USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0134 K(o=-0.013,f=-3.6!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 176:sc= -0.89 (180deg=-1.03) USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.0746 (180deg=-1.17) USER MOD Single : A 21 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0.0103 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00886 USER MOD Single : A 35 SER OG : rot -31:sc= 0.533 USER MOD Single : A 36 SER OG : rot 180:sc= -0.3 USER MOD Single : A 38 SER OG : rot -69:sc= 1.08 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 46 ASN : amide:sc= -3.4! C(o=-3.4!,f=-4.5!) USER MOD Single : A 48 SER OG : rot -90:sc= -0.0569 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0226 USER MOD Single : A 51 SER OG : rot 180:sc= -0.756 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 129:sc= -0.278 (180deg=-1.12) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 40:sc= -1.38! USER MOD Single : A 68 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 69 SER OG : rot -19:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -20.943 -18.026 10.471 1.00 0.00 N ATOM 2 CA ILE A -2 -19.526 -18.261 10.860 1.00 0.00 C ATOM 3 C ILE A -2 -18.616 -17.172 10.302 1.00 0.00 C ATOM 4 O ILE A -2 -19.008 -16.410 9.418 1.00 0.00 O ATOM 5 CB ILE A -2 -19.007 -19.643 10.386 1.00 0.00 C ATOM 6 CG1 ILE A -2 -19.892 -20.229 9.277 1.00 0.00 C ATOM 7 CG2 ILE A -2 -18.921 -20.609 11.561 1.00 0.00 C ATOM 8 CD1 ILE A -2 -19.632 -19.631 7.911 1.00 0.00 C ATOM 0 H1 ILE A -2 -21.530 -18.816 10.806 1.00 0.00 H new ATOM 0 H2 ILE A -2 -21.278 -17.140 10.900 1.00 0.00 H new ATOM 0 H3 ILE A -2 -21.012 -17.958 9.436 1.00 0.00 H new ATOM 0 HA ILE A -2 -19.502 -18.238 11.949 1.00 0.00 H new ATOM 0 HB ILE A -2 -18.009 -19.498 9.972 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -19.733 -21.306 9.229 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -20.938 -20.073 9.539 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -18.555 -21.575 11.212 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -18.237 -20.211 12.310 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -19.910 -20.734 12.003 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -20.294 -20.094 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -19.819 -18.558 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -18.595 -19.810 7.627 1.00 0.00 H new ATOM 22 N SER A -1 -17.398 -17.099 10.834 1.00 0.00 N ATOM 23 CA SER A -1 -16.428 -16.102 10.398 1.00 0.00 C ATOM 24 C SER A -1 -15.012 -16.670 10.437 1.00 0.00 C ATOM 25 O SER A -1 -14.239 -16.372 11.348 1.00 0.00 O ATOM 26 CB SER A -1 -16.515 -14.859 11.288 1.00 0.00 C ATOM 27 OG SER A -1 -17.076 -15.174 12.552 1.00 0.00 O ATOM 0 H SER A -1 -17.061 -17.721 11.569 1.00 0.00 H new ATOM 0 HA SER A -1 -16.661 -15.825 9.370 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.520 -14.435 11.424 1.00 0.00 H new ATOM 0 HB3 SER A -1 -17.122 -14.098 10.797 1.00 0.00 H new ATOM 0 HG SER A -1 -17.119 -14.364 13.102 1.00 0.00 H new ATOM 33 N SER A 2 -14.677 -17.492 9.446 1.00 0.00 N ATOM 34 CA SER A 2 -13.352 -18.100 9.381 1.00 0.00 C ATOM 35 C SER A 2 -12.850 -18.191 7.939 1.00 0.00 C ATOM 36 O SER A 2 -13.069 -19.193 7.259 1.00 0.00 O ATOM 37 CB SER A 2 -13.379 -19.494 10.013 1.00 0.00 C ATOM 38 OG SER A 2 -12.410 -19.609 11.041 1.00 0.00 O ATOM 0 H SER A 2 -15.301 -17.751 8.682 1.00 0.00 H new ATOM 0 HA SER A 2 -12.665 -17.464 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.370 -19.693 10.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.192 -20.247 9.247 1.00 0.00 H new ATOM 0 HG SER A 2 -12.450 -20.508 11.429 1.00 0.00 H new ATOM 44 N PRO A 3 -12.159 -17.143 7.455 1.00 0.00 N ATOM 45 CA PRO A 3 -11.617 -17.101 6.098 1.00 0.00 C ATOM 46 C PRO A 3 -10.298 -17.866 5.986 1.00 0.00 C ATOM 47 O PRO A 3 -9.604 -18.068 6.981 1.00 0.00 O ATOM 48 CB PRO A 3 -11.386 -15.600 5.841 1.00 0.00 C ATOM 49 CG PRO A 3 -11.815 -14.888 7.090 1.00 0.00 C ATOM 50 CD PRO A 3 -11.842 -15.915 8.185 1.00 0.00 C ATOM 0 HA PRO A 3 -12.289 -17.567 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.337 -15.400 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.963 -15.259 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.123 -14.082 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.798 -14.436 6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.884 -15.985 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.594 -15.685 8.939 1.00 0.00 H new ATOM 58 N LYS A 4 -9.957 -18.286 4.770 1.00 0.00 N ATOM 59 CA LYS A 4 -8.718 -19.024 4.539 1.00 0.00 C ATOM 60 C LYS A 4 -7.545 -18.065 4.343 1.00 0.00 C ATOM 61 O LYS A 4 -6.749 -17.852 5.258 1.00 0.00 O ATOM 62 CB LYS A 4 -8.859 -19.950 3.324 1.00 0.00 C ATOM 63 CG LYS A 4 -7.571 -20.670 2.949 1.00 0.00 C ATOM 64 CD LYS A 4 -7.085 -21.574 4.069 1.00 0.00 C ATOM 65 CE LYS A 4 -7.821 -22.902 4.074 1.00 0.00 C ATOM 66 NZ LYS A 4 -7.442 -23.739 5.246 1.00 0.00 N ATOM 0 H LYS A 4 -10.518 -18.129 3.933 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.519 -19.635 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.632 -20.691 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.199 -19.364 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.734 -21.262 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.800 -19.937 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.015 -21.751 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.227 -21.075 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.896 -22.722 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.601 -23.443 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.965 -24.637 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.420 -23.932 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.676 -23.233 6.124 1.00 0.00 H new ATOM 80 N GLN A 5 -7.444 -17.488 3.148 1.00 0.00 N ATOM 81 CA GLN A 5 -6.375 -16.552 2.836 1.00 0.00 C ATOM 82 C GLN A 5 -6.956 -15.173 2.541 1.00 0.00 C ATOM 83 O GLN A 5 -8.138 -14.927 2.782 1.00 0.00 O ATOM 84 CB GLN A 5 -5.547 -17.044 1.639 1.00 0.00 C ATOM 85 CG GLN A 5 -6.228 -18.100 0.783 1.00 0.00 C ATOM 86 CD GLN A 5 -7.080 -17.495 -0.315 1.00 0.00 C ATOM 87 OE1 GLN A 5 -7.740 -16.475 -0.114 1.00 0.00 O ATOM 88 NE2 GLN A 5 -7.070 -18.122 -1.486 1.00 0.00 N ATOM 0 H GLN A 5 -8.094 -17.655 2.380 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.716 -16.484 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.301 -16.189 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.605 -17.449 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.471 -18.746 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.852 -18.730 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.508 -18.965 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.624 -17.761 -2.263 1.00 0.00 H new ATOM 97 N GLU A 6 -6.130 -14.277 2.014 1.00 0.00 N ATOM 98 CA GLU A 6 -6.579 -12.941 1.686 1.00 0.00 C ATOM 99 C GLU A 6 -5.808 -12.371 0.501 1.00 0.00 C ATOM 100 O GLU A 6 -4.878 -11.583 0.676 1.00 0.00 O ATOM 101 CB GLU A 6 -6.450 -12.010 2.895 1.00 0.00 C ATOM 102 CG GLU A 6 -5.231 -12.292 3.760 1.00 0.00 C ATOM 103 CD GLU A 6 -5.236 -11.498 5.052 1.00 0.00 C ATOM 104 OE1 GLU A 6 -5.674 -10.328 5.028 1.00 0.00 O ATOM 105 OE2 GLU A 6 -4.802 -12.045 6.088 1.00 0.00 O ATOM 0 H GLU A 6 -5.148 -14.457 1.807 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.630 -13.010 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.404 -10.979 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.347 -12.099 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.193 -13.356 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.328 -12.056 3.197 1.00 0.00 H new ATOM 112 N GLU A 7 -6.206 -12.763 -0.709 1.00 0.00 N ATOM 113 CA GLU A 7 -5.562 -12.275 -1.915 1.00 0.00 C ATOM 114 C GLU A 7 -5.644 -10.754 -1.967 1.00 0.00 C ATOM 115 O GLU A 7 -6.120 -10.137 -1.021 1.00 0.00 O ATOM 116 CB GLU A 7 -6.214 -12.889 -3.159 1.00 0.00 C ATOM 117 CG GLU A 7 -5.235 -13.645 -4.044 1.00 0.00 C ATOM 118 CD GLU A 7 -5.903 -14.270 -5.253 1.00 0.00 C ATOM 119 OE1 GLU A 7 -6.783 -13.615 -5.850 1.00 0.00 O ATOM 120 OE2 GLU A 7 -5.546 -15.414 -5.603 1.00 0.00 O ATOM 0 H GLU A 7 -6.971 -13.417 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.513 -12.572 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.008 -13.567 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.683 -12.097 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.452 -12.964 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.750 -14.425 -3.458 1.00 0.00 H new ATOM 127 N TYR A 8 -5.188 -10.156 -3.074 1.00 0.00 N ATOM 128 CA TYR A 8 -5.207 -8.693 -3.245 1.00 0.00 C ATOM 129 C TYR A 8 -6.164 -8.011 -2.258 1.00 0.00 C ATOM 130 O TYR A 8 -7.338 -8.369 -2.170 1.00 0.00 O ATOM 131 CB TYR A 8 -5.569 -8.325 -4.698 1.00 