 6.012 -9.312 -2.474 1.00 22.41 C ATOM 162 CE1 TYR A 10 3.468 -8.581 -1.705 1.00 13.42 C ATOM 163 CE2 TYR A 10 4.921 -9.769 -3.176 1.00 44.21 C ATOM 164 CZ TYR A 10 3.658 -9.403 -2.789 1.00 1.21 C ATOM 165 OH TYR A 10 2.581 -9.849 -3.510 1.00 40.10 O ATOM 0 H TYR A 10 7.898 -6.818 -2.854 1.00 63.44 H new ATOM 0 HA TYR A 10 6.577 -5.865 -0.388 1.00 44.33 H new ATOM 0 HB2 TYR A 10 7.957 -8.527 -0.897 1.00 14.22 H new ATOM 0 HB3 TYR A 10 6.930 -8.107 0.459 1.00 14.22 H new ATOM 0 HD1 TYR A 10 4.410 -7.463 -0.150 1.00 54.41 H new ATOM 0 HD2 TYR A 10 7.003 -9.609 -2.782 1.00 22.41 H new ATOM 0 HE1 TYR A 10 2.469 -8.301 -1.405 1.00 13.42 H new ATOM 0 HE2 TYR A 10 5.059 -10.415 -4.030 1.00 44.21 H new ATOM 0 HH TYR A 10 1.767 -9.758 -2.972 1.00 40.10 H new ATOM 175 N ARG A 11 8.760 -5.901 1.084 1.00 73.33 N ATOM 176 CA ARG A 11 10.000 -5.637 1.808 1.00 4.31 C ATOM 177 C ARG A 11 9.991 -6.477 3.093 1.00 73.02 C ATOM 178 O ARG A 11 9.260 -6.156 4.032 1.00 53.53 O ATOM 179 CB ARG A 11 10.122 -4.113 2.113 1.00 43.40 C ATOM 180 CG ARG A 11 11.573 -3.601 2.300 1.00 44.11 C ATOM 181 CD ARG A 11 12.200 -3.057 0.998 1.00 5.43 C ATOM 182 NE ARG A 11 12.055 -3.969 -0.153 1.00 51.11 N ATOM 183 CZ ARG A 11 12.433 -3.700 -1.419 1.00 50.20 C ATOM 184 NH1 ARG A 11 13.014 -2.538 -1.740 1.00 32.04 N ATOM 185 NH2 ARG A 11 12.191 -4.588 -2.371 1.00 1.42 N ATOM 0 H ARG A 11 7.929 -5.932 1.675 1.00 73.33 H new ATOM 0 HA ARG A 11 10.867 -5.916 1.209 1.00 4.31 H new ATOM 0 HB2 ARG A 11 9.657 -3.556 1.300 1.00 43.40 H new ATOM 0 HB3 ARG A 11 9.554 -3.891 3.017 1.00 43.40 H new ATOM 0 HG2 ARG A 11 11.579 -2.814 3.055 1.00 44.11 H new ATOM 0 HG3 ARG A 11 12.192 -4.413 2.681 1.00 44.11 H new ATOM 0 HD2 ARG A 11 11.738 -2.101 0.754 1.00 5.43 H new ATOM 0 HD3 ARG A 11 13.259 -2.865 1.167 1.00 5.43 H new ATOM 0 HE ARG A 11 11.633 -4.880 0.024 1.00 51.11 H new ATOM 0 HH11 ARG A 11 13.179 -1.834 -1.020 1.00 32.04 H new ATOM 0 HH12 ARG A 11 13.292 -2.356 -2.704 1.00 32.04 H new ATOM 0 HH21 ARG A 11 11.723 -5.465 -2.143 1.00 1.42 H new ATOM 0 HH22 ARG A 11 12.473 -4.395 -3.332 1.00 1.42 H new ATOM 199 N ARG A 12 10.804 -7.545 3.127 1.00 2.14 N ATOM 200 CA ARG A 12 10.847 -8.480 4.267 1.00 15.52 C ATOM 201 C ARG A 12 11.574 -7.835 5.467 1.00 73.13 C ATOM 202 O ARG A 12 12.499 -7.034 5.284 1.00 1.14 O ATOM 203 CB ARG A 12 11.558 -9.802 3.854 1.00 55.04 C ATOM 204 CG ARG A 12 10.914 -10.560 2.670 1.00 13.12 C ATOM 205 CD ARG A 12 11.713 -11.818 2.276 1.00 2.31 C ATOM 206 NE ARG A 12 11.148 -12.503 1.093 1.00 54.24 N ATOM 207 CZ ARG A 12 11.716 -13.554 0.468 1.00 12.51 C ATOM 208 NH1 ARG A 12 12.875 -14.063 0.896 1.00 63.33 N ATOM 209 NH2 ARG A 12 11.124 -14.081 -0.601 1.00 41.54 N ATOM 0 H ARG A 12 11.446 -7.785 2.372 1.00 2.14 H new ATOM 0 HA ARG A 12 9.824 -8.711 4.564 1.00 15.52 H new ATOM 0 HB2 ARG A 12 12.592 -9.573 3.597 1.00 55.04 H new ATOM 0 HB3 ARG A 12 11.583 -10.466 4.718 1.00 55.04 H new ATOM 0 HG2 ARG A 12 9.897 -10.847 2.936 1.00 13.12 H new ATOM 0 HG3 ARG A 12 10.843 -9.894 1.810 1.00 13.12 H new ATOM 0 HD2 ARG A 12 12.746 -11.538 2.070 1.00 2.31 H new ATOM 0 HD3 ARG A 12 11.732 -12.510 3.118 1.00 2.31 H new ATOM 0 HE ARG A 12 10.264 -12.155 0.723 1.00 54.24 H new ATOM 0 HH11 ARG A 12 13.342 -13.656 1.706 1.00 63.33 H new ATOM 0 HH12 ARG A 12 13.292 -14.858 0.413 1.00 63.33 H new ATOM 0 HH21 ARG A 12 10.246 -13.690 -0.943 1.00 41.54 H new ATOM 0 HH22 ARG A 12 11.548 -14.876 -1.079 1.00 41.54 H new ATOM 223 N SER A 13 11.141 -8.181 6.685 1.00 55.22 N ATOM 224 CA SER A 13 11.764 -7.706 7.934 1.00 43.42 C ATOM 225 C SER A 13 12.764 -8.760 8.442 1.00 52.45 C ATOM 226 O SER A 13 12.596 -9.955 8.170 1.00 21.41 O ATOM 227 CB SER A 13 10.669 -7.426 8.997 1.00 65.32 C ATOM 228 OG SER A 13 11.225 -6.966 10.226 1.00 44.23 O ATOM 0 H SER A 13 10.345 -8.801 6.837 1.00 55.22 H new ATOM 0 HA SER A 13 12.302 -6.777 7.745 1.00 43.42 H new ATOM 0 HB2 SER A 13 9.972 -6.681 8.613 1.00 65.32 H new ATOM 0 HB3 SER A 13 10.096 -8.336 9.176 1.00 65.32 H new ATOM 0 HG SER A 13 10.504 -6.799 10.869 1.00 44.23 H new ATOM 234 N LYS A 14 13.810 -8.302 9.167 1.00 73.12 N ATOM 235 CA LYS A 14 14.803 -9.184 9.829 1.00 35.23 C ATOM 236 C LYS A 14 14.113 -10.154 10.812 1.00 73.01 C ATOM 237 O LYS A 14 14.561 -11.290 11.009 1.00 14.43 O ATOM 238 CB LYS A 14 15.870 -8.343 10.585 1.00 31.23 C ATOM 239 CG LYS A 14 16.729 -7.407 9.701 1.00 61.43 C ATOM 240 CD LYS A 14 17.827 -6.674 10.521 1.00 70.53 C ATOM 241 CE LYS A 14 18.887 -7.629 11.096 1.00 1.01 C ATOM 242 NZ LYS A 14 19.647 -8.323 10.023 1.00 34.34 N ATOM 0 H LYS A 14 13.991 -7.309 9.311 1.00 73.12 H new ATOM 0 HA LYS A 14 15.297 -9.766 9.051 1.00 35.23 H new ATOM 0 HB2 LYS A 14 15.364 -7.739 11.339 1.00 31.23 H new ATOM 0 HB3 LYS A 14 16.535 -9.024 11.116 1.00 31.23 H new ATOM 0 HG2 LYS A 14 17.198 -7.988 8.907 1.00 61.43 H new ATOM 0 HG3 LYS A 14 16.085 -6.671 9.220 1.00 61.43 H new ATOM 0 HD2 LYS A 14 18.317 -5.937 9.884 1.00 70.53 H new ATOM 0 HD3 LYS A 14 17.357 -6.127 11.338 1.00 70.53 H new ATOM 0 HE2 LYS A 14 19.578 -7.068 11.726 1.00 1.01 H new ATOM 0 HE3 LYS A 14 18.402 -8.368 11.734 1.00 1.01 H new ATOM 0 HZ1 LYS A 14 20.448 -8.838 10.442 1.00 34.34 H new ATOM 0 HZ2 LYS A 14 19.022 -8.995 9.533 1.00 34.34 H new ATOM 0 HZ3 LYS A 14 20.004 -7.623 9.342 1.00 34.34 H new ATOM 256 N GLU A 15 13.029 -9.672 11.432 1.00 21.03 N ATOM 257 CA GLU A 15 12.139 -10.498 12.265 1.00 70.01 C ATOM 258 C GLU A 15 11.061 -11.089 11.330 1.00 22.01 C ATOM 259 O GLU A 15 10.528 -10.357 10.487 1.00 25.51 O ATOM 260 CB GLU A 15 11.519 -9.641 13.424 1.00 61.22 C ATOM 261 CG GLU A 15 11.380 -10.377 14.784 1.00 44.40 C ATOM 262 CD GLU A 15 10.280 -11.460 14.831 1.00 44.12 C ATOM 263 OE1 GLU A 15 10.542 -12.617 14.441 1.00 3.23 O ATOM 264 OE2 GLU A 15 9.152 -11.160 15.279 1.00 4.34 O ATOM 0 H GLU A 15 12.741 -8.695 11.371 1.00 21.03 H new ATOM 0 HA GLU A 15 12.685 -11.308 12.748 1.00 70.01 H new ATOM 0 HB2 GLU A 15 12.136 -8.754 13.570 1.00 61.22 H new ATOM 0 HB3 GLU A 15 10.533 -9.296 13.113 1.00 61.22 H new ATOM 0 HG2 GLU A 15 12.336 -10.841 15.028 1.00 44.40 H new ATOM 0 HG3 GLU A 15 11.176 -9.639 15.560 1.00 44.40 H new ATOM 271 N ASN A 16 10.763 -12.392 11.511 1.00 22.22 N ATOM 272 CA ASN A 16 9.936 -13.226 10.593 1.00 21.02 C ATOM 273 C ASN A 16 8.548 -12.603 10.289 1.00 32.21 C ATOM 274 O ASN A 16 7.551 -12.961 10.929 1.00 74.22 O ATOM 275 CB ASN A 16 9.758 -14.664 11.185 1.00 44.23 C ATOM 276 CG ASN A 16 11.065 -15.432 11.405 1.00 20.12 C ATOM 277 OD1 ASN A 16 12.135 -14.846 11.585 1.00 42.30 O ATOM 278 ND2 ASN A 16 10.986 -16.757 11.432 1.00 31.05 N ATOM 0 H ASN A 16 11.097 -12.915 12.321 1.00 22.22 H new ATOM 0 HA ASN A 16 10.474 -13.276 9.646 1.00 21.02 H new ATOM 0 HB2 ASN A 16 9.233 -14.588 12.137 1.00 44.23 H new ATOM 0 HB3 ASN A 16 9.121 -15.242 10.515 1.00 44.23 H new ATOM 0 HD21 ASN A 16 11.823 -17.314 11.605 1.00 31.05 H new ATOM 0 HD22 ASN A 16 10.089 -17.218 11.280 1.00 31.05 H new ATOM 285 N GLN A 17 8.541 -11.617 9.358 1.00 53.50 N ATOM 286 CA GLN A 17 7.327 -10.945 8.816 1.00 50.50 C ATOM 287 C GLN A 17 6.303 -10.558 9.910 1.00 15.34 C ATOM 288 O GLN A 17 5.085 -10.632 9.701 1.00 12.53 O ATOM 289 CB GLN A 17 6.716 -11.813 7.669 1.00 51.31 C ATOM 290 CG GLN A 17 7.440 -11.686 6.300 1.00 3.41 C ATOM 291 CD GLN A 17 8.957 -11.923 6.360 1.00 21.05 C ATOM 292 OE1 GLN A 17 9.741 -10.983 6.540 1.00 43.22 O ATOM 293 NE2 GLN A 17 9.384 -13.171 6.246 1.00 73.32 N ATOM 0 H GLN A 17 9.403 -11.255 8.950 1.00 53.50 H new ATOM 0 HA GLN A 17 7.628 -9.988 8.390 1.00 50.50 H new ATOM 0 HB2 GLN A 17 6.731 -12.859 7.976 1.00 51.31 H new ATOM 0 HB3 GLN A 17 5.670 -11.534 7.539 1.00 51.31 H new ATOM 0 HG2 GLN A 17 7.000 -12.399 5.603 1.00 3.41 H new ATOM 0 HG3 GLN A 17 7.256 -10.690 5.896 1.00 3.41 H new ATOM 0 HE21 GLN A 17 8.716 -13.927 6.098 1.00 73.32 H new ATOM 0 HE22 GLN A 17 10.381 -13.376 6.306 1.00 73.32 H new ATOM 302 N HIS A 18 6.840 -10.118 11.065 1.00 2.32 N ATOM 303 CA HIS A 18 6.044 -9.643 12.212 1.00 72.01 C ATOM 304 C HIS A 18 5.467 -8.253 11.903 1.00 4.31 C ATOM 305 O HIS A 18 4.346 -7.925 12.297 1.00 65.13 O ATOM 306 CB HIS A 18 6.928 -9.600 13.484 1.00 14.44 C ATOM 307 CG HIS A 18 6.197 -9.238 14.762 1.00 1.23 C ATOM 308 ND1 HIS A 18 5.745 -10.181 15.665 1.00 62.33 N ATOM 309 CD2 HIS A 18 5.862 -8.030 15.296 1.00 4.23 C ATOM 310 CE1 HIS A 18 5.163 -9.573 16.681 1.00 72.05 C ATOM 311 NE2 HIS A 18 5.219 -8.275 16.482 1.00 71.34 N ATOM 0 H HIS A 18 7.846 -10.082 11.228 1.00 2.32 H new ATOM 0 HA HIS A 18 5.217 -10.330 12.390 1.00 72.01 H new ATOM 0 HB2 HIS A 18 7.397 -10.575 13.615 1.00 14.44 H new ATOM 0 HB3 HIS A 18 7.731 -8.880 13.326 1.00 14.44 H new ATOM 0 HD2 HIS A 18 6.065 -7.061 14.865 1.00 4.23 H new ATOM 0 HE1 HIS A 18 4.715 -10.061 17.534 1.00 72.05 H new ATOM 0 HE2 HIS A 18 4.844 -7.564 17.110 1.00 71.34 H new ATOM 320 N ASN A 19 6.279 -7.436 11.224 1.00 44.31 N ATOM 321 CA ASN A 19 5.876 -6.118 10.731 1.00 15.51 C ATOM 322 C ASN A 19 6.785 -5.767 9.554 1.00 11.45 C ATOM 323 O ASN A 19 7.702 -4.936 9.664 1.00 40.12 O ATOM 324 CB ASN A 19 5.937 -5.039 11.849 1.00 62.24 C ATOM 325 CG ASN A 19 5.372 -3.673 11.423 1.00 13.12 C ATOM 326 OD1 ASN A 19 4.465 -3.586 10.595 1.00 52.10 O ATOM 327 ND2 ASN A 19 5.897 -2.602 11.993 1.00 32.25 N ATOM 0 H ASN A 19 7.245 -7.675 11.000 1.00 