USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 MET CE :methyl -173:sc= -1.25 (180deg=-1.41) USER MOD Set 1.2: A 42 ASN : amide:sc= 1.12 K(o=-0.12,f=-2.5) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.414 K(o=0.33,f=-7.6!) USER MOD Set 2.2: A 61 THR OG1 : rot -110:sc= -0.082 USER MOD Set 3.1: A 14 THR OG1 : rot -68:sc= 0.137 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.685! (180deg=0.0716!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.106 USER MOD Single : A 18 CYS SG : rot 107:sc= 0.0179 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.147 F(o=-1.2,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 130:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 140:sc= -1.04 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0.63 (180deg=-2.34!) USER MOD Single : A 45 HIS : no HE2:sc= 0.392 K(o=0.39,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 1.1 (180deg=-0.355) USER MOD Single : A 48 TYR OH : rot 0:sc= -0.058 USER MOD Single : A 60 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.13) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0.649 (180deg=0.579) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.612 9.105 -12.984 1.00 7.30 N ATOM 2 CA MET A 1 7.759 9.460 -14.124 1.00 6.73 C ATOM 3 C MET A 1 6.870 8.250 -14.412 1.00 5.35 C ATOM 4 O MET A 1 7.376 7.130 -14.369 1.00 5.06 O ATOM 5 CB MET A 1 8.625 9.855 -15.335 1.00 7.16 C ATOM 6 CG MET A 1 7.928 10.844 -16.281 1.00 8.04 C ATOM 7 SD MET A 1 6.494 10.222 -17.192 1.00 8.07 S ATOM 8 CE MET A 1 6.004 11.719 -18.075 1.00 9.05 C ATOM 0 H1 MET A 1 8.896 9.969 -12.480 1.00 7.30 H new ATOM 0 H2 MET A 1 8.086 8.484 -12.337 1.00 7.30 H new ATOM 0 H3 MET A 1 9.460 8.609 -13.326 1.00 7.30 H new ATOM 0 HA MET A 1 7.133 10.325 -13.904 1.00 6.73 H new ATOM 0 HB2 MET A 1 9.556 10.297 -14.979 1.00 7.16 H new ATOM 0 HB3 MET A 1 8.891 8.956 -15.891 1.00 7.16 H new ATOM 0 HG2 MET A 1 7.612 11.708 -15.697 1.00 8.04 H new ATOM 0 HG3 MET A 1 8.663 11.199 -17.004 1.00 8.04 H new ATOM 0 HE1 MET A 1 5.128 11.509 -18.689 1.00 9.05 H new ATOM 0 HE2 MET A 1 5.765 12.503 -17.357 1.00 9.05 H new ATOM 0 HE3 MET A 1 6.823 12.049 -18.713 1.00 9.05 H new ATOM 20 N GLY A 2 5.586 8.456 -14.714 1.00 5.23 N ATOM 21 CA GLY A 2 4.659 7.386 -15.059 1.00 4.44 C ATOM 22 C GLY A 2 4.067 6.722 -13.815 1.00 3.83 C ATOM 23 O GLY A 2 4.508 6.962 -12.691 1.00 4.30 O ATOM 0 H GLY A 2 5.160 9.383 -14.725 1.00 5.23 H new ATOM 0 HA2 GLY A 2 3.854 7.787 -15.674 1.00 4.44 H new ATOM 0 HA3 GLY A 2 5.176 6.637 -15.659 1.00 4.44 H new ATOM 27 N ASP A 3 3.053 5.875 -14.007 1.00 3.34 N ATOM 28 CA ASP A 3 2.353 5.176 -12.941 1.00 3.04 C ATOM 29 C ASP A 3 3.197 3.993 -12.454 1.00 1.98 C ATOM 30 O ASP A 3 2.803 2.837 -12.583 1.00 2.66 O ATOM 31 CB ASP A 3 0.960 4.758 -13.444 1.00 3.86 C ATOM 32 CG ASP A 3 1.022 3.823 -14.648 1.00 4.16 C ATOM 33 OD1 ASP A 3 1.696 4.221 -15.625 1.00 4.53 O ATOM 34 OD2 ASP A 3 0.381 2.746 -14.581 1.00 4.93 O ATOM 0 H ASP A 3 2.691 5.655 -14.935 1.00 3.34 H new ATOM 0 HA ASP A 3 2.206 5.829 -12.080 1.00 3.04 H new ATOM 0 HB2 ASP A 3 0.419 4.266 -12.635 1.00 3.86 H new ATOM 0 HB3 ASP A 3 0.393 5.650 -13.711 1.00 3.86 H new ATOM 39 N GLY A 4 4.367 4.299 -11.885 1.00 1.00 N ATOM 40 CA GLY A 4 5.296 3.316 -11.344 1.00 1.05 C ATOM 41 C GLY A 4 4.568 2.297 -10.468 1.00 1.08 C ATOM 42 O GLY A 4 3.766 2.676 -9.620 1.00 1.57 O ATOM 0 H GLY A 4 4.697 5.259 -11.788 1.00 1.00 H new ATOM 0 HA2 GLY A 4 5.803 2.802 -12.161 1.00 1.05 H new ATOM 0 HA3 GLY A 4 6.065 3.821 -10.759 1.00 1.05 H new ATOM 46 N VAL A 5 4.808 1.004 -10.693 1.00 0.94 N ATOM 47 CA VAL A 5 4.068 -0.064 -10.035 1.00 0.96 C ATOM 48 C VAL A 5 4.928 -0.681 -8.940 1.00 1.03 C ATOM 49 O VAL A 5 6.061 -1.086 -9.200 1.00 1.29 O ATOM 50 CB VAL A 5 3.575 -1.096 -11.066 1.00 1.04 C ATOM 51 CG1 VAL A 5 2.790 -0.366 -12.157 1.00 1.95 C ATOM 52 CG2 VAL A 5 4.680 -1.931 -11.727 1.00 2.73 C ATOM 0 H VAL A 5 5.524 0.671 -11.339 1.00 0.94 H new ATOM 0 HA VAL A 5 3.176 0.342 -9.558 1.00 0.96 H new ATOM 0 HB VAL A 5 2.958 -1.802 -10.511 1.00 1.04 H new ATOM 0 HG11 VAL A 5 2.435 -1.087 -12.894 1.00 1.95 H new ATOM 0 HG12 VAL A 5 1.938 0.146 -11.711 1.00 1.95 H new ATOM 0 HG13 VAL A 5 3.437 0.363 -12.645 1.00 1.95 H new ATOM 0 HG21 VAL A 5 4.234 -2.628 -12.436 1.00 2.73 H new ATOM 0 HG22 VAL A 5 5.370 -1.271 -12.252 1.00 2.73 H new ATOM 0 HG23 VAL A 5 5.222 -2.488 -10.963 1.00 2.73 H new ATOM 62 N LEU A 6 4.407 -0.747 -7.713 1.00 0.97 N ATOM 63 CA LEU A 6 5.044 -1.451 -6.629 1.00 1.09 C ATOM 64 C LEU A 6 3.991 -2.258 -5.879 1.00 0.99 C ATOM 65 O LEU A 6 3.319 -1.780 -4.965 1.00 1.34 O ATOM 66 CB LEU A 6 5.765 -0.449 -5.735 1.00 1.43 C ATOM 67 CG LEU A 6 6.995 -1.046 -5.047 1.00 2.17 C ATOM 68 CD1 LEU A 6 6.758 -2.422 -4.415 1.00 2.16 C ATOM 69 CD2 LEU A 6 8.198 -1.102 -5.998 1.00 4.02 C ATOM 0 H LEU A 6 3.524 -0.306 -7.455 1.00 0.97 H new ATOM 0 HA LEU A 6 5.793 -2.151 -7.000 1.00 1.09 H new ATOM 0 HB2 LEU A 6 6.070 0.410 -6.332 1.00 1.43 H new ATOM 0 HB3 LEU A 6 5.073 -0.081 -4.977 1.00 1.43 H new ATOM 0 HG LEU A 6 7.213 -0.365 -4.225 1.00 2.17 H new ATOM 0 HD11 LEU A 6 7.679 -2.772 -3.949 1.00 2.16 H new ATOM 0 HD12 LEU A 6 5.976 -2.346 -3.660 1.00 2.16 H new ATOM 0 HD13 LEU A 6 6.450 -3.128 -5.186 1.00 2.16 H new ATOM 0 HD21 LEU A 6 9.054 -1.531 -5.477 1.00 4.02 H new ATOM 0 HD22 LEU A 6 7.951 -1.720 -6.861 1.00 4.02 H new ATOM 0 HD23 LEU A 6 8.445 -0.094 -6.332 1.00 4.02 H new ATOM 81 N GLU A 7 3.892 -3.523 -6.260 1.00 0.80 N ATOM 82 CA GLU A 7 3.027 -4.471 -5.608 1.00 0.76 C ATOM 83 C GLU A 7 3.717 -4.919 -4.327 1.00 0.73 C ATOM 84 O GLU A 7 4.839 -5.433 -4.390 1.00 0.85 O ATOM 85 CB GLU A 7 2.823 -5.644 -6.568 1.00 0.94 C ATOM 86 CG GLU A 7 1.413 -6.179 -6.435 1.00 1.06 C ATOM 87 CD GLU A 7 0.394 -5.240 -7.029 1.00 1.12 C ATOM 88 OE1 GLU A 7 0.782 -4.199 -7.599 1.00 2.44 O ATOM 89 OE2 GLU A 7 -0.785 -5.585 -6.837 1.00 2.17 O ATOM 0 H GLU A 7 4.419 -3.916 -7.040 1.00 0.80 H new ATOM 0 HA GLU A 7 2.055 -4.046 -5.356 1.00 0.76 H new ATOM 0 HB2 GLU A 7 3.004 -5.322 -7.593 1.00 0.94 H new ATOM 0 HB3 GLU A 7 3.543 -6.433 -6.350 1.00 0.94 H new ATOM 0 HG2 GLU A 7 1.345 -7.148 -6.930 1.00 1.06 H new ATOM 0 HG3 GLU A 7 1.185 -6.342 -5.382 1.00 1.06 H new ATOM 96 N LEU A 8 3.065 -4.740 -3.177 1.00 0.66 N ATOM 97 CA LEU A 8 3.546 -5.291 -1.921 1.00 0.67 C ATOM 98 C LEU A 8 2.481 -6.196 -1.306 1.00 0.56 C ATOM 99 O LEU A 8 1.285 -5.938 -1.452 1.00 0.57 O ATOM 100 CB LEU A 8 4.097 -4.187 -0.999 1.00 0.91 C ATOM 101 CG LEU A 8 3.196 -2.980 -0.682 1.00 0.75 C ATOM 102 CD1 LEU A 8 2.152 -3.309 0.390 1.00 1.77 C ATOM 103 CD2 LEU A 8 4.080 -1.853 -0.138 1.00 1.75 C ATOM 0 H LEU A 8 2.196 -4.212 -3.096 1.00 0.66 H new ATOM 0 HA LEU A 8 4.406 -5.937 -2.097 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.374 -4.652 -0.053 1.00 0.91 H new ATOM 0 HB3 LEU A 8 5.015 -3.807 -1.448 1.00 0.91 H new ATOM 0 HG LEU A 8 2.677 -2.696 -1.598 1.00 0.75 H new ATOM 0 HD11 LEU A 8 1.538 -2.429 0.582 1.00 1.77 H new ATOM 0 HD12 LEU A 8 1.518 -4.125 0.042 1.00 1.77 H new ATOM 0 HD13 LEU A 8 2.656 -3.608 1.309 1.00 1.77 H new ATOM 0 HD21 LEU A 8 3.462 -0.986 0.094 1.00 1.75 H new ATOM 0 HD22 LEU A 8 4.585 -2.191 0.767 1.00 1.75 H new ATOM 0 HD23 LEU A 8 4.823 -1.579 -0.887 1.00 1.75 H new ATOM 115 N VAL A 9 2.920 -7.265 -0.635 1.00 0.55 N ATOM 116 CA VAL A 9 2.068 -8.029 0.262 1.00 0.56 C ATOM 117 C VAL A 9 1.978 -7.217 1.554 1.00 0.60 C ATOM 118 O VAL A 9 2.960 -6.573 1.930 1.00 0.78 O ATOM 119 CB VAL A 9 2.605 -9.462 0.466 1.00 0.68 C ATOM 120 CG1 VAL A 9 3.910 -9.532 1.266 1.00 1.93 C ATOM 121 CG2 VAL A 9 1.560 -10.355 1.145 1.00 1.74 C ATOM 0 H VAL A 9 3.874 -7.619 -0.702 1.00 0.55 H new ATOM 0 HA VAL A 9 1.069 -8.176 -0.149 1.00 0.56 H new ATOM 0 HB VAL A 9 2.820 -9.824 -0.539 1.00 0.68 H new ATOM 0 HG11 VAL A 9 4.221 -10.572 1.365 1.00 1.93 H new ATOM 0 HG12 VAL A 9 4.686 -8.970 0.747 1.00 1.93 H new ATOM 0 HG13 VAL A 9 3.753 -9.104 2.256 1.00 1.93 H new ATOM 0 HG21 VAL A 9 1.967 -11.358 1.275 1.00 1.74 H new ATOM 0 HG22 VAL A 9 1.303 -9.939 2.119 1.00 1.74 H new ATOM 0 HG23 VAL A 9 0.665 -10.405 0.524 