0.00 C ATOM 132 CG TYR A 8 -7.032 -7.990 -4.931 1.00 0.00 C ATOM 133 CD1 TYR A 8 -7.593 -6.826 -4.418 1.00 0.00 C ATOM 134 CD2 TYR A 8 -7.848 -8.837 -5.672 1.00 0.00 C ATOM 135 CE1 TYR A 8 -8.922 -6.518 -4.632 1.00 0.00 C ATOM 136 CE2 TYR A 8 -9.178 -8.534 -5.892 1.00 0.00 C ATOM 137 CZ TYR A 8 -9.709 -7.374 -5.371 1.00 0.00 C ATOM 138 OH TYR A 8 -11.033 -7.070 -5.589 1.00 0.00 O ATOM 0 H TYR A 8 -4.799 -10.663 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.204 -8.325 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.964 -7.471 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.295 -9.157 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.978 -6.150 -3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.436 -9.747 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.342 -5.611 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.799 -9.203 -6.470 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.446 -7.776 -6.129 1.00 0.00 H new ATOM 148 N GLU A 9 -5.650 -7.033 -1.517 1.00 0.00 N ATOM 149 CA GLU A 9 -6.449 -6.310 -0.536 1.00 0.00 C ATOM 150 C GLU A 9 -5.695 -5.092 -0.022 1.00 0.00 C ATOM 151 O GLU A 9 -4.476 -5.126 0.113 1.00 0.00 O ATOM 152 CB GLU A 9 -6.820 -7.221 0.645 1.00 0.00 C ATOM 153 CG GLU A 9 -5.839 -8.364 0.891 1.00 0.00 C ATOM 154 CD GLU A 9 -5.016 -8.185 2.152 1.00 0.00 C ATOM 155 OE1 GLU A 9 -4.410 -7.109 2.319 1.00 0.00 O ATOM 156 OE2 GLU A 9 -4.977 -9.127 2.971 1.00 0.00 O ATOM 0 H GLU A 9 -4.680 -6.723 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.364 -5.981 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.887 -6.615 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.811 -7.640 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.392 -9.301 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.168 -8.449 0.036 1.00 0.00 H new ATOM 163 N VAL A 10 -6.434 -4.020 0.267 1.00 0.00 N ATOM 164 CA VAL A 10 -5.842 -2.778 0.781 1.00 0.00 C ATOM 165 C VAL A 10 -4.984 -2.092 -0.283 1.00 0.00 C ATOM 166 O VAL A 10 -4.312 -2.760 -1.067 1.00 0.00 O ATOM 167 CB VAL A 10 -4.985 -3.039 2.044 1.00 0.00 C ATOM 168 CG1 VAL A 10 -5.534 -4.215 2.827 1.00 0.00 C ATOM 169 CG2 VAL A 10 -3.512 -3.257 1.707 1.00 0.00 C ATOM 0 H VAL A 10 -7.447 -3.984 0.154 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.669 -2.120 1.048 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.044 -2.144 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.919 -4.383 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.558 -4.002 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.521 -5.107 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.951 -3.436 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.413 -4.119 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.118 -2.372 1.208 1.00 0.00 H new ATOM 179 N GLU A 11 -4.998 -0.759 -0.300 1.00 0.00 N ATOM 180 CA GLU A 11 -4.199 -0.004 -1.268 1.00 0.00 C ATOM 181 C GLU A 11 -2.748 -0.479 -1.242 1.00 0.00 C ATOM 182 O GLU A 11 -1.936 0.015 -0.460 1.00 0.00 O ATOM 183 CB GLU A 11 -4.259 1.508 -0.994 1.00 0.00 C ATOM 184 CG GLU A 11 -4.642 1.879 0.431 1.00 0.00 C ATOM 185 CD GLU A 11 -6.119 2.193 0.573 1.00 0.00 C ATOM 186 OE1 GLU A 11 -6.946 1.363 0.141 1.00 0.00 O ATOM 187 OE2 GLU A 11 -6.449 3.270 1.113 1.00 0.00 O ATOM 0 H GLU A 11 -5.548 -0.184 0.338 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.621 -0.185 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.286 1.944 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.977 1.960 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.383 1.058 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.058 2.743 0.747 1.00 0.00 H new ATOM 194 N ARG A 12 -2.443 -1.455 -2.098 1.00 0.00 N ATOM 195 CA ARG A 12 -1.102 -2.037 -2.190 1.00 0.00 C ATOM 196 C ARG A 12 -0.012 -0.976 -1.983 1.00 0.00 C ATOM 197 O ARG A 12 0.210 -0.113 -2.831 1.00 0.00 O ATOM 198 CB ARG A 12 -0.960 -2.762 -3.535 1.00 0.00 C ATOM 199 CG ARG A 12 -2.081 -3.768 -3.781 1.00 0.00 C ATOM 200 CD ARG A 12 -2.760 -3.541 -5.124 1.00 0.00 C ATOM 201 NE ARG A 12 -2.779 -4.754 -5.938 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.866 -5.493 -6.157 1.00 0.00 C ATOM 203 NH1 ARG A 12 -5.034 -5.158 -5.622 1.00 0.00 N ATOM 204 NH2 ARG A 12 -3.782 -6.577 -6.915 1.00 0.00 N ATOM 0 H ARG A 12 -3.116 -1.864 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.969 -2.764 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.953 -2.028 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.000 -3.278 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.676 -4.779 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.819 -3.692 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.782 -3.198 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.240 -2.750 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.904 -5.055 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.107 -4.327 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.859 -5.732 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.888 -6.843 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.611 -7.146 -7.085 1.00 0.00 H new ATOM 218 N ILE A 13 0.622 -1.038 -0.808 1.00 0.00 N ATOM 219 CA ILE A 13 1.653 -0.079 -0.406 1.00 0.00 C ATOM 220 C ILE A 13 1.094 1.344 -0.409 1.00 0.00 C ATOM 221 O ILE A 13 0.783 1.891 -1.466 1.00 0.00 O ATOM 222 CB ILE A 13 2.914 -0.085 -1.298 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.364 -1.485 -1.699 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.048 0.621 -0.565 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.776 -2.356 -0.535 1.00 0.00 C ATOM 0 H ILE A 13 0.434 -1.756 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 13 1.949 -0.397 0.593 1.00 0.00 H new ATOM 0 HB ILE A 13 2.656 0.438 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.553 -1.976 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.202 -1.402 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.941 0.620 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.757 1.649 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.258 0.100 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.082 -3.335 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.609 -1.890 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.935 -2.473 0.148 1.00 0.00 H new ATOM 237 N VAL A 14 0.964 1.941 0.774 1.00 0.00 N ATOM 238 CA VAL A 14 0.441 3.306 0.882 1.00 0.00 C ATOM 239 C VAL A 14 1.569 4.324 1.049 1.00 0.00 C ATOM 240 O VAL A 14 1.406 5.496 0.709 1.00 0.00 O ATOM 241 CB VAL A 14 -0.578 3.456 2.043 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.194 2.585 3.209 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.702 4.897 2.510 1.00 0.00 C ATOM 0 H VAL A 14 1.210 1.508 1.664 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.082 3.507 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.545 3.138 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.923 2.707 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.174 1.542 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.793 2.874 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.426 4.955 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.268 5.250 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.037 5.521 1.681 1.00 0.00 H new ATOM 253 N ASP A 15 2.714 3.880 1.562 1.00 0.00 N ATOM 254 CA ASP A 15 3.853 4.779 1.754 1.00 0.00 C ATOM 255 C ASP A 15 5.122 3.972 1.932 1.00 0.00 C ATOM 256 O ASP A 15 5.066 2.755 2.022 1.00 0.00 O ATOM 257 CB ASP A 15 3.643 5.691 2.960 1.00 0.00 C ATOM 258 CG ASP A 15 4.405 6.994 2.830 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.566 7.476 1.689 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.843 7.533 3.868 1.00 0.00 O ATOM 0 H ASP A 15 2.879 2.915 1.850 1.00 0.00 H new ATOM 0 HA ASP A 15 3.942 5.407 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.580 5.903 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.962 5.174 3.865 1.00 0.00 H new ATOM 265 N GLU A 16 6.273 4.627 1.910 1.00 0.00 N ATOM 266 CA GLU A 16 7.525 3.899 2.016 1.00 0.00 C ATOM 267 C GLU A 16 8.626 4.714 2.698 1.00 0.00 C ATOM 268 O GLU A 16 8.743 5.925 2.509 1.00 0.00 O ATOM 269 CB GLU A 16 7.967 3.452 0.617 1.00 0.00 C ATOM 270 CG GLU A 16 7.214 4.156 -0.500 1.00 0.00 C ATOM 271 CD GLU A 16 7.381 5.665 -0.464 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.529 6.131 -0.302 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.365 6.379 -0.600 1.00 0.00 O ATOM 0 H GLU A 16 6.365 5.639 1.822 1.00 0.00 H new ATOM 0 HA GLU A 16 7.354 3.028 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.034 3.640 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.821 2.376 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.564 3.779 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.154 3.911 -0.428 1.00 0.00 H new ATOM 280 