44.31 H new ATOM 0 HA ASN A 19 4.836 -6.145 10.405 1.00 15.51 H new ATOM 0 HB2 ASN A 19 5.383 -5.396 12.717 1.00 62.24 H new ATOM 0 HB3 ASN A 19 6.973 -4.912 12.162 1.00 62.24 H new ATOM 0 HD21 ASN A 19 5.551 -1.674 11.750 1.00 32.25 H new ATOM 0 HD22 ASN A 19 6.648 -2.704 12.676 1.00 32.25 H new ATOM 334 N ASN A 20 6.578 -6.484 8.440 1.00 10.11 N ATOM 335 CA ASN A 20 7.314 -6.239 7.194 1.00 0.03 C ATOM 336 C ASN A 20 6.739 -4.987 6.512 1.00 71.23 C ATOM 337 O ASN A 20 5.611 -4.578 6.809 1.00 41.43 O ATOM 338 CB ASN A 20 7.240 -7.474 6.241 1.00 63.21 C ATOM 339 CG ASN A 20 5.912 -7.641 5.481 1.00 3.33 C ATOM 340 OD1 ASN A 20 4.779 -7.302 6.099 1.00 4.10 O flip ATOM 341 ND2 ASN A 20 5.902 -8.090 4.336 1.00 40.14 N flip ATOM 0 H ASN A 20 5.901 -7.244 8.378 1.00 10.11 H new ATOM 0 HA ASN A 20 8.366 -6.076 7.428 1.00 0.03 H new ATOM 0 HB2 ASN A 20 8.049 -7.400 5.514 1.00 63.21 H new ATOM 0 HB3 ASN A 20 7.420 -8.375 6.827 1.00 63.21 H new ATOM 0 HD21 ASN A 20 6.778 -8.344 3.880 1.00 40.14 H new ATOM 0 HD22 ASN A 20 5.017 -8.209 3.842 1.00 40.14 H new ATOM 348 N VAL A 21 7.508 -4.392 5.607 1.00 23.24 N ATOM 349 CA VAL A 21 7.056 -3.241 4.811 1.00 34.14 C ATOM 350 C VAL A 21 6.588 -3.754 3.423 1.00 55.42 C ATOM 351 O VAL A 21 6.895 -4.884 3.041 1.00 14.23 O ATOM 352 CB VAL A 21 8.204 -2.162 4.675 1.00 62.11 C ATOM 353 CG1 VAL A 21 7.662 -0.844 4.106 1.00 75.23 C ATOM 354 CG2 VAL A 21 8.921 -1.916 6.027 1.00 5.11 C ATOM 0 H VAL A 21 8.462 -4.688 5.400 1.00 23.24 H new ATOM 0 HA VAL A 21 6.222 -2.750 5.312 1.00 34.14 H new ATOM 0 HB VAL A 21 8.938 -2.561 3.975 1.00 62.11 H new ATOM 0 HG11 VAL A 21 8.474 -0.122 4.024 1.00 75.23 H new ATOM 0 HG12 VAL A 21 7.234 -1.022 3.120 1.00 75.23 H new ATOM 0 HG13 VAL A 21 6.892 -0.450 4.770 1.00 75.23 H new ATOM 0 HG21 VAL A 21 9.703 -1.169 5.893 1.00 5.11 H new ATOM 0 HG22 VAL A 21 8.199 -1.559 6.762 1.00 5.11 H new ATOM 0 HG23 VAL A 21 9.365 -2.847 6.378 1.00 5.11 H new ATOM 364 N MET A 22 5.826 -2.934 2.693 1.00 32.04 N ATOM 365 CA MET A 22 5.342 -3.253 1.346 1.00 53.53 C ATOM 366 C MET A 22 5.268 -1.942 0.557 1.00 51.21 C ATOM 367 O MET A 22 4.636 -0.977 1.009 1.00 30.53 O ATOM 368 CB MET A 22 3.949 -3.951 1.396 1.00 41.43 C ATOM 369 CG MET A 22 3.375 -4.342 0.020 1.00 72.35 C ATOM 370 SD MET A 22 1.698 -5.031 0.094 1.00 71.15 S ATOM 371 CE MET A 22 1.906 -6.512 1.088 1.00 72.24 C ATOM 0 H MET A 22 5.524 -2.018 3.025 1.00 32.04 H new ATOM 0 HA MET A 22 6.024 -3.951 0.860 1.00 53.53 H new ATOM 0 HB2 MET A 22 4.029 -4.848 2.009 1.00 41.43 H new ATOM 0 HB3 MET A 22 3.243 -3.287 1.894 1.00 41.43 H new ATOM 0 HG2 MET A 22 3.368 -3.462 -0.623 1.00 72.35 H new ATOM 0 HG3 MET A 22 4.037 -5.072 -0.445 1.00 72.35 H new ATOM 0 HE1 MET A 22 1.431 -7.356 0.588 1.00 72.24 H new ATOM 0 HE2 MET A 22 2.969 -6.718 1.216 1.00 72.24 H new ATOM 0 HE3 MET A 22 1.445 -6.363 2.064 1.00 72.24 H new ATOM 381 N ILE A 23 5.957 -1.911 -0.588 1.00 32.42 N ATOM 382 CA ILE A 23 5.974 -0.751 -1.489 1.00 5.23 C ATOM 383 C ILE A 23 4.737 -0.800 -2.404 1.00 44.34 C ATOM 384 O ILE A 23 4.554 -1.754 -3.164 1.00 25.45 O ATOM 385 CB ILE A 23 7.298 -0.729 -2.340 1.00 2.42 C ATOM 386 CG1 ILE A 23 8.558 -0.712 -1.410 1.00 34.21 C ATOM 387 CG2 ILE A 23 7.320 0.460 -3.327 1.00 44.41 C ATOM 388 CD1 ILE A 23 8.620 0.451 -0.416 1.00 1.40 C ATOM 0 H ILE A 23 6.522 -2.693 -0.919 1.00 32.42 H new ATOM 0 HA ILE A 23 5.945 0.164 -0.898 1.00 5.23 H new ATOM 0 HB ILE A 23 7.325 -1.644 -2.932 1.00 2.42 H new ATOM 0 HG12 ILE A 23 8.590 -1.648 -0.852 1.00 34.21 H new ATOM 0 HG13 ILE A 23 9.451 -0.683 -2.035 1.00 34.21 H new ATOM 0 HG21 ILE A 23 8.249 0.443 -3.897 1.00 44.41 H new ATOM 0 HG22 ILE A 23 6.474 0.382 -4.010 1.00 44.41 H new ATOM 0 HG23 ILE A 23 7.253 1.395 -2.771 1.00 44.41 H new ATOM 0 HD11 ILE A 23 9.529 0.372 0.180 1.00 1.40 H new ATOM 0 HD12 ILE A 23 8.624 1.395 -0.961 1.00 1.40 H new ATOM 0 HD13 ILE A 23 7.751 0.415 0.241 1.00 1.40 H new ATOM 400 N ILE A 24 3.889 0.228 -2.288 1.00 54.21 N ATOM 401 CA ILE A 24 2.615 0.344 -3.030 1.00 54.32 C ATOM 402 C ILE A 24 2.568 1.735 -3.704 1.00 1.21 C ATOM 403 O ILE A 24 3.289 2.643 -3.283 1.00 72.32 O ATOM 404 CB ILE A 24 1.387 0.165 -2.045 1.00 61.21 C ATOM 405 CG1 ILE A 24 1.502 -1.178 -1.249 1.00 15.24 C ATOM 406 CG2 ILE A 24 0.022 0.251 -2.781 1.00 14.35 C ATOM 407 CD1 ILE A 24 0.481 -1.363 -0.144 1.00 20.03 C ATOM 0 H ILE A 24 4.065 1.018 -1.668 1.00 54.21 H new ATOM 0 HA ILE A 24 2.553 -0.437 -3.788 1.00 54.32 H new ATOM 0 HB ILE A 24 1.423 0.994 -1.339 1.00 61.21 H new ATOM 0 HG12 ILE A 24 1.408 -2.007 -1.951 1.00 15.24 H new ATOM 0 HG13 ILE A 24 2.500 -1.240 -0.814 1.00 15.24 H new ATOM 0 HG21 ILE A 24 -0.788 0.122 -2.063 1.00 14.35 H new ATOM 0 HG22 ILE A 24 -0.071 1.225 -3.262 1.00 14.35 H new ATOM 0 HG23 ILE A 24 -0.035 -0.533 -3.536 1.00 14.35 H new ATOM 0 HD11 ILE A 24 0.645 -2.323 0.346 1.00 20.03 H new ATOM 0 HD12 ILE A 24 0.585 -0.560 0.586 1.00 20.03 H new ATOM 0 HD13 ILE A 24 -0.523 -1.339 -0.568 1.00 20.03 H new ATOM 419 N LYS A 25 1.752 1.891 -4.764 1.00 71.05 N ATOM 420 CA LYS A 25 1.476 3.204 -5.364 1.00 22.04 C ATOM 421 C LYS A 25 -0.012 3.283 -5.783 1.00 53.33 C ATOM 422 O LYS A 25 -0.421 2.586 -6.718 1.00 22.31 O ATOM 423 CB LYS A 25 2.406 3.474 -6.571 1.00 64.13 C ATOM 424 CG LYS A 25 2.298 4.906 -7.150 1.00 52.53 C ATOM 425 CD LYS A 25 3.408 5.227 -8.175 1.00 43.33 C ATOM 426 CE LYS A 25 3.374 4.298 -9.396 1.00 14.51 C ATOM 427 NZ LYS A 25 2.082 4.386 -10.126 1.00 54.43 N ATOM 0 H LYS A 25 1.271 1.117 -5.222 1.00 71.05 H new ATOM 0 HA LYS A 25 1.676 3.976 -4.621 1.00 22.04 H new ATOM 0 HB2 LYS A 25 3.437 3.294 -6.268 1.00 64.13 H new ATOM 0 HB3 LYS A 25 2.176 2.757 -7.360 1.00 64.13 H new ATOM 0 HG2 LYS A 25 1.325 5.027 -7.626 1.00 52.53 H new ATOM 0 HG3 LYS A 25 2.345 5.627 -6.334 1.00 52.53 H new ATOM 0 HD2 LYS A 25 3.303 6.260 -8.507 1.00 43.33 H new ATOM 0 HD3 LYS A 25 4.380 5.146 -7.689 1.00 43.33 H new ATOM 0 HE2 LYS A 25 4.190 4.556 -10.071 1.00 14.51 H new ATOM 0 HE3 LYS A 25 3.539 3.270 -9.074 1.00 14.51 H new ATOM 0 HZ1 LYS A 25 2.148 3.850 -11.015 1.00 54.43 H new ATOM 0 HZ2 LYS A 25 1.323 3.988 -9.537 1.00 54.43 H new ATOM 0 HZ3 LYS A 25 1.870 5.382 -10.338 1.00 54.43 H new ATOM 441 N PRO A 26 -0.846 4.087 -5.053 1.00 73.53 N ATOM 442 CA PRO A 26 -2.249 4.403 -5.445 1.00 4.51 C ATOM 443 C PRO A 26 -2.352 5.036 -6.856 1.00 32.33 C ATOM 444 O PRO A 26 -1.489 5.813 -7.260 1.00 12.31 O ATOM 445 CB PRO A 26 -2.729 5.378 -4.330 1.00 51.24 C ATOM 446 CG PRO A 26 -1.484 5.849 -3.646 1.00 25.03 C ATOM 447 CD PRO A 26 -0.508 4.714 -3.750 1.00 64.43 C ATOM 0 HA PRO A 26 -2.866 3.507 -5.520 1.00 4.51 H new ATOM 0 HB2 PRO A 26 -3.285 6.215 -4.753 1.00 51.24 H new ATOM 0 HB3 PRO A 26 -3.395 4.875 -3.629 1.00 51.24 H new ATOM 0 HG2 PRO A 26 -1.092 6.747 -4.123 1.00 25.03 H new ATOM 0 HG3 PRO A 26 -1.681 6.101 -2.604 1.00 25.03 H new ATOM 0 HD2 PRO A 26 0.523 5.068 -3.730 1.00 64.43 H new ATOM 0 HD3 PRO A 26 -0.620 4.011 -2.925 1.00 64.43 H new ATOM 455 N LEU A 27 -3.420 4.670 -7.584 1.00 45.33 N ATOM 456 CA LEU A 27 -3.697 5.146 -8.960 1.00 20.32 C ATOM 457 C LEU A 27 -4.332 6.545 -8.927 1.00 12.43 C ATOM 458 O LEU A 27 -4.048 7.396 -9.776 1.00 21.01 O ATOM 459 CB LEU A 27 -4.649 4.139 -9.666 1.00 72.34 C ATOM 460 CG LEU A 27 -4.126 2.674 -9.778 1.00 1.31 C ATOM 461 CD1 LEU A 27 -5.225 1.737 -10.322 1.00 71.02 C ATOM 462 CD2 LEU A 27 -2.844 2.602 -10.637 1.00 10.22 C ATOM 0 H LEU A 27 -4.129 4.026 -7.233 1.00 45.33 H new ATOM 0 HA LEU A 27 -2.761 5.211 -9.514 1.00 20.32 H new ATOM 0 HB2 LEU A 27 -5.597 4.126 -9.128 1.00 72.34 H new ATOM 0 HB3 LEU A 27 -4.857 4.508 -10.670 1.00 72.34 H new ATOM 0 HG LEU A 27 -3.865 2.332 -8.776 1.00 1.31 H new ATOM 0 HD11 LEU A 27 -4.836 0.721 -10.391 1.00 71.02 H new ATOM 0 HD12 LEU A 27 -6.082 1.752 -9.649 1.00 71.02 H new ATOM 0 HD13 LEU A 27 -5.534 2.075 -11.311 1.00 71.02 H new ATOM 0 HD21 LEU A 27 -2.504 1.568 -10.697 1.00 10.22 H new ATOM 0 HD22 LEU A 27 -3.057 2.972 -11.640 1.00 10.22 H new ATOM 0 HD23 LEU A 27 -2.066 3.215 -10.181 1.00 10.22 H new ATOM 474 N ASP A 28 -5.209 6.751 -7.928 1.00 61.31 N ATOM 475 CA ASP A 28 -5.916 8.032 -7.701 1.00 33.20 C ATOM 476 C ASP A 28 -4.946 9.144 -7.254 1.00 50.40 C ATOM 477 O ASP A 28 -5.182 10.329 -7.506 1.00 20.11 O ATOM 478 CB ASP A 28 -7.041 7.824 -6.646 1.00 34.02 C ATOM 479 CG ASP A 28 -7.815 9.109 -6.269 1.00 13.04 C ATOM 480 OD1 ASP A 28 -8.709 9.530 -7.038 1.00 35.41 O ATOM 481 OD2 ASP A 28 -7.531 9.706 -5.207 1.00 0.22 O ATOM 0 H ASP A 28 -5.451 6.030 -7.248 1.00 61.31 H new ATOM 0 HA ASP A 28 -6.360 8.353 -8.643 1.00 33.20 H new ATOM 0 HB2 ASP A 28 -7.749 7.088 -7.029 1.00 34.02 H new ATOM 0 HB3 ASP A 28 -6.600 7.403 -5.742 1.00 34.02 H new ATOM 486 N VAL A 29 -3.851 8.734 -6.605 1.00 71.44 N ATOM 487 CA VAL A 29 -2.839 9.637 -6.041 1.00 34.22 C ATOM 488 C VAL A 29 -1.523 9.532 -6.832 1.00 0.32 C ATOM 489 O VAL A 29 -0.927 8.458 -6.917 1.00 22.25 O ATOM 490 CB VAL A 29 -2.587 9.287 -4.534 1.00 72.43 C ATOM 491 CG1 VAL A 29 -1.403 10.075 -3.951 1.00 22.22 C ATOM 492 CG2 VAL A 29 -3.869 9.488 -3.694 1.00 23.03 C ATOM 0 H VAL A 29 -3.638 7.748 -6.454 1.00 71.44 H new ATOM 0 HA VAL A 29 -3.208 10.660 -6.113 1.00 34.22 H new ATOM 0 HB VAL A 29 -2.319 8.231 -4.487 1.00 72.43 H new ATOM 0 HG11 VAL A 29 -1.264 9.802 -2.905 1.00 22.22 