1.00 1.74 H new ATOM 131 N VAL A 10 0.804 -7.206 2.188 1.00 0.59 N ATOM 132 CA VAL A 10 0.498 -6.422 3.375 1.00 0.68 C ATOM 133 C VAL A 10 -0.310 -7.291 4.339 1.00 0.85 C ATOM 134 O VAL A 10 -1.522 -7.427 4.199 1.00 1.59 O ATOM 135 CB VAL A 10 -0.190 -5.103 2.973 1.00 1.04 C ATOM 136 CG1 VAL A 10 -1.530 -5.236 2.239 1.00 2.16 C ATOM 137 CG2 VAL A 10 -0.360 -4.199 4.197 1.00 2.22 C ATOM 0 H VAL A 10 0.013 -7.767 1.872 1.00 0.59 H new ATOM 0 HA VAL A 10 1.404 -6.124 3.903 1.00 0.68 H new ATOM 0 HB VAL A 10 0.487 -4.660 2.242 1.00 1.04 H new ATOM 0 HG11 VAL A 10 -1.918 -4.244 2.008 1.00 2.16 H new ATOM 0 HG12 VAL A 10 -1.384 -5.793 1.314 1.00 2.16 H new ATOM 0 HG13 VAL A 10 -2.241 -5.765 2.873 1.00 2.16 H new ATOM 0 HG21 VAL A 10 -0.847 -3.271 3.899 1.00 2.22 H new ATOM 0 HG22 VAL A 10 -0.972 -4.707 4.942 1.00 2.22 H new ATOM 0 HG23 VAL A 10 0.618 -3.975 4.622 1.00 2.22 H new ATOM 147 N ARG A 11 0.374 -7.919 5.299 1.00 0.51 N ATOM 148 CA ARG A 11 -0.222 -8.878 6.212 1.00 0.61 C ATOM 149 C ARG A 11 -0.588 -8.219 7.543 1.00 0.54 C ATOM 150 O ARG A 11 0.140 -7.358 8.041 1.00 0.72 O ATOM 151 CB ARG A 11 0.697 -10.094 6.384 1.00 0.83 C ATOM 152 CG ARG A 11 1.951 -9.849 7.227 1.00 1.46 C ATOM 153 CD ARG A 11 2.785 -11.131 7.354 1.00 1.56 C ATOM 154 NE ARG A 11 3.740 -11.048 8.470 1.00 3.10 N ATOM 155 CZ ARG A 11 3.473 -11.251 9.771 1.00 4.44 C ATOM 156 NH1 ARG A 11 2.252 -11.654 10.141 1.00 4.93 N ATOM 157 NH2 ARG A 11 4.409 -11.045 10.700 1.00 5.92 N ATOM 0 H ARG A 11 1.370 -7.769 5.460 1.00 0.51 H new ATOM 0 HA ARG A 11 -1.156 -9.240 5.783 1.00 0.61 H new ATOM 0 HB2 ARG A 11 0.124 -10.901 6.840 1.00 0.83 H new ATOM 0 HB3 ARG A 11 1.004 -10.440 5.397 1.00 0.83 H new ATOM 0 HG2 ARG A 11 2.553 -9.063 6.771 1.00 1.46 H new ATOM 0 HG3 ARG A 11 1.665 -9.497 8.218 1.00 1.46 H new ATOM 0 HD2 ARG A 11 2.122 -11.983 7.504 1.00 1.56 H new ATOM 0 HD3 ARG A 11 3.326 -11.308 6.424 1.00 1.56 H new ATOM 0 HE ARG A 11 4.703 -10.812 8.232 1.00 3.10 H new ATOM 0 HH11 ARG A 11 1.530 -11.805 9.437 1.00 4.93 H new ATOM 0 HH12 ARG A 11 2.043 -11.810 11.127 1.00 4.93 H new ATOM 0 HH21 ARG A 11 5.339 -10.730 10.425 1.00 5.92 H new ATOM 0 HH22 ARG A 11 4.194 -11.203 11.684 1.00 5.92 H new ATOM 171 N GLY A 12 -1.711 -8.652 8.123 1.00 0.65 N ATOM 172 CA GLY A 12 -2.202 -8.199 9.419 1.00 0.80 C ATOM 173 C GLY A 12 -3.620 -7.648 9.299 1.00 0.97 C ATOM 174 O GLY A 12 -4.434 -7.818 10.204 1.00 1.64 O ATOM 0 H GLY A 12 -2.318 -9.347 7.688 1.00 0.65 H new ATOM 0 HA2 GLY A 12 -2.188 -9.027 10.128 1.00 0.80 H new ATOM 0 HA3 GLY A 12 -1.540 -7.429 9.815 1.00 0.80 H new ATOM 178 N MET A 13 -3.916 -6.973 8.187 1.00 0.81 N ATOM 179 CA MET A 13 -5.224 -6.385 7.960 1.00 1.05 C ATOM 180 C MET A 13 -6.324 -7.445 7.857 1.00 0.97 C ATOM 181 O MET A 13 -6.080 -8.576 7.441 1.00 1.34 O ATOM 182 CB MET A 13 -5.199 -5.471 6.735 1.00 1.61 C ATOM 183 CG MET A 13 -4.772 -6.219 5.481 1.00 0.88 C ATOM 184 SD MET A 13 -5.323 -5.413 3.973 1.00 1.31 S ATOM 185 CE MET A 13 -4.961 -6.787 2.896 1.00 1.17 C ATOM 0 H MET A 13 -3.254 -6.823 7.425 1.00 0.81 H new ATOM 0 HA MET A 13 -5.467 -5.775 8.830 1.00 1.05 H new ATOM 0 HB2 MET A 13 -6.189 -5.041 6.582 1.00 1.61 H new ATOM 0 HB3 MET A 13 -4.515 -4.642 6.914 1.00 1.61 H new ATOM 0 HG2 MET A 13 -3.685 -6.305 5.466 1.00 0.88 H new ATOM 0 HG3 MET A 13 -5.172 -7.233 5.513 1.00 0.88 H new ATOM 0 HE1 MET A 13 -5.106 -6.485 1.859 1.00 1.17 H new ATOM 0 HE2 MET A 13 -3.927 -7.100 3.041 1.00 1.17 H new ATOM 0 HE3 MET A 13 -5.628 -7.617 3.129 1.00 1.17 H new ATOM 195 N THR A 14 -7.552 -7.051 8.195 1.00 0.89 N ATOM 196 CA THR A 14 -8.748 -7.838 7.972 1.00 1.15 C ATOM 197 C THR A 14 -9.927 -6.874 7.853 1.00 1.45 C ATOM 198 O THR A 14 -9.917 -5.808 8.468 1.00 3.07 O ATOM 199 CB THR A 14 -8.933 -8.868 9.099 1.00 1.31 C ATOM 200 OG1 THR A 14 -10.115 -9.617 8.888 1.00 2.22 O ATOM 201 CG2 THR A 14 -8.970 -8.229 10.493 1.00 1.20 C ATOM 0 H THR A 14 -7.739 -6.153 8.642 1.00 0.89 H new ATOM 0 HA THR A 14 -8.672 -8.413 7.049 1.00 1.15 H new ATOM 0 HB THR A 14 -8.063 -9.524 9.067 1.00 1.31 H new ATOM 0 HG1 THR A 14 -10.896 -9.037 9.009 1.00 2.22 H new ATOM 0 HG21 THR A 14 -9.103 -9.006 11.246 1.00 1.20 H new ATOM 0 HG22 THR A 14 -8.034 -7.702 10.677 1.00 1.20 H new ATOM 0 HG23 THR A 14 -9.800 -7.525 10.548 1.00 1.20 H new ATOM 209 N CYS A 15 -10.931 -7.264 7.067 1.00 0.96 N ATOM 210 CA CYS A 15 -12.193 -6.555 6.892 1.00 0.99 C ATOM 211 C CYS A 15 -12.027 -5.246 6.109 1.00 0.89 C ATOM 212 O CYS A 15 -10.976 -4.598 6.140 1.00 1.12 O ATOM 213 CB CYS A 15 -12.922 -6.322 8.228 1.00 1.29 C ATOM 214 SG CYS A 15 -13.216 -7.876 9.115 1.00 2.34 S ATOM 0 H CYS A 15 -10.882 -8.119 6.513 1.00 0.96 H new ATOM 0 HA CYS A 15 -12.824 -7.209 6.290 1.00 0.99 H new ATOM 0 HB2 CYS A 15 -12.330 -5.653 8.853 1.00 1.29 H new ATOM 0 HB3 CYS A 15 -13.874 -5.825 8.041 1.00 1.29 H new ATOM 0 HG CYS A 15 -13.830 -7.628 10.234 1.00 2.34 H new ATOM 220 N ALA A 16 -13.106 -4.866 5.409 1.00 0.88 N ATOM 221 CA ALA A 16 -13.214 -3.689 4.546 1.00 0.92 C ATOM 222 C ALA A 16 -12.593 -2.440 5.176 1.00 1.02 C ATOM 223 O ALA A 16 -12.002 -1.614 4.487 1.00 1.49 O ATOM 224 CB ALA A 16 -14.689 -3.440 4.220 1.00 1.13 C ATOM 0 H ALA A 16 -13.972 -5.404 5.434 1.00 0.88 H new ATOM 0 HA ALA A 16 -12.654 -3.891 3.633 1.00 0.92 H new ATOM 0 HB1 ALA A 16 -14.777 -2.564 3.577 1.00 1.13 H new ATOM 0 HB2 ALA A 16 -15.100 -4.309 3.707 1.00 1.13 H new ATOM 0 HB3 ALA A 16 -15.242 -3.269 5.144 1.00 1.13 H new ATOM 230 N SER A 17 -12.718 -2.318 6.494 1.00 0.85 N ATOM 231 CA SER A 17 -12.091 -1.296 7.300 1.00 0.88 C ATOM 232 C SER A 17 -10.572 -1.239 7.104 1.00 0.83 C ATOM 233 O SER A 17 -10.047 -0.232 6.641 1.00 0.96 O ATOM 234 CB SER A 17 -12.457 -1.611 8.751 1.00 0.99 C ATOM 235 OG SER A 17 -12.554 -3.019 8.932 1.00 1.36 O ATOM 0 H SER A 17 -13.286 -2.961 7.046 1.00 0.85 H new ATOM 0 HA SER A 17 -12.449 -0.310 7.004 1.00 0.88 H new ATOM 0 HB2 SER A 17 -11.703 -1.200 9.423 1.00 0.99 H new ATOM 0 HB3 SER A 17 -13.404 -1.137 9.007 1.00 0.99 H new ATOM 0 HG SER A 17 -12.787 -3.214 9.864 1.00 1.36 H new ATOM 241 N CYS A 18 -9.834 -2.283 7.493 1.00 0.78 N ATOM 242 CA CYS A 18 -8.375 -2.213 7.522 1.00 0.61 C ATOM 243 C CYS A 18 -7.894 -2.142 6.085 1.00 0.55 C ATOM 244 O CYS A 18 -6.994 -1.373 5.750 1.00 0.64 O ATOM 245 CB CYS A 18 -7.772 -3.445 8.193 1.00 0.69 C ATOM 246 SG CYS A 18 -8.176 -3.524 9.954 1.00 1.26 S ATOM 0 H CYS A 18 -10.222 -3.179 7.789 1.00 0.78 H new ATOM 0 HA CYS A 18 -8.065 -1.338 8.093 1.00 0.61 H new ATOM 0 HB2 CYS A 18 -8.138 -4.344 7.697 1.00 0.69 H new ATOM 0 HB3 CYS A 18 -6.689 -3.431 8.070 1.00 0.69 H new ATOM 0 HG CYS A 18 -9.066 -4.450 10.154 1.00 1.26 H new ATOM 252 N VAL A 19 -8.563 -2.939 5.249 1.00 0.60 N ATOM 253 CA VAL A 19 -8.443 -2.928 3.811 1.00 0.78 C ATOM 254 C VAL A 19 -8.410 -1.495 3.296 1.00 0.93 C ATOM 255 O VAL A 19 -7.372 -1.029 2.824 1.00 1.08 O ATOM 256 CB VAL A 19 -9.617 -3.731 3.242 1.00 0.75 C ATOM 257 CG1 VAL A 19 -9.896 -3.476 1.761 1.00 1.00 C ATOM 258 CG2 VAL A 19 -9.361 -5.213 3.484 1.00 0.87 C ATOM 0 H VAL A 19 -9.229 -3.636 5.582 1.00 0.60 H new ATOM 0 HA VAL A 19 -7.510 -3.389 3.488 1.00 0.78 H new ATOM 0 HB VAL A 19 -10.513 -3.395 3.765 1.00 0.75 H new ATOM 0 HG11 VAL A 19 -10.742 -4.084 1.440 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -10.129 -2.422 1.611 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -9.016 -3.740 1.174 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.190 -5.796 3.083 1.00 0.87 H new ATOM 0 HG22 VAL A 19 -8.437 -5.508 2.988 1.00 0.87 H new ATOM 0 HG23 VAL A 19 -9.273 -5.397 4.555 1.00 0.87 H new ATOM 268 N HIS A 20 -9.535 -0.784 3.411 1.00 0.92 N ATOM 269 CA HIS A 20 -9.602 0.546 2.850 1.00 1.09 C ATOM 270 C HIS A 20 -8.715 1.520 3.637 1.00 1.08 C ATOM 271 O HIS A 20 -8.375 2.579 3.126 1.00 1.15 O ATOM 272 CB HIS A 20 -11.035 1.006 2.528 1.00 1.27 C ATOM 273 CG HIS A 20 -11.946 1.396 3.660 1.00 1.32 C ATOM 274 ND1 HIS A 20 -11.570 1.782 4.913 1.00 1.86 N flip ATOM 275 CD2 HIS A 20 -13.283 1.694 3.532 1.00 1.22 C flip ATOM 276 CE1 HIS A 20 -12.678 2.312 5.571 1.00 1.75 C flip ATOM 277 NE2 HIS A 