N LYS A 17 9.453 4.003 3.458 1.00 0.00 N ATOM 281 CA LYS A 17 10.591 4.580 4.165 1.00 0.00 C ATOM 282 C LYS A 17 11.887 3.967 3.663 1.00 0.00 C ATOM 283 O LYS A 17 12.092 2.749 3.778 1.00 0.00 O ATOM 284 CB LYS A 17 10.525 4.305 5.659 1.00 0.00 C ATOM 285 CG LYS A 17 10.144 5.501 6.514 1.00 0.00 C ATOM 286 CD LYS A 17 8.936 5.214 7.383 1.00 0.00 C ATOM 287 CE LYS A 17 9.079 3.920 8.170 1.00 0.00 C ATOM 288 NZ LYS A 17 9.828 4.120 9.443 1.00 0.00 N ATOM 0 H LYS A 17 9.351 2.998 3.602 1.00 0.00 H new ATOM 0 HA LYS A 17 10.559 5.654 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.804 3.507 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.496 3.936 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.988 5.779 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.933 6.355 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.786 6.042 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.046 5.158 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.090 3.519 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.594 3.179 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.583 3.409 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.247 5.072 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.177 4.019 10.248 1.00 0.00 H new ATOM 302 N LEU A 18 12.762 4.803 3.139 1.00 0.00 N ATOM 303 CA LEU A 18 14.051 4.352 2.640 1.00 0.00 C ATOM 304 C LEU A 18 15.175 4.916 3.496 1.00 0.00 C ATOM 305 O LEU A 18 14.965 5.828 4.295 1.00 0.00 O ATOM 306 CB LEU A 18 14.262 4.783 1.186 1.00 0.00 C ATOM 307 CG LEU A 18 13.000 4.839 0.322 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.357 5.196 -1.115 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.258 3.512 0.380 1.00 0.00 C ATOM 0 H LEU A 18 12.604 5.806 3.046 1.00 0.00 H new ATOM 0 HA LEU A 18 14.062 3.263 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.727 5.769 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.969 4.095 0.721 1.00 0.00 H new ATOM 0 HG LEU A 18 12.343 5.615 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.449 5.232 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.846 6.170 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.032 4.442 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.363 3.568 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.906 2.717 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.973 3.299 1.410 1.00 0.00 H new ATOM 321 N ASP A 19 16.367 4.366 3.321 1.00 0.00 N ATOM 322 CA ASP A 19 17.532 4.809 4.078 1.00 0.00 C ATOM 323 C ASP A 19 18.424 5.725 3.232 1.00 0.00 C ATOM 324 O ASP A 19 18.026 6.178 2.160 1.00 0.00 O ATOM 325 CB ASP A 19 18.315 3.586 4.573 1.00 0.00 C ATOM 326 CG ASP A 19 18.937 2.795 3.438 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.688 3.144 2.264 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.671 1.826 3.722 1.00 0.00 O ATOM 0 H ASP A 19 16.555 3.611 2.661 1.00 0.00 H new ATOM 0 HA ASP A 19 17.195 5.388 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.099 3.913 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.648 2.937 5.141 1.00 0.00 H new ATOM 333 N ARG A 20 19.635 5.986 3.723 1.00 0.00 N ATOM 334 CA ARG A 20 20.594 6.845 3.017 1.00 0.00 C ATOM 335 C ARG A 20 21.241 6.114 1.835 1.00 0.00 C ATOM 336 O ARG A 20 22.024 6.694 1.083 1.00 0.00 O ATOM 337 CB ARG A 20 21.681 7.341 3.979 1.00 0.00 C ATOM 338 CG ARG A 20 22.186 6.278 4.945 1.00 0.00 C ATOM 339 CD ARG A 20 21.701 6.540 6.363 1.00 0.00 C ATOM 340 NE ARG A 20 22.245 5.577 7.319 1.00 0.00 N ATOM 341 CZ ARG A 20 23.500 5.597 7.757 1.00 0.00 C ATOM 342 NH1 ARG A 20 24.349 6.519 7.318 1.00 0.00 N ATOM 343 NH2 ARG A 20 23.910 4.691 8.635 1.00 0.00 N ATOM 0 H ARG A 20 19.979 5.615 4.609 1.00 0.00 H new ATOM 0 HA ARG A 20 20.041 7.700 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.522 7.717 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.289 8.181 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.845 5.296 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.276 6.258 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.987 7.548 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.612 6.497 6.387 1.00 0.00 H new ATOM 0 HE ARG A 20 21.625 4.847 7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.039 7.217 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.311 6.530 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.262 3.979 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.873 4.706 8.971 1.00 0.00 H new ATOM 357 N ASN A 21 20.910 4.837 1.692 1.00 0.00 N ATOM 358 CA ASN A 21 21.447 4.011 0.624 1.00 0.00 C ATOM 359 C ASN A 21 20.464 3.916 -0.534 1.00 0.00 C ATOM 360 O ASN A 21 20.803 3.433 -1.615 1.00 0.00 O ATOM 361 CB ASN A 21 21.740 2.610 1.156 1.00 0.00 C ATOM 362 CG ASN A 21 23.180 2.426 1.572 1.00 0.00 C ATOM 363 OD1 ASN A 21 24.095 2.989 0.968 1.00 0.00 O ATOM 364 ND2 ASN A 21 23.386 1.636 2.616 1.00 0.00 N ATOM 0 H ASN A 21 20.264 4.348 2.312 1.00 0.00 H new ATOM 0 HA ASN A 21 22.367 4.471 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.092 2.409 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.493 1.877 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.335 1.472 2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.596 1.192 3.083 1.00 0.00 H new ATOM 371 N GLY A 22 19.238 4.360 -0.293 1.00 0.00 N ATOM 372 CA GLY A 22 18.218 4.291 -1.308 1.00 0.00 C ATOM 373 C GLY A 22 17.523 2.945 -1.288 1.00 0.00 C ATOM 374 O GLY A 22 16.748 2.611 -2.186 1.00 0.00 O ATOM 0 H GLY A 22 18.936 4.767 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.487 5.084 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.663 4.460 -2.288 1.00 0.00 H new ATOM 378 N ALA A 23 17.807 2.181 -0.237 1.00 0.00 N ATOM 379 CA ALA A 23 17.234 0.871 -0.040 1.00 0.00 C ATOM 380 C ALA A 23 15.986 0.991 0.811 1.00 0.00 C ATOM 381 O ALA A 23 15.900 1.854 1.683 1.00 0.00 O ATOM 382 CB ALA A 23 18.253 -0.045 0.618 1.00 0.00 C ATOM 0 H ALA A 23 18.448 2.465 0.504 1.00 0.00 H new ATOM 0 HA ALA A 23 16.960 0.440 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.814 -1.032 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.132 -0.130 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.544 0.369 1.583 1.00 0.00 H new ATOM 388 N VAL A 24 15.016 0.145 0.544 1.00 0.00 N ATOM 389 CA VAL A 24 13.760 0.184 1.271 1.00 0.00 C ATOM 390 C VAL A 24 13.844 -0.567 2.594 1.00 0.00 C ATOM 391 O VAL A 24 14.017 -1.783 2.622 1.00 0.00 O ATOM 392 CB VAL A 24 12.634 -0.397 0.410 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.284 -0.114 1.044 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.720 0.177 -0.999 1.00 0.00 C ATOM 0 H VAL A 24 15.070 -0.580 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 24 13.545 1.228 1.497 1.00 0.00 H new ATOM 0 HB VAL A 24 12.746 -1.479 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.494 -0.533 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.244 -0.569 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.143 0.963 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.918 -0.237 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.621 1.262 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.683 -0.082 -1.439 1.00 0.00 H new ATOM 404 N LYS A 25 13.745 0.176 3.694 1.00 0.00 N ATOM 405 CA LYS A 25 13.831 -0.414 5.023 1.00 0.00 C ATOM 406 C LYS A 25 12.451 -0.693 5.615 1.00 0.00 C ATOM 407 O LYS A 25 12.296 -1.603 6.431 1.00 0.00 O ATOM 408 CB LYS A 25 14.624 0.499 5.963 1.00 0.00 C ATOM 409 CG LYS A 25 16.099 0.614 5.602 1.00 0.00 C ATOM 410 CD LYS A 25 16.848 -0.680 5.885 1.00 0.00 C ATOM 411 CE LYS A 25 18.082 -0.818 5.005 1.00 0.00 C ATOM 412 NZ LYS A 25 19.336 -0.533 5.756 1.00 0.00 N ATOM 0 H LYS A 25 13.605 1.186 3.689 1.00 0.00 H new ATOM 0 HA LYS A 25 14.349 -1.367 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.177 1.493 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.536 0.121 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.197 0.868 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.551 1.428 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.144 -0.708 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.185 -1.529 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.125 -1.828 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.003 -0.135 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.965 0.054 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.107 -0.026 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.813 -1.428 5.987 1.00 0.00 H new ATOM 426 N LEU A 26 11.446 0.087 5.221 1.00 0.00 N ATOM 427 CA LEU A 26 10.096 -0.105 5.757 1.00 0.00 C ATOM 428 C LEU A 26 9.025 0.378 4.793 1.00 0.00 C ATOM 429 O LEU A 26 9.292 1.198 3.929 1.00 0.00 O ATOM 430 CB LEU A 26 9.946 0.677 7.064 1.00 0.00 C ATOM 431 CG LEU A 26 9.943 -0.154 8.340 