H new ATOM 0 HG12 VAL A 29 -0.498 9.839 -4.511 1.00 22.22 H new ATOM 0 HG13 VAL A 29 -1.606 11.143 -4.023 1.00 22.22 H new ATOM 0 HG21 VAL A 29 -3.665 9.238 -2.653 1.00 23.03 H new ATOM 0 HG22 VAL A 29 -4.189 10.528 -3.761 1.00 23.03 H new ATOM 0 HG23 VAL A 29 -4.659 8.840 -4.075 1.00 23.03 H new ATOM 502 N ASN A 30 -1.082 10.661 -7.414 1.00 32.22 N ATOM 503 CA ASN A 30 0.189 10.754 -8.169 1.00 22.12 C ATOM 504 C ASN A 30 1.050 11.926 -7.641 1.00 63.21 C ATOM 505 O ASN A 30 1.950 12.413 -8.343 1.00 50.23 O ATOM 506 CB ASN A 30 -0.115 10.915 -9.689 1.00 15.02 C ATOM 507 CG ASN A 30 -0.770 9.670 -10.294 1.00 31.04 C ATOM 508 OD1 ASN A 30 -0.097 8.786 -10.826 1.00 1.53 O ATOM 509 ND2 ASN A 30 -2.086 9.580 -10.191 1.00 33.25 N ATOM 0 H ASN A 30 -1.596 11.541 -7.376 1.00 32.22 H new ATOM 0 HA ASN A 30 0.760 9.837 -8.026 1.00 22.12 H new ATOM 0 HB2 ASN A 30 -0.771 11.773 -9.836 1.00 15.02 H new ATOM 0 HB3 ASN A 30 0.812 11.128 -10.221 1.00 15.02 H new ATOM 0 HD21 ASN A 30 -2.571 8.761 -10.558 1.00 33.25 H new ATOM 0 HD22 ASN A 30 -2.615 10.329 -9.745 1.00 33.25 H new ATOM 516 N SER A 31 0.783 12.349 -6.390 1.00 64.15 N ATOM 517 CA SER A 31 1.494 13.466 -5.732 1.00 71.40 C ATOM 518 C SER A 31 1.758 13.144 -4.247 1.00 61.21 C ATOM 519 O SER A 31 1.080 12.297 -3.655 1.00 54.12 O ATOM 520 CB SER A 31 0.681 14.760 -5.909 1.00 60.32 C ATOM 521 OG SER A 31 -0.612 14.626 -5.364 1.00 42.53 O ATOM 0 H SER A 31 0.065 11.924 -5.803 1.00 64.15 H new ATOM 0 HA SER A 31 2.468 13.609 -6.200 1.00 71.40 H new ATOM 0 HB2 SER A 31 1.199 15.588 -5.425 1.00 60.32 H new ATOM 0 HB3 SER A 31 0.609 15.006 -6.969 1.00 60.32 H new ATOM 0 HG SER A 31 -0.696 15.201 -4.575 1.00 42.53 H new ATOM 527 N ARG A 32 2.757 13.844 -3.667 1.00 34.05 N ATOM 528 CA ARG A 32 3.315 13.532 -2.330 1.00 43.14 C ATOM 529 C ARG A 32 2.305 13.752 -1.200 1.00 63.23 C ATOM 530 O ARG A 32 2.125 12.878 -0.351 1.00 63.21 O ATOM 531 CB ARG A 32 4.572 14.397 -2.056 1.00 63.55 C ATOM 532 CG ARG A 32 5.170 14.230 -0.638 1.00 42.45 C ATOM 533 CD ARG A 32 6.544 14.899 -0.481 1.00 74.01 C ATOM 534 NE ARG A 32 7.154 14.622 0.830 1.00 61.42 N ATOM 535 CZ ARG A 32 8.058 13.657 1.080 1.00 64.24 C ATOM 536 NH1 ARG A 32 8.482 12.847 0.112 1.00 44.10 N ATOM 537 NH2 ARG A 32 8.517 13.493 2.306 1.00 20.33 N ATOM 0 H ARG A 32 3.202 14.645 -4.114 1.00 34.05 H new ATOM 0 HA ARG A 32 3.576 12.474 -2.344 1.00 43.14 H new ATOM 0 HB2 ARG A 32 5.337 14.147 -2.791 1.00 63.55 H new ATOM 0 HB3 ARG A 32 4.316 15.446 -2.207 1.00 63.55 H new ATOM 0 HG2 ARG A 32 4.481 14.653 0.093 1.00 42.45 H new ATOM 0 HG3 ARG A 32 5.262 13.168 -0.412 1.00 42.45 H new ATOM 0 HD2 ARG A 32 7.209 14.548 -1.270 1.00 74.01 H new ATOM 0 HD3 ARG A 32 6.438 15.976 -0.610 1.00 74.01 H new ATOM 0 HE ARG A 32 6.868 15.210 1.613 1.00 61.42 H new ATOM 0 HH11 ARG A 32 8.121 12.953 -0.836 1.00 44.10 H new ATOM 0 HH12 ARG A 32 9.168 12.121 0.319 1.00 44.10 H new ATOM 0 HH21 ARG A 32 8.187 14.096 3.059 1.00 20.33 H new ATOM 0 HH22 ARG A 32 9.202 12.763 2.501 1.00 20.33 H new ATOM 551 N GLU A 33 1.676 14.934 -1.193 1.00 52.32 N ATOM 552 CA GLU A 33 0.810 15.372 -0.073 1.00 70.41 C ATOM 553 C GLU A 33 -0.550 14.664 -0.115 1.00 44.21 C ATOM 554 O GLU A 33 -1.157 14.408 0.932 1.00 34.41 O ATOM 555 CB GLU A 33 0.645 16.916 -0.014 1.00 25.22 C ATOM 556 CG GLU A 33 -0.114 17.576 -1.179 1.00 13.54 C ATOM 557 CD GLU A 33 0.595 17.468 -2.533 1.00 33.33 C ATOM 558 OE1 GLU A 33 1.516 18.277 -2.806 1.00 12.31 O ATOM 559 OE2 GLU A 33 0.273 16.541 -3.303 1.00 51.21 O ATOM 0 H GLU A 33 1.747 15.613 -1.951 1.00 52.32 H new ATOM 0 HA GLU A 33 1.315 15.080 0.848 1.00 70.41 H new ATOM 0 HB2 GLU A 33 0.130 17.168 0.913 1.00 25.22 H new ATOM 0 HB3 GLU A 33 1.638 17.362 0.041 1.00 25.22 H new ATOM 0 HG2 GLU A 33 -1.100 17.119 -1.261 1.00 13.54 H new ATOM 0 HG3 GLU A 33 -0.269 18.629 -0.946 1.00 13.54 H new ATOM 566 N GLU A 34 -1.003 14.320 -1.331 1.00 32.10 N ATOM 567 CA GLU A 34 -2.184 13.457 -1.521 1.00 72.42 C ATOM 568 C GLU A 34 -1.898 12.007 -1.072 1.00 24.00 C ATOM 569 O GLU A 34 -2.830 11.235 -0.833 1.00 71.23 O ATOM 570 CB GLU A 34 -2.671 13.510 -2.989 1.00 34.15 C ATOM 571 CG GLU A 34 -3.340 14.845 -3.387 1.00 72.33 C ATOM 572 CD GLU A 34 -4.565 15.188 -2.507 1.00 11.20 C ATOM 573 OE1 GLU A 34 -5.632 14.547 -2.680 1.00 33.00 O ATOM 574 OE2 GLU A 34 -4.464 16.073 -1.624 1.00 41.34 O ATOM 0 H GLU A 34 -0.569 14.627 -2.201 1.00 32.10 H new ATOM 0 HA GLU A 34 -2.986 13.839 -0.889 1.00 72.42 H new ATOM 0 HB2 GLU A 34 -1.822 13.331 -3.648 1.00 34.15 H new ATOM 0 HB3 GLU A 34 -3.379 12.698 -3.155 1.00 34.15 H new ATOM 0 HG2 GLU A 34 -2.608 15.649 -3.312 1.00 72.33 H new ATOM 0 HG3 GLU A 34 -3.651 14.793 -4.430 1.00 72.33 H new ATOM 581 N ALA A 35 -0.606 11.647 -0.999 1.00 3.30 N ATOM 582 CA ALA A 35 -0.141 10.375 -0.410 1.00 60.12 C ATOM 583 C ALA A 35 0.139 10.546 1.099 1.00 31.13 C ATOM 584 O ALA A 35 0.061 9.585 1.870 1.00 20.33 O ATOM 585 CB ALA A 35 1.116 9.884 -1.150 1.00 51.43 C ATOM 0 H ALA A 35 0.152 12.233 -1.349 1.00 3.30 H new ATOM 0 HA ALA A 35 -0.925 9.626 -0.522 1.00 60.12 H new ATOM 0 HB1 ALA A 35 1.454 8.945 -0.710 1.00 51.43 H new ATOM 0 HB2 ALA A 35 0.881 9.728 -2.203 1.00 51.43 H new ATOM 0 HB3 ALA A 35 1.905 10.631 -1.062 1.00 51.43 H new ATOM 591 N SER A 36 0.462 11.789 1.512 1.00 35.42 N ATOM 592 CA SER A 36 0.825 12.125 2.909 1.00 75.00 C ATOM 593 C SER A 36 -0.440 12.287 3.777 1.00 71.33 C ATOM 594 O SER A 36 -0.349 12.358 5.007 1.00 55.22 O ATOM 595 CB SER A 36 1.707 13.402 2.958 1.00 24.24 C ATOM 596 OG SER A 36 2.194 13.660 4.266 1.00 75.50 O ATOM 0 H SER A 36 0.479 12.593 0.885 1.00 35.42 H new ATOM 0 HA SER A 36 1.409 11.301 3.319 1.00 75.00 H new ATOM 0 HB2 SER A 36 2.548 13.289 2.274 1.00 24.24 H new ATOM 0 HB3 SER A 36 1.127 14.257 2.612 1.00 24.24 H new ATOM 0 HG SER A 36 1.579 13.277 4.926 1.00 75.50 H new ATOM 602 N LYS A 37 -1.612 12.368 3.133 1.00 54.03 N ATOM 603 CA LYS A 37 -2.906 12.308 3.837 1.00 33.21 C ATOM 604 C LYS A 37 -3.326 10.833 4.035 1.00 53.20 C ATOM 605 O LYS A 37 -4.193 10.520 4.861 1.00 43.30 O ATOM 606 CB LYS A 37 -3.973 13.113 3.039 1.00 32.23 C ATOM 607 CG LYS A 37 -4.518 12.408 1.777 1.00 5.13 C ATOM 608 CD LYS A 37 -5.096 13.374 0.725 1.00 51.02 C ATOM 609 CE LYS A 37 -6.221 14.280 1.233 1.00 70.14 C ATOM 610 NZ LYS A 37 -6.769 15.121 0.129 1.00 33.41 N ATOM 0 H LYS A 37 -1.693 12.476 2.122 1.00 54.03 H new ATOM 0 HA LYS A 37 -2.815 12.761 4.824 1.00 33.21 H new ATOM 0 HB2 LYS A 37 -4.809 13.334 3.702 1.00 32.23 H new ATOM 0 HB3 LYS A 37 -3.539 14.068 2.744 1.00 32.23 H new ATOM 0 HG2 LYS A 37 -3.716 11.828 1.322 1.00 5.13 H new ATOM 0 HG3 LYS A 37 -5.294 11.702 2.073 1.00 5.13 H new ATOM 0 HD2 LYS A 37 -4.289 14.000 0.345 1.00 51.02 H new ATOM 0 HD3 LYS A 37 -5.470 12.791 -0.116 1.00 51.02 H new ATOM 0 HE2 LYS A 37 -7.018 13.672 1.661 1.00 70.14 H new ATOM 0 HE3 LYS A 37 -5.845 14.920 2.031 1.00 70.14 H new ATOM 0 HZ1 LYS A 37 -7.445 15.808 0.519 1.00 33.41 H new ATOM 0 HZ2 LYS A 37 -5.991 15.628 -0.340 1.00 33.41 H new ATOM 0 HZ3 LYS A 37 -7.253 14.514 -0.563 1.00 33.41 H new ATOM 624 N LEU A 38 -2.678 9.922 3.272 1.00 22.05 N ATOM 625 CA LEU A 38 -2.928 8.475 3.356 1.00 13.44 C ATOM 626 C LEU A 38 -2.151 7.844 4.526 1.00 24.14 C ATOM 627 O LEU A 38 -2.363 6.671 4.845 1.00 73.31 O ATOM 628 CB LEU A 38 -2.575 7.771 2.017 1.00 15.24 C ATOM 629 CG LEU A 38 -3.240 8.347 0.727 1.00 35.15 C ATOM 630 CD1 LEU A 38 -2.912 7.486 -0.512 1.00 72.54 C ATOM 631 CD2 LEU A 38 -4.758 8.523 0.902 1.00 23.21 C ATOM 0 H LEU A 38 -1.969 10.175 2.584 1.00 22.05 H new ATOM 0 HA LEU A 38 -3.992 8.332 3.544 1.00 13.44 H new ATOM 0 HB2 LEU A 38 -1.493 7.808 1.888 1.00 15.24 H new ATOM 0 HB3 LEU A 38 -2.851 6.720 2.102 1.00 15.24 H new ATOM 0 HG LEU A 38 -2.815 9.337 0.559 1.00 35.15 H new ATOM 0 HD11 LEU A 38 -3.391 7.916 -1.391 1.00 72.54 H new ATOM 0 HD12 LEU A 38 -1.833 7.461 -0.662 1.00 72.54 H new ATOM 0 HD13 LEU A 38 -3.280 6.472 -0.358 1.00 72.54 H new ATOM 0 HD21 LEU A 38 -5.186 8.926 -0.016 1.00 23.21 H new ATOM 0 HD22 LEU A 38 -5.213 7.557 1.121 1.00 23.21 H new ATOM 0 HD23 LEU A 38 -4.952 9.211 1.725 1.00 23.21 H new ATOM 643 N ILE A 39 -1.254 8.630 5.161 1.00 23.43 N ATOM 644 CA ILE A 39 -0.553 8.219 6.394 1.00 53.52 C ATOM 645 C ILE A 39 -1.587 7.935 7.504 1.00 42.20 C ATOM 646 O ILE A 39 -2.499 8.743 7.725 1.00 75.11 O ATOM 647 CB ILE A 39 0.466 9.318 6.893 1.00 10.15 C ATOM 648 CG1 ILE A 39 1.462 9.733 5.765 1.00 51.53 C ATOM 649 CG2 ILE A 39 1.239 8.847 8.154 1.00 50.30 C ATOM 650 CD1 ILE A 39 2.320 8.615 5.210 1.00 30.42 C ATOM 0 H ILE A 39 -0.998 9.562 4.834 1.00 23.43 H new ATOM 0 HA ILE A 39 0.017 7.318 6.166 1.00 53.52 H new ATOM 0 HB ILE A 39 -0.121 10.195 7.164 1.00 10.15 H new ATOM 0 HG12 ILE A 39 0.893 10.172 4.945 1.00 51.53 H new ATOM 0 HG13 ILE A 39 2.118 10.513 6.152 1.00 51.53 H new ATOM 0 HG21 ILE A 39 1.931 9.628 8.469 1.00 50.30 H new ATOM 0 HG22 ILE A 39 0.533 8.642 8.958 1.00 50.30 H new ATOM 0 HG23 ILE A 39 1.797 7.940 7.921 1.00 50.30 H new ATOM 0 HD11 ILE A 39 2.975 9.010 4.434 1.00 30.42 H new ATOM 0 HD12 ILE A 39 2.923 8.188 6.011 1.00 30.42 H new ATOM 0 HD13 ILE A 39 1.680 7.842 4.786 1.00 30.42 H new ATOM 662 N GLY A 40 -1.461 6.771 8.159 1.00 2.14 N ATOM 663 CA GLY A 40 -2.355 6.376 9.247 1.00 60.25 C ATOM 664 C GLY A 40 -3.495 5.481 