20 -13.686 2.238 4.692 1.00 1.40 N flip ATOM 0 H HIS A 20 -10.384 -1.105 3.876 1.00 0.92 H new ATOM 0 HA HIS A 20 -9.160 0.527 1.854 1.00 1.09 H new ATOM 0 HB2 HIS A 20 -10.963 1.860 1.854 1.00 1.27 H new ATOM 0 HB3 HIS A 20 -11.522 0.203 1.975 1.00 1.27 H new ATOM 0 HD2 HIS A 20 -13.896 1.522 2.659 1.00 1.22 H new ATOM 0 HE1 HIS A 20 -12.716 2.701 6.578 1.00 1.75 H new ATOM 0 HE2 HIS A 20 -14.637 2.554 4.880 1.00 1.40 H new ATOM 285 N LYS A 21 -8.347 1.204 4.890 1.00 0.97 N ATOM 286 CA LYS A 21 -7.604 2.124 5.740 1.00 0.83 C ATOM 287 C LYS A 21 -6.218 2.332 5.151 1.00 0.71 C ATOM 288 O LYS A 21 -5.729 3.458 5.121 1.00 0.69 O ATOM 289 CB LYS A 21 -7.534 1.612 7.189 1.00 0.69 C ATOM 290 CG LYS A 21 -6.918 2.637 8.151 1.00 0.77 C ATOM 291 CD LYS A 21 -6.966 2.106 9.594 1.00 1.50 C ATOM 292 CE LYS A 21 -6.714 3.232 10.611 1.00 1.93 C ATOM 293 NZ LYS A 21 -6.586 2.722 11.994 1.00 3.08 N ATOM 0 H LYS A 21 -8.558 0.309 5.331 1.00 0.97 H new ATOM 0 HA LYS A 21 -8.122 3.083 5.774 1.00 0.83 H new ATOM 0 HB2 LYS A 21 -8.538 1.358 7.529 1.00 0.69 H new ATOM 0 HB3 LYS A 21 -6.947 0.694 7.218 1.00 0.69 H new ATOM 0 HG2 LYS A 21 -5.886 2.841 7.865 1.00 0.77 H new ATOM 0 HG3 LYS A 21 -7.460 3.581 8.085 1.00 0.77 H new ATOM 0 HD2 LYS A 21 -7.938 1.651 9.785 1.00 1.50 H new ATOM 0 HD3 LYS A 21 -6.218 1.324 9.721 1.00 1.50 H new ATOM 0 HE2 LYS A 21 -5.805 3.768 10.338 1.00 1.93 H new ATOM 0 HE3 LYS A 21 -7.533 3.950 10.565 1.00 1.93 H new ATOM 0 HZ1 LYS A 21 -6.417 3.517 12.643 1.00 3.08 H new ATOM 0 HZ2 LYS A 21 -7.463 2.233 12.266 1.00 3.08 H new ATOM 0 HZ3 LYS A 21 -5.788 2.057 12.046 1.00 3.08 H new ATOM 307 N ILE A 22 -5.594 1.249 4.684 1.00 0.67 N ATOM 308 CA ILE A 22 -4.307 1.310 4.011 1.00 0.67 C ATOM 309 C ILE A 22 -4.399 2.317 2.858 1.00 0.77 C ATOM 310 O ILE A 22 -3.779 3.378 2.910 1.00 0.68 O ATOM 311 CB ILE A 22 -3.896 -0.107 3.569 1.00 0.66 C ATOM 312 CG1 ILE A 22 -3.586 -0.953 4.811 1.00 0.58 C ATOM 313 CG2 ILE A 22 -2.676 -0.076 2.636 1.00 0.76 C ATOM 314 CD1 ILE A 22 -3.620 -2.452 4.533 1.00 0.60 C ATOM 0 H ILE A 22 -5.973 0.305 4.765 1.00 0.67 H new ATOM 0 HA ILE A 22 -3.521 1.664 4.678 1.00 0.67 H new ATOM 0 HB ILE A 22 -4.724 -0.548 3.014 1.00 0.66 H new ATOM 0 HG12 ILE A 22 -2.602 -0.682 5.192 1.00 0.58 H new ATOM 0 HG13 ILE A 22 -4.307 -0.718 5.594 1.00 0.58 H new ATOM 0 HG21 ILE A 22 -2.415 -1.093 2.345 1.00 0.76 H new ATOM 0 HG22 ILE A 22 -2.913 0.507 1.746 1.00 0.76 H new ATOM 0 HG23 ILE A 22 -1.833 0.381 3.154 1.00 0.76 H new ATOM 0 HD11 ILE A 22 -3.393 -2.997 5.449 1.00 0.60 H new ATOM 0 HD12 ILE A 22 -4.612 -2.734 4.179 1.00 0.60 H new ATOM 0 HD13 ILE A 22 -2.880 -2.698 3.772 1.00 0.60 H new ATOM 326 N GLU A 23 -5.197 2.011 1.838 1.00 0.96 N ATOM 327 CA GLU A 23 -5.361 2.870 0.672 1.00 1.02 C ATOM 328 C GLU A 23 -5.766 4.293 1.062 1.00 0.87 C ATOM 329 O GLU A 23 -5.075 5.253 0.721 1.00 0.78 O ATOM 330 CB GLU A 23 -6.314 2.224 -0.347 1.00 1.33 C ATOM 331 CG GLU A 23 -7.612 1.637 0.183 1.00 0.92 C ATOM 332 CD GLU A 23 -8.263 0.666 -0.809 1.00 1.84 C ATOM 333 OE1 GLU A 23 -7.542 -0.219 -1.331 1.00 3.14 O ATOM 334 OE2 GLU A 23 -9.489 0.811 -0.997 1.00 2.37 O ATOM 0 H GLU A 23 -5.750 1.155 1.799 1.00 0.96 H new ATOM 0 HA GLU A 23 -4.393 2.970 0.180 1.00 1.02 H new ATOM 0 HB2 GLU A 23 -6.565 2.975 -1.096 1.00 1.33 H new ATOM 0 HB3 GLU A 23 -5.771 1.431 -0.860 1.00 1.33 H new ATOM 0 HG2 GLU A 23 -7.416 1.117 1.121 1.00 0.92 H new ATOM 0 HG3 GLU A 23 -8.309 2.445 0.406 1.00 0.92 H new ATOM 341 N SER A 24 -6.866 4.430 1.799 1.00 0.92 N ATOM 342 CA SER A 24 -7.399 5.706 2.257 1.00 0.90 C ATOM 343 C SER A 24 -6.331 6.518 2.999 1.00 0.69 C ATOM 344 O SER A 24 -6.272 7.733 2.843 1.00 0.74 O ATOM 345 CB SER A 24 -8.681 5.483 3.082 1.00 1.13 C ATOM 346 OG SER A 24 -9.285 6.713 3.430 1.00 1.34 O ATOM 0 H SER A 24 -7.425 3.632 2.101 1.00 0.92 H new ATOM 0 HA SER A 24 -7.681 6.308 1.393 1.00 0.90 H new ATOM 0 HB2 SER A 24 -9.384 4.878 2.510 1.00 1.13 H new ATOM 0 HB3 SER A 24 -8.442 4.923 3.986 1.00 1.13 H new ATOM 0 HG SER A 24 -10.097 6.543 3.952 1.00 1.34 H new ATOM 352 N SER A 25 -5.452 5.869 3.770 1.00 0.64 N ATOM 353 CA SER A 25 -4.331 6.545 4.404 1.00 0.51 C ATOM 354 C SER A 25 -3.295 6.962 3.352 1.00 0.47 C ATOM 355 O SER A 25 -3.033 8.148 3.164 1.00 0.66 O ATOM 356 CB SER A 25 -3.728 5.652 5.497 1.00 0.45 C ATOM 357 OG SER A 25 -2.732 6.372 6.198 1.00 0.83 O ATOM 0 H SER A 25 -5.502 4.869 3.967 1.00 0.64 H new ATOM 0 HA SER A 25 -4.681 7.458 4.886 1.00 0.51 H new ATOM 0 HB2 SER A 25 -4.507 5.325 6.185 1.00 0.45 H new ATOM 0 HB3 SER A 25 -3.298 4.755 5.052 1.00 0.45 H new ATOM 0 HG SER A 25 -2.891 6.297 7.162 1.00 0.83 H new ATOM 363 N LEU A 26 -2.709 5.991 2.648 1.00 0.50 N ATOM 364 CA LEU A 26 -1.611 6.218 1.713 1.00 0.60 C ATOM 365 C LEU A 26 -1.943 7.304 0.697 1.00 0.70 C ATOM 366 O LEU A 26 -1.132 8.192 0.440 1.00 0.75 O ATOM 367 CB LEU A 26 -1.292 4.920 0.977 1.00 0.59 C ATOM 368 CG LEU A 26 -0.386 3.949 1.743 1.00 0.78 C ATOM 369 CD1 LEU A 26 -0.503 3.936 3.272 1.00 2.21 C ATOM 370 CD2 LEU A 26 -0.669 2.549 1.205 1.00 2.26 C ATOM 0 H LEU A 26 -2.990 5.013 2.714 1.00 0.50 H new ATOM 0 HA LEU A 26 -0.748 6.551 2.290 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -2.228 4.413 0.743 1.00 0.59 H new ATOM 0 HB3 LEU A 26 -0.816 5.165 0.027 1.00 0.59 H new ATOM 0 HG LEU A 26 0.632 4.298 1.570 1.00 0.78 H new ATOM 0 HD11 LEU A 26 0.193 3.205 3.684 1.00 2.21 H new ATOM 0 HD12 LEU A 26 -0.265 4.925 3.664 1.00 2.21 H new ATOM 0 HD13 LEU A 26 -1.521 3.669 3.557 1.00 2.21 H new ATOM 0 HD21 LEU A 26 -0.042 1.825 1.726 1.00 2.26 H new ATOM 0 HD22 LEU A 26 -1.718 2.302 1.366 1.00 2.26 H new ATOM 0 HD23 LEU A 26 -0.449 2.518 0.138 1.00 2.26 H new ATOM 382 N THR A 27 -3.137 7.243 0.111 1.00 0.80 N ATOM 383 CA THR A 27 -3.578 8.212 -0.883 1.00 0.92 C ATOM 384 C THR A 27 -3.385 9.653 -0.377 1.00 1.01 C ATOM 385 O THR A 27 -3.031 10.541 -1.154 1.00 1.75 O ATOM 386 CB THR A 27 -5.023 7.896 -1.303 1.00 0.94 C ATOM 387 OG1 THR A 27 -5.853 7.734 -0.174 1.00 1.56 O ATOM 388 CG2 THR A 27 -5.077 6.637 -2.177 1.00 2.47 C ATOM 0 H THR A 27 -3.825 6.518 0.314 1.00 0.80 H new ATOM 0 HA THR A 27 -2.959 8.133 -1.776 1.00 0.92 H new ATOM 0 HB THR A 27 -5.389 8.741 -1.886 1.00 0.94 H new ATOM 0 HG1 THR A 27 -5.728 6.836 0.198 1.00 1.56 H new ATOM 0 HG21 THR A 27 -6.110 6.435 -2.461 1.00 2.47 H new ATOM 0 HG22 THR A 27 -4.478 6.791 -3.074 1.00 2.47 H new ATOM 0 HG23 THR A 27 -4.682 5.789 -1.618 1.00 2.47 H new ATOM 396 N LYS A 28 -3.537 9.885 0.934 1.00 0.71 N ATOM 397 CA LYS A 28 -3.408 11.209 1.528 1.00 0.66 C ATOM 398 C LYS A 28 -1.993 11.785 1.397 1.00 0.64 C ATOM 399 O LYS A 28 -1.829 12.997 1.531 1.00 0.85 O ATOM 400 CB LYS A 28 -3.836 11.195 3.001 1.00 0.80 C ATOM 401 CG LYS A 28 -5.172 10.471 3.230 1.00 2.00 C ATOM 402 CD LYS A 28 -6.157 11.267 4.093 1.00 3.11 C ATOM 403 CE LYS A 28 -5.634 11.397 5.532 1.00 3.32 C ATOM 404 NZ LYS A 28 -6.601 12.085 6.411 1.00 4.45 N ATOM 0 H LYS A 28 -3.754 9.152 1.609 1.00 0.71 H new ATOM 0 HA LYS A 28 -4.076 11.862 0.966 1.00 0.66 H new ATOM 0 HB2 LYS A 28 -3.060 10.711 3.595 1.00 0.80 H new ATOM 0 HB3 LYS A 28 -3.919 12.221 3.360 1.00 0.80 H new ATOM 0 HG2 LYS A 28 -5.633 10.262 2.265 1.00 2.00 H new ATOM 0 HG3 LYS A 28 -4.979 9.510 3.706 1.00 2.00 H new ATOM 0 HD2 LYS A 28 -6.306 12.258 3.664 1.00 3.11 H new ATOM 0 HD3 LYS A 28 -7.128 10.772 4.097 1.00 3.11 H new ATOM 0 HE2 LYS A 28 -5.422 10.405 5.932 1.00 3.32 H new ATOM 0 HE3 LYS A 28 -4.693 11.947 5.528 1.00 3.32 H new ATOM 0 HZ1 LYS A 28 -6.210 12.152 7.372 1.00 4.45 H new ATOM 0 HZ2 LYS A 28 -6.784 13.041 6.044 1.00 4.45 H new ATOM 0 HZ3 LYS A 28 -7.491 11.547 6.436 1.00 4.45 H new ATOM 418 N HIS A 29 -0.977 10.953 1.135 1.00 0.57 N ATOM 419 CA HIS A 29 0.375 11.433 0.866 1.00 0.72 C ATOM 420 C HIS A 29 0.386 12.339 -0.373 1.00 0.99 C ATOM 421 O HIS A 29 1.253 13.199 -0.491 1.00 2.46 O ATOM 422 CB HIS A 29 1.351 10.269 0.636 1.00 0.68 C ATOM 423 CG HIS A 29 1.691 9.396 1.825 1.00 0.63 C ATOM 424 ND1 HIS A 29 2.930 8.853 2.070 1.00 1.27 N ATOM 425 CD2 HIS A 29 0.818 8.767 2.670 1.00 0.99 C ATOM 426 CE1 HIS A 29 