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.254 0.731 9.541 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.600 -0.846 8.519 1.00 0.00 C ATOM 0 H LEU A 26 11.535 0.845 4.545 1.00 0.00 H new ATOM 0 HA LEU A 26 9.964 -1.175 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.758 1.401 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.016 1.244 7.021 1.00 0.00 H new ATOM 0 HG LEU A 26 10.715 -0.920 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.249 0.127 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.236 1.186 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.499 1.513 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.614 -1.436 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.810 -0.097 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.412 -1.501 7.668 1.00 0.00 H new ATOM 445 N TYR A 27 7.804 -0.131 4.946 1.00 0.00 N ATOM 446 CA TYR A 27 6.685 0.277 4.096 1.00 0.00 C ATOM 447 C TYR A 27 5.443 0.508 4.948 1.00 0.00 C ATOM 448 O TYR A 27 5.254 -0.139 5.977 1.00 0.00 O ATOM 449 CB TYR A 27 6.314 -0.794 3.061 1.00 0.00 C ATOM 450 CG TYR A 27 7.240 -0.919 1.881 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.306 0.059 0.905 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.016 -2.048 1.735 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.131 -0.088 -0.192 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.846 -2.211 0.653 1.00 0.00 C ATOM 455 CZ TYR A 27 8.902 -1.228 -0.315 1.00 0.00 C ATOM 456 OH TYR A 27 9.728 -1.383 -1.405 1.00 0.00 O ATOM 0 H TYR A 27 7.563 -0.828 5.651 1.00 0.00 H new ATOM 0 HA TYR A 27 7.006 1.184 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.269 -1.759 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.311 -0.581 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.704 0.950 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.971 -2.821 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.173 0.682 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.450 -3.101 0.560 1.00 0.00 H new ATOM 0 HH TYR A 27 10.201 -2.239 -1.338 1.00 0.00 H new ATOM 466 N ARG A 28 4.587 1.399 4.484 1.00 0.00 N ATOM 467 CA ARG A 28 3.338 1.702 5.154 1.00 0.00 C ATOM 468 C ARG A 28 2.194 1.085 4.376 1.00 0.00 C ATOM 469 O ARG A 28 2.088 1.307 3.155 1.00 0.00 O ATOM 470 CB ARG A 28 3.127 3.209 5.246 1.00 0.00 C ATOM 471 CG ARG A 28 1.817 3.614 5.898 1.00 0.00 C ATOM 472 CD ARG A 28 1.757 5.118 6.085 1.00 0.00 C ATOM 473 NE ARG A 28 0.547 5.702 5.511 1.00 0.00 N ATOM 474 CZ ARG A 28 0.503 6.897 4.920 1.00 0.00 C ATOM 475 NH1 ARG A 28 1.595 7.648 4.829 1.00 0.00 N ATOM 476 NH2 ARG A 28 -0.640 7.346 4.421 1.00 0.00 N ATOM 0 H ARG A 28 4.740 1.934 3.629 1.00 0.00 H new ATOM 0 HA ARG A 28 3.373 1.292 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.951 3.646 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.167 3.632 4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.981 3.285 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.716 3.118 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.801 5.351 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.632 5.574 5.623 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.317 5.163 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.478 7.312 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.550 8.560 4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.484 6.778 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.675 8.260 3.969 1.00 0.00 H new ATOM 490 N ILE A 29 1.361 0.308 5.086 1.00 0.00 N ATOM 491 CA ILE A 29 0.213 -0.375 4.486 1.00 0.00 C ATOM 492 C ILE A 29 -1.088 -0.021 5.209 1.00 0.00 C ATOM 493 O ILE A 29 -1.300 -0.412 6.357 1.00 0.00 O ATOM 494 CB ILE A 29 0.393 -1.907 4.530 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.721 -2.301 3.872 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.787 -2.611 3.864 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.667 -2.388 2.363 1.00 0.00 C ATOM 0 H ILE A 29 1.467 0.139 6.086 1.00 0.00 H new ATOM 0 HA ILE A 29 0.156 -0.040 3.450 1.00 0.00 H new ATOM 0 HB ILE A 29 0.420 -2.227 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.483 -1.575 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.037 -3.266 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.638 -3.690 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.708 -2.351 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.858 -2.296 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.647 -2.672 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.931 -3.136 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.384 -1.419 1.953 1.00 0.00 H new ATOM 509 N ARG A 30 -1.968 0.690 4.516 1.00 0.00 N ATOM 510 CA ARG A 30 -3.250 1.077 5.078 1.00 0.00 C ATOM 511 C ARG A 30 -4.308 0.036 4.741 1.00 0.00 C ATOM 512 O ARG A 30 -4.226 -0.617 3.707 1.00 0.00 O ATOM 513 CB ARG A 30 -3.671 2.450 4.546 1.00 0.00 C ATOM 514 CG ARG A 30 -3.868 3.490 5.635 1.00 0.00 C ATOM 515 CD ARG A 30 -4.396 4.796 5.069 1.00 0.00 C ATOM 516 NE ARG A 30 -5.733 4.646 4.502 1.00 0.00 N ATOM 517 CZ ARG A 30 -6.291 5.528 3.678 1.00 0.00 C ATOM 518 NH1 ARG A 30 -5.632 6.622 3.322 1.00 0.00 N ATOM 519 NH2 ARG A 30 -7.510 5.313 3.206 1.00 0.00 N ATOM 0 H ARG A 30 -1.814 1.010 3.560 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.151 1.138 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.915 2.807 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.599 2.344 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.564 3.108 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.921 3.669 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.419 5.549 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.715 5.159 4.300 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.271 3.816 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.692 6.791 3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.065 7.295 2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.020 4.471 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.939 5.989 2.574 1.00 0.00 H new ATOM 533 N TRP A 31 -5.296 -0.107 5.619 1.00 0.00 N ATOM 534 CA TRP A 31 -6.386 -1.054 5.410 1.00 0.00 C ATOM 535 C TRP A 31 -7.599 -0.659 6.249 1.00 0.00 C ATOM 536 O TRP A 31 -7.850 -1.245 7.302 1.00 0.00 O ATOM 537 CB TRP A 31 -6.018 -2.516 5.741 1.00 0.00 C ATOM 538 CG TRP A 31 -4.619 -2.772 6.214 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.805 -1.911 6.869 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.892 -3.999 6.086 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.601 -2.518 7.154 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.634 -3.806 6.681 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.188 -5.242 5.522 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.671 -4.813 6.726 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.239 -6.239 5.565 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.991 -6.023 6.164 1.00 0.00 C ATOM 0 H TRP A 31 -5.364 0.424 6.487 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.610 -1.008 4.344 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.706 -2.874 6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.191 -3.120 4.850 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.062 -0.895 7.130 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.815 -2.082 7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.147 -5.419 5.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.708 -4.647 7.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.460 -7.203 5.130 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.267 -6.824 6.184 1.00 0.00 H new ATOM 557 N LEU A 32 -8.353 0.333 5.788 1.00 0.00 N ATOM 558 CA LEU A 32 -9.537 0.773 6.523 1.00 0.00 C ATOM 559 C LEU A 32 -10.433 -0.418 6.850 1.00 0.00 C ATOM 560 O LEU A 32 -10.558 -0.823 8.005 1.00 0.00 O ATOM 561 CB LEU A 32 -10.351 1.825 5.744 1.00 0.00 C ATOM 562 CG LEU A 32 -9.831 2.205 4.353 1.00 0.00 C ATOM 563 CD1 LEU A 32 -9.991 1.043 3.382 1.00 0.00 C ATOM 564 CD2 LEU A 32 -10.564 3.436 3.835 1.00 0.00 C ATOM 0 H LEU A 32 -8.171 0.842 4.923 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.183 1.236 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.371 1.455 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.402 2.731 6.348 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.769 2.438 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.616 1.334 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.427 0.184 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.045 0.777 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.185 3.696 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.631 3.224 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.400 4.271 4.517 1.00 0.00 H new ATOM 576 N ASN A 33 -11.062 -0.953 5.811 1.00 0.00 N ATOM 577 CA ASN