8.780 1.00 31.23 C ATOM 665 O GLY A 40 -4.110 4.786 9.601 1.00 61.54 O ATOM 0 H GLY A 40 -0.738 6.083 7.947 1.00 2.14 H new ATOM 0 HA2 GLY A 40 -1.780 5.854 10.012 1.00 60.25 H new ATOM 0 HA3 GLY A 40 -2.769 7.270 9.713 1.00 60.25 H new ATOM 669 N ARG A 41 -3.778 5.491 7.463 1.00 2.12 N ATOM 670 CA ARG A 41 -4.896 4.734 6.878 1.00 53.50 C ATOM 671 C ARG A 41 -4.543 3.237 6.728 1.00 71.25 C ATOM 672 O ARG A 41 -3.360 2.876 6.627 1.00 75.31 O ATOM 673 CB ARG A 41 -5.289 5.331 5.501 1.00 24.01 C ATOM 674 CG ARG A 41 -5.770 6.803 5.537 1.00 20.41 C ATOM 675 CD ARG A 41 -6.330 7.278 4.181 1.00 41.25 C ATOM 676 NE ARG A 41 -6.707 8.703 4.184 1.00 5.12 N ATOM 677 CZ ARG A 41 -7.426 9.312 3.221 1.00 62.14 C ATOM 678 NH1 ARG A 41 -7.860 8.640 2.161 1.00 32.44 N ATOM 679 NH2 ARG A 41 -7.714 10.598 3.334 1.00 12.23 N ATOM 0 H ARG A 41 -3.239 6.022 6.779 1.00 2.12 H new ATOM 0 HA ARG A 41 -5.745 4.814 7.556 1.00 53.50 H new ATOM 0 HB2 ARG A 41 -4.430 5.262 4.834 1.00 24.01 H new ATOM 0 HB3 ARG A 41 -6.079 4.717 5.068 1.00 24.01 H new ATOM 0 HG2 ARG A 41 -6.539 6.911 6.301 1.00 20.41 H new ATOM 0 HG3 ARG A 41 -4.939 7.446 5.828 1.00 20.41 H new ATOM 0 HD2 ARG A 41 -5.584 7.106 3.405 1.00 41.25 H new ATOM 0 HD3 ARG A 41 -7.202 6.677 3.923 1.00 41.25 H new ATOM 0 HE ARG A 41 -6.401 9.270 4.974 1.00 5.12 H new ATOM 0 HH11 ARG A 41 -7.650 7.646 2.066 1.00 32.44 H new ATOM 0 HH12 ARG A 41 -8.403 9.118 1.442 1.00 32.44 H new ATOM 0 HH21 ARG A 41 -7.392 11.123 4.147 1.00 12.23 H new ATOM 0 HH22 ARG A 41 -8.258 11.065 2.608 1.00 12.23 H new ATOM 693 N LEU A 42 -5.586 2.385 6.678 1.00 45.33 N ATOM 694 CA LEU A 42 -5.438 0.920 6.601 1.00 32.25 C ATOM 695 C LEU A 42 -5.405 0.488 5.141 1.00 1.44 C ATOM 696 O LEU A 42 -6.267 0.878 4.370 1.00 13.54 O ATOM 697 CB LEU A 42 -6.631 0.219 7.304 1.00 1.13 C ATOM 698 CG LEU A 42 -6.494 -1.308 7.603 1.00 64.23 C ATOM 699 CD1 LEU A 42 -5.364 -1.585 8.617 1.00 13.44 C ATOM 700 CD2 LEU A 42 -7.836 -1.893 8.093 1.00 61.22 C ATOM 0 H LEU A 42 -6.557 2.696 6.690 1.00 45.33 H new ATOM 0 HA LEU A 42 -4.510 0.637 7.098 1.00 32.25 H new ATOM 0 HB2 LEU A 42 -6.814 0.732 8.248 1.00 1.13 H new ATOM 0 HB3 LEU A 42 -7.517 0.363 6.686 1.00 1.13 H new ATOM 0 HG LEU A 42 -6.227 -1.807 6.671 1.00 64.23 H new ATOM 0 HD11 LEU A 42 -5.296 -2.657 8.802 1.00 13.44 H new ATOM 0 HD12 LEU A 42 -4.417 -1.226 8.214 1.00 13.44 H new ATOM 0 HD13 LEU A 42 -5.579 -1.068 9.552 1.00 13.44 H new ATOM 0 HD21 LEU A 42 -7.717 -2.957 8.295 1.00 61.22 H new ATOM 0 HD22 LEU A 42 -8.144 -1.383 9.006 1.00 61.22 H new ATOM 0 HD23 LEU A 42 -8.596 -1.752 7.325 1.00 61.22 H new ATOM 712 N VAL A 43 -4.409 -0.298 4.752 1.00 44.23 N ATOM 713 CA VAL A 43 -4.365 -0.906 3.425 1.00 21.15 C ATOM 714 C VAL A 43 -4.853 -2.361 3.523 1.00 15.21 C ATOM 715 O VAL A 43 -4.222 -3.183 4.197 1.00 62.23 O ATOM 716 CB VAL A 43 -2.919 -0.842 2.825 1.00 22.42 C ATOM 717 CG1 VAL A 43 -2.890 -1.439 1.412 1.00 13.31 C ATOM 718 CG2 VAL A 43 -2.394 0.608 2.822 1.00 25.12 C ATOM 0 H VAL A 43 -3.612 -0.532 5.343 1.00 44.23 H new ATOM 0 HA VAL A 43 -5.020 -0.350 2.754 1.00 21.15 H new ATOM 0 HB VAL A 43 -2.260 -1.438 3.456 1.00 22.42 H new ATOM 0 HG11 VAL A 43 -1.877 -1.384 1.015 1.00 13.31 H new ATOM 0 HG12 VAL A 43 -3.209 -2.481 1.450 1.00 13.31 H new ATOM 0 HG13 VAL A 43 -3.564 -0.877 0.766 1.00 13.31 H new ATOM 0 HG21 VAL A 43 -1.389 0.630 2.401 1.00 25.12 H new ATOM 0 HG22 VAL A 43 -3.053 1.232 2.219 1.00 25.12 H new ATOM 0 HG23 VAL A 43 -2.368 0.988 3.843 1.00 25.12 H new ATOM 728 N LEU A 44 -5.991 -2.661 2.876 1.00 74.31 N ATOM 729 CA LEU A 44 -6.511 -4.030 2.757 1.00 44.23 C ATOM 730 C LEU A 44 -5.978 -4.638 1.457 1.00 64.22 C ATOM 731 O LEU A 44 -6.192 -4.074 0.378 1.00 75.14 O ATOM 732 CB LEU A 44 -8.065 -4.046 2.738 1.00 72.22 C ATOM 733 CG LEU A 44 -8.783 -3.506 4.010 1.00 52.43 C ATOM 734 CD1 LEU A 44 -10.319 -3.552 3.838 1.00 74.33 C ATOM 735 CD2 LEU A 44 -8.339 -4.269 5.277 1.00 44.04 C ATOM 0 H LEU A 44 -6.576 -1.960 2.421 1.00 74.31 H new ATOM 0 HA LEU A 44 -6.182 -4.610 3.620 1.00 44.23 H new ATOM 0 HB2 LEU A 44 -8.401 -3.460 1.882 1.00 72.22 H new ATOM 0 HB3 LEU A 44 -8.393 -5.072 2.571 1.00 72.22 H new ATOM 0 HG LEU A 44 -8.490 -2.464 4.139 1.00 52.43 H new ATOM 0 HD11 LEU A 44 -10.798 -3.170 4.740 1.00 74.33 H new ATOM 0 HD12 LEU A 44 -10.608 -2.938 2.985 1.00 74.33 H new ATOM 0 HD13 LEU A 44 -10.635 -4.581 3.668 1.00 74.33 H new ATOM 0 HD21 LEU A 44 -8.860 -3.866 6.146 1.00 44.04 H new ATOM 0 HD22 LEU A 44 -8.580 -5.326 5.168 1.00 44.04 H new ATOM 0 HD23 LEU A 44 -7.264 -4.154 5.413 1.00 44.04 H new ATOM 747 N TRP A 45 -5.281 -5.769 1.567 1.00 61.50 N ATOM 748 CA TRP A 45 -4.765 -6.503 0.414 1.00 50.14 C ATOM 749 C TRP A 45 -5.034 -8.007 0.608 1.00 22.21 C ATOM 750 O TRP A 45 -4.766 -8.553 1.680 1.00 45.32 O ATOM 751 CB TRP A 45 -3.249 -6.236 0.231 1.00 32.45 C ATOM 752 CG TRP A 45 -2.673 -6.930 -0.980 1.00 15.12 C ATOM 753 CD1 TRP A 45 -2.972 -6.678 -2.284 1.00 51.42 C ATOM 754 CD2 TRP A 45 -1.725 -7.998 -0.994 1.00 3.12 C ATOM 755 NE1 TRP A 45 -2.274 -7.518 -3.098 1.00 12.23 N ATOM 756 CE2 TRP A 45 -1.502 -8.340 -2.334 1.00 43.30 C ATOM 757 CE3 TRP A 45 -1.049 -8.696 -0.001 1.00 54.22 C ATOM 758 CZ2 TRP A 45 -0.626 -9.349 -2.708 1.00 52.15 C ATOM 759 CZ3 TRP A 45 -0.178 -9.700 -0.368 1.00 52.21 C ATOM 760 CH2 TRP A 45 0.025 -10.020 -1.710 1.00 11.21 C ATOM 0 H TRP A 45 -5.058 -6.203 2.463 1.00 61.50 H new ATOM 0 HA TRP A 45 -5.274 -6.162 -0.487 1.00 50.14 H new ATOM 0 HB2 TRP A 45 -3.082 -5.163 0.142 1.00 32.45 H new ATOM 0 HB3 TRP A 45 -2.716 -6.569 1.122 1.00 32.45 H new ATOM 0 HD1 TRP A 45 -3.663 -5.921 -2.624 1.00 51.42 H new ATOM 0 HE1 TRP A 45 -2.322 -7.530 -4.117 1.00 12.23 H new ATOM 0 HE3 TRP A 45 -1.203 -8.456 1.041 1.00 54.22 H new ATOM 0 HZ2 TRP A 45 -0.465 -9.595 -3.747 1.00 52.15 H new ATOM 0 HZ3 TRP A 45 0.355 -10.247 0.396 1.00 52.21 H new ATOM 0 HH2 TRP A 45 0.711 -10.814 -1.966 1.00 11.21 H new ATOM 771 N LYS A 46 -5.571 -8.653 -0.432 1.00 25.33 N ATOM 772 CA LYS A 46 -5.817 -10.096 -0.443 1.00 15.43 C ATOM 773 C LYS A 46 -4.568 -10.795 -1.012 1.00 2.21 C ATOM 774 O LYS A 46 -4.124 -10.482 -2.120 1.00 63.11 O ATOM 775 CB LYS A 46 -7.075 -10.419 -1.297 1.00 41.20 C ATOM 776 CG LYS A 46 -7.563 -11.884 -1.201 1.00 4.12 C ATOM 777 CD LYS A 46 -8.090 -12.239 0.212 1.00 35.43 C ATOM 778 CE LYS A 46 -8.568 -13.695 0.330 1.00 23.33 C ATOM 779 NZ LYS A 46 -9.653 -14.031 -0.629 1.00 23.33 N ATOM 0 H LYS A 46 -5.848 -8.185 -1.295 1.00 25.33 H new ATOM 0 HA LYS A 46 -6.005 -10.456 0.569 1.00 15.43 H new ATOM 0 HB2 LYS A 46 -7.886 -9.759 -0.988 1.00 41.20 H new ATOM 0 HB3 LYS A 46 -6.858 -10.190 -2.340 1.00 41.20 H new ATOM 0 HG2 LYS A 46 -8.354 -12.050 -1.933 1.00 4.12 H new ATOM 0 HG3 LYS A 46 -6.744 -12.555 -1.459 1.00 4.12 H new ATOM 0 HD2 LYS A 46 -7.301 -12.062 0.943 1.00 35.43 H new ATOM 0 HD3 LYS A 46 -8.914 -11.571 0.464 1.00 35.43 H new ATOM 0 HE2 LYS A 46 -7.723 -14.363 0.163 1.00 23.33 H new ATOM 0 HE3 LYS A 46 -8.920 -13.875 1.346 1.00 23.33 H new ATOM 0 HZ1 LYS A 46 -9.992 -14.997 -0.446 1.00 23.33 H new ATOM 0 HZ2 LYS A 46 -10.439 -13.361 -0.512 1.00 23.33 H new ATOM 0 HZ3 LYS A 46 -9.288 -13.971 -1.601 1.00 23.33 H new ATOM 793 N SER A 47 -3.996 -11.706 -0.229 1.00 13.13 N ATOM 794 CA SER A 47 -2.793 -12.460 -0.619 1.00 70.10 C ATOM 795 C SER A 47 -3.163 -13.691 -1.484 1.00 44.42 C ATOM 796 O SER A 47 -4.313 -14.154 -1.421 1.00 33.40 O ATOM 797 CB SER A 47 -2.031 -12.901 0.651 1.00 54.12 C ATOM 798 OG SER A 47 -2.835 -13.727 1.479 1.00 32.33 O ATOM 0 H SER A 47 -4.349 -11.948 0.697 1.00 13.13 H new ATOM 0 HA SER A 47 -2.153 -11.814 -1.220 1.00 70.10 H new ATOM 0 HB2 SER A 47 -1.127 -13.439 0.366 1.00 54.12 H new ATOM 0 HB3 SER A 47 -1.714 -12.021 1.211 1.00 54.12 H new ATOM 0 HG SER A 47 -3.510 -13.179 1.931 1.00 32.33 H new ATOM 804 N PRO A 48 -2.193 -14.259 -2.283 1.00 72.21 N ATOM 805 CA PRO A 48 -2.397 -15.557 -2.982 1.00 23.22 C ATOM 806 C PRO A 48 -2.494 -16.739 -1.983 1.00 53.24 C ATOM 807 O PRO A 48 -2.925 -17.838 -2.351 1.00 50.24 O ATOM 808 CB PRO A 48 -1.156 -15.677 -3.909 1.00 51.52 C ATOM 809 CG PRO A 48 -0.108 -14.806 -3.279 1.00 12.14 C ATOM 810 CD PRO A 48 -0.857 -13.676 -2.599 1.00 70.14 C ATOM 0 HA PRO A 48 -3.334 -15.592 -3.537 1.00 23.22 H new ATOM 0 HB2 PRO A 48 -0.817 -16.711 -3.982 1.00 51.52 H new ATOM 0 HB3 PRO A 48 -1.387 -15.345 -4.921 1.00 51.52 H new ATOM 0 HG2 PRO A 48 0.486 -15.369 -2.559 1.00 12.14 H new ATOM 0 HG3 PRO A 48 0.582 -14.421 -4.030 1.00 12.14 H new ATOM 0 HD2 PRO A 48 -0.344 -13.345 -1.696 1.00 70.14 H new ATOM 0 HD3 PRO A 48 -0.946 -12.808 -3.252 1.00 70.14 H new ATOM 818 N SER A 49 -2.079 -16.490 -0.722 1.00 63.31 N ATOM 819 CA SER A 49 -2.216 -17.446 0.393 1.00 42.12 C ATOM 820 C SER A 49 -3.701 -17.630 0.791 1.00 41.14 C ATOM 821 O SER A 49 -4.079 -18.663 1.360 1.00 4.40 O ATOM 822 CB SER A 49 -1.385 -16.960 1.608 1.00 30.21 C ATOM 823 OG SER A 49 -1.384 -17.913 2.666 1.00 60.15 O ATOM 0 H SER A 49 -1.636 -15.612 -0.450 1.00 63.31 H new ATOM 0 HA SER A 49 -1.837 -18.414 0.066 1.00 42.12 H new ATOM 0 HB2 SER A 49 -0.360 -16.767 1.293 1.00 30.21 H new ATOM 0 HB3 SER A 49 -1.790 -16.015 1.971 1.00 30.21 H new ATOM 0 HG SER A 49 -0.544 -17.845 3.166 1.00 60.15 H new ATOM 829 N GLY A 50 -4.540 -16.618 0.465 1.00 73.33 N ATOM 830 CA GLY A 50 -5.973 -16.628 0.801 1.00 15.31 C ATOM 831 C GLY A 50 -6.282 -15.876 2.089 1.00 73.24 C ATOM 832 O GLY A 50 -7.337 -16.072 2.703 1.00 74.12 O ATOM 0 H GLY A 50 -4.240 -15.781 -0.034 1.00 73.33 H new ATOM 0 HA2 GLY A 50 -6.537 -16.183 -0.019 1.00 15.31 H new ATOM 0 HA3 GLY A 50 -6.312 -17.660 0.898 1.00 15.31 H new ATOM 836 N LYS A 51 -5.357 -14.995 2.483 1.00 15.42 N ATOM 837 CA LYS A 51 -5.458 -14.201 3.715 1.00 62.12 C ATOM 838 C LYS A 51 -5.673 -12.725 3.374 1.00 41.23 C ATOM 839 O LYS A 51 -5.014 -12.187 2.482 1.00 34.04 O ATOM 840 CB LYS A 51 -4.159 -14.357 4.537 1.00 11.43 C ATOM 841 CG LYS A 51 -3.836 -15.796 4.960 1.00 45.55 C ATOM 842 CD LYS A 51 -4.808 -16.347 6.019 1.00 21.11 C ATOM 843 CE LYS A 51 -4.430 -17.757 6.500 1.00 71.32 C ATOM 844 NZ LYS A 51 -5.308 -18.214 7.614 1.00 11.53 N ATOM 0 H LYS A 51 -4.507 -14.810 1.951 1.00 15.42 H new ATOM 0 HA LYS A 51 -6.306 -14.558 4.299 1.00 62.12 H new ATOM 0 HB2 LYS A 51 -3.326 -13.969 3.951 1.00 11.43 H new ATOM 0 HB3 LYS A 51 -4.235 -13.738 5.431 1.00 11.43 H new ATOM 0 HG2 LYS A 51 -3.862 -16.441 4.082 1.00 45.55 H new ATOM 0 HG3 LYS A 51 -2.820 -15.833 5.353 1.00 45.55 H new ATOM 0 HD2 LYS A 51 -4.829 -15.670 6.873 1.00 21.11 H new ATOM 0 HD3 LYS A 51 -5.816 -16.368 5.604 1.00 21.11 H new ATOM 0 HE2 LYS A 51 -4.504 -18.457 5.668 1.00 71.32 H new ATOM 0 HE3 LYS A 51 -3.391 -17.762 6.830 1.00 71.32 H new ATOM 0 HZ1 LYS A 51 -5.023 -19.169 7.912 1.00 11.53 H new ATOM 0 HZ2 LYS A 51 -5.218 -17.560 8.417 1.00 11.53 H new ATOM 0 HZ3 LYS A 51 -6.297 -18.233 7.292 1.00 11.53 H new ATOM 858 N ILE A 52 -6.582 -12.079 4.108 1.00 21.01 N ATOM 859 CA ILE A 52 -6.812 -10.629 3.992 1.00 54.40 C ATOM 860 C ILE A 52 -5.810 -9.911 4.916 1.00 51.13 C ATOM 861 O ILE A 52 -6.040 -9.772 6.125 1.00 71.44 O ATOM 862 CB ILE A 52 -8.295 -10.210 4.343 1.00 35.24 C ATOM 863 CG1 ILE A 52 -9.321 -11.101 3.568 1.00 11.52 C ATOM 864 CG2 ILE A 52 -8.521 -8.702 4.035 1.00 23.13 C ATOM 865 CD1 ILE A 52 -10.786 -10.861 3.907 1.00 2.52 C ATOM 0 H ILE A 52 -7.178 -12.539 4.796 1.00 21.01 H new ATOM 0 HA ILE A 52 -6.660 -10.337 2.953 1.00 54.40 H new ATOM 0 HB ILE A 52 -8.455 -10.367 5.410 1.00 35.24 H new ATOM 0 HG12 ILE A 52 -9.182 -10.938 2.499 1.00 11.52 H new ATOM 0 HG13 ILE A 52 -9.088 -12.148 3.764 1.00 11.52 H new ATOM 0 HG21 ILE A 52 -9.547 -8.430 4.282 1.00 23.13 H new ATOM 0 HG22 ILE A 52 -7.833 -8.102 4.630 1.00 23.13 H new ATOM 0 HG23 ILE A 52 -8.342 -8.516 2.976 1.00 23.13 H new ATOM 0 HD11 ILE A 52 -11.411 -11.529 3.315 1.00 2.52 H new ATOM 0 HD12 ILE A 52 -10.951 -11.055 4.967 1.00 2.52 H new ATOM 0 HD13 ILE A 52 -11.047 -9.827 3.682 1.00 2.52 H new ATOM 877 N LEU A 53 -4.674 -9.529 4.329 1.00 63.21 N ATOM 878 CA LEU A 53 -3.577 -8.869 5.040 1.00 71.24 C ATOM 879 C LEU A 53 -3.888 -7.379 5.203 1.00 50.52 C ATOM 880 O LEU A 53 -4.309 -6.722 4.245 1.00 23.02 O ATOM 881 CB LEU A 53 -2.252 -9.053 4.255 1.00 24.05 C ATOM 882 CG LEU A 53 -1.879 -10.515 3.865 1.00 53.21 C ATOM 883 CD1 LEU A 53 -0.530 -10.559 3.136 1.00 43.52 C ATOM 884 CD2 LEU A 53 -1.889 -11.453 5.091 1.00 22.51 C ATOM 0 H LEU A 53 -4.488 -9.671 3.336 1.00 63.21 H new ATOM 0 HA LEU A 53 -3.468 -9.319 6.027 1.00 71.24 H new ATOM 0 HB2 LEU A 53 -2.309 -8.459 3.343 1.00 24.05 H new ATOM 0 HB3 LEU A 53 -1.440 -8.640 4.853 1.00 24.05 H new ATOM 0 HG LEU A 53 -2.643 -10.879 3.178 1.00 53.21 H new ATOM 0 HD11 LEU A 53 -0.291 -11.590 2.874 1.00 43.52 H new ATOM 0 HD12 LEU A 53 -0.587 -9.958 2.228 1.00 43.52 H new ATOM 0 HD13 LEU A 53 0.248 -10.161 3.787 1.00 43.52 H new ATOM 0 HD21 LEU A 53 -1.624 -12.463 4.778 1.00 22.51 H new ATOM 0 HD22 LEU A 53 -1.166 -11.099 5.826 1.00 22.51 H new ATOM 0 HD23 LEU A 53 -2.884 -11.460 5.536 1.00 22.51 H new ATOM 896 N LYS A 54 -3.693 -6.859 6.415 1.00 51.23 N ATOM 897 CA LYS A 54 -3.924 -5.441 6.721 1.00 42.30 C ATOM 898 C LYS A 54 -2.588 -4.787 7.115 1.00 4.20 C ATOM 899 O LYS A 54 -1.771 -5.396 7.818 1.00 23.34 O ATOM 900 CB LYS A 54 -4.969 -5.294 7.856 1.00 12.15 C ATOM 901 CG LYS A 54 -6.255 -6.133 7.649 1.00 21.33 C ATOM 902 CD LYS A 54 -7.366 -5.832 8.684 1.00 45.13 C ATOM 903 CE LYS A 54 -6.904 -5.995 10.140 1.00 51.21 C ATOM 904 NZ LYS A 54 -6.444 -7.376 10.444 1.00 0.44 N ATOM 0 H LYS A 54 -3.371 -7.406 7.214 1.00 51.23 H new ATOM 0 HA LYS A 54 -4.321 -4.938 5.839 1.00 42.30 H new ATOM 0 HB2 LYS A 54 -4.507 -5.585 8.800 1.00 12.15 H new ATOM 0 HB3 LYS A 54 -5.245 -4.243 7.947 1.00 12.15 H new ATOM 0 HG2 LYS A 54 -6.643 -5.946 6.648 1.00 21.33 H new ATOM 0 HG3 LYS A 54 -6.000 -7.192 7.700 1.00 21.33 H new ATOM 0 HD2 LYS A 54 -7.724 -4.813 8.536 1.00 45.13 H new ATOM 0 HD3 LYS A 54 -8.211 -6.496 8.502 1.00 45.13 H new ATOM 0 HE2 LYS A 54 -6.094 -5.294 10.341 1.00 51.21 H new ATOM 0 HE3 LYS A 54 -7.724 -5.734 10.809 1.00 51.21 H new ATOM 0 HZ1 LYS A 54 -6.687 -7.614 11.427 1.00 0.44 H new ATOM 0 HZ2 LYS A 54 -6.910 -8.047 9.800 1.00 0.44 H new ATOM 0 HZ3 LYS A 54 -5.413 -7.434 10.318 1.00 0.44 H new ATOM 918 N GLY A 55 -2.375 -3.566 6.619 1.00 24.11 N ATOM 919 CA GLY A 55 -1.183 -2.774 6.929 1.00 74.42 C ATOM 920 C GLY A 55 -1.529 -1.315 7.129 1.00 5.24 C ATOM 921 O GLY A 55 -2.680 -0.933 6.955 1.00 45.33 O ATOM 0 H GLY A 55 -3.026 -3.098 5.989 1.00 24.11 H new ATOM 0 HA2 GLY A 55 -0.709 -3.164 7.829 1.00 74.42 H new ATOM 0 HA3 GLY A 55 -0.459 -2.871 6.120 1.00 74.42 H new ATOM 925 N LYS A 56 -0.543 -0.490 7.496 1.00 41.42 N ATOM 926 CA LYS A 56 -0.767 0.950 7.713 1.00 30.32 C ATOM 927 C LYS A 56 0.360 1.754 7.063 1.00 72.11 C ATOM 928 O LYS A 56 1.538 1.428 7.235 1.00 34.51 O ATOM 929 CB LYS A 56 -0.856 1.264 9.226 1.00 45.01 C ATOM 930 CG LYS A 56 -1.208 2.735 9.537 1.00 24.40 C ATOM 931 CD LYS A 56 -1.282 3.049 11.047 1.00 11.02 C ATOM 932 CE LYS A 56 0.063 2.874 11.769 1.00 22.05 C ATOM 933 NZ LYS A 56 -0.036 3.250 13.208 1.00 44.05 N ATOM 0 H LYS A 56 0.419 -0.791 7.650 1.00 41.42 H new ATOM 0 HA LYS A 56 -1.713 1.233 7.252 1.00 30.32 H new ATOM 0 HB2 LYS A 56 -1.607 0.617 9.678 1.00 45.01 H new ATOM 0 HB3 LYS A 56 0.098 1.021 9.695 1.00 45.01 H new ATOM 0 HG2 LYS A 56 -0.463 3.383 9.076 1.00 24.40 H new ATOM 0 HG3 LYS A 56 -2.167 2.975 9.077 1.00 24.40 H new ATOM 0 HD2 LYS A 56 -1.629 4.074 11.182 1.00 11.02 H new ATOM 0 HD3 LYS A 56 -2.023 2.398 11.511 1.00 11.02 H new ATOM 0 HE2 LYS A 56 0.390 1.838 11.684 1.00 22.05 H new ATOM 0 HE3 LYS A 56 0.821 3.488 11.283 1.00 22.05 H new ATOM 0 HZ1 LYS A 56 0.889 3.120 13.665 1.00 44.05 H new ATOM 0 HZ2 LYS A 56 -0.325 4.246 13.288 1.00 44.05 H new ATOM 0 HZ3 LYS A 56 -0.742 2.647 13.677 1.00 44.05 H new ATOM 947 N ILE A 57 -0.018 2.815 6.331 1.00 41.50 N ATOM 948 CA ILE A 57 0.935 3.687 5.630 1.00 41.35 C ATOM 949 C ILE A 57 1.661 4.576 6.653 1.00 52.00 C ATOM 950 O ILE A 57 1.060 5.471 7.249 1.00 3.23 O ATOM 951 CB ILE A 57 0.206 4.553 4.540 1.00 54.51 C ATOM 952 CG1 ILE A 57 -0.616 3.635 3.585 1.00 25.23 C ATOM 953 CG2 ILE A 57 1.218 5.414 3.745 1.00 1.51 C ATOM 954 CD1 ILE A 57 -1.507 4.354 2.589 1.00 43.42 C ATOM 0 H ILE A 57 -0.992 3.091 6.210 1.00 41.50 H new ATOM 0 HA ILE A 57 1.671 3.071 5.114 1.00 41.35 H new ATOM 0 HB ILE A 57 -0.481 5.233 5.044 1.00 54.51 H new ATOM 0 HG12 ILE A 57 0.078 3.001 3.033 1.00 25.23 H new ATOM 0 HG13 ILE A 57 -1.237 2.975 4.190 1.00 25.23 H new ATOM 0 HG21 ILE A 57 0.686 6.003 2.998 1.00 1.51 H new ATOM 0 HG22 ILE A 57 1.743 6.082 4.428 1.00 1.51 H new ATOM 0 HG23 ILE A 57 1.938 4.764 3.249 1.00 1.51 H new ATOM 0 HD11 ILE A 57 -2.032 3.622 1.976 1.00 43.42 H new ATOM 0 HD12 ILE A 57 -2.233 4.965 3.125 1.00 43.42 H new ATOM 0 HD13 ILE A 57 -0.897 4.992 1.950 1.00 43.42 H new ATOM 966 N VAL A 58 2.945 4.277 6.874 1.00 30.44 N ATOM 967 CA VAL A 58 3.783 4.956 7.884 1.00 54.30 C ATOM 968 C VAL A 58 4.600 6.106 7.259 1.00 60.42 C ATOM 969 O VAL A 58 5.034 7.022 7.970 1.00 71.22 O ATOM 970 CB VAL A 58 4.744 3.926 8.587 1.00 61.34 C ATOM 971 CG1 VAL A 58 3.940 2.837 9.341 1.00 30.11 C ATOM 972 CG2 VAL A 58 5.721 3.295 7.566 1.00 2.41 C ATOM 0 H VAL A 58 3.442 3.552 6.356 1.00 30.44 H new ATOM 0 HA VAL A 58 3.116 5.385 8.632 1.00 54.30 H new ATOM 0 HB VAL A 58 5.336 4.469 9.324 1.00 61.34 H new ATOM 0 HG11 VAL A 58 4.630 2.140 9.817 1.00 30.11 H new ATOM 0 HG12 VAL A 58 3.316 3.306 10.102 1.00 30.11 H new ATOM 0 HG13 VAL A 58 3.308 2.298 8.636 1.00 30.11 H new ATOM 0 HG21 VAL A 58 6.374 2.587 8.077 1.00 2.41 H new ATOM 0 HG22 VAL A 58 5.154 2.774 6.794 1.00 2.41 H new ATOM 0 HG23 VAL A 58 6.324 4.079 7.107 1.00 2.41 H new ATOM 982 N ARG A 59 4.787 6.059 5.927 1.00 22.41 N ATOM 983 CA ARG A 59 5.642 7.021 5.207 1.00 24.44 C ATOM 984 C ARG A 59 5.239 7.055 3.717 1.00 41.44 C ATOM 985 O ARG A 59 4.520 6.178 3.248 1.00 22.42 O ATOM 986 CB ARG A 59 7.147 6.628 5.387 1.00 41.25 C ATOM 987 CG ARG A 59 8.183 7.667 4.899 1.00 4.23 C ATOM 988 CD ARG A 59 8.030 9.040 5.578 1.00 1.43 C ATOM 989 NE ARG A 59 8.128 8.946 7.049 1.00 72.25 N ATOM 990 CZ ARG A 59 7.679 9.870 7.922 1.00 33.10 C ATOM 991 NH1 ARG A 59 7.100 10.987 7.500 1.00 42.13 N ATOM 992 NH2 ARG A 59 7.818 9.666 9.224 1.00 4.51 N ATOM 0 H ARG A 59 4.354 5.360 5.324 1.00 22.41 H new ATOM 0 HA ARG A 59 5.505 8.021 5.618 1.00 24.44 H new ATOM 0 HB2 ARG A 59 7.327 6.434 6.444 1.00 41.25 H new ATOM 0 HB3 ARG A 59 7.323 5.692 4.857 1.00 41.25 H new ATOM 0 HG2 ARG A 59 9.187 7.286 5.087 1.00 4.23 H new ATOM 0 HG3 ARG A 59 