2.797 7.909 3.010 1.00 1.11 C ATOM 427 NE2 HIS A 29 1.522 7.821 3.423 1.00 0.79 N ATOM 0 H HIS A 29 -1.072 9.938 1.105 1.00 0.57 H new ATOM 0 HA HIS A 29 0.697 11.996 1.742 1.00 0.72 H new ATOM 0 HB2 HIS A 29 0.934 9.630 -0.142 1.00 0.68 H new ATOM 0 HB3 HIS A 29 2.281 10.682 0.245 1.00 0.68 H new ATOM 0 HD1 HIS A 29 3.801 9.123 1.614 1.00 1.27 H new ATOM 0 HD2 HIS A 29 -0.241 8.968 2.744 1.00 0.99 H new ATOM 0 HE1 HIS A 29 3.606 7.300 3.386 1.00 1.11 H new ATOM 435 N ARG A 30 -0.542 12.119 -1.318 1.00 1.15 N ATOM 436 CA ARG A 30 -0.663 12.824 -2.594 1.00 1.11 C ATOM 437 C ARG A 30 0.403 12.386 -3.603 1.00 1.02 C ATOM 438 O ARG A 30 0.378 12.848 -4.740 1.00 1.38 O ATOM 439 CB ARG A 30 -0.631 14.355 -2.442 1.00 1.28 C ATOM 440 CG ARG A 30 -1.523 14.899 -1.321 1.00 2.49 C ATOM 441 CD ARG A 30 -1.394 16.424 -1.252 1.00 2.76 C ATOM 442 NE ARG A 30 -2.048 16.950 -0.045 1.00 4.34 N ATOM 443 CZ ARG A 30 -1.979 18.226 0.365 1.00 5.10 C ATOM 444 NH1 ARG A 30 -1.325 19.127 -0.377 1.00 4.60 N ATOM 445 NH2 ARG A 30 -2.560 18.594 1.512 1.00 6.74 N ATOM 0 H ARG A 30 -1.263 11.407 -1.202 1.00 1.15 H new ATOM 0 HA ARG A 30 -1.645 12.545 -2.977 1.00 1.11 H new ATOM 0 HB2 ARG A 30 0.396 14.668 -2.256 1.00 1.28 H new ATOM 0 HB3 ARG A 30 -0.937 14.808 -3.385 1.00 1.28 H new ATOM 0 HG2 ARG A 30 -2.561 14.620 -1.502 1.00 2.49 H new ATOM 0 HG3 ARG A 30 -1.235 14.457 -0.367 1.00 2.49 H new ATOM 0 HD2 ARG A 30 -0.341 16.705 -1.252 1.00 2.76 H new ATOM 0 HD3 ARG A 30 -1.843 16.872 -2.139 1.00 2.76 H new ATOM 0 HE ARG A 30 -2.593 16.299 0.521 1.00 4.34 H new ATOM 0 HH11 ARG A 30 -0.881 18.843 -1.250 1.00 4.60 H new ATOM 0 HH12 ARG A 30 -1.270 20.098 -0.069 1.00 4.60 H new ATOM 0 HH21 ARG A 30 -3.056 17.904 2.076 1.00 6.74 H new ATOM 0 HH22 ARG A 30 -2.507 19.564 1.822 1.00 6.74 H new ATOM 459 N GLY A 31 1.310 11.481 -3.219 1.00 0.77 N ATOM 460 CA GLY A 31 2.381 10.999 -4.080 1.00 0.79 C ATOM 461 C GLY A 31 2.105 9.577 -4.570 1.00 0.67 C ATOM 462 O GLY A 31 3.028 8.832 -4.890 1.00 1.20 O ATOM 0 H GLY A 31 1.316 11.061 -2.289 1.00 0.77 H new ATOM 0 HA2 GLY A 31 2.490 11.666 -4.935 1.00 0.79 H new ATOM 0 HA3 GLY A 31 3.325 11.021 -3.536 1.00 0.79 H new ATOM 466 N ILE A 32 0.829 9.196 -4.613 1.00 0.69 N ATOM 467 CA ILE A 32 0.361 7.873 -4.985 1.00 0.63 C ATOM 468 C ILE A 32 -0.559 8.070 -6.189 1.00 0.83 C ATOM 469 O ILE A 32 -1.273 9.070 -6.244 1.00 1.19 O ATOM 470 CB ILE A 32 -0.426 7.263 -3.811 1.00 0.75 C ATOM 471 CG1 ILE A 32 0.274 7.304 -2.447 1.00 1.68 C ATOM 472 CG2 ILE A 32 -0.831 5.817 -4.103 1.00 2.06 C ATOM 473 CD1 ILE A 32 1.359 6.247 -2.288 1.00 2.57 C ATOM 0 H ILE A 32 0.066 9.831 -4.379 1.00 0.69 H new ATOM 0 HA ILE A 32 1.185 7.202 -5.226 1.00 0.63 H new ATOM 0 HB ILE A 32 -1.299 7.911 -3.731 1.00 0.75 H new ATOM 0 HG12 ILE A 32 0.715 8.290 -2.304 1.00 1.68 H new ATOM 0 HG13 ILE A 32 -0.470 7.170 -1.662 1.00 1.68 H new ATOM 0 HG21 ILE A 32 -1.385 5.416 -3.254 1.00 2.06 H new ATOM 0 HG22 ILE A 32 -1.460 5.788 -4.993 1.00 2.06 H new ATOM 0 HG23 ILE A 32 0.063 5.216 -4.270 1.00 2.06 H new ATOM 0 HD11 ILE A 32 1.811 6.335 -1.300 1.00 2.57 H new ATOM 0 HD12 ILE A 32 0.920 5.255 -2.399 1.00 2.57 H new ATOM 0 HD13 ILE A 32 2.124 6.393 -3.051 1.00 2.57 H new ATOM 485 N LEU A 33 -0.559 7.128 -7.133 1.00 0.77 N ATOM 486 CA LEU A 33 -1.497 7.118 -8.246 1.00 0.98 C ATOM 487 C LEU A 33 -2.691 6.243 -7.876 1.00 0.88 C ATOM 488 O LEU A 33 -3.831 6.645 -8.103 1.00 0.92 O ATOM 489 CB LEU A 33 -0.847 6.623 -9.549 1.00 1.20 C ATOM 490 CG LEU A 33 0.192 7.556 -10.197 1.00 1.31 C ATOM 491 CD1 LEU A 33 -0.289 9.008 -10.308 1.00 1.68 C ATOM 492 CD2 LEU A 33 1.556 7.506 -9.504 1.00 2.83 C ATOM 0 H LEU A 33 0.098 6.348 -7.143 1.00 0.77 H new ATOM 0 HA LEU A 33 -1.825 8.141 -8.430 1.00 0.98 H new ATOM 0 HB2 LEU A 33 -0.367 5.665 -9.348 1.00 1.20 H new ATOM 0 HB3 LEU A 33 -1.638 6.437 -10.275 1.00 1.20 H new ATOM 0 HG LEU A 33 0.315 7.167 -11.208 1.00 1.31 H new ATOM 0 HD11 LEU A 33 0.488 9.614 -10.773 1.00 1.68 H new ATOM 0 HD12 LEU A 33 -1.192 9.047 -10.917 1.00 1.68 H new ATOM 0 HD13 LEU A 33 -0.506 9.397 -9.313 1.00 1.68 H new ATOM 0 HD21 LEU A 33 2.245 8.185 -10.007 1.00 2.83 H new ATOM 0 HD22 LEU A 33 1.446 7.807 -8.462 1.00 2.83 H new ATOM 0 HD23 LEU A 33 1.950 6.491 -9.549 1.00 2.83 H new ATOM 504 N TYR A 34 -2.456 5.049 -7.316 1.00 0.79 N ATOM 505 CA TYR A 34 -3.539 4.178 -6.906 1.00 0.73 C ATOM 506 C TYR A 34 -3.060 3.234 -5.808 1.00 0.70 C ATOM 507 O TYR A 34 -1.875 2.920 -5.752 1.00 0.76 O ATOM 508 CB TYR A 34 -4.066 3.400 -8.117 1.00 0.82 C ATOM 509 CG TYR A 34 -5.503 2.975 -7.936 1.00 0.77 C ATOM 510 CD1 TYR A 34 -6.516 3.939 -8.079 1.00 1.94 C ATOM 511 CD2 TYR A 34 -5.808 1.707 -7.413 1.00 2.10 C ATOM 512 CE1 TYR A 34 -7.830 3.642 -7.686 1.00 2.25 C ATOM 513 CE2 TYR A 34 -7.123 1.413 -7.020 1.00 2.02 C ATOM 514 CZ TYR A 34 -8.136 2.376 -7.157 1.00 1.27 C ATOM 515 OH TYR A 34 -9.410 2.079 -6.781 1.00 1.65 O ATOM 0 H TYR A 34 -1.523 4.674 -7.141 1.00 0.79 H new ATOM 0 HA TYR A 34 -4.356 4.776 -6.504 1.00 0.73 H new ATOM 0 HB2 TYR A 34 -3.981 4.019 -9.010 1.00 0.82 H new ATOM 0 HB3 TYR A 34 -3.445 2.519 -8.280 1.00 0.82 H new ATOM 0 HD1 TYR A 34 -6.283 4.909 -8.492 1.00 1.94 H new ATOM 0 HD2 TYR A 34 -5.033 0.961 -7.314 1.00 2.10 H new ATOM 0 HE1 TYR A 34 -8.606 4.386 -7.790 1.00 2.25 H new ATOM 0 HE2 TYR A 34 -7.357 0.442 -6.610 1.00 2.02 H new ATOM 0 HH TYR A 34 -9.444 1.162 -6.438 1.00 1.65 H new ATOM 525 N CYS A 35 -3.993 2.781 -4.968 1.00 0.69 N ATOM 526 CA CYS A 35 -3.819 1.749 -3.955 1.00 0.73 C ATOM 527 C CYS A 35 -5.040 0.850 -4.095 1.00 0.73 C ATOM 528 O CYS A 35 -6.145 1.327 -3.852 1.00 1.10 O ATOM 529 CB CYS A 35 -3.792 2.362 -2.551 1.00 0.84 C ATOM 530 SG CYS A 35 -2.208 3.102 -2.136 1.00 2.57 S ATOM 0 H CYS A 35 -4.944 3.149 -4.981 1.00 0.69 H new ATOM 0 HA CYS A 35 -2.881 1.211 -4.089 1.00 0.73 H new ATOM 0 HB2 CYS A 35 -4.571 3.121 -2.477 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -4.028 1.590 -1.819 1.00 0.84 H new ATOM 0 HG CYS A 35 -2.404 4.213 -1.491 1.00 2.57 H new ATOM 536 N SER A 36 -4.859 -0.405 -4.526 1.00 0.69 N ATOM 537 CA SER A 36 -5.918 -1.409 -4.558 1.00 0.72 C ATOM 538 C SER A 36 -5.583 -2.488 -3.528 1.00 0.55 C ATOM 539 O SER A 36 -4.770 -3.370 -3.814 1.00 0.61 O ATOM 540 CB SER A 36 -6.083 -1.997 -5.972 1.00 0.98 C ATOM 541 OG SER A 36 -7.443 -2.298 -6.220 1.00 1.56 O ATOM 0 H SER A 36 -3.961 -0.751 -4.865 1.00 0.69 H new ATOM 0 HA SER A 36 -6.875 -0.952 -4.304 1.00 0.72 H new ATOM 0 HB2 SER A 36 -5.719 -1.286 -6.714 1.00 0.98 H new ATOM 0 HB3 SER A 36 -5.479 -2.899 -6.071 1.00 0.98 H new ATOM 0 HG SER A 36 -7.537 -2.669 -7.122 1.00 1.56 H new ATOM 547 N VAL A 37 -6.138 -2.400 -2.317 1.00 0.45 N ATOM 548 CA VAL A 37 -5.788 -3.310 -1.234 1.00 0.37 C ATOM 549 C VAL A 37 -6.715 -4.531 -1.266 1.00 0.44 C ATOM 550 O VAL A 37 -7.824 -4.508 -0.737 1.00 0.57 O ATOM 551 CB VAL A 37 -5.788 -2.532 0.093 1.00 0.48 C ATOM 552 CG1 VAL A 37 -5.314 -3.412 1.245 1.00 1.42 C ATOM 553 CG2 VAL A 37 -4.833 -1.332 0.019 1.00 1.88 C ATOM 0 H VAL A 37 -6.836 -1.701 -2.065 1.00 0.45 H new ATOM 0 HA VAL A 37 -4.780 -3.708 -1.352 1.00 0.37 H new ATOM 0 HB VAL A 37 -6.812 -2.201 0.264 1.00 0.48 H new ATOM 0 HG11 VAL A 37 -5.324 -2.836 2.171 1.00 1.42 H new ATOM 0 HG12 VAL A 37 -5.978 -4.270 1.344 1.00 1.42 H new ATOM 0 HG13 VAL A 37 -4.300 -3.759 1.045 1.00 1.42 H new ATOM 0 HG21 VAL A 37 -4.848 -0.796 0.968 1.00 1.88 H new ATOM 0 HG22 VAL A 37 -3.821 -1.684 -0.182 1.00 1.88 H new ATOM 0 HG23 VAL A 37 -5.150 -0.663 -0.781 1.00 1.88 H new ATOM 563 N ALA A 38 -6.273 -5.617 -1.910 1.00 0.54 N ATOM 564 CA ALA A 38 -7.131 -6.749 -2.217 1.00 0.60 C ATOM 565 C ALA A 38 -7.006 -7.817 -1.128 1.00 0.56 C ATOM 566 O ALA A 38 -6.156 -8.704 -1.211 1.00 0.59 O ATOM 567 CB ALA A 38 -6.784 -7.267 -3.613 1.00 0.73 C ATOM 0 H ALA A 38 -5.311 -5.728 -2.229 1.00 0.54 H new ATOM 0 HA ALA A 38 -8.179 -6.449 -2.228 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -7.422 -8.117 -3.855 1.00 0.73 H new ATOM 0 HB2 ALA A 38 -6.943 -6.475 -4.345 1.00 0.73 H new ATOM 0 HB3 ALA A 38 -5.740 -7.579 -3.636 1.00 0.73 H new ATOM 573 N