A 33 -11.971 -2.091 5.944 1.00 0.00 C ATOM 578 C ASN A 33 -11.437 -3.128 6.938 1.00 0.00 C ATOM 579 O ASN A 33 -12.176 -3.618 7.790 1.00 0.00 O ATOM 580 CB ASN A 33 -12.185 -2.742 4.578 1.00 0.00 C ATOM 581 CG ASN A 33 -13.165 -1.980 3.725 1.00 0.00 C ATOM 582 OD1 ASN A 33 -13.215 -0.750 3.748 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.957 -2.719 2.968 1.00 0.00 N ATOM 0 H ASN A 33 -10.959 -0.614 4.855 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.921 -1.720 6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.230 -2.809 4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.545 -3.762 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.650 -2.273 2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.876 -3.736 2.985 1.00 0.00 H new ATOM 590 N TYR A 34 -10.149 -3.441 6.830 1.00 0.00 N ATOM 591 CA TYR A 34 -9.511 -4.413 7.721 1.00 0.00 C ATOM 592 C TYR A 34 -9.141 -3.775 9.057 1.00 0.00 C ATOM 593 O TYR A 34 -9.489 -2.626 9.330 1.00 0.00 O ATOM 594 CB TYR A 34 -8.230 -4.959 7.086 1.00 0.00 C ATOM 595 CG TYR A 34 -8.428 -5.876 5.899 1.00 0.00 C ATOM 596 CD1 TYR A 34 -9.664 -6.022 5.279 1.00 0.00 C ATOM 597 CD2 TYR A 34 -7.356 -6.598 5.400 1.00 0.00 C ATOM 598 CE1 TYR A 34 -9.818 -6.866 4.195 1.00 0.00 C ATOM 599 CE2 TYR A 34 -7.498 -7.440 4.321 1.00 0.00 C ATOM 600 CZ TYR A 34 -8.732 -7.574 3.719 1.00 0.00 C ATOM 601 OH TYR A 34 -8.882 -8.413 2.639 1.00 0.00 O ATOM 0 H TYR A 34 -9.523 -3.036 6.134 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.227 -5.219 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.614 -4.116 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.669 -5.498 7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.515 -5.469 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.388 -6.498 5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.783 -6.971 3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.649 -7.993 3.948 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.022 -8.834 2.430 1.00 0.00 H new ATOM 611 N SER A 35 -8.407 -4.534 9.870 1.00 0.00 N ATOM 612 CA SER A 35 -7.938 -4.075 11.175 1.00 0.00 C ATOM 613 C SER A 35 -9.003 -3.304 11.945 1.00 0.00 C ATOM 614 O SER A 35 -10.173 -3.276 11.567 1.00 0.00 O ATOM 615 CB SER A 35 -6.695 -3.201 11.005 1.00 0.00 C ATOM 616 OG SER A 35 -7.048 -1.871 10.667 1.00 0.00 O ATOM 0 H SER A 35 -8.121 -5.486 9.641 1.00 0.00 H new ATOM 0 HA SER A 35 -7.697 -4.965 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.116 -3.203 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.056 -3.620 10.227 1.00 0.00 H new ATOM 0 HG SER A 35 -7.879 -1.875 10.147 1.00 0.00 H new ATOM 622 N SER A 36 -8.572 -2.683 13.038 1.00 0.00 N ATOM 623 CA SER A 36 -9.465 -1.907 13.886 1.00 0.00 C ATOM 624 C SER A 36 -8.713 -0.800 14.628 1.00 0.00 C ATOM 625 O SER A 36 -9.273 -0.153 15.514 1.00 0.00 O ATOM 626 CB SER A 36 -10.158 -2.823 14.897 1.00 0.00 C ATOM 627 OG SER A 36 -10.296 -4.137 14.383 1.00 0.00 O ATOM 0 H SER A 36 -7.603 -2.704 13.357 1.00 0.00 H new ATOM 0 HA SER A 36 -10.211 -1.440 13.242 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.583 -2.850 15.823 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.140 -2.420 15.144 1.00 0.00 H new ATOM 0 HG SER A 36 -10.740 -4.703 15.048 1.00 0.00 H new ATOM 633 N ARG A 37 -7.446 -0.579 14.272 1.00 0.00 N ATOM 634 CA ARG A 37 -6.646 0.453 14.925 1.00 0.00 C ATOM 635 C ARG A 37 -5.726 1.162 13.930 1.00 0.00 C ATOM 636 O ARG A 37 -4.520 1.267 14.154 1.00 0.00 O ATOM 637 CB ARG A 37 -5.805 -0.144 16.058 1.00 0.00 C ATOM 638 CG ARG A 37 -6.488 -1.267 16.826 1.00 0.00 C ATOM 639 CD ARG A 37 -5.467 -2.188 17.477 1.00 0.00 C ATOM 640 NE ARG A 37 -4.434 -2.609 16.533 1.00 0.00 N ATOM 641 CZ ARG A 37 -3.126 -2.577 16.786 1.00 0.00 C ATOM 642 NH1 ARG A 37 -2.673 -2.166 17.965 1.00 0.00 N ATOM 643 NH2 ARG A 37 -2.267 -2.965 15.855 1.00 0.00 N ATOM 0 H ARG A 37 -6.957 -1.097 13.542 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.341 1.183 15.339 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.872 -0.522 15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.543 0.650 16.757 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.140 -0.844 17.590 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.121 -1.841 16.149 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.002 -1.677 18.320 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.973 -3.067 17.877 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.734 -2.950 15.620 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.329 -1.871 18.688 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.670 -2.146 18.147 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.608 -3.287 14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.265 -2.942 16.044 1.00 0.00 H new ATOM 657 N SER A 38 -6.303 1.661 12.842 1.00 0.00 N ATOM 658 CA SER A 38 -5.536 2.377 11.823 1.00 0.00 C ATOM 659 C SER A 38 -4.603 1.446 11.046 1.00 0.00 C ATOM 660 O SER A 38 -4.690 0.223 11.151 1.00 0.00 O ATOM 661 CB SER A 38 -4.727 3.508 12.468 1.00 0.00 C ATOM 662 OG SER A 38 -3.443 3.060 12.869 1.00 0.00 O ATOM 0 H SER A 38 -7.300 1.584 12.641 1.00 0.00 H new ATOM 0 HA SER A 38 -6.250 2.796 11.114 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.623 4.332 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.266 3.896 13.333 1.00 0.00 H new ATOM 0 HG SER A 38 -3.533 2.443 13.625 1.00 0.00 H new ATOM 668 N ASP A 39 -3.711 2.052 10.263 1.00 0.00 N ATOM 669 CA ASP A 39 -2.747 1.316 9.448 1.00 0.00 C ATOM 670 C ASP A 39 -1.501 0.978 10.252 1.00 0.00 C ATOM 671 O ASP A 39 -1.298 1.509 11.345 1.00 0.00 O ATOM 672 CB ASP A 39 -2.352 2.162 8.236 1.00 0.00 C ATOM 673 CG ASP A 39 -1.737 3.490 8.643 1.00 0.00 C ATOM 674 OD1 ASP A 39 -2.489 4.378 9.096 1.00 0.00 O ATOM 675 OD2 ASP A 39 -0.503 3.637 8.513 1.00 0.00 O ATOM 0 H ASP A 39 -3.637 3.066 10.176 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.212 0.386 9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.642 1.607 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.232 2.344 7.619 1.00 0.00 H new ATOM 680 N THR A 40 -0.642 0.126 9.698 1.00 0.00 N ATOM 681 CA THR A 40 0.599 -0.248 10.358 1.00 0.00 C ATOM 682 C THR A 40 1.714 -0.360 9.323 1.00 0.00 C ATOM 683 O THR A 40 1.463 -0.316 8.114 1.00 0.00 O ATOM 684 CB THR A 40 0.440 -1.576 11.109 1.00 0.00 C ATOM 685 OG1 THR A 40 1.653 -2.310 11.106 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.635 -2.470 10.532 1.00 0.00 C ATOM 0 H THR A 40 -0.786 -0.318 8.791 1.00 0.00 H new ATOM 0 HA THR A 40 0.854 0.523 11.085 1.00 0.00 H new ATOM 0 HB THR A 40 0.152 -1.294 12.122 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.527 -3.152 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.692 -3.391 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.595 -1.956 10.571 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.393 -2.708 9.496 1.00 0.00 H new ATOM 694 N TRP A 41 2.947 -0.498 9.797 1.00 0.00 N ATOM 695 CA TRP A 41 4.091 -0.604 8.911 1.00 0.00 C ATOM 696 C TRP A 41 4.701 -2.001 8.967 1.00 0.00 C ATOM 697 O TRP A 41 4.693 -2.669 10.001 1.00 0.00 O ATOM 698 CB TRP A 41 5.143 0.451 9.272 1.00 0.00 C ATOM 699 CG TRP A 41 4.577 1.836 9.351 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.626 2.278 10.222 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.910 2.953 8.519 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.344 3.601 9.985 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.122 4.042 8.945 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.797 3.138 7.455 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.199 5.297 8.343 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.870 4.381 6.857 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.077 5.448 7.302 1.00 0.00 C ATOM 0 H TRP A 41 3.176 -0.539 10.790 1.00 0.00 H new ATOM 0 HA TRP A 41 3.747 -0.426 7.892 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.595 0.193 10.230 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.940 0.431 8.528 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.161 1.675 10.988 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.666 4.164 10.499 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.415 2.323 7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.589 6.120 8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.550 4.534 6.032 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.160 6.408 6.815 1.00 0.00 H new ATOM 718 N GLU A 42 5.249 -2.404 7.839 1.00 0.00 N ATOM 719 CA GLU A 42 5.894 -3.682 7.681 1.00 0.00 C ATOM 720 C GLU A 42 7.092 -3.527 6.759 1.00 0.00 C ATOM 721 O GLU A 42 7.036 -2.755 5.808 1.00 0.00 O ATOM 722 CB GLU A 42 4.925 -4.696 7.075 1.00 0.00 C ATOM 723 CG GLU A 42 3.463 -4.272 7.096 1.00 0.00 C ATOM 724 CD GLU A 42 2.517 -5.442 6.919 