8.085 7.789 3.820 1.00 4.23 H new ATOM 0 HD2 ARG A 59 8.800 9.716 5.206 1.00 1.43 H new ATOM 0 HD3 ARG A 59 7.067 9.473 5.306 1.00 1.43 H new ATOM 0 HE ARG A 59 8.572 8.113 7.436 1.00 72.25 H new ATOM 0 HH11 ARG A 59 6.989 11.158 6.501 1.00 42.13 H new ATOM 0 HH12 ARG A 59 6.766 11.675 8.175 1.00 42.13 H new ATOM 0 HH21 ARG A 59 8.263 8.813 9.562 1.00 4.51 H new ATOM 0 HH22 ARG A 59 7.480 10.362 9.888 1.00 4.51 H new ATOM 1006 N VAL A 60 5.658 8.114 3.003 1.00 14.21 N ATOM 1007 CA VAL A 60 5.520 8.219 1.530 1.00 34.44 C ATOM 1008 C VAL A 60 6.897 8.073 0.869 1.00 13.32 C ATOM 1009 O VAL A 60 7.928 8.099 1.557 1.00 32.23 O ATOM 1010 CB VAL A 60 4.864 9.584 1.104 1.00 3.44 C ATOM 1011 CG1 VAL A 60 3.462 9.708 1.708 1.00 1.11 C ATOM 1012 CG2 VAL A 60 5.737 10.801 1.499 1.00 64.30 C ATOM 0 H VAL A 60 6.104 8.927 3.428 1.00 14.21 H new ATOM 0 HA VAL A 60 4.863 7.416 1.196 1.00 34.44 H new ATOM 0 HB VAL A 60 4.787 9.585 0.017 1.00 3.44 H new ATOM 0 HG11 VAL A 60 3.018 10.657 1.406 1.00 1.11 H new ATOM 0 HG12 VAL A 60 2.839 8.887 1.353 1.00 1.11 H new ATOM 0 HG13 VAL A 60 3.529 9.669 2.795 1.00 1.11 H new ATOM 0 HG21 VAL A 60 5.243 11.720 1.184 1.00 64.30 H new ATOM 0 HG22 VAL A 60 5.874 10.815 2.580 1.00 64.30 H new ATOM 0 HG23 VAL A 60 6.709 10.726 1.011 1.00 64.30 H new ATOM 1022 N HIS A 61 6.909 7.930 -0.461 1.00 55.22 N ATOM 1023 CA HIS A 61 8.150 7.788 -1.241 1.00 22.53 C ATOM 1024 C HIS A 61 8.178 8.863 -2.338 1.00 32.53 C ATOM 1025 O HIS A 61 7.460 8.753 -3.342 1.00 12.33 O ATOM 1026 CB HIS A 61 8.263 6.365 -1.854 1.00 40.41 C ATOM 1027 CG HIS A 61 9.578 6.107 -2.549 1.00 65.10 C ATOM 1028 ND1 HIS A 61 10.683 5.617 -1.893 1.00 14.34 N ATOM 1029 CD2 HIS A 61 9.960 6.287 -3.843 1.00 63.51 C ATOM 1030 CE1 HIS A 61 11.685 5.507 -2.745 1.00 51.41 C ATOM 1031 NE2 HIS A 61 11.274 5.905 -3.929 1.00 44.21 N ATOM 0 H HIS A 61 6.062 7.909 -1.029 1.00 55.22 H new ATOM 0 HA HIS A 61 9.007 7.924 -0.581 1.00 22.53 H new ATOM 0 HB2 HIS A 61 8.129 5.627 -1.063 1.00 40.41 H new ATOM 0 HB3 HIS A 61 7.451 6.220 -2.567 1.00 40.41 H new ATOM 0 HD2 HIS A 61 9.345 6.660 -4.649 1.00 63.51 H new ATOM 0 HE1 HIS A 61 12.677 5.150 -2.509 1.00 51.41 H new ATOM 0 HE2 HIS A 61 11.842 5.926 -4.776 1.00 44.21 H new ATOM 1040 N GLY A 62 9.005 9.901 -2.115 1.00 64.43 N ATOM 1041 CA GLY A 62 9.179 10.995 -3.066 1.00 72.04 C ATOM 1042 C GLY A 62 7.906 11.805 -3.295 1.00 4.32 C ATOM 1043 O GLY A 62 7.160 12.076 -2.346 1.00 15.22 O ATOM 0 H GLY A 62 9.567 9.997 -1.269 1.00 64.43 H new ATOM 0 HA2 GLY A 62 9.964 11.659 -2.705 1.00 72.04 H new ATOM 0 HA3 GLY A 62 9.519 10.588 -4.019 1.00 72.04 H new ATOM 1047 N THR A 63 7.665 12.196 -4.555 1.00 25.42 N ATOM 1048 CA THR A 63 6.491 12.983 -4.956 1.00 44.10 C ATOM 1049 C THR A 63 5.573 12.193 -5.903 1.00 13.10 C ATOM 1050 O THR A 63 4.558 12.720 -6.359 1.00 40.22 O ATOM 1051 CB THR A 63 6.939 14.321 -5.635 1.00 34.14 C ATOM 1052 OG1 THR A 63 7.788 14.028 -6.761 1.00 20.10 O ATOM 1053 CG2 THR A 63 7.684 15.250 -4.653 1.00 54.40 C ATOM 0 H THR A 63 8.287 11.972 -5.332 1.00 25.42 H new ATOM 0 HA THR A 63 5.924 13.210 -4.053 1.00 44.10 H new ATOM 0 HB THR A 63 6.040 14.842 -5.964 1.00 34.14 H new ATOM 0 HG1 THR A 63 8.067 14.865 -7.187 1.00 20.10 H new ATOM 0 HG21 THR A 63 7.975 16.165 -5.168 1.00 54.40 H new ATOM 0 HG22 THR A 63 7.029 15.497 -3.817 1.00 54.40 H new ATOM 0 HG23 THR A 63 8.575 14.745 -4.279 1.00 54.40 H new ATOM 1061 N LYS A 64 5.904 10.910 -6.155 1.00 52.21 N ATOM 1062 CA LYS A 64 5.226 10.082 -7.181 1.00 21.34 C ATOM 1063 C LYS A 64 3.905 9.469 -6.656 1.00 63.43 C ATOM 1064 O LYS A 64 3.241 8.717 -7.375 1.00 62.11 O ATOM 1065 CB LYS A 64 6.196 8.962 -7.674 1.00 24.43 C ATOM 1066 CG LYS A 64 7.568 9.481 -8.157 1.00 55.14 C ATOM 1067 CD LYS A 64 7.466 10.436 -9.373 1.00 13.22 C ATOM 1068 CE LYS A 64 8.813 11.100 -9.709 1.00 41.22 C ATOM 1069 NZ LYS A 64 9.867 10.108 -10.069 1.00 23.42 N ATOM 0 H LYS A 64 6.645 10.418 -5.657 1.00 52.21 H new ATOM 0 HA LYS A 64 4.963 10.730 -8.017 1.00 21.34 H new ATOM 0 HB2 LYS A 64 6.354 8.251 -6.863 1.00 24.43 H new ATOM 0 HB3 LYS A 64 5.719 8.416 -8.488 1.00 24.43 H new ATOM 0 HG2 LYS A 64 8.062 10.000 -7.336 1.00 55.14 H new ATOM 0 HG3 LYS A 64 8.198 8.632 -8.422 1.00 55.14 H new ATOM 0 HD2 LYS A 64 7.111 9.879 -10.241 1.00 13.22 H new ATOM 0 HD3 LYS A 64 6.725 11.208 -9.165 1.00 13.22 H new ATOM 0 HE2 LYS A 64 8.675 11.795 -10.537 1.00 41.22 H new ATOM 0 HE3 LYS A 64 9.148 11.687 -8.854 1.00 41.22 H new ATOM 0 HZ1 LYS A 64 10.753 10.607 -10.286 1.00 23.42 H new ATOM 0 HZ2 LYS A 64 10.021 9.460 -9.270 1.00 23.42 H new ATOM 0 HZ3 LYS A 64 9.562 9.565 -10.902 1.00 23.42 H new ATOM 1083 N GLY A 65 3.538 9.783 -5.390 1.00 25.34 N ATOM 1084 CA GLY A 65 2.312 9.252 -4.774 1.00 52.33 C ATOM 1085 C GLY A 65 2.479 7.830 -4.245 1.00 62.20 C ATOM 1086 O GLY A 65 1.529 7.254 -3.712 1.00 42.42 O ATOM 0 H GLY A 65 4.076 10.400 -4.782 1.00 25.34 H new ATOM 0 HA2 GLY A 65 2.011 9.905 -3.955 1.00 52.33 H new ATOM 0 HA3 GLY A 65 1.506 9.269 -5.508 1.00 52.33 H new ATOM 1090 N ALA A 66 3.698 7.274 -4.392 1.00 22.42 N ATOM 1091 CA ALA A 66 4.035 5.935 -3.906 1.00 73.54 C ATOM 1092 C ALA A 66 4.030 5.912 -2.369 1.00 32.21 C ATOM 1093 O ALA A 66 4.760 6.676 -1.736 1.00 1.53 O ATOM 1094 CB ALA A 66 5.400 5.490 -4.469 1.00 55.21 C ATOM 0 H ALA A 66 4.474 7.748 -4.854 1.00 22.42 H new ATOM 0 HA ALA A 66 3.282 5.229 -4.256 1.00 73.54 H new ATOM 0 HB1 ALA A 66 5.638 4.493 -4.100 1.00 55.21 H new ATOM 0 HB2 ALA A 66 5.356 5.473 -5.558 1.00 55.21 H new ATOM 0 HB3 ALA A 66 6.172 6.190 -4.148 1.00 55.21 H new ATOM 1100 N VAL A 67 3.192 5.044 -1.783 1.00 40.33 N ATOM 1101 CA VAL A 67 3.019 4.962 -0.324 1.00 33.20 C ATOM 1102 C VAL A 67 3.785 3.757 0.251 1.00 62.54 C ATOM 1103 O VAL A 67 3.858 2.682 -0.366 1.00 51.14 O ATOM 1104 CB VAL A 67 1.496 4.890 0.079 1.00 35.32 C ATOM 1105 CG1 VAL A 67 0.749 6.180 -0.329 1.00 0.23 C ATOM 1106 CG2 VAL A 67 0.801 3.636 -0.504 1.00 1.42 C ATOM 0 H VAL A 67 2.617 4.382 -2.304 1.00 40.33 H new ATOM 0 HA VAL A 67 3.433 5.875 0.104 1.00 33.20 H new ATOM 0 HB VAL A 67 1.456 4.805 1.165 1.00 35.32 H new ATOM 0 HG11 VAL A 67 -0.299 6.101 -0.038 1.00 0.23 H new ATOM 0 HG12 VAL A 67 1.201 7.036 0.172 1.00 0.23 H new ATOM 0 HG13 VAL A 67 0.817 6.314 -1.409 1.00 0.23 H new ATOM 0 HG21 VAL A 67 -0.246 3.627 -0.202 1.00 1.42 H new ATOM 0 HG22 VAL A 67 0.864 3.658 -1.592 1.00 1.42 H new ATOM 0 HG23 VAL A 67 1.295 2.739 -0.130 1.00 1.42 H new ATOM 1116 N ARG A 68 4.381 3.967 1.429 1.00 50.00 N ATOM 1117 CA ARG A 68 5.127 2.942 2.160 1.00 41.22 C ATOM 1118 C ARG A 68 4.261 2.433 3.335 1.00 60.31 C ATOM 1119 O ARG A 68 4.095 3.128 4.344 1.00 61.21 O ATOM 1120 CB ARG A 68 6.483 3.538 2.659 1.00 24.20 C ATOM 1121 CG ARG A 68 7.436 2.499 3.269 1.00 12.51 C ATOM 1122 CD ARG A 68 8.766 3.075 3.786 1.00 1.22 C ATOM 1123 NE ARG A 68 9.683 1.989 4.199 1.00 11.54 N ATOM 1124 CZ ARG A 68 10.728 2.108 5.036 1.00 61.50 C ATOM 1125 NH1 ARG A 68 11.034 3.281 5.584 1.00 2.11 N ATOM 1126 NH2 ARG A 68 11.473 1.046 5.297 1.00 30.44 N ATOM 0 H ARG A 68 4.357 4.868 1.907 1.00 50.00 H new ATOM 0 HA ARG A 68 5.354 2.098 1.509 1.00 41.22 H new ATOM 0 HB2 ARG A 68 6.983 4.027 1.823 1.00 24.20 H new ATOM 0 HB3 ARG A 68 6.278 4.308 3.402 1.00 24.20 H new ATOM 0 HG2 ARG A 68 6.927 1.998 4.093 1.00 12.51 H new ATOM 0 HG3 ARG A 68 7.652 1.739 2.519 1.00 12.51 H new ATOM 0 HD2 ARG A 68 9.235 3.676 3.007 1.00 1.22 H new ATOM 0 HD3 ARG A 68 8.577 3.738 4.630 1.00 1.22 H new ATOM 0 HE ARG A 68 9.505 1.062 3.812 1.00 11.54 H new ATOM 0 HH11 ARG A 68 10.473 4.105 5.371 1.00 2.11 H new ATOM 0 HH12 ARG A 68 11.830 3.356 6.217 1.00 2.11 H new ATOM 0 HH21 ARG A 68 11.252 0.149 4.865 1.00 30.44 H new ATOM 0 HH22 ARG A 68 12.269 1.124 5.931 1.00 30.44 H new ATOM 1140 N ALA A 69 3.691 1.226 3.176 1.00 22.30 N ATOM 1141 CA ALA A 69 2.774 0.628 4.163 1.00 55.31 C ATOM 1142 C ALA A 69 3.415 -0.599 4.820 1.00 61.14 C ATOM 1143 O ALA A 69 4.021 -1.416 4.135 1.00 70.04 O ATOM 1144 CB ALA A 69 1.451 0.252 3.483 1.00 35.32 C ATOM 0 H ALA A 69 3.853 0.637 2.359 1.00 22.30 H new ATOM 0 HA ALA A 69 2.570 1.360 4.945 1.00 55.31 H new ATOM 0 HB1 ALA A 69 0.777 -0.190 4.217 1.00 35.32 H new ATOM 0 HB2 ALA A 69 0.992 1.146 3.061 1.00 35.32 H new ATOM 0 HB3 ALA A 69 1.643 -0.468 2.687 1.00 35.32 H new ATOM 1150 N ARG A 70 3.281 -0.719 6.150 1.00 1.21 N ATOM 1151 CA ARG A 70 3.830 -1.854 6.907 1.00 21.35 C ATOM 1152 C ARG A 70 2.701 -2.791 7.337 1.00 41.34 C ATOM 1153 O ARG A 70 1.810 -2.392 8.095 1.00 13.31 O ATOM 1154 CB ARG A 70 4.639 -1.356 8.128 1.00 42.21 C ATOM 1155 CG ARG A 70 5.823 -0.450 7.747 1.00 31.23 C ATOM 1156 CD ARG A 70 6.758 -0.156 8.922 1.00 22.31 C ATOM 1157 NE ARG A 70 7.445 -1.366 9.400 1.00 61.55 N ATOM 1158 CZ ARG A 70 8.340 -1.401 10.399 1.00 23.22 C ATOM 1159 NH1 ARG A 70 8.682 -0.290 11.061 1.00 12.34 N ATOM 1160 NH2 ARG A 70 8.887 -2.562 10.733 1.00 1.33 N ATOM 0 H ARG A 70 2.792 -0.036 6.728 1.00 1.21 H new ATOM 0 HA ARG A 70 4.512 -2.411 6.264 1.00 21.35 H new ATOM 0 HB2 ARG A 70 3.974 -0.810 8.797 1.00 42.21 H new ATOM 0 HB3 ARG A 70 5.013 -2.217 8.682 1.00 42.21 H new ATOM 0 HG2 ARG A 70 6.392 -0.924 6.947 1.00 31.23 H new ATOM 0 HG3 ARG A 70 5.440 0.491 7.351 1.00 31.23 H new ATOM 0 HD2 ARG A 70 7.498 0.585 8.619 1.00 22.31 H new ATOM 0 HD3 ARG A 70 6.185 