LEU A 39 -7.878 -7.738 -0.114 1.00 0.57 N ATOM 574 CA LEU A 39 -7.952 -8.661 1.022 1.00 0.57 C ATOM 575 C LEU A 39 -7.674 -10.110 0.627 1.00 0.60 C ATOM 576 O LEU A 39 -6.837 -10.762 1.245 1.00 0.67 O ATOM 577 CB LEU A 39 -9.322 -8.540 1.709 1.00 0.79 C ATOM 578 CG LEU A 39 -9.440 -9.416 2.975 1.00 1.02 C ATOM 579 CD1 LEU A 39 -10.248 -8.691 4.057 1.00 1.46 C ATOM 580 CD2 LEU A 39 -10.132 -10.756 2.688 1.00 1.97 C ATOM 0 H LEU A 39 -8.579 -6.999 -0.062 1.00 0.57 H new ATOM 0 HA LEU A 39 -7.167 -8.375 1.722 1.00 0.57 H new ATOM 0 HB2 LEU A 39 -9.497 -7.498 1.977 1.00 0.79 H new ATOM 0 HB3 LEU A 39 -10.103 -8.824 1.003 1.00 0.79 H new ATOM 0 HG LEU A 39 -8.422 -9.605 3.315 1.00 1.02 H new ATOM 0 HD11 LEU A 39 -10.321 -9.323 4.942 1.00 1.46 H new ATOM 0 HD12 LEU A 39 -9.750 -7.757 4.318 1.00 1.46 H new ATOM 0 HD13 LEU A 39 -11.248 -8.476 3.681 1.00 1.46 H new ATOM 0 HD21 LEU A 39 -10.193 -11.338 3.607 1.00 1.97 H new ATOM 0 HD22 LEU A 39 -11.137 -10.572 2.308 1.00 1.97 H new ATOM 0 HD23 LEU A 39 -9.558 -11.310 1.945 1.00 1.97 H new ATOM 592 N ALA A 40 -8.367 -10.597 -0.407 1.00 0.77 N ATOM 593 CA ALA A 40 -8.296 -11.980 -0.869 1.00 1.00 C ATOM 594 C ALA A 40 -6.855 -12.457 -1.074 1.00 1.01 C ATOM 595 O ALA A 40 -6.547 -13.619 -0.826 1.00 1.27 O ATOM 596 CB ALA A 40 -9.086 -12.112 -2.173 1.00 1.22 C ATOM 0 H ALA A 40 -9.007 -10.024 -0.957 1.00 0.77 H new ATOM 0 HA ALA A 40 -8.730 -12.615 -0.096 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -9.038 -13.143 -2.525 1.00 1.22 H new ATOM 0 HB2 ALA A 40 -10.126 -11.837 -1.998 1.00 1.22 H new ATOM 0 HB3 ALA A 40 -8.658 -11.451 -2.926 1.00 1.22 H new ATOM 602 N THR A 41 -5.990 -11.561 -1.552 1.00 0.81 N ATOM 603 CA THR A 41 -4.587 -11.829 -1.837 1.00 0.80 C ATOM 604 C THR A 41 -3.683 -11.188 -0.771 1.00 0.75 C ATOM 605 O THR A 41 -2.522 -11.562 -0.628 1.00 1.17 O ATOM 606 CB THR A 41 -4.297 -11.414 -3.291 1.00 0.85 C ATOM 607 OG1 THR A 41 -2.931 -11.539 -3.623 1.00 1.60 O ATOM 608 CG2 THR A 41 -4.779 -10.012 -3.652 1.00 1.37 C ATOM 0 H THR A 41 -6.259 -10.599 -1.757 1.00 0.81 H new ATOM 0 HA THR A 41 -4.358 -12.893 -1.769 1.00 0.80 H new ATOM 0 HB THR A 41 -4.880 -12.118 -3.885 1.00 0.85 H new ATOM 0 HG1 THR A 41 -2.794 -11.266 -4.554 1.00 1.60 H new ATOM 0 HG21 THR A 41 -4.535 -9.800 -4.693 1.00 1.37 H new ATOM 0 HG22 THR A 41 -5.858 -9.951 -3.513 1.00 1.37 H new ATOM 0 HG23 THR A 41 -4.288 -9.282 -3.009 1.00 1.37 H new ATOM 616 N ASN A 42 -4.221 -10.256 0.029 1.00 0.57 N ATOM 617 CA ASN A 42 -3.484 -9.566 1.083 1.00 0.58 C ATOM 618 C ASN A 42 -2.316 -8.798 0.467 1.00 0.54 C ATOM 619 O ASN A 42 -1.221 -8.747 1.019 1.00 0.59 O ATOM 620 CB ASN A 42 -3.102 -10.536 2.227 1.00 0.67 C ATOM 621 CG ASN A 42 -3.867 -10.254 3.519 1.00 0.89 C ATOM 622 OD1 ASN A 42 -3.277 -9.983 4.559 1.00 2.46 O ATOM 623 ND2 ASN A 42 -5.193 -10.336 3.482 1.00 1.38 N ATOM 0 H ASN A 42 -5.195 -9.960 -0.044 1.00 0.57 H new ATOM 0 HA ASN A 42 -4.116 -8.821 1.565 1.00 0.58 H new ATOM 0 HB2 ASN A 42 -3.298 -11.560 1.910 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -2.032 -10.461 2.419 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -5.738 -10.172 4.329 1.00 1.38 H new ATOM 0 HD22 ASN A 42 -5.666 -10.563 2.607 1.00 1.38 H new ATOM 630 N LYS A 43 -2.585 -8.160 -0.677 1.00 0.57 N ATOM 631 CA LYS A 43 -1.649 -7.306 -1.386 1.00 0.52 C ATOM 632 C LYS A 43 -2.246 -5.910 -1.497 1.00 0.44 C ATOM 633 O LYS A 43 -3.465 -5.765 -1.611 1.00 0.50 O ATOM 634 CB LYS A 43 -1.250 -7.950 -2.735 1.00 0.57 C ATOM 635 CG LYS A 43 -1.214 -7.039 -3.975 1.00 0.53 C ATOM 636 CD LYS A 43 -2.612 -6.746 -4.558 1.00 0.70 C ATOM 637 CE LYS A 43 -3.008 -7.763 -5.633 1.00 0.66 C ATOM 638 NZ LYS A 43 -2.302 -7.558 -6.910 1.00 1.13 N ATOM 0 H LYS A 43 -3.490 -8.231 -1.142 1.00 0.57 H new ATOM 0 HA LYS A 43 -0.713 -7.201 -0.837 1.00 0.52 H new ATOM 0 HB2 LYS A 43 -0.262 -8.395 -2.616 1.00 0.57 H new ATOM 0 HB3 LYS A 43 -1.945 -8.765 -2.937 1.00 0.57 H new ATOM 0 HG2 LYS A 43 -0.733 -6.097 -3.711 1.00 0.53 H new ATOM 0 HG3 LYS A 43 -0.598 -7.507 -4.743 1.00 0.53 H new ATOM 0 HD2 LYS A 43 -3.350 -6.760 -3.756 1.00 0.70 H new ATOM 0 HD3 LYS A 43 -2.624 -5.743 -4.985 1.00 0.70 H new ATOM 0 HE2 LYS A 43 -2.801 -8.769 -5.267 1.00 0.66 H new ATOM 0 HE3 LYS A 43 -4.083 -7.702 -5.805 1.00 0.66 H new ATOM 0 HZ1 LYS A 43 -2.114 -8.479 -7.354 1.00 1.13 H new ATOM 0 HZ2 LYS A 43 -2.891 -6.982 -7.544 1.00 1.13 H new ATOM 0 HZ3 LYS A 43 -1.402 -7.068 -6.734 1.00 1.13 H new ATOM 652 N ALA A 44 -1.374 -4.901 -1.478 1.00 0.41 N ATOM 653 CA ALA A 44 -1.690 -3.561 -1.930 1.00 0.34 C ATOM 654 C ALA A 44 -1.100 -3.415 -3.321 1.00 0.33 C ATOM 655 O ALA A 44 0.123 -3.436 -3.477 1.00 0.39 O ATOM 656 CB ALA A 44 -1.127 -2.513 -0.968 1.00 0.39 C ATOM 0 H ALA A 44 -0.416 -5.001 -1.142 1.00 0.41 H new ATOM 0 HA ALA A 44 -2.768 -3.402 -1.957 1.00 0.34 H new ATOM 0 HB1 ALA A 44 -1.377 -1.516 -1.329 1.00 0.39 H new ATOM 0 HB2 ALA A 44 -1.558 -2.659 0.022 1.00 0.39 H new ATOM 0 HB3 ALA A 44 -0.043 -2.617 -0.911 1.00 0.39 H new ATOM 662 N HIS A 45 -1.972 -3.265 -4.321 1.00 0.34 N ATOM 663 CA HIS A 45 -1.537 -2.845 -5.636 1.00 0.39 C ATOM 664 C HIS A 45 -1.329 -1.353 -5.525 1.00 0.48 C ATOM 665 O HIS A 45 -2.290 -0.593 -5.651 1.00 0.56 O ATOM 666 CB HIS A 45 -2.554 -3.225 -6.730 1.00 0.41 C ATOM 667 CG HIS A 45 -2.031 -3.031 -8.134 1.00 0.51 C ATOM 668 ND1 HIS A 45 -1.950 -3.968 -9.147 1.00 0.66 N ATOM 669 CD2 HIS A 45 -1.488 -1.874 -8.609 1.00 0.69 C ATOM 670 CE1 HIS A 45 -1.392 -3.352 -10.207 1.00 0.71 C ATOM 671 NE2 HIS A 45 -1.120 -2.062 -9.942 1.00 0.74 N ATOM 0 H HIS A 45 -2.975 -3.429 -4.237 1.00 0.34 H new ATOM 0 HA HIS A 45 -0.619 -3.348 -5.940 1.00 0.39 H new ATOM 0 HB2 HIS A 45 -2.843 -4.268 -6.600 1.00 0.41 H new ATOM 0 HB3 HIS A 45 -3.455 -2.626 -6.601 1.00 0.41 H new ATOM 0 HD1 HIS A 45 -2.255 -4.940 -9.101 1.00 0.66 H new ATOM 0 HD2 HIS A 45 -1.363 -0.961 -8.046 1.00 0.69 H new ATOM 0 HE1 HIS A 45 -1.188 -3.834 -11.152 1.00 0.71 H new ATOM 679 N ILE A 46 -0.090 -0.941 -5.252 1.00 0.61 N ATOM 680 CA ILE A 46 0.252 0.462 -5.191 1.00 0.68 C ATOM 681 C ILE A 46 0.885 0.867 -6.511 1.00 0.76 C ATOM 682 O ILE A 46 2.005 0.466 -6.825 1.00 1.02 O ATOM 683 CB ILE A 46 1.146 0.806 -3.996 1.00 0.70 C ATOM 684 CG1 ILE A 46 0.603 0.105 -2.747 1.00 1.18 C ATOM 685 CG2 ILE A 46 1.123 2.335 -3.836 1.00 0.64 C ATOM 686 CD1 ILE A 46 1.308 0.573 -1.487 1.00 1.21 C ATOM 0 H ILE A 46 0.691 -1.572 -5.070 1.00 0.61 H new ATOM 0 HA ILE A 46 -0.662 1.035 -5.034 1.00 0.68 H new ATOM 0 HB ILE A 46 2.172 0.470 -4.146 1.00 0.70 H new ATOM 0 HG12 ILE A 46 -0.466 0.297 -2.658 1.00 1.18 H new ATOM 0 HG13 ILE A 46 0.725 -0.973 -2.853 1.00 1.18 H new ATOM 0 HG21 ILE A 46 1.750 2.622 -2.992 1.00 0.64 H new ATOM 0 HG22 ILE A 46 1.502 2.802 -4.745 1.00 0.64 H new ATOM 0 HG23 ILE A 46 0.100 2.667 -3.657 1.00 0.64 H new ATOM 0 HD11 ILE A 46 0.894 0.052 -0.624 1.00 1.21 H new ATOM 0 HD12 ILE A 46 2.374 0.357 -1.565 1.00 1.21 H new ATOM 0 HD13 ILE A 46 1.164 1.647 -1.367 1.00 1.21 H new ATOM 698 N LYS A 47 0.172 1.700 -7.261 1.00 0.76 N ATOM 699 CA LYS A 47 0.791 2.494 -8.293 1.00 0.71 C ATOM 700 C LYS A 47 1.231 3.796 -7.627 1.00 0.70 C ATOM 701 O LYS A 47 0.385 4.539 -7.130 1.00 0.74 O ATOM 702 CB LYS A 47 -0.191 2.707 -9.446 1.00 0.76 C ATOM 703 CG LYS A 47 -0.500 1.376 -10.152 1.00 0.90 C ATOM 704 CD LYS A 47 -0.598 1.607 -11.662 1.00 1.14 C ATOM 705 CE LYS A 47 -0.792 0.296 -12.432 1.00 2.24 C ATOM 706 NZ LYS A 47 -0.656 0.521 -13.885 1.00 2.87 N ATOM 0 H LYS A 47 -0.834 1.836 -7.167 1.00 0.76 H new ATOM 0 HA LYS A 47 1.659 2.005 -8.734 1.00 0.71 H new ATOM 0 HB2 LYS A 47 -1.114 3.146 -9.067 1.00 0.76 H new ATOM 0 HB3 LYS A 47 0.229 3.415 -10.161 1.00 0.76 H new ATOM 0 HG2 LYS A 47 0.281 0.648 -9.935 1.00 0.90 H new ATOM 0 HG3 LYS A 47 -1.435 0.962 -9.776 1.00 0.90 H new ATOM 0 HD2 LYS A 47 -1.431 2.278 -11.873 1.00 1.14 H new ATOM 0 HD3 LYS A 47 0.307 2.103 -12.012 1.00 1.14 H new ATOM 0 HE2 LYS A 47 -0.057 -0.438 -12.102 1.00 2.24 H new ATOM 0 HE3 LYS A 47 -1.776 -0.118 -12.213 1.00 2.24 H new ATOM 0 HZ1 LYS A 47 -0.352 -0.360 -14.346 1.00 2.87 H new ATOM 