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.467 -6.002 5.804 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.820 -5.795 7.893 1.00 0.00 O ATOM 0 H GLU A 42 5.256 -1.837 6.991 1.00 0.00 H new ATOM 0 HA GLU A 42 6.216 -4.039 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.219 -4.887 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.023 -5.639 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.246 -3.773 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.288 -3.544 6.304 1.00 0.00 H new ATOM 733 N PRO A 43 8.188 -4.255 6.998 1.00 0.00 N ATOM 734 CA PRO A 43 9.359 -4.167 6.132 1.00 0.00 C ATOM 735 C PRO A 43 8.999 -4.501 4.685 1.00 0.00 C ATOM 736 O PRO A 43 7.853 -4.831 4.386 1.00 0.00 O ATOM 737 CB PRO A 43 10.335 -5.197 6.702 1.00 0.00 C ATOM 738 CG PRO A 43 9.841 -5.509 8.079 1.00 0.00 C ATOM 739 CD PRO A 43 8.364 -5.220 8.093 1.00 0.00 C ATOM 0 HA PRO A 43 9.781 -3.162 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.362 -6.094 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.350 -4.800 6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.032 -6.552 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.360 -4.902 8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.777 -6.124 7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.046 -4.803 9.049 1.00 0.00 H new ATOM 747 N PRO A 44 9.980 -4.470 3.771 1.00 0.00 N ATOM 748 CA PRO A 44 9.767 -4.784 2.357 1.00 0.00 C ATOM 749 C PRO A 44 9.919 -6.266 2.068 1.00 0.00 C ATOM 750 O PRO A 44 9.160 -6.857 1.301 1.00 0.00 O ATOM 751 CB PRO A 44 10.889 -3.995 1.715 1.00 0.00 C ATOM 752 CG PRO A 44 12.005 -4.141 2.644 1.00 0.00 C ATOM 753 CD PRO A 44 11.399 -4.169 4.035 1.00 0.00 C ATOM 0 HA PRO A 44 8.766 -4.539 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.138 -4.387 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.615 -2.948 1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.561 -5.057 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.707 -3.313 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.863 -4.930 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.521 -3.215 4.548 1.00 0.00 H new ATOM 761 N GLU A 45 10.943 -6.840 2.659 1.00 0.00 N ATOM 762 CA GLU A 45 11.250 -8.257 2.476 1.00 0.00 C ATOM 763 C GLU A 45 10.013 -9.122 2.703 1.00 0.00 C ATOM 764 O GLU A 45 9.822 -10.134 2.031 1.00 0.00 O ATOM 765 CB GLU A 45 12.369 -8.682 3.426 1.00 0.00 C ATOM 766 CG GLU A 45 13.745 -8.203 2.992 1.00 0.00 C ATOM 767 CD GLU A 45 14.733 -9.340 2.821 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.366 -10.355 2.192 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.874 -9.214 3.314 1.00 0.00 O ATOM 0 H GLU A 45 11.588 -6.349 3.278 1.00 0.00 H new ATOM 0 HA GLU A 45 11.581 -8.400 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.156 -8.295 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.378 -9.769 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.656 -7.660 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.130 -7.500 3.731 1.00 0.00 H new ATOM 776 N ASN A 46 9.169 -8.713 3.648 1.00 0.00 N ATOM 777 CA ASN A 46 7.956 -9.439 3.947 1.00 0.00 C ATOM 778 C ASN A 46 7.003 -9.403 2.761 1.00 0.00 C ATOM 779 O ASN A 46 6.171 -10.294 2.594 1.00 0.00 O ATOM 780 CB ASN A 46 7.270 -8.825 5.157 1.00 0.00 C ATOM 781 CG ASN A 46 8.173 -8.694 6.360 1.00 0.00 C ATOM 782 OD1 ASN A 46 9.352 -9.047 6.315 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.611 -8.184 7.450 1.00 0.00 N ATOM 0 H ASN A 46 9.312 -7.878 4.217 1.00 0.00 H new ATOM 0 HA ASN A 46 8.221 -10.475 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.891 -7.839 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.408 -9.436 5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.161 -8.070 8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.630 -7.907 7.436 1.00 0.00 H new ATOM 790 N LEU A 47 7.116 -8.355 1.952 1.00 0.00 N ATOM 791 CA LEU A 47 6.251 -8.201 0.797 1.00 0.00 C ATOM 792 C LEU A 47 6.586 -9.210 -0.287 1.00 0.00 C ATOM 793 O LEU A 47 5.753 -9.497 -1.136 1.00 0.00 O ATOM 794 CB LEU A 47 6.336 -6.791 0.219 1.00 0.00 C ATOM 795 CG LEU A 47 6.608 -5.671 1.221 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.591 -4.336 0.518 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.597 -5.668 2.346 1.00 0.00 C ATOM 0 H LEU A 47 7.796 -7.605 2.077 1.00 0.00 H new ATOM 0 HA LEU A 47 5.233 -8.380 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.123 -6.776 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.399 -6.573 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 47 7.592 -5.847 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.786 -3.542 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.360 -4.321 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.615 -4.178 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.825 -4.857 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.597 -5.526 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.640 -6.619 2.876 1.00 0.00 H new ATOM 809 N SER A 48 7.795 -9.764 -0.272 1.00 0.00 N ATOM 810 CA SER A 48 8.172 -10.751 -1.284 1.00 0.00 C ATOM 811 C SER A 48 6.946 -11.557 -1.711 1.00 0.00 C ATOM 812 O SER A 48 6.595 -11.607 -2.890 1.00 0.00 O ATOM 813 CB SER A 48 9.260 -11.683 -0.746 1.00 0.00 C ATOM 814 OG SER A 48 8.793 -12.426 0.368 1.00 0.00 O ATOM 0 H SER A 48 8.519 -9.553 0.415 1.00 0.00 H new ATOM 0 HA SER A 48 8.569 -10.226 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.580 -12.365 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.133 -11.098 -0.456 1.00 0.00 H new ATOM 0 HG SER A 48 8.979 -11.931 1.193 1.00 0.00 H new ATOM 820 N GLY A 49 6.305 -12.191 -0.735 1.00 0.00 N ATOM 821 CA GLY A 49 5.130 -12.994 -1.007 1.00 0.00 C ATOM 822 C GLY A 49 3.941 -12.204 -1.541 1.00 0.00 C ATOM 823 O GLY A 49 3.054 -12.784 -2.168 1.00 0.00 O ATOM 0 H GLY A 49 6.582 -12.162 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.392 -13.767 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.831 -13.502 -0.090 1.00 0.00 H new ATOM 827 N CYS A 50 3.892 -10.888 -1.293 1.00 0.00 N ATOM 828 CA CYS A 50 2.779 -10.078 -1.766 1.00 0.00 C ATOM 829 C CYS A 50 2.534 -10.307 -3.245 1.00 0.00 C ATOM 830 O CYS A 50 1.516 -10.889 -3.623 1.00 0.00 O ATOM 831 CB CYS A 50 3.022 -8.590 -1.493 1.00 0.00 C ATOM 832 SG CYS A 50 2.424 -8.028 0.117 1.00 0.00 S ATOM 0 H CYS A 50 4.604 -10.374 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 50 1.890 -10.386 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.091 -8.389 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.536 -8.004 -2.274 1.00 0.00 H new ATOM 0 HG CYS A 50 2.677 -6.760 0.255 1.00 0.00 H new ATOM 838 N SER A 51 3.456 -9.856 -4.087 1.00 0.00 N ATOM 839 CA SER A 51 3.360 -10.008 -5.540 1.00 0.00 C ATOM 840 C SER A 51 2.438 -8.965 -6.171 1.00 0.00 C ATOM 841 O SER A 51 2.891 -8.107 -6.942 1.00 0.00 O ATOM 842 CB SER A 51 2.899 -11.426 -5.909 1.00 0.00 C ATOM 843 OG SER A 51 1.582 -11.428 -6.437 1.00 0.00 O ATOM 0 H SER A 51 4.299 -9.370 -3.782 1.00 0.00 H new ATOM 0 HA SER A 51 4.359 -9.845 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.585 -11.853 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.938 -12.063 -5.025 1.00 0.00 H new ATOM 0 HG SER A 51 1.321 -12.345 -6.662 1.00 0.00 H new ATOM 849 N ALA A 52 1.160 -9.010 -5.829 1.00 0.00 N ATOM 850 CA ALA A 52 0.207 -8.054 -6.370 1.00 0.00 C ATOM 851 C ALA A 52 0.468 -6.672 -5.804 1.00 0.00 C ATOM 852 O ALA A 52 0.519 -5.677 -6.534 1.00 0.00 O ATOM 853 CB ALA A 52 -1.216 -8.502 -6.067 1.00 0.00 C ATOM 0 H ALA A 52 0.761 -9.692 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 52 0.330 -8.008 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.920 -7.778 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.394 -9.478 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.354 -8.571 -4.988 1.00 0.00 H new ATOM 859 N VAL A 53 0.613 -6.619 -4.492 1.00 0.00 N ATOM 860 CA VAL A 53 0.847 -5.366 -3.806 1.00 0.00 C ATOM 861 C VAL A 53 2.079 -4.653 -4.335 1.00 0.00 C ATOM 862 O VAL A 53 2.022 -3.463 -4.691 1.00 0.00 O ATOM 863 CB VAL A 53 0.984 -5.577 -2.282 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.226 -4.257 -1.563 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.248 -6.278 -1.728 1.00 0.00 C ATOM 0 H VAL A 53 0.572 -7.434 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.023 -4.738 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 53 1.851 -6.214 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.318 -4.438 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.145 -3.803 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.389 -3.584 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.134 -6.418 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.131 -5.670 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.362 -7.249 -2.211 1.00 0.00 H new ATOM 875 N LEU A 54 3.193 -5.368 -4.413 1.00 0.00 N ATOM 876 CA LEU A 54 4.407 -4.770 -4.921 1.00 0.00 C ATOM 877 C LEU A 54 4.180 -4.286 -6.329 1.00 0.00 C ATOM 878 O LEU A 54 4.617 -3.207 -6.688 1.00 0.00 O ATOM 879 CB LEU A 54 5.569 -5.769 -4.918 1.00 0.00 C ATOM 880 CG LEU A 54 5.890 -6.417 -3.572 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.187 -7.211 -3.665 1.00 0.00 C ATOM 882 CD2 LEU A 54 5.979 -5.358 -2.479 1.00 0.00 C ATOM 0 H LEU A 54 3.276 -6.346 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 54 4.667 -3.936 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.345 -6.559 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.463 -5.258 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 54 5.085 -7.105 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.404 -7.668 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.083 -7.991 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.003 -6.544 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.208 -5.836 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.766 -4.646 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.026 -4.834 -2.402 1.00 0.00 H new ATOM 894 N ALA A 55 3.506 -5.098 -7.131 1.00 0.00 N ATOM 895 CA ALA A 55 3.256 -4.733 -8.514 1.00 0.00 C ATOM 896 C ALA A 55 2.522 -3.399 -8.663 1.00 0.00 C ATOM 897 O ALA A 55 2.890 -2.599 -9.539 1.00 0.00 O ATOM 898 CB ALA A 55 2.488 -5.839 -9.228 1.00 0.00 C ATOM 0 H ALA A 55 3.127 -6.003 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 55 4.233 -4.606 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.310 -5.548 -10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.071 -6.760 -9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.534 -6.001 -8.727 1.00 0.00 H new ATOM 904 N GLU A 56 1.490 -3.120 -7.844 1.00 0.00 N ATOM 905 CA GLU A 56 0.792 -1.863 -8.016 1.00 0.00 C ATOM 906 C GLU A 56 1.709 -0.734 -7.600 1.00 0.00 C ATOM 907 O GLU A 56 1.775 0.306 -8.252 1.00 0.00 O ATOM 908 CB GLU A 56 -0.493 -1.798 -7.185 1.00 0.00 C ATOM 909 CG GLU A 56 -0.400 -0.848 -6.005 1.00 0.00 C ATOM 910 CD GLU A 56 -1.761 -0.409 -5.492 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.747 -0.538 -6.246 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.837 0.062 -4.338 1.00 0.00 O ATOM 0 H GLU A 56 1.145 -3.723 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 56 0.513 -1.774 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.317 -1.488 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.732 -2.797 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.148 -1.332 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.174 0.032 -6.297 1.00 0.00 H new ATOM 919 N TRP A 57 2.422 -0.947 -6.498 1.00 0.00 N ATOM 920 CA TRP A 57 3.317 0.072 -5.996 1.00 0.00 C ATOM 921 C TRP A 57 4.360 0.444 -7.044 1.00 0.00 C ATOM 922 O TRP A 57 4.416 1.596 -7.463 1.00 0.00 O ATOM 923 CB TRP A 57 3.960 -0.379 -4.688 1.00 0.00 C ATOM 924 CG TRP A 57 4.487 0.768 -3.896 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.756 0.920 -3.451 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.769 1.941 -3.482 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.880 2.102 -2.791 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.677 2.755 -2.798 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.449 2.382 -3.628 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.319 3.987 -2.259 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.092 3.605 -3.094 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.026 4.396 -2.416 1.00 0.00 C ATOM 0 H TRP A 57 2.394 -1.805 -5.947 1.00 0.00 H new ATOM 0 HA TRP A 57 2.738 0.971 -5.785 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.226 -0.923 -4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.772 -1.073 -4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.553 0.207 -3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.736 2.448 -2.358 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.722 1.777 -4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.039 4.598 -1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.076 3.956 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.718 5.348 -2.009 1.00 0.00 H new ATOM 943 N LYS A 58 5.173 -0.515 -7.492 1.00 0.00 N ATOM 944 CA LYS A 58 6.184 -0.224 -8.510 1.00 0.00 C ATOM 945 C LYS A 58 5.564 0.530 -9.676 1.00 0.00 C ATOM 946 O LYS A 58 6.014 1.618 -10.038 1.00 0.00 O ATOM 947 CB LYS A 58 6.869 -1.493 -9.040 1.00 0.00 C ATOM 948 CG LYS A 58 6.160 -2.769 -8.703 1.00 0.00 C ATOM 949 CD LYS A 58 6.409 -3.839 -9.754 1.00 0.00 C ATOM 950 CE LYS A 58 6.717 -5.179 -9.113 1.00 0.00 C ATOM 951 NZ LYS A 58 6.689 -6.290 -10.103 1.00 0.00 N ATOM 0 H LYS A 58 5.153 -1.484 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 58 6.943 0.391 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.958 -1.417 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.882 -1.538 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.497 -3.128 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.090 -2.581 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.533 -3.933 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.240 -3.539 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.699 -5.138 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.992 -5.378 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.905 -7.187 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.745 -6.346 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.398 -6.114 -10.843 1.00 0.00 H new ATOM 965 N ARG A 59 4.523 -0.056 -10.263 1.00 0.00 N ATOM 966 CA ARG A 59 3.848 0.569 -11.390 1.00 0.00 C ATOM 967 C ARG A 59 3.445 2.008 -11.067 1.00 0.00 C ATOM 968 O ARG A 59 3.351 2.849 -11.959 1.00 0.00 O ATOM 969 CB ARG A 59 2.627 -0.261 -11.787 1.00 0.00 C ATOM 970 CG ARG A 59 3.003 -1.580 -12.442 1.00 0.00 C ATOM 971 CD ARG A 59 1.833 -2.218 -13.166 1.00 0.00 C ATOM 972 NE ARG A 59 2.122 -3.603 -13.529 1.00 0.00 N ATOM 973 CZ ARG A 59 1.356 -4.338 -14.331 1.00 0.00 C ATOM 974 NH1 ARG A 59 0.244 -3.832 -14.847 1.00 0.00 N ATOM 975 NH2 ARG A 59 1.703 -5.586 -14.616 1.00 0.00 N ATOM 0 H ARG A 59 4.134 -0.955 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 59 4.541 0.605 -12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.023 -0.459 -10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.007 0.317 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.817 -1.414 -13.148 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.375 -2.267 -11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.948 -2.184 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.603 -1.645 -14.064 1.00 0.00 H new ATOM 0 HE ARG A 59 2.963 -4.033 -13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.029 -2.873 -14.630 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.338 -4.401 -15.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.556 -5.981 -14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.117 -6.151 -15.231 1.00 0.00 H new ATOM 989 N ARG A 60 3.196 2.279 -9.786 1.00 0.00 N ATOM 990 CA ARG A 60 2.780 3.615 -9.345 1.00 0.00 C ATOM 991 C ARG A 60 3.956 4.469 -8.859 1.00 0.00 C ATOM 992 O ARG A 60 3.900 5.698 -8.906 1.00 0.00 O ATOM 993 CB ARG A 60 1.740 3.480 -8.224 1.00 0.00 C ATOM 994 CG ARG A 60 0.391 4.118 -8.537 1.00 0.00 C ATOM 995 CD ARG A 60 -0.069 3.821 -9.957 1.00 0.00 C ATOM 996 NE ARG A 60 0.033 5.001 -10.809 1.00 0.00 N ATOM 997 CZ ARG A 60 -0.739 6.077 -10.678 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.708 6.102 -9.773 1.00 0.00 N ATOM 999 NH2 ARG A 60 -0.550 7.129 -11.463 1.00 0.00 N ATOM 0 H ARG A 60 3.274 1.594 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 60 2.349 4.124 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.587 2.422 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.141 3.932 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.355 3.752 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.460 5.197 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.535 3.015 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.101 3.471 -9.941 1.00 0.00 H new ATOM 0 HE ARG A 60 0.737 5.001 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.865 5.293 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.296 6.930 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.187 7.114 -12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.142 7.953 -11.362 1.00 0.00 H new ATOM 1013 N LYS A 61 4.992 3.820 -8.349 1.00 0.00 N ATOM 1014 CA LYS A 61 6.155 4.520 -7.810 1.00 0.00 C ATOM 1015 C LYS A 61 6.897 5.376 -8.821 1.00 0.00 C ATOM 1016 O LYS A 61 7.479 6.392 -8.447 1.00 0.00 O ATOM 1017 CB LYS A 61 7.134 3.519 -7.204 1.00 0.00 C ATOM 1018 CG LYS A 61 7.094 3.486 -5.693 1.00 0.00 C ATOM 1019 CD LYS A 61 8.414 3.927 -5.079 1.00 0.00 C ATOM 