0.282 9.740 1.00 22.31 H new ATOM 0 HE ARG A 70 7.224 -2.247 8.936 1.00 61.55 H new ATOM 0 HH11 ARG A 70 8.260 0.604 10.809 1.00 12.34 H new ATOM 0 HH12 ARG A 70 9.364 -0.337 11.818 1.00 12.34 H new ATOM 0 HH21 ARG A 70 8.626 -3.412 10.233 1.00 1.33 H new ATOM 0 HH22 ARG A 70 9.569 -2.605 11.490 1.00 1.33 H new ATOM 1174 N PHE A 71 2.751 -4.035 6.834 1.00 71.31 N ATOM 1175 CA PHE A 71 1.729 -5.056 7.075 1.00 53.04 C ATOM 1176 C PHE A 71 2.087 -5.921 8.292 1.00 63.22 C ATOM 1177 O PHE A 71 3.262 -6.236 8.517 1.00 23.22 O ATOM 1178 CB PHE A 71 1.540 -5.930 5.801 1.00 54.23 C ATOM 1179 CG PHE A 71 0.753 -5.245 4.679 1.00 61.12 C ATOM 1180 CD1 PHE A 71 1.265 -4.127 4.011 1.00 3.23 C ATOM 1181 CD2 PHE A 71 -0.503 -5.719 4.299 1.00 31.14 C ATOM 1182 CE1 PHE A 71 0.538 -3.508 3.012 1.00 4.13 C ATOM 1183 CE2 PHE A 71 -1.225 -5.098 3.296 1.00 63.14 C ATOM 1184 CZ PHE A 71 -0.703 -3.999 2.651 1.00 72.41 C ATOM 0 H PHE A 71 3.514 -4.360 6.241 1.00 71.31 H new ATOM 0 HA PHE A 71 0.785 -4.557 7.297 1.00 53.04 H new ATOM 0 HB2 PHE A 71 2.521 -6.214 5.420 1.00 54.23 H new ATOM 0 HB3 PHE A 71 1.027 -6.851 6.079 1.00 54.23 H new ATOM 0 HD1 PHE A 71 2.239 -3.744 4.279 1.00 3.23 H new ATOM 0 HD2 PHE A 71 -0.918 -6.584 4.796 1.00 31.14 H new ATOM 0 HE1 PHE A 71 0.940 -2.639 2.512 1.00 4.13 H new ATOM 0 HE2 PHE A 71 -2.198 -5.475 3.019 1.00 63.14 H new ATOM 0 HZ PHE A 71 -1.264 -3.520 1.862 1.00 72.41 H new ATOM 1194 N GLU A 72 1.041 -6.306 9.048 1.00 74.14 N ATOM 1195 CA GLU A 72 1.144 -7.181 10.241 1.00 54.32 C ATOM 1196 C GLU A 72 1.728 -8.566 9.882 1.00 11.43 C ATOM 1197 O GLU A 72 2.383 -9.211 10.704 1.00 62.20 O ATOM 1198 CB GLU A 72 -0.267 -7.333 10.872 1.00 1.01 C ATOM 1199 CG GLU A 72 -1.304 -7.979 9.922 1.00 33.34 C ATOM 1200 CD GLU A 72 -2.691 -8.142 10.543 1.00 63.32 C ATOM 1201 OE1 GLU A 72 -2.825 -8.931 11.501 1.00 10.51 O ATOM 1202 OE2 GLU A 72 -3.649 -7.493 10.079 1.00 70.22 O ATOM 0 H GLU A 72 0.084 -6.016 8.847 1.00 74.14 H new ATOM 0 HA GLU A 72 1.826 -6.722 10.957 1.00 54.32 H new ATOM 0 HB2 GLU A 72 -0.189 -7.937 11.776 1.00 1.01 H new ATOM 0 HB3 GLU A 72 -0.628 -6.350 11.176 1.00 1.01 H new ATOM 0 HG2 GLU A 72 -1.388 -7.369 9.022 1.00 33.34 H new ATOM 0 HG3 GLU A 72 -0.938 -8.957 9.611 1.00 33.34 H new ATOM 1209 N LYS A 73 1.457 -9.018 8.653 1.00 62.24 N ATOM 1210 CA LYS A 73 1.943 -10.298 8.130 1.00 11.11 C ATOM 1211 C LYS A 73 2.808 -10.028 6.890 1.00 31.34 C ATOM 1212 O LYS A 73 4.035 -10.100 6.956 1.00 44.43 O ATOM 1213 CB LYS A 73 0.741 -11.234 7.779 1.00 71.23 C ATOM 1214 CG LYS A 73 -0.247 -11.585 8.945 1.00 54.22 C ATOM 1215 CD LYS A 73 0.129 -12.851 9.766 1.00 61.04 C ATOM 1216 CE LYS A 73 1.431 -12.727 10.586 1.00 52.25 C ATOM 1217 NZ LYS A 73 1.359 -11.661 11.625 1.00 41.33 N ATOM 0 H LYS A 73 0.887 -8.498 7.986 1.00 62.24 H new ATOM 0 HA LYS A 73 2.545 -10.802 8.886 1.00 11.11 H new ATOM 0 HB2 LYS A 73 0.169 -10.766 6.978 1.00 71.23 H new ATOM 0 HB3 LYS A 73 1.142 -12.166 7.381 1.00 71.23 H new ATOM 0 HG2 LYS A 73 -0.302 -10.734 9.623 1.00 54.22 H new ATOM 0 HG3 LYS A 73 -1.244 -11.724 8.527 1.00 54.22 H new ATOM 0 HD2 LYS A 73 -0.691 -13.083 10.445 1.00 61.04 H new ATOM 0 HD3 LYS A 73 0.225 -13.695 9.083 1.00 61.04 H new ATOM 0 HE2 LYS A 73 1.645 -13.682 11.066 1.00 52.25 H new ATOM 0 HE3 LYS A 73 2.261 -12.516 9.912 1.00 52.25 H new ATOM 0 HZ1 LYS A 73 1.808 -11.998 12.500 1.00 41.33 H new ATOM 0 HZ2 LYS A 73 1.855 -10.812 11.286 1.00 41.33 H new ATOM 0 HZ3 LYS A 73 0.363 -11.428 11.814 1.00 41.33 H new ATOM 1231 N GLY A 74 2.157 -9.651 5.769 1.00 24.13 N ATOM 1232 CA GLY A 74 2.862 -9.455 4.505 1.00 73.12 C ATOM 1233 C GLY A 74 3.422 -10.765 3.961 1.00 23.11 C ATOM 1234 O GLY A 74 4.629 -10.900 3.735 1.00 43.54 O ATOM 0 H GLY A 74 1.153 -9.480 5.723 1.00 24.13 H new ATOM 0 HA2 GLY A 74 2.182 -9.018 3.773 1.00 73.12 H new ATOM 0 HA3 GLY A 74 3.675 -8.744 4.649 1.00 73.12 H new ATOM 1238 N LEU A 75 2.508 -11.727 3.770 1.00 23.20 N ATOM 1239 CA LEU A 75 2.832 -13.080 3.315 1.00 32.02 C ATOM 1240 C LEU A 75 3.353 -13.054 1.853 1.00 74.13 C ATOM 1241 O LEU A 75 2.656 -12.563 0.954 1.00 65.31 O ATOM 1242 CB LEU A 75 1.570 -13.981 3.457 1.00 3.04 C ATOM 1243 CG LEU A 75 1.171 -14.343 4.919 1.00 24.33 C ATOM 1244 CD1 LEU A 75 -0.175 -15.092 4.969 1.00 65.22 C ATOM 1245 CD2 LEU A 75 2.293 -15.163 5.597 1.00 74.22 C ATOM 0 H LEU A 75 1.511 -11.582 3.930 1.00 23.20 H new ATOM 0 HA LEU A 75 3.629 -13.495 3.933 1.00 32.02 H new ATOM 0 HB2 LEU A 75 0.728 -13.476 2.983 1.00 3.04 H new ATOM 0 HB3 LEU A 75 1.740 -14.905 2.905 1.00 3.04 H new ATOM 0 HG LEU A 75 1.043 -13.413 5.473 1.00 24.33 H new ATOM 0 HD11 LEU A 75 -0.422 -15.328 6.004 1.00 65.22 H new ATOM 0 HD12 LEU A 75 -0.957 -14.463 4.544 1.00 65.22 H new ATOM 0 HD13 LEU A 75 -0.099 -16.015 4.394 1.00 65.22 H new ATOM 0 HD21 LEU A 75 1.999 -15.408 6.618 1.00 74.22 H new ATOM 0 HD22 LEU A 75 2.460 -16.083 5.037 1.00 74.22 H new ATOM 0 HD23 LEU A 75 3.212 -14.577 5.615 1.00 74.22 H new ATOM 1257 N PRO A 76 4.593 -13.594 1.623 1.00 1.43 N ATOM 1258 CA PRO A 76 5.335 -13.447 0.345 1.00 14.13 C ATOM 1259 C PRO A 76 4.781 -14.337 -0.797 1.00 73.30 C ATOM 1260 O PRO A 76 4.211 -15.411 -0.558 1.00 2.43 O ATOM 1261 CB PRO A 76 6.772 -13.867 0.752 1.00 42.54 C ATOM 1262 CG PRO A 76 6.569 -14.886 1.831 1.00 70.13 C ATOM 1263 CD PRO A 76 5.367 -14.411 2.607 1.00 34.10 C ATOM 0 HA PRO A 76 5.261 -12.441 -0.067 1.00 14.13 H new ATOM 0 HB2 PRO A 76 7.318 -14.286 -0.093 1.00 42.54 H new ATOM 0 HB3 PRO A 76 7.348 -13.015 1.113 1.00 42.54 H new ATOM 0 HG2 PRO A 76 6.398 -15.877 1.409 1.00 70.13 H new ATOM 0 HG3 PRO A 76 7.447 -14.960 2.472 1.00 70.13 H new ATOM 0 HD2 PRO A 76 4.778 -15.249 2.980 1.00 34.10 H new ATOM 0 HD3 PRO A 76 5.661 -13.818 3.473 1.00 34.10 H new ATOM 1271 N GLY A 77 4.962 -13.862 -2.033 1.00 33.43 N ATOM 1272 CA GLY A 77 4.555 -14.588 -3.234 1.00 22.22 C ATOM 1273 C GLY A 77 4.720 -13.729 -4.474 1.00 54.54 C ATOM 1274 O GLY A 77 5.029 -12.542 -4.363 1.00 14.44 O ATOM 0 H GLY A 77 5.397 -12.960 -2.227 1.00 33.43 H new ATOM 0 HA2 GLY A 77 5.151 -15.495 -3.334 1.00 22.22 H new ATOM 0 HA3 GLY A 77 3.515 -14.899 -3.139 1.00 22.22 H new ATOM 1278 N GLN A 78 4.551 -14.319 -5.668 1.00 52.53 N ATOM 1279 CA GLN A 78 4.611 -13.566 -6.941 1.00 42.45 C ATOM 1280 C GLN A 78 3.211 -13.000 -7.269 1.00 12.13 C ATOM 1281 O GLN A 78 2.508 -13.480 -8.168 1.00 15.14 O ATOM 1282 CB GLN A 78 5.175 -14.452 -8.093 1.00 12.51 C ATOM 1283 CG GLN A 78 5.461 -13.686 -9.408 1.00 74.34 C ATOM 1284 CD GLN A 78 6.072 -14.543 -10.516 1.00 50.11 C ATOM 1285 OE1 GLN A 78 6.798 -15.510 -10.257 1.00 30.24 O ATOM 1286 NE2 GLN A 78 5.793 -14.190 -11.763 1.00 60.13 N ATOM 0 H GLN A 78 4.371 -15.316 -5.783 1.00 52.53 H new ATOM 0 HA GLN A 78 5.300 -12.728 -6.833 1.00 42.45 H new ATOM 0 HB2 GLN A 78 6.097 -14.924 -7.754 1.00 12.51 H new ATOM 0 HB3 GLN A 78 4.465 -15.253 -8.300 1.00 12.51 H new ATOM 0 HG2 GLN A 78 4.529 -13.253 -9.772 1.00 74.34 H new ATOM 0 HG3 GLN A 78 6.135 -12.857 -9.192 1.00 74.34 H new ATOM 0 HE21 GLN A 78 5.190 -13.387 -11.943 1.00 60.13 H new ATOM 0 HE22 GLN A 78 6.181 -14.722 -12.542 1.00 60.13 H new ATOM 1295 N ALA A 79 2.788 -12.023 -6.453 1.00 61.34 N ATOM 1296 CA ALA A 79 1.511 -11.307 -6.615 1.00 23.04 C ATOM 1297 C ALA A 79 1.763 -9.802 -6.824 1.00 62.33 C ATOM 1298 O ALA A 79 0.933 -8.962 -6.472 1.00 52.40 O ATOM 1299 CB ALA A 79 0.603 -11.585 -5.402 1.00 53.00 C ATOM 0 H ALA A 79 3.330 -11.703 -5.650 1.00 61.34 H new ATOM 0 HA ALA A 79 0.996 -11.670 -7.504 1.00 23.04 H new ATOM 0 HB1 ALA A 79 -0.341 -11.054 -5.525 1.00 53.00 H new ATOM 0 HB2 ALA A 79 0.410 -12.655 -5.329 1.00 53.00 H new ATOM 0 HB3 ALA A 79 1.096 -11.243 -4.492 1.00 53.00 H new ATOM 1305 N LEU A 80 2.935 -9.463 -7.392 1.00 13.11 N ATOM 1306 CA LEU A 80 3.276 -8.069 -7.740 1.00 42.41 C ATOM 1307 C LEU A 80 2.436 -7.595 -8.940 1.00 2.33 C ATOM 1308 O LEU A 80 2.263 -8.334 -9.920 1.00 42.51 O ATOM 1309 CB LEU A 80 4.795 -7.934 -8.026 1.00 34.14 C ATOM 1310 CG LEU A 80 5.729 -8.224 -6.813 1.00 72.33 C ATOM 1311 CD1 LEU A 80 7.213 -8.067 -7.195 1.00 23.54 C ATOM 1312 CD2 LEU A 80 5.358 -7.328 -5.614 1.00 23.24 C ATOM 0 H LEU A 80 3.665 -10.138 -7.621 1.00 13.11 H new ATOM 0 HA LEU A 80 3.040 -7.428 -6.890 1.00 42.41 H new ATOM 0 HB2 LEU A 80 5.057 -8.614 -8.836 1.00 34.14 H new ATOM 0 HB3 LEU A 80 4.993 -6.923 -8.382 1.00 34.14 H new ATOM 0 HG LEU A 80 5.582 -9.262 -6.516 1.00 72.33 H new ATOM 0 HD11 LEU A 80 7.837 -8.276 -6.326 1.00 23.54 H new ATOM 0 HD12 LEU A 80 7.459 -8.766 -7.995 1.00 23.54 H new ATOM 0 HD13 LEU A 80 7.395 -7.048 -7.535 1.00 23.54 H new ATOM 0 HD21 LEU A 80 6.022 -7.546 -4.778 1.00 23.24 H new ATOM 0 HD22 LEU A 80 5.462 -6.280 -5.897 1.00 23.24 H new ATOM 0 HD23 LEU A 80 4.327 -7.523 -5.319 1.00 23.24 H new ATOM 1324 N GLY A 81 1.911 -6.366 -8.841 1.00 23.14 N ATOM 1325 CA GLY A 81 0.959 -5.830 -9.817 1.00 53.33 C ATOM 1326 C GLY A 81 -0.491 -5.979 -9.364 1.00 71.02 C ATOM 1327 O GLY A 81 -1.407 -5.474 -10.028 1.00 74.21 O ATOM 0 H GLY A 81 2.135 -5.720 -8.084 1.00 23.14 H new ATOM 0 HA2 GLY A 81 1.176 -4.776 -9.989 1.00 53.33 H new ATOM 0 HA3 GLY A 81 1.093 -6.343 -10.769 1.00 53.33 H new ATOM 1331 N ASP A 82 -0.699 -6.685 -8.230 1.00 15.05 N ATOM 1332 CA ASP A 82 -2.035 -6.882 -7.633 1.00 32.42 C ATOM 1333 C ASP A 82 -2.476 -5.588 -6.926 1.00 45.41 C ATOM 1334 O ASP A 82 -1.636 -4.773 -6.529 1.00 2.15 O ATOM 1335 CB ASP A 82 -2.023 -8.084 -6.650 1.00 55.52 C ATOM 1336 CG ASP A 82 -3.435 -8.578 -6.287 1.00 53.53 C ATOM 1337 OD1 ASP A 82 -4.030 -8.075 -5.311 1.00 53.34 O ATOM 1338 OD2 ASP A 82 -3.966 -9.468 -6.992 1.00 22.32 O ATOM 0 H ASP A 82 0.053 -7.132 -7.706 1.00 15.05 H new ATOM 0 HA ASP A 82 -2.752 -7.111 -8.421 1.00 32.42 H new ATOM 0 HB2 ASP A 82 -1.460 -8.905 -7.095 1.00 55.52 H new ATOM 0 HB3 ASP A 82 -1.499 -7.796 -5.739 1.00 55.52 H new ATOM 1343 N TYR A 83 -3.786 -5.395 -6.774 1.00 30.21 N ATOM 1344 CA TYR A 83 -4.355 -4.121 -6.322 1.00 31.25 C ATOM 1345 C TYR A 83 -4.764 -4.162 -4.840 1.00 42.45 C ATOM 1346 O TYR A 83 -5.231 -5.183 -4.337 1.00 40.45 O ATOM 1347 CB TYR A 83 -5.564 -3.768 -7.208 1.00 5.04 C ATOM 1348 CG TYR A 83 -5.204 -3.520 -8.686 1.00 63.11 C ATOM 1349 CD1 TYR A 83 -5.199 -4.559 -9.627 1.00 0.10 C ATOM 1350 CD2 TYR A 83 -4.877 -2.238 -9.139 1.00 40.34 C ATOM 1351 CE1 TYR A 83 -4.874 -4.323 -10.956 1.00 50.24 C ATOM 1352 CE2 TYR A 83 -4.558 -2.004 -10.463 1.00 21.32 C ATOM 1353 CZ TYR A 83 -4.561 -3.046 -11.366 1.00 35.20 C ATOM 1354 OH TYR A 83 -4.240 -2.804 -12.688 1.00 61.20 O ATOM 0 H TYR A 83 -4.484 -6.115 -6.960 1.00 30.21 H new ATOM 0 HA TYR A 83 -3.589 -3.351 -6.415 1.00 31.25 H new ATOM 0 HB2 TYR A 83 -6.291 -4.578 -7.152 1.00 5.04 H new ATOM 0 HB3 TYR A 83 -6.048 -2.877 -6.808 1.00 5.04 H new ATOM 0 HD1 TYR A 83 -5.452 -5.561 -9.313 1.00 0.10 H new ATOM 0 HD2 TYR A 83 -4.874 -1.415 -8.440 1.00 40.34 H new ATOM 0 HE1 TYR A 83 -4.867 -5.137 -11.665 1.00 50.24 H new ATOM 0 HE2 TYR A 83 -4.307 -1.006 -10.790 1.00 21.32 H new ATOM 0 HH TYR A 83 -4.047 -1.851 -12.808 1.00 61.20 H new ATOM 1364 N VAL A 84 -4.591 -3.016 -4.166 1.00 11.11 N ATOM 1365 CA VAL A 84 -4.985 -2.829 -2.755 1.00 74.31 C ATOM 1366 C VAL A 84 -6.179 -1.859 -2.668 1.00 64.31 C ATOM 1367 O VAL A 84 -6.483 -1.157 -3.641 1.00 71.24 O ATOM 1368 CB VAL A 84 -3.791 -2.266 -1.898 1.00 64.31 C ATOM 1369 CG1 VAL A 84 -2.530 -3.149 -2.015 1.00 73.32 C ATOM 1370 CG2 VAL A 84 -3.460 -0.795 -2.245 1.00 60.21 C ATOM 0 H VAL A 84 -4.171 -2.185 -4.584 1.00 11.11 H new ATOM 0 HA VAL A 84 -5.268 -3.802 -2.354 1.00 74.31 H new ATOM 0 HB VAL A 84 -4.125 -2.292 -0.861 1.00 64.31 H new ATOM 0 HG11 VAL A 84 -1.731 -2.724 -1.408 1.00 73.32 H new ATOM 0 HG12 VAL A 84 -2.757 -4.155 -1.663 1.00 73.32 H new ATOM 0 HG13 VAL A 84 -2.211 -3.192 -3.056 1.00 73.32 H new ATOM 0 HG21 VAL A 84 -2.630 -0.453 -1.627 1.00 60.21 H new ATOM 0 HG22 VAL A 84 -3.183 -0.723 -3.297 1.00 60.21 H new ATOM 0 HG23 VAL A 84 -4.334 -0.171 -2.056 1.00 60.21 H new ATOM 1380 N GLU A 85 -6.843 -1.819 -1.500 1.00 43.41 N ATOM 1381 CA GLU A 85 -7.892 -0.823 -1.192 1.00 30.43 C ATOM 1382 C GLU A 85 -7.575 -0.159 0.157 1.00 72.11 C ATOM 1383 O GLU A 85 -7.655 -0.800 1.211 1.00 50.13 O ATOM 1384 CB GLU A 85 -9.310 -1.465 -1.188 1.00 73.02 C ATOM 1385 CG GLU A 85 -9.746 -1.997 -2.568 1.00 44.54 C ATOM 1386 CD GLU A 85 -11.239 -2.334 -2.659 1.00 41.10 C ATOM 1387 OE1 GLU A 85 -12.038 -1.431 -3.004 1.00 54.01 O ATOM 1388 OE2 GLU A 85 -11.628 -3.482 -2.373 1.00 14.54 O ATOM 0 H GLU A 85 -6.669 -2.476 -0.739 1.00 43.41 H new ATOM 0 HA GLU A 85 -7.897 -0.063 -1.973 1.00 30.43 H new ATOM 0 HB2 GLU A 85 -9.328 -2.284 -0.469 1.00 73.02 H new ATOM 0 HB3 GLU A 85 -10.034 -0.726 -0.847 1.00 73.02 H new ATOM 0 HG2 GLU A 85 -9.504 -1.253 -3.327 1.00 44.54 H new ATOM 0 HG3 GLU A 85 -9.167 -2.890 -2.802 1.00 44.54 H new ATOM 1395 N ILE A 86 -7.200 1.126 0.095 1.00 40.01 N ATOM 1396 CA ILE A 86 -6.830 1.930 1.261 1.00 25.04 C ATOM 1397 C ILE A 86 -8.111 2.503 1.906 1.00 14.54 C ATOM 1398 O ILE A 86 -8.806 3.292 1.279 1.00 41.02 O ATOM 1399 CB ILE A 86 -5.858 3.105 0.835 1.00 43.41 C ATOM 1400 CG1 ILE A 86 -4.620 2.551 0.048 1.00 14.55 C ATOM 1401 CG2 ILE A 86 -5.406 3.919 2.071 1.00 43.23 C ATOM 1402 CD1 ILE A 86 -3.720 3.611 -0.571 1.00 34.32 C ATOM 0 H ILE A 86 -7.145 1.642 -0.783 1.00 40.01 H new ATOM 0 HA ILE A 86 -6.308 1.302 1.983 1.00 25.04 H new ATOM 0 HB ILE A 86 -6.407 3.773 0.171 1.00 43.41 H new ATOM 0 HG12 ILE A 86 -4.023 1.940 0.725 1.00 14.55 H new ATOM 0 HG13 ILE A 86 -4.978 1.893 -0.744 1.00 14.55 H new ATOM 0 HG21 ILE A 86 -4.739 4.721 1.755 1.00 43.23 H new ATOM 0 HG22 ILE A 86 -6.279 4.347 2.564 1.00 43.23 H new ATOM 0 HG23 ILE A 86 -4.881 3.264 2.766 1.00 43.23 H new ATOM 0 HD11 ILE A 86 -2.894 3.128 -1.092 1.00 34.32 H new ATOM 0 HD12 ILE A 86 -4.295 4.209 -1.278 1.00 34.32 H new ATOM 0 HD13 ILE A 86 -3.326 4.257 0.214 1.00 34.32 H new ATOM 1414 N VAL A 87 -8.430 2.052 3.123 1.00 42.12 N ATOM 1415 CA VAL A 87 -9.572 2.543 3.922 1.00 21.43 C ATOM 1416 C VAL A 87 -9.143 3.768 4.761 1.00 23.10 C ATOM 1417 O VAL A 87 -8.004 3.810 5.220 1.00 30.10 O ATOM 1418 CB VAL A 87 -10.085 1.408 4.880 1.00 4.05 C ATOM 1419 CG1 VAL A 87 -11.372 1.824 5.616 1.00 51.23 C ATOM 1420 CG2 VAL A 87 -10.288 0.083 4.116 1.00 1.41 C ATOM 0 H VAL A 87 -7.896 1.322 3.595 1.00 42.12 H new ATOM 0 HA VAL A 87 -10.374 2.833 3.244 1.00 21.43 H new ATOM 0 HB VAL A 87 -9.314 1.247 5.634 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -11.696 1.013 6.269 1.00 51.23 H new ATOM 0 HG12 VAL A 87 -11.178 2.715 6.213 1.00 51.23 H new ATOM 0 HG13 VAL A 87 -12.154 2.038 4.888 1.00 51.23 H new ATOM 0 HG21 VAL A 87 -10.643 -0.683 4.805 1.00 1.41 H new ATOM 0 HG22 VAL A 87 -11.023 0.228 3.324 1.00 1.41 H new ATOM 0 HG23 VAL A 87 -9.341 -0.233 3.678 1.00 1.41 H new ATOM 1430 N LEU A 88 -10.074 4.723 4.971 1.00 72.44 N ATOM 1431 CA LEU A 88 -9.829 5.972 5.737 1.00 72.44 C ATOM 1432 C LEU A 88 -9.338 5.653 7.167 1.00 44.23 C ATOM 1433 O LEU A 88 -8.351 6.222 7.637 1.00 73.20 O ATOM 1434 CB LEU A 88 -11.149 6.813 5.760 1.00 75.11 C ATOM 1435 CG LEU A 88 -11.121 8.272 6.369 1.00 0.14 C ATOM 1436 CD1 LEU A 88 -11.116 8.311 7.924 1.00 15.31 C ATOM 1437 CD2 LEU A 88 -9.948 9.095 5.790 1.00 12.42 C ATOM 0 H LEU A 88 -11.026 4.652 4.612 1.00 72.44 H new ATOM 0 HA LEU A 88 -9.043 6.552 5.254 1.00 72.44 H new ATOM 0 HB2 LEU A 88 -11.506 6.892 4.733 1.00 75.11 H new ATOM 0 HB3 LEU A 88 -11.894 6.240 6.313 1.00 75.11 H new ATOM 0 HG LEU A 88 -12.061 8.733 6.066 1.00 0.14 H new ATOM 0 HD11 LEU A 88 -11.096 9.347 8.262 1.00 15.31 H new ATOM 0 HD12 LEU A 88 -12.014 7.823 8.303 1.00 15.31 H new ATOM 0 HD13 LEU A 88 -10.234 7.791 8.298 1.00 15.31 H new ATOM 0 HD21 LEU A 88 -9.954 10.094 6.227 1.00 12.42 H new ATOM 0 HD22 LEU A 88 -9.005 8.601 6.026 1.00 12.42 H new ATOM 0 HD23 LEU A 88 -10.056 9.171 4.708 1.00 12.42 H new ATOM 1449 N GLU A 89 -10.062 4.740 7.833 1.00 44.35 N ATOM 1450 CA GLU A 89 -9.779 4.307 9.219 1.00 35.42 C ATOM 1451 C GLU A 89 -8.730 3.181 9.227 1.00 72.23 C ATOM 1452 O GLU A 89 -8.209 2.815 8.170 1.00 54.33 O ATOM 1453 CB GLU A 89 -11.103 3.857 9.891 1.00 60.12 C ATOM 1454 CG GLU A 89 -11.834 2.697 9.180 1.00 45.24 C ATOM 1455 CD GLU A 89 -13.241 2.423 9.731 1.00 12.33 C ATOM 1456 OE1 GLU A 89 -13.371 1.644 10.700 1.00 1.23 O ATOM 1457 OE2 GLU A 89 -14.222 2.998 9.197 1.00 54.41 O ATOM 0 H GLU A 89 -10.871 4.273 7.423 1.00 44.35 H new ATOM 0 HA GLU A 89 -9.365 5.139 9.788 1.00 35.42 H new ATOM 0 HB2 GLU A 89 -10.889 3.557 10.917 1.00 60.12 H new ATOM 0 HB3 GLU A 89 -11.776 4.713 9.943 1.00 60.12 H new ATOM 0 HG2 GLU A 89 -11.908 2.924 8.116 1.00 45.24 H new ATOM 0 HG3 GLU A 89 -11.235 1.791 9.272 1.00 45.24 H new ATOM 1464 N HIS A 90 -8.407 2.646 10.420 1.00 61.42 N ATOM 1465 CA HIS A 90 -7.498 1.494 10.551 1.00 62.34 C ATOM 1466 C HIS A 90 -8.024 0.496 11.590 1.00 53.24 C ATOM 1467 O HIS A 90 -8.478 -0.593 11.222 1.00 4.10 O ATOM 1468 CB HIS A 90 -6.018 1.936 10.809 1.00 14.53 C ATOM 1469 CG HIS A 90 -5.796 2.812 12.020 1.00 32.33 C ATOM 1470 ND1 HIS A 90 -6.220 4.122 12.079 1.00 71.41 N ATOM 1471 CD2 HIS A 90 -5.177 2.570 13.209 1.00 0.01 C ATOM 1472 CE1 HIS A 90 -5.885 4.642 13.243 1.00 12.12 C ATOM 1473 NE2 HIS A 90 -5.256 3.723 13.943 1.00 1.24 N ATOM 0 H HIS A 90 -8.764 2.996 11.309 1.00 61.42 H new ATOM 0 HA HIS A 90 -7.479 0.970 9.596 1.00 62.34 H new ATOM 0 HB2 HIS A 90 -5.404 1.041 10.914 1.00 14.53 H new ATOM 0 HB3 HIS A 90 -5.659 2.468 9.928 1.00 14.53 H new ATOM 0 HD2 HIS A 90 -4.712 1.644 13.515 1.00 0.01 H new ATOM 0 HE1 HIS A 90 -6.092 5.651 13.567 1.00 12.12 H new ATOM 0 HE2 HIS A 90 -4.885 3.850 14.885 1.00 1.24 H new ATOM 1482 N HIS A 91 -8.024 0.888 12.869 1.00 53.41 N ATOM 1483 CA HIS A 91 -8.465 0.031 13.977 1.00 74.21 C ATOM 1484 C HIS A 91 -8.511 0.891 15.261 1.00 24.01 C ATOM 1485 O HIS A 91 -9.610 1.305 15.678 1.00 45.01 O ATOM 1486 CB HIS A 91 -7.538 -1.213 14.162 1.00 71.12 C ATOM 1487 CG HIS A 91 -8.102 -2.252 15.101 1.00 43.10 C ATOM 1488 ND1 HIS A 91 -7.825 -2.285 16.449 1.00 73.42 N ATOM 1489 CD2 HIS A 91 -8.940 -3.297 14.873 1.00 4.32 C ATOM 1490 CE1 HIS A 91 -8.468 -3.293 17.008 1.00 12.33 C ATOM 1491 NE2 HIS A 91 -9.150 -3.921 16.074 1.00 24.44 N ATOM 0 H HIS A 91 -7.716 1.814 13.167 1.00 53.41 H new ATOM 0 HA HIS A 91 -9.456 -0.363 13.754 1.00 74.21 H new ATOM 0 HB2 HIS A 91 -7.361 -1.672 13.189 1.00 71.12 H new ATOM 0 HB3 HIS A 91 -6.570 -0.882 14.539 1.00 71.12 H new ATOM 0 HD2 HIS A 91 -9.362 -3.583 13.921 1.00 4.32 H new ATOM 0 HE1 HIS A 91 -8.439 -3.558 18.055 1.00 12.33 H new ATOM 0 HE2 HIS A 91 -9.740 -4.740 16.221 1.00 24.44 H new TER 1500 HIS A 91