0 HZ2 LYS A 47 -1.572 0.819 -14.277 1.00 2.87 H new ATOM 0 HZ3 LYS A 47 0.052 1.263 -14.057 1.00 2.87 H new ATOM 720 N TYR A 48 2.540 4.050 -7.574 1.00 0.80 N ATOM 721 CA TYR A 48 3.133 5.260 -7.027 1.00 0.73 C ATOM 722 C TYR A 48 4.365 5.596 -7.865 1.00 0.87 C ATOM 723 O TYR A 48 5.116 4.696 -8.241 1.00 1.44 O ATOM 724 CB TYR A 48 3.456 5.085 -5.531 1.00 0.71 C ATOM 725 CG TYR A 48 4.708 4.293 -5.175 1.00 0.93 C ATOM 726 CD1 TYR A 48 5.987 4.841 -5.394 1.00 1.66 C ATOM 727 CD2 TYR A 48 4.606 3.043 -4.538 1.00 2.20 C ATOM 728 CE1 TYR A 48 7.133 4.062 -5.171 1.00 1.75 C ATOM 729 CE2 TYR A 48 5.763 2.371 -4.113 1.00 2.62 C ATOM 730 CZ TYR A 48 7.020 2.827 -4.525 1.00 1.70 C ATOM 731 OH TYR A 48 8.126 2.052 -4.353 1.00 2.03 O ATOM 0 H TYR A 48 3.236 3.392 -7.925 1.00 0.80 H new ATOM 0 HA TYR A 48 2.433 6.094 -7.080 1.00 0.73 H new ATOM 0 HB2 TYR A 48 3.546 6.076 -5.087 1.00 0.71 H new ATOM 0 HB3 TYR A 48 2.603 4.600 -5.056 1.00 0.71 H new ATOM 0 HD1 TYR A 48 6.086 5.861 -5.734 1.00 1.66 H new ATOM 0 HD2 TYR A 48 3.635 2.599 -4.375 1.00 2.20 H new ATOM 0 HE1 TYR A 48 8.100 4.416 -5.498 1.00 1.75 H new ATOM 0 HE2 TYR A 48 5.683 1.506 -3.471 1.00 2.62 H new ATOM 0 HH TYR A 48 8.906 2.505 -4.737 1.00 2.03 H new ATOM 741 N ASP A 49 4.596 6.877 -8.152 1.00 0.69 N ATOM 742 CA ASP A 49 5.776 7.289 -8.899 1.00 0.83 C ATOM 743 C ASP A 49 6.924 7.508 -7.907 1.00 0.66 C ATOM 744 O ASP A 49 6.803 8.390 -7.056 1.00 0.69 O ATOM 745 CB ASP A 49 5.464 8.562 -9.687 1.00 1.14 C ATOM 746 CG ASP A 49 6.550 8.864 -10.700 1.00 2.43 C ATOM 747 OD1 ASP A 49 7.649 8.276 -10.628 1.00 3.72 O ATOM 748 OD2 ASP A 49 6.313 9.670 -11.619 1.00 3.32 O ATOM 0 H ASP A 49 3.981 7.643 -7.878 1.00 0.69 H new ATOM 0 HA ASP A 49 6.071 6.521 -9.614 1.00 0.83 H new ATOM 0 HB2 ASP A 49 4.508 8.450 -10.198 1.00 1.14 H new ATOM 0 HB3 ASP A 49 5.362 9.402 -9.000 1.00 1.14 H new ATOM 753 N PRO A 50 8.011 6.716 -7.925 1.00 0.71 N ATOM 754 CA PRO A 50 9.042 6.792 -6.901 1.00 0.74 C ATOM 755 C PRO A 50 9.501 8.217 -6.616 1.00 0.98 C ATOM 756 O PRO A 50 9.534 8.613 -5.453 1.00 2.16 O ATOM 757 CB PRO A 50 10.179 5.864 -7.348 1.00 0.83 C ATOM 758 CG PRO A 50 9.865 5.560 -8.814 1.00 0.92 C ATOM 759 CD PRO A 50 8.343 5.672 -8.878 1.00 0.96 C ATOM 0 HA PRO A 50 8.645 6.462 -5.941 1.00 0.74 H new ATOM 0 HB2 PRO A 50 11.151 6.346 -7.241 1.00 0.83 H new ATOM 0 HB3 PRO A 50 10.207 4.953 -6.750 1.00 0.83 H new ATOM 0 HG2 PRO A 50 10.349 6.270 -9.485 1.00 0.92 H new ATOM 0 HG3 PRO A 50 10.208 4.566 -9.101 1.00 0.92 H new ATOM 0 HD2 PRO A 50 8.007 5.931 -9.882 1.00 0.96 H new ATOM 0 HD3 PRO A 50 7.865 4.729 -8.615 1.00 0.96 H new ATOM 767 N GLU A 51 9.817 8.995 -7.653 1.00 0.77 N ATOM 768 CA GLU A 51 10.395 10.317 -7.468 1.00 0.87 C ATOM 769 C GLU A 51 9.506 11.275 -6.660 1.00 0.85 C ATOM 770 O GLU A 51 10.041 12.226 -6.092 1.00 1.16 O ATOM 771 CB GLU A 51 10.856 10.906 -8.809 1.00 1.17 C ATOM 772 CG GLU A 51 9.742 11.062 -9.850 1.00 1.32 C ATOM 773 CD GLU A 51 10.298 11.635 -11.146 1.00 2.25 C ATOM 774 OE1 GLU A 51 10.658 12.829 -11.135 1.00 3.31 O ATOM 775 OE2 GLU A 51 10.360 10.859 -12.126 1.00 2.98 O ATOM 0 H GLU A 51 9.680 8.728 -8.628 1.00 0.77 H new ATOM 0 HA GLU A 51 11.281 10.188 -6.846 1.00 0.87 H new ATOM 0 HB2 GLU A 51 11.306 11.882 -8.627 1.00 1.17 H new ATOM 0 HB3 GLU A 51 11.636 10.267 -9.223 1.00 1.17 H new ATOM 0 HG2 GLU A 51 9.279 10.094 -10.043 1.00 1.32 H new ATOM 0 HG3 GLU A 51 8.962 11.717 -9.461 1.00 1.32 H new ATOM 782 N ILE A 52 8.187 11.042 -6.569 1.00 0.91 N ATOM 783 CA ILE A 52 7.312 11.913 -5.783 1.00 1.08 C ATOM 784 C ILE A 52 7.039 11.365 -4.379 1.00 1.00 C ATOM 785 O ILE A 52 6.369 12.047 -3.605 1.00 1.53 O ATOM 786 CB ILE A 52 6.015 12.281 -6.535 1.00 1.26 C ATOM 787 CG1 ILE A 52 4.974 11.152 -6.561 1.00 1.97 C ATOM 788 CG2 ILE A 52 6.348 12.778 -7.949 1.00 1.74 C ATOM 789 CD1 ILE A 52 3.681 11.540 -7.288 1.00 2.53 C ATOM 0 H ILE A 52 7.711 10.265 -7.027 1.00 0.91 H new ATOM 0 HA ILE A 52 7.860 12.845 -5.643 1.00 1.08 H new ATOM 0 HB ILE A 52 5.544 13.089 -5.975 1.00 1.26 H new ATOM 0 HG12 ILE A 52 5.408 10.278 -7.046 1.00 1.97 H new ATOM 0 HG13 ILE A 52 4.735 10.863 -5.538 1.00 1.97 H new ATOM 0 HG21 ILE A 52 5.426 13.035 -8.471 1.00 1.74 H new ATOM 0 HG22 ILE A 52 6.986 13.659 -7.884 1.00 1.74 H new ATOM 0 HG23 ILE A 52 6.869 11.993 -8.497 1.00 1.74 H new ATOM 0 HD11 ILE A 52 2.988 10.699 -7.271 1.00 2.53 H new ATOM 0 HD12 ILE A 52 3.226 12.396 -6.789 1.00 2.53 H new ATOM 0 HD13 ILE A 52 3.909 11.801 -8.321 1.00 2.53 H new ATOM 801 N ILE A 53 7.514 10.158 -4.034 1.00 0.68 N ATOM 802 CA ILE A 53 7.184 9.576 -2.729 1.00 0.57 C ATOM 803 C ILE A 53 8.242 8.606 -2.179 1.00 0.95 C ATOM 804 O ILE A 53 8.608 8.684 -1.009 1.00 2.69 O ATOM 805 CB ILE A 53 5.771 8.955 -2.790 1.00 0.58 C ATOM 806 CG1 ILE A 53 5.178 8.828 -1.381 1.00 0.84 C ATOM 807 CG2 ILE A 53 5.778 7.613 -3.534 1.00 0.94 C ATOM 808 CD1 ILE A 53 3.668 8.609 -1.425 1.00 1.36 C ATOM 0 H ILE A 53 8.112 9.581 -4.625 1.00 0.68 H new ATOM 0 HA ILE A 53 7.186 10.387 -2.001 1.00 0.57 H new ATOM 0 HB ILE A 53 5.128 9.625 -3.361 1.00 0.58 H new ATOM 0 HG12 ILE A 53 5.652 7.996 -0.860 1.00 0.84 H new ATOM 0 HG13 ILE A 53 5.399 9.730 -0.810 1.00 0.84 H new ATOM 0 HG21 ILE A 53 4.768 7.205 -3.558 1.00 0.94 H new ATOM 0 HG22 ILE A 53 6.132 7.764 -4.554 1.00 0.94 H new ATOM 0 HG23 ILE A 53 6.439 6.915 -3.020 1.00 0.94 H new ATOM 0 HD11 ILE A 53 3.283 8.524 -0.409 1.00 1.36 H new ATOM 0 HD12 ILE A 53 3.192 9.454 -1.924 1.00 1.36 H new ATOM 0 HD13 ILE A 53 3.449 7.693 -1.974 1.00 1.36 H new ATOM 820 N GLY A 54 8.737 7.683 -3.007 1.00 0.83 N ATOM 821 CA GLY A 54 9.600 6.592 -2.575 1.00 0.56 C ATOM 822 C GLY A 54 8.848 5.517 -1.767 1.00 0.47 C ATOM 823 O GLY A 54 7.809 5.788 -1.168 1.00 0.55 O ATOM 0 H GLY A 54 8.544 7.676 -4.009 1.00 0.83 H new ATOM 0 HA2 GLY A 54 10.057 6.129 -3.449 1.00 0.56 H new ATOM 0 HA3 GLY A 54 10.410 6.995 -1.968 1.00 0.56 H new ATOM 827 N PRO A 55 9.358 4.274 -1.740 1.00 0.66 N ATOM 828 CA PRO A 55 8.714 3.161 -1.055 1.00 0.89 C ATOM 829 C PRO A 55 8.647 3.373 0.459 1.00 0.93 C ATOM 830 O PRO A 55 7.589 3.206 1.063 1.00 0.95 O ATOM 831 CB PRO A 55 9.537 1.912 -1.399 1.00 1.27 C ATOM 832 CG PRO A 55 10.877 2.448 -1.909 1.00 1.10 C ATOM 833 CD PRO A 55 10.553 3.842 -2.442 1.00 0.75 C ATOM 0 HA PRO A 55 7.679 3.063 -1.382 1.00 0.89 H new ATOM 0 HB2 PRO A 55 9.674 1.276 -0.524 1.00 1.27 H new ATOM 0 HB3 PRO A 55 9.039 1.308 -2.158 1.00 1.27 H new ATOM 0 HG2 PRO A 55 11.617 2.491 -1.110 1.00 1.10 H new ATOM 0 HG3 PRO A 55 11.288 1.810 -2.691 1.00 1.10 H new ATOM 0 HD2 PRO A 55 11.380 4.529 -2.263 1.00 0.75 H new ATOM 0 HD3 PRO A 55 10.385 3.818 -3.519 1.00 0.75 H new ATOM 841 N ARG A 56 9.793 3.690 1.074 1.00 1.03 N ATOM 842 CA ARG A 56 9.951 3.723 2.526 1.00 1.14 C ATOM 843 C ARG A 56 8.822 4.491 3.212 1.00 1.00 C ATOM 844 O ARG A 56 8.296 4.035 4.220 1.00 0.96 O ATOM 845 CB ARG A 56 11.303 4.330 2.914 1.00 1.46 C ATOM 846 CG ARG A 56 12.485 3.429 2.536 1.00 1.94 C ATOM 847 CD ARG A 56 13.774 4.005 3.132 1.00 3.10 C ATOM 848 NE ARG A 56 14.928 3.130 2.866 1.00 4.29 N ATOM 849 CZ ARG A 56 16.166 3.333 3.348 1.00 5.74 C ATOM 850 NH1 ARG A 56 16.417 4.410 4.101 1.00 6.33 N ATOM 851 NH2 ARG A 56 17.143 2.461 3.078 1.00 7.08 N ATOM 0 H ARG A 56 10.644 3.933 0.568 1.00 1.03 H new ATOM 0 HA ARG A 56 9.909 2.690 2.870 1.00 1.14 H new ATOM 0 HB2 ARG A 56 11.417 5.297 2.424 1.00 1.46 H new ATOM 0 HB3 ARG A 56 11.320 4.513 3.988 1.00 1.46 H new ATOM 0 HG2 ARG A 56 12.319 2.418 2.908 1.00 1.94 H new ATOM 0 HG3 ARG A 56 12.572 3.360 1.452 1.00 1.94 H new ATOM 0 HD2 ARG A 56 13.961 4.993 2.712 1.00 3.10 H new ATOM 0 HD3 ARG A 56 13.653 4.133 4.208 1.00 3.10 H new ATOM 0 HE ARG A 56 14.777 2.313 2.275 1.00 4.29 H new ATOM 0 HH11 ARG A 56 15.670 5.073 4.307 1.00 6.33 H new ATOM 0 HH12 ARG A 56 17.355 4.568 4.469 1.00 6.33 H new ATOM 0 HH21 ARG A 56 16.949 1.640 2.505 1.00 7.08 H new ATOM 0 HH22 ARG A 56 18.082 2.617 3.445 1.00 7.08 H new ATOM 865 N ASP A 57 8.465 5.652 2.664 1.00 0.95 N ATOM 866 CA ASP A 57 7.389 6.490 3.164 1.00 0.85 C ATOM 867 C ASP A 57 6.092 5.681 3.318 