1020 CE LYS A 61 8.443 5.430 -4.848 1.00 0.00 C ATOM 1021 NZ LYS A 61 7.339 5.880 -3.953 1.00 0.00 N ATOM 0 H LYS A 61 5.054 2.803 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 61 5.759 5.198 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.911 2.524 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.145 3.767 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.294 4.135 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.858 2.476 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.568 3.409 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.236 3.642 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.401 5.711 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.366 5.945 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.730 6.465 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.654 6.439 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.862 5.050 -3.546 1.00 0.00 H new ATOM 1035 N ARG A 62 6.935 4.955 -10.075 1.00 0.00 N ATOM 1036 CA ARG A 62 7.691 5.706 -11.086 1.00 0.00 C ATOM 1037 C ARG A 62 7.521 7.205 -10.907 1.00 0.00 C ATOM 1038 O ARG A 62 8.487 7.930 -10.678 1.00 0.00 O ATOM 1039 CB ARG A 62 7.245 5.300 -12.490 1.00 0.00 C ATOM 1040 CG ARG A 62 7.663 3.890 -12.874 1.00 0.00 C ATOM 1041 CD ARG A 62 8.326 3.854 -14.242 1.00 0.00 C ATOM 1042 NE ARG A 62 7.528 4.538 -15.257 1.00 0.00 N ATOM 1043 CZ ARG A 62 6.541 3.962 -15.939 1.00 0.00 C ATOM 1044 NH1 ARG A 62 6.222 2.691 -15.723 1.00 0.00 N ATOM 1045 NH2 ARG A 62 5.871 4.661 -16.844 1.00 0.00 N ATOM 0 H ARG A 62 6.466 4.118 -10.420 1.00 0.00 H new ATOM 0 HA ARG A 62 8.746 5.465 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.160 5.379 -12.555 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.660 6.003 -13.212 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.351 3.498 -12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.789 3.239 -12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.310 4.320 -14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.482 2.818 -14.542 1.00 0.00 H new ATOM 0 HE ARG A 62 7.740 5.516 -15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.735 2.147 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.464 2.259 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.112 5.637 -17.016 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.114 4.223 -17.369 1.00 0.00 H new ATOM 1059 N ARG A 63 6.298 7.651 -11.025 1.00 0.00 N ATOM 1060 CA ARG A 63 5.988 9.072 -10.899 1.00 0.00 C ATOM 1061 C ARG A 63 6.199 9.579 -9.472 1.00 0.00 C ATOM 1062 O ARG A 63 6.969 10.510 -9.263 1.00 0.00 O ATOM 1063 CB ARG A 63 4.564 9.360 -11.378 1.00 0.00 C ATOM 1064 CG ARG A 63 4.522 9.887 -12.805 1.00 0.00 C ATOM 1065 CD ARG A 63 3.136 10.371 -13.197 1.00 0.00 C ATOM 1066 NE ARG A 63 3.039 10.617 -14.635 1.00 0.00 N ATOM 1067 CZ ARG A 63 2.999 9.654 -15.551 1.00 0.00 C ATOM 1068 NH1 ARG A 63 3.019 8.378 -15.183 1.00 0.00 N ATOM 1069 NH2 ARG A 63 2.938 9.966 -16.839 1.00 0.00 N ATOM 0 H ARG A 63 5.489 7.057 -11.209 1.00 0.00 H new ATOM 0 HA ARG A 63 6.684 9.615 -11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.972 8.447 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.101 10.088 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.234 10.706 -12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.838 9.101 -13.490 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.394 9.628 -12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.903 11.287 -12.654 1.00 0.00 H new ATOM 0 HE ARG A 63 3.000 11.585 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.065 8.133 -14.194 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.988 7.643 -15.889 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.922 10.945 -17.127 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.907 9.227 -17.542 1.00 0.00 H new ATOM 1083 N LEU A 64 5.522 8.960 -8.505 1.00 0.00 N ATOM 1084 CA LEU A 64 5.624 9.340 -7.091 1.00 0.00 C ATOM 1085 C LEU A 64 5.503 10.849 -6.868 1.00 0.00 C ATOM 1086 O LEU A 64 5.745 11.651 -7.767 1.00 0.00 O ATOM 1087 CB LEU A 64 6.886 8.724 -6.437 1.00 0.00 C ATOM 1088 CG LEU A 64 8.250 9.414 -6.637 1.00 0.00 C ATOM 1089 CD1 LEU A 64 8.877 9.022 -7.963 1.00 0.00 C ATOM 1090 CD2 LEU A 64 8.147 10.920 -6.513 1.00 0.00 C ATOM 0 H LEU A 64 4.887 8.181 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 64 4.762 8.913 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.703 8.664 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.979 7.701 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 64 8.903 9.065 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.838 9.525 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.027 7.943 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.217 9.316 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.131 11.365 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.459 11.301 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.777 11.179 -5.521 1.00 0.00 H new ATOM 1102 N LYS A 65 5.107 11.223 -5.650 1.00 0.00 N ATOM 1103 CA LYS A 65 4.935 12.634 -5.288 1.00 0.00 C ATOM 1104 C LYS A 65 6.098 13.129 -4.430 1.00 0.00 C ATOM 1105 O LYS A 65 7.083 12.422 -4.224 1.00 0.00 O ATOM 1106 CB LYS A 65 3.608 12.880 -4.541 1.00 0.00 C ATOM 1107 CG LYS A 65 2.732 11.648 -4.335 1.00 0.00 C ATOM 1108 CD LYS A 65 2.762 11.176 -2.889 1.00 0.00 C ATOM 1109 CE LYS A 65 4.165 10.780 -2.456 1.00 0.00 C ATOM 1110 NZ LYS A 65 4.233 9.355 -2.028 1.00 0.00 N ATOM 0 H LYS A 65 4.899 10.569 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 65 4.914 13.194 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.835 13.310 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.034 13.625 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.706 11.878 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.073 10.845 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.391 11.969 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.091 10.326 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.859 10.945 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.486 11.421 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.206 9.125 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.590 9.203 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.951 8.741 -2.819 1.00 0.00 H new ATOM 1124 N GLY A 66 5.977 14.356 -3.935 1.00 0.00 N ATOM 1125 CA GLY A 66 7.026 14.931 -3.114 1.00 0.00 C ATOM 1126 C GLY A 66 6.794 14.738 -1.627 1.00 0.00 C ATOM 1127 O GLY A 66 6.592 15.707 -0.896 1.00 0.00 O ATOM 0 H GLY A 66 5.171 14.962 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.980 14.481 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.103 15.997 -3.328 1.00 0.00 H new ATOM 1131 N SER A 67 6.836 13.489 -1.174 1.00 0.00 N ATOM 1132 CA SER A 67 6.640 13.186 0.241 1.00 0.00 C ATOM 1133 C SER A 67 7.959 12.785 0.890 1.00 0.00 C ATOM 1134 O SER A 67 8.296 11.603 0.958 1.00 0.00 O ATOM 1135 CB SER A 67 5.612 12.067 0.418 1.00 0.00 C ATOM 1136 OG SER A 67 4.300 12.533 0.145 1.00 0.00 O ATOM 0 H SER A 67 7.003 12.673 -1.763 1.00 0.00 H new ATOM 0 HA SER A 67 6.265 14.086 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.853 11.238 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.660 11.682 1.437 1.00 0.00 H new ATOM 0 HG SER A 67 4.321 13.135 -0.628 1.00 0.00 H new ATOM 1142 N ASN A 68 8.702 13.778 1.366 1.00 0.00 N ATOM 1143 CA ASN A 68 9.984 13.533 2.016 1.00 0.00 C ATOM 1144 C ASN A 68 10.851 12.590 1.186 1.00 0.00 C ATOM 1145 O ASN A 68 10.899 11.387 1.442 1.00 0.00 O ATOM 1146 CB ASN A 68 9.760 12.951 3.412 1.00 0.00 C ATOM 1147 CG ASN A 68 8.768 13.765 4.222 1.00 0.00 C ATOM 1148 OD1 ASN A 68 7.895 13.212 4.891 1.00 0.00 O ATOM 1149 ND2 ASN A 68 8.898 15.085 4.164 1.00 0.00 N ATOM 0 H ASN A 68 8.438 14.762 1.314 1.00 0.00 H new ATOM 0 HA ASN A 68 10.508 14.485 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.399 11.926 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.711 12.909 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.259 15.684 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.637 15.500 3.596 1.00 0.00 H new ATOM 1156 N SER A 69 11.531 13.146 0.188 1.00 0.00 N ATOM 1157 CA SER A 69 12.394 12.355 -0.682 1.00 0.00 C ATOM 1158 C SER A 69 13.827 12.342 -0.161 1.00 0.00 C ATOM 1159 O SER A 69 14.061 12.887 0.938 1.00 0.00 O ATOM 1160 CB SER A 69 12.365 12.911 -2.106 1.00 0.00 C ATOM 1161 OG SER A 69 13.195 12.152 -2.968 1.00 0.00 O ATOM 1162 OXT SER A 69 14.704 11.785 -0.854 1.00 0.00 O ATOM 0 H SER A 69 11.501 14.140 -0.038 1.00 0.00 H new ATOM 0 HA SER A 69 12.019 11.332 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.342 12.903 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.695 13.950 -2.101 1.00 0.00 H new ATOM 0 HG SER A 69 13.830 11.630 -2.435 1.00 0.00 H new TER 1168 SER A 69