1.00 0.75 C ATOM 868 O ASP A 57 5.528 5.559 4.406 1.00 0.73 O ATOM 869 CB ASP A 57 7.238 7.662 2.187 1.00 0.78 C ATOM 870 CG ASP A 57 6.133 8.617 2.596 1.00 2.58 C ATOM 871 OD1 ASP A 57 5.915 8.761 3.815 1.00 3.96 O ATOM 872 OD2 ASP A 57 5.506 9.179 1.673 1.00 3.56 O ATOM 0 H ASP A 57 8.929 6.040 1.843 1.00 0.95 H new ATOM 0 HA ASP A 57 7.617 6.873 4.159 1.00 0.85 H new ATOM 0 HB2 ASP A 57 8.181 8.206 2.128 1.00 0.78 H new ATOM 0 HB3 ASP A 57 7.030 7.275 1.189 1.00 0.78 H new ATOM 877 N ILE A 58 5.654 5.055 2.225 1.00 0.69 N ATOM 878 CA ILE A 58 4.487 4.183 2.230 1.00 0.64 C ATOM 879 C ILE A 58 4.664 3.057 3.245 1.00 0.70 C ATOM 880 O ILE A 58 3.762 2.817 4.047 1.00 0.64 O ATOM 881 CB ILE A 58 4.210 3.666 0.810 1.00 0.65 C ATOM 882 CG1 ILE A 58 3.701 4.837 -0.037 1.00 0.67 C ATOM 883 CG2 ILE A 58 3.219 2.500 0.782 1.00 0.66 C ATOM 884 CD1 ILE A 58 4.233 4.703 -1.459 1.00 0.76 C ATOM 0 H ILE A 58 6.101 5.141 1.312 1.00 0.69 H new ATOM 0 HA ILE A 58 3.610 4.749 2.543 1.00 0.64 H new ATOM 0 HB ILE A 58 5.140 3.272 0.399 1.00 0.65 H new ATOM 0 HG12 ILE A 58 2.611 4.848 -0.044 1.00 0.67 H new ATOM 0 HG13 ILE A 58 4.026 5.782 0.397 1.00 0.67 H new ATOM 0 HG21 ILE A 58 3.064 2.179 -0.248 1.00 0.66 H new ATOM 0 HG22 ILE A 58 3.618 1.670 1.365 1.00 0.66 H new ATOM 0 HG23 ILE A 58 2.269 2.820 1.209 1.00 0.66 H new ATOM 0 HD11 ILE A 58 3.872 5.536 -2.063 1.00 0.76 H new ATOM 0 HD12 ILE A 58 5.323 4.713 -1.442 1.00 0.76 H new ATOM 0 HD13 ILE A 58 3.886 3.764 -1.891 1.00 0.76 H new ATOM 896 N ILE A 59 5.814 2.371 3.222 1.00 0.85 N ATOM 897 CA ILE A 59 6.075 1.293 4.174 1.00 0.98 C ATOM 898 C ILE A 59 5.831 1.779 5.606 1.00 0.97 C ATOM 899 O ILE A 59 5.072 1.139 6.332 1.00 0.93 O ATOM 900 CB ILE A 59 7.481 0.687 3.993 1.00 1.21 C ATOM 901 CG1 ILE A 59 7.707 0.100 2.587 1.00 1.34 C ATOM 902 CG2 ILE A 59 7.754 -0.389 5.056 1.00 1.33 C ATOM 903 CD1 ILE A 59 6.715 -0.997 2.189 1.00 1.84 C ATOM 0 H ILE A 59 6.570 2.544 2.559 1.00 0.85 H new ATOM 0 HA ILE A 59 5.373 0.484 3.971 1.00 0.98 H new ATOM 0 HB ILE A 59 8.184 1.510 4.117 1.00 1.21 H new ATOM 0 HG12 ILE A 59 7.649 0.907 1.857 1.00 1.34 H new ATOM 0 HG13 ILE A 59 8.718 -0.305 2.535 1.00 1.34 H new ATOM 0 HG21 ILE A 59 8.752 -0.802 4.908 1.00 1.33 H new ATOM 0 HG22 ILE A 59 7.689 0.056 6.049 1.00 1.33 H new ATOM 0 HG23 ILE A 59 7.015 -1.185 4.966 1.00 1.33 H new ATOM 0 HD11 ILE A 59 6.949 -1.352 1.185 1.00 1.84 H new ATOM 0 HD12 ILE A 59 6.787 -1.826 2.893 1.00 1.84 H new ATOM 0 HD13 ILE A 59 5.702 -0.595 2.205 1.00 1.84 H new ATOM 915 N HIS A 60 6.434 2.914 5.986 1.00 1.04 N ATOM 916 CA HIS A 60 6.230 3.520 7.294 1.00 1.11 C ATOM 917 C HIS A 60 4.742 3.647 7.579 1.00 0.91 C ATOM 918 O HIS A 60 4.272 3.151 8.597 1.00 0.83 O ATOM 919 CB HIS A 60 6.897 4.897 7.408 1.00 1.28 C ATOM 920 CG HIS A 60 8.382 4.896 7.181 1.00 1.38 C ATOM 921 ND1 HIS A 60 9.087 5.848 6.483 1.00 2.12 N ATOM 922 CD2 HIS A 60 9.277 3.986 7.671 1.00 1.44 C ATOM 923 CE1 HIS A 60 10.385 5.506 6.540 1.00 2.74 C ATOM 924 NE2 HIS A 60 10.555 4.377 7.250 1.00 2.32 N ATOM 0 H HIS A 60 7.077 3.433 5.388 1.00 1.04 H new ATOM 0 HA HIS A 60 6.697 2.866 8.031 1.00 1.11 H new ATOM 0 HB2 HIS A 60 6.433 5.571 6.687 1.00 1.28 H new ATOM 0 HB3 HIS A 60 6.695 5.303 8.399 1.00 1.28 H new ATOM 0 HD2 HIS A 60 9.041 3.122 8.274 1.00 1.44 H new ATOM 0 HE1 HIS A 60 11.186 6.064 6.077 1.00 2.74 H new ATOM 0 HE2 HIS A 60 11.436 3.901 7.443 1.00 2.32 H new ATOM 932 N THR A 61 3.982 4.287 6.685 1.00 0.85 N ATOM 933 CA THR A 61 2.559 4.442 6.943 1.00 0.75 C ATOM 934 C THR A 61 1.896 3.077 7.168 1.00 0.59 C ATOM 935 O THR A 61 1.160 2.911 8.138 1.00 0.58 O ATOM 936 CB THR A 61 1.897 5.277 5.842 1.00 0.81 C ATOM 937 OG1 THR A 61 2.580 6.504 5.737 1.00 1.10 O ATOM 938 CG2 THR A 61 0.443 5.596 6.199 1.00 0.87 C ATOM 0 H THR A 61 4.317 4.690 5.810 1.00 0.85 H new ATOM 0 HA THR A 61 2.418 5.000 7.869 1.00 0.75 H new ATOM 0 HB THR A 61 1.932 4.710 4.912 1.00 0.81 H new ATOM 0 HG1 THR A 61 2.006 7.227 6.066 1.00 1.10 H new ATOM 0 HG21 THR A 61 -0.005 6.189 5.402 1.00 0.87 H new ATOM 0 HG22 THR A 61 -0.115 4.667 6.317 1.00 0.87 H new ATOM 0 HG23 THR A 61 0.412 6.159 7.132 1.00 0.87 H new ATOM 946 N ILE A 62 2.163 2.088 6.309 1.00 0.56 N ATOM 947 CA ILE A 62 1.566 0.760 6.421 1.00 0.54 C ATOM 948 C ILE A 62 1.844 0.118 7.792 1.00 0.60 C ATOM 949 O ILE A 62 0.902 -0.306 8.477 1.00 0.52 O ATOM 950 CB ILE A 62 2.006 -0.124 5.238 1.00 0.66 C ATOM 951 CG1 ILE A 62 1.447 0.437 3.918 1.00 0.65 C ATOM 952 CG2 ILE A 62 1.493 -1.555 5.424 1.00 0.75 C ATOM 953 CD1 ILE A 62 1.953 -0.323 2.688 1.00 1.06 C ATOM 0 H ILE A 62 2.799 2.189 5.518 1.00 0.56 H new ATOM 0 HA ILE A 62 0.482 0.861 6.364 1.00 0.54 H new ATOM 0 HB ILE A 62 3.095 -0.128 5.203 1.00 0.66 H new ATOM 0 HG12 ILE A 62 0.358 0.395 3.943 1.00 0.65 H new ATOM 0 HG13 ILE A 62 1.723 1.488 3.829 1.00 0.65 H new ATOM 0 HG21 ILE A 62 1.811 -2.168 4.581 1.00 0.75 H new ATOM 0 HG22 ILE A 62 1.898 -1.969 6.347 1.00 0.75 H new ATOM 0 HG23 ILE A 62 0.404 -1.547 5.476 1.00 0.75 H new ATOM 0 HD11 ILE A 62 1.526 0.117 1.787 1.00 1.06 H new ATOM 0 HD12 ILE A 62 3.040 -0.259 2.643 1.00 1.06 H new ATOM 0 HD13 ILE A 62 1.654 -1.369 2.758 1.00 1.06 H new ATOM 965 N GLU A 63 3.117 0.016 8.191 1.00 0.81 N ATOM 966 CA GLU A 63 3.448 -0.618 9.464 1.00 0.93 C ATOM 967 C GLU A 63 2.932 0.218 10.633 1.00 0.90 C ATOM 968 O GLU A 63 2.300 -0.316 11.544 1.00 0.94 O ATOM 969 CB GLU A 63 4.927 -1.029 9.546 1.00 1.08 C ATOM 970 CG GLU A 63 5.969 0.098 9.461 1.00 2.26 C ATOM 971 CD GLU A 63 6.099 0.930 10.734 1.00 3.83 C ATOM 972 OE1 GLU A 63 5.902 0.346 11.821 1.00 4.58 O ATOM 973 OE2 GLU A 63 6.393 2.136 10.597 1.00 4.99 O ATOM 0 H GLU A 63 3.918 0.358 7.660 1.00 0.81 H new ATOM 0 HA GLU A 63 2.919 -1.568 9.534 1.00 0.93 H new ATOM 0 HB2 GLU A 63 5.079 -1.561 10.485 1.00 1.08 H new ATOM 0 HB3 GLU A 63 5.127 -1.737 8.742 1.00 1.08 H new ATOM 0 HG2 GLU A 63 6.940 -0.338 9.225 1.00 2.26 H new ATOM 0 HG3 GLU A 63 5.706 0.758 8.634 1.00 2.26 H new ATOM 980 N SER A 64 3.122 1.535 10.557 1.00 0.86 N ATOM 981 CA SER A 64 2.685 2.467 11.578 1.00 0.88 C ATOM 982 C SER A 64 1.171 2.363 11.805 1.00 0.78 C ATOM 983 O SER A 64 0.733 2.374 12.954 1.00 0.90 O ATOM 984 CB SER A 64 3.173 3.879 11.228 1.00 0.91 C ATOM 985 OG SER A 64 2.810 4.812 12.225 1.00 1.00 O ATOM 0 H SER A 64 3.591 1.984 9.770 1.00 0.86 H new ATOM 0 HA SER A 64 3.134 2.211 12.537 1.00 0.88 H new ATOM 0 HB2 SER A 64 4.257 3.872 11.111 1.00 0.91 H new ATOM 0 HB3 SER A 64 2.751 4.185 10.271 1.00 0.91 H new ATOM 0 HG SER A 64 3.136 5.702 11.975 1.00 1.00 H new ATOM 991 N LEU A 65 0.355 2.216 10.749 1.00 0.68 N ATOM 992 CA LEU A 65 -1.046 1.877 10.938 1.00 0.57 C ATOM 993 C LEU A 65 -1.186 0.527 11.639 1.00 0.53 C ATOM 994 O LEU A 65 -1.870 0.435 12.658 1.00 0.89 O ATOM 995 CB LEU A 65 -1.756 1.801 9.586 1.00 0.58 C ATOM 996 CG LEU A 65 -1.856 3.158 8.884 1.00 0.65 C ATOM 997 CD1 LEU A 65 -1.969 2.867 7.391 1.00 1.66 C ATOM 998 CD2 LEU A 65 -3.067 3.949 9.371 1.00 1.42 C ATOM 0 H LEU A 65 0.643 2.326 9.777 1.00 0.68 H new ATOM 0 HA LEU A 65 -1.498 2.654 11.554 1.00 0.57 H new ATOM 0 HB2 LEU A 65 -1.222 1.103 8.941 1.00 0.58 H new ATOM 0 HB3 LEU A 65 -2.759 1.399 9.731 1.00 0.58 H new ATOM 0 HG LEU A 65 -0.980 3.768 9.104 1.00 0.65 H new ATOM 0 HD11 LEU A 65 -2.043 3.806 6.842 1.00 1.66 H new ATOM 0 HD12 LEU A 65 -1.086 2.321 7.059 1.00 1.66 H new ATOM 0 HD13 LEU A 65 -2.859 2.266 7.204 1.00 1.66 H new ATOM 0 HD21 LEU A 65 -3.108 4.907 8.853 1.00 1.42 H new ATOM 0 HD22 LEU A 65 -3.977 3.385 9.165 1.00 1.42 H new ATOM 0 HD23 LEU A 65 -2.982 4.120 10.444 1.00 1.42 H new ATOM 1010 N GLY A 66 -0.657 -0.534 11.023 1.00 0.54 N ATOM 1011 CA GLY A 66 -0.797 -1.874 11.579 1.00 0.58 C ATOM 1012 C GLY A 66 0.202 -2.911 11.071 1.00 0.81 C ATOM 1013 O GLY A 66 0.560 -3.831 11.804 1.00 1.46 O ATOM 0 H GLY A 66 -0.134 -0.488 10.149 1.00 0.54 H new ATOM 0 HA2 GLY A 66 -0.705 -1.809 12.663 1.00 0.58 H new ATOM 0 HA3 GLY A 66 -1.804 -2.232 11.366 1.00 0.58 H new ATOM 1017 N PHE A 67 0.501 -2.887 9.770 1.00 0.61 N ATOM 1018 CA PHE A 67 0.571 -4.122 8.995 1.00 0.50 C ATOM 1019 C PHE A 67 2.000 -4.423 8.547 1.00 0.71 C ATOM 1020 O PHE A 67 2.713 -3.516 8.128 1.00 1.37 O ATOM 1021 CB PHE A 67 -0.378 -3.972 7.801 1.00 0.49 C ATOM 1022 CG PHE A 67 -1.722 -3.355 8.159 1.00 0.45 C ATOM 1023 CD1 PHE A 67 -2.597 -4.044 9.019 1.00 1.77 C ATOM 1024 CD2 PHE A 67 -2.026 -2.031 7.786 1.00 1.84 C ATOM 1025 CE1 PHE A 67 -3.824 -3.469 9.390 1.00 1.77 C ATOM 1026 CE2 PHE A 67 -3.261 -1.464 8.138 1.00 1.86 C ATOM 1027 CZ PHE A 67 -4.186 -2.207 8.889 1.00 0.50 C ATOM 0 H PHE A 67 0.696 -2.038 9.240 1.00 0.61 H new ATOM 0 HA PHE A 67 0.267 -4.969 9.609 1.00 0.50 H new ATOM 0 HB2 PHE A 67 0.103 -3.356 7.041 1.00 0.49 H new ATOM 0 HB3 PHE A 67 -0.546 -4.953 7.357 1.00 0.49 H new ATOM 0 HD1 PHE A 67 -2.324 -5.019 9.395 1.00 1.77 H new ATOM 0 HD2 PHE A 67 -1.307 -1.450 7.228 1.00 1.84 H new ATOM 0 HE1 PHE A 67 -4.488 -3.996 10.059 1.00 1.77 H new ATOM 0 HE2 PHE A 67 -3.500 -0.456 7.831 1.00 1.86 H new ATOM 0 HZ PHE A 67 -5.172 -1.810 9.081 1.00 0.50 H new ATOM 1037 N GLU A 68 2.426 -5.689 8.592 1.00 0.42 N ATOM 1038 CA GLU A 68 3.762 -6.027 8.118 1.00 0.45 C ATOM 1039 C GLU A 68 3.674 -6.108 6.597 1.00 0.48 C ATOM 1040 O GLU A 68 2.736 -6.712 6.079 1.00 0.89 O ATOM 1041 CB GLU A 68 4.248 -7.334 8.757 1.00 0.65 C ATOM 1042 CG GLU A 68 5.657 -7.717 8.280 1.00 1.72 C ATOM 1043 CD GLU A 68 6.082 -9.060 8.839 1.00 2.22 C ATOM 1044 OE1 GLU A 68 6.156 -9.183 10.078 1.00 2.77 O ATOM 1045 OE2 GLU A 68 6.160 -10.020 8.045 1.00 3.18 O ATOM 0 H GLU A 68 1.878 -6.475 8.943 1.00 0.42 H new ATOM 0 HA GLU A 68 4.497 -5.274 8.403 1.00 0.45 H new ATOM 0 HB2 GLU A 68 4.248 -7.229 9.842 1.00 0.65 H new ATOM 0 HB3 GLU A 68 3.552 -8.137 8.515 1.00 0.65 H new ATOM 0 HG2 GLU A 68 5.678 -7.751 7.191 1.00 1.72 H new ATOM 0 HG3 GLU A 68 6.368 -6.951 8.588 1.00 1.72 H new ATOM 1052 N ALA A 69 4.612 -5.485 5.880 1.00 0.54 N ATOM 1053 CA ALA A 69 4.594 -5.456 4.426 1.00 0.63 C ATOM 1054 C ALA A 69 5.869 -6.052 3.840 1.00 0.75 C ATOM 1055 O ALA A 69 6.907 -6.073 4.498 1.00 1.07 O ATOM 1056 CB ALA A 69 4.408 -4.015 3.949 1.00 0.79 C ATOM 0 H ALA A 69 5.401 -4.989 6.295 1.00 0.54 H new ATOM 0 HA ALA A 69 3.760 -6.066 4.078 1.00 0.63 H new ATOM 0 HB1 ALA A 69 4.394 -3.991 2.859 1.00 0.79 H new ATOM 0 HB2 ALA A 69 3.466 -3.624 4.332 1.00 0.79 H new ATOM 0 HB3 ALA A 69 5.231 -3.401 4.315 1.00 0.79 H new ATOM 1062 N SER A 70 5.800 -6.514 2.586 1.00 0.66 N ATOM 1063 CA SER A 70 6.977 -6.952 1.847 1.00 0.76 C ATOM 1064 C SER A 70 6.746 -6.742 0.352 1.00 0.73 C ATOM 1065 O SER A 70 5.618 -6.861 -0.120 1.00 0.72 O ATOM 1066 CB SER A 70 7.305 -8.416 2.176 1.00 0.99 C ATOM 1067 OG SER A 70 8.698 -8.557 2.363 1.00 1.89 O ATOM 0 H SER A 70 4.928 -6.592 2.062 1.00 0.66 H new ATOM 0 HA SER A 70 7.840 -6.356 2.145 1.00 0.76 H new ATOM 0 HB2 SER A 70 6.774 -8.725 3.076 1.00 0.99 H new ATOM 0 HB3 SER A 70 6.968 -9.066 1.368 1.00 0.99 H new ATOM 0 HG SER A 70 8.907 -9.491 2.575 1.00 1.89 H new ATOM 1073 N LEU A 71 7.796 -6.400 -0.395 1.00 1.04 N ATOM 1074 CA LEU A 71 7.683 -6.056 -1.806 1.00 0.97 C ATOM 1075 C LEU A 71 7.597 -7.347 -2.627 1.00 0.85 C ATOM 1076 O LEU A 71 8.419 -8.238 -2.426 1.00 1.35 O ATOM 1077 CB LEU A 71 8.887 -5.210 -2.244 1.00 1.29 C ATOM 1078 CG LEU A 71 9.284 -4.086 -1.267 1.00 1.40 C ATOM 1079 CD1 LEU A 71 10.361 -3.213 -1.921 1.00 1.84 C ATOM 1080 CD2 LEU A 71 8.111 -3.202 -0.825 1.00 2.32 C ATOM 0 H LEU A 71 8.749 -6.355 -0.035 1.00 1.04 H new ATOM 0 HA LEU A 71 6.782 -5.466 -1.971 1.00 0.97 H new ATOM 0 HB2 LEU A 71 9.744 -5.869 -2.383 1.00 1.29 H new ATOM 0 HB3 LEU A 71 8.666 -4.766 -3.215 1.00 1.29 H new ATOM 0 HG LEU A 71 9.657 -4.572 -0.366 1.00 1.40 H new ATOM 0 HD11 LEU A 71 10.648 -2.415 -1.236 1.00 1.84 H new ATOM 0 HD12 LEU A 71 11.234 -3.824 -2.152 1.00 1.84 H new ATOM 0 HD13 LEU A 71 9.968 -2.779 -2.840 1.00 1.84 H new ATOM 0 HD21 LEU A 71 8.471 -2.435 -0.139 1.00 2.32 H new ATOM 0 HD22 LEU A 71 7.664 -2.727 -1.698 1.00 2.32 H new ATOM 0 HD23 LEU A 71 7.362 -3.815 -0.323 1.00 2.32 H new ATOM 1092 N VAL A 72 6.617 -7.458 -3.533 1.00 0.72 N ATOM 1093 CA VAL A 72 6.412 -8.655 -4.352 1.00 0.71 C ATOM 1094 C VAL A 72 6.497 -8.351 -5.855 1.00 0.93 C ATOM 1095 O VAL A 72 7.061 -9.146 -6.605 1.00 2.06 O ATOM 1096 CB VAL A 72 5.128 -9.396 -3.928 1.00 0.76 C ATOM 1097 CG1 VAL A 72 5.215 -9.796 -2.451 1.00 0.94 C ATOM 1098 CG2 VAL A 72 3.831 -8.614 -4.155 1.00 0.98 C ATOM 0 H VAL A 72 5.942 -6.716 -3.718 1.00 0.72 H new ATOM 0 HA VAL A 72 7.235 -9.345 -4.165 1.00 0.71 H new ATOM 0 HB VAL A 72 5.077 -10.271 -4.576 1.00 0.76 H new ATOM 0 HG11 VAL A 72 4.303 -10.319 -2.161 1.00 0.94 H new ATOM 0 HG12 VAL A 72 6.073 -10.452 -2.302 1.00 0.94 H new ATOM 0 HG13 VAL A 72 5.331 -8.902 -1.838 1.00 0.94 H new ATOM 0 HG21 VAL A 72 2.982 -9.214 -3.827 1.00 0.98 H new ATOM 0 HG22 VAL A 72 3.861 -7.686 -3.584 1.00 0.98 H new ATOM 0 HG23 VAL A 72 3.725 -8.384 -5.215 1.00 0.98 H new ATOM 1108 N LYS A 73 5.992 -7.193 -6.298 1.00 1.63 N ATOM 1109 CA LYS A 73 6.083 -6.716 -7.678 1.00 1.98 C ATOM 1110 C LYS A 73 5.526 -7.743 -8.682 1.00 2.00 C ATOM 1111 O LYS A 73 6.291 -8.434 -9.357 1.00 2.46 O ATOM 1112 CB LYS A 73 7.537 -6.317 -7.978 1.00 2.58 C ATOM 1113 CG LYS A 73 7.696 -5.628 -9.345 1.00 3.31 C ATOM 1114 CD LYS A 73 9.103 -5.838 -9.930 1.00 3.46 C ATOM 1115 CE LYS A 73 9.225 -7.113 -10.784 1.00 4.17 C ATOM 1116 NZ LYS A 73 8.880 -8.352 -10.055 1.00 4.82 N ATOM 0 H LYS A 73 5.495 -6.546 -5.686 1.00 1.63 H new ATOM 0 HA LYS A 73 5.454 -5.833 -7.794 1.00 1.98 H new ATOM 0 HB2 LYS A 73 7.894 -5.648 -7.195 1.00 2.58 H new ATOM 0 HB3 LYS A 73 8.166 -7.206 -7.949 1.00 2.58 H new ATOM 0 HG2 LYS A 73 6.952 -6.020 -10.038 1.00 3.31 H new ATOM 0 HG3 LYS A 73 7.502 -4.561 -9.239 1.00 3.31 H new ATOM 0 HD2 LYS A 73 9.368 -4.974 -10.540 1.00 3.46 H new ATOM 0 HD3 LYS A 73 9.824 -5.885 -9.114 1.00 3.46 H new ATOM 0 HE2 LYS A 73 8.575 -7.021 -11.654 1.00 4.17 H new ATOM 0 HE3 LYS A 73 10.246 -7.194 -11.157 1.00 4.17 H new ATOM 0 HZ1 LYS A 73 9.190 -9.177 -10.607 1.00 4.82 H new ATOM 0 HZ2 LYS A 73 9.356 -8.355 -9.131 1.00 4.82 H new ATOM 0 HZ3 LYS A 73 7.851 -8.397 -9.914 1.00 4.82 H new ATOM 1130 N ILE A 74 4.203 -7.796 -8.819 1.00 2.59 N ATOM 1131 CA ILE A 74 3.463 -8.604 -9.779 1.00 3.56 C ATOM 1132 C ILE A 74 2.257 -7.744 -10.182 1.00 5.18 C ATOM 1133 O ILE A 74 1.905 -6.853 -9.416 1.00 6.17 O ATOM 1134 CB ILE A 74 3.144 -9.992 -9.167 1.00 4.31 C ATOM 1135 CG1 ILE A 74 1.964 -10.738 -9.817 1.00 5.25 C ATOM 1136 CG2 ILE A 74 2.993 -9.984 -7.637 1.00 5.37 C ATOM 1137 CD1 ILE A 74 0.594 -10.390 -9.218 1.00 5.65 C ATOM 0 H ILE A 74 3.584 -7.242 -8.226 1.00 2.59 H new ATOM 0 HA ILE A 74 4.016 -8.855 -10.684 1.00 3.56 H new ATOM 0 HB ILE A 74 4.042 -10.560 -9.410 1.00 4.31 H new ATOM 0 HG12 ILE A 74 1.950 -10.513 -10.883 1.00 5.25 H new ATOM 0 HG13 ILE A 74 2.129 -11.811 -9.720 1.00 5.25 H new ATOM 0 HG21 ILE A 74 2.771 -10.992 -7.288 1.00 5.37 H new ATOM 0 HG22 ILE A 74 3.921 -9.639 -7.182 1.00 5.37 H new ATOM 0 HG23 ILE A 74 2.180 -9.315 -7.355 1.00 5.37 H new ATOM 0 HD11 ILE A 74 -0.182 -10.958 -9.731 1.00 5.65 H new ATOM 0 HD12 ILE A 74 0.586 -10.641 -8.157 1.00 5.65 H new ATOM 0 HD13 ILE A 74 0.404 -9.324 -9.339 1.00 5.65 H new ATOM 1149 N GLU A 75 1.688 -7.968 -11.372 1.00 6.17 N ATOM 1150 CA GLU A 75 0.851 -6.997 -12.080 1.00 7.98 C ATOM 1151 C GLU A 75 1.695 -5.766 -12.447 1.00 8.16 C ATOM 1152 O GLU A 75 1.085 -4.714 -12.748 1.00 9.31 O ATOM 1153 CB GLU A 75 -0.437 -6.643 -11.309 1.00 9.60 C ATOM 1154 CG GLU A 75 -1.382 -7.838 -11.100 1.00 10.49 C ATOM 1155 CD GLU A 75 -2.147 -7.758 -9.785 1.00 11.69 C ATOM 1156 OE1 GLU A 75 -2.553 -6.649 -9.358 1.00 12.47 O ATOM 1157 OE2 GLU A 75 -2.285 -8.817 -9.131 1.00 12.18 O ATOM 1158 OXT GLU A 75 2.939 -5.911 -12.468 1.00 7.66 O ATOM 0 H GLU A 75 1.800 -8.847 -11.878 1.00 6.17 H new ATOM 0 HA GLU A 75 0.497 -7.453 -13.004 1.00 7.98 H new ATOM 0 HB2 GLU A 75 -0.166 -6.231 -10.337 1.00 9.60 H new ATOM 0 HB3 GLU A 75 -0.970 -5.860 -11.849 1.00 9.60 H new ATOM 0 HG2 GLU A 75 -2.091 -7.884 -11.926 1.00 10.49 H new ATOM 0 HG3 GLU A 75 -0.804 -8.762 -11.124 1.00 10.49 H new TER 1165 GLU A 75