USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 856 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 23 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.067 K(o=1.2,f=0.062) USER MOD Set 1.3: A 66 SER OG : rot 94:sc= 1.22 USER MOD Set 2.1: A 9 ASN : amide:sc= -2.36 K(o=-1.5,f=-4.7!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -135:sc= 0.869 (180deg=-3.47!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -1.48! (180deg=-2.14!) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.7 F(o=-3.2,f=-1.7) USER MOD Single : A 16 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.65) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00327 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.23 (180deg=0.81) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0394 (180deg=-0.391) USER MOD Single : A 34 THR OG1 : rot -152:sc= 1.32 USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= 1.17 (180deg=-0.301) USER MOD Single : A 43 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 50 THR OG1 : rot -89:sc= -0.119 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.112 (180deg=-0.478) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.055 F(o=-1.2!,f=-0.055) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.014 (180deg=-0.151) USER MOD Single : A 65 THR OG1 : rot -91:sc= 1.29 USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00576 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.03 K(o=-1,f=-7.4!) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= -0.126 (180deg=-0.69) USER MOD Single : A 82 THR OG1 : rot -78:sc= 0.97 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0385 (180deg=-0.225) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= 0.852! (180deg=-0.784!) USER MOD Single : A 95 TYR OH : rot 165:sc= -0.433 USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.22) USER MOD Single : A 102 LYS NZ :NH3+ -156:sc= -0.687 (180deg=-2.32!) USER MOD ----------------------------------------------------------------- ATOM 38 N ASP A 3 -17.762 -1.417 3.920 1.00 0.00 N ATOM 39 CA ASP A 3 -16.467 -2.093 3.851 1.00 0.00 C ATOM 40 C ASP A 3 -16.216 -2.806 2.540 1.00 0.00 C ATOM 41 O ASP A 3 -17.149 -3.035 1.761 1.00 0.00 O ATOM 42 CB ASP A 3 -16.148 -2.922 5.086 1.00 0.00 C ATOM 43 CG ASP A 3 -16.054 -2.029 6.278 1.00 0.00 C ATOM 44 OD1 ASP A 3 -15.168 -1.143 6.299 1.00 0.00 O ATOM 45 OD2 ASP A 3 -16.907 -2.114 7.174 1.00 0.00 O ATOM 0 HA ASP A 3 -15.729 -1.291 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.922 -3.673 5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.209 -3.457 4.945 1.00 0.00 H new ATOM 50 N LYS A 4 -14.944 -3.194 2.330 1.00 0.00 N ATOM 51 CA LYS A 4 -14.396 -3.582 1.010 1.00 0.00 C ATOM 52 C LYS A 4 -14.516 -2.408 0.070 1.00 0.00 C ATOM 53 O LYS A 4 -15.602 -1.970 -0.204 1.00 0.00 O ATOM 54 CB LYS A 4 -14.993 -4.853 0.404 1.00 0.00 C ATOM 55 CG LYS A 4 -14.611 -6.107 1.144 1.00 0.00 C ATOM 56 CD LYS A 4 -15.096 -7.338 0.423 1.00 0.00 C ATOM 57 CE LYS A 4 -14.786 -8.584 1.227 1.00 0.00 C ATOM 58 NZ LYS A 4 -15.379 -9.786 0.622 1.00 0.00 N ATOM 0 H LYS A 4 -14.256 -3.249 3.081 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.350 -3.842 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.079 -4.765 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.668 -4.939 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.527 -6.151 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.033 -6.082 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.170 -7.267 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.622 -7.403 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.706 -8.709 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.163 -8.464 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.145 -10.618 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.412 -9.677 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.000 -9.915 -0.338 1.00 0.00 H new ATOM 72 N TYR A 5 -13.368 -1.862 -0.375 1.00 0.00 N ATOM 73 CA TYR A 5 -13.257 -0.576 -1.151 1.00 0.00 C ATOM 74 C TYR A 5 -13.711 0.652 -0.358 1.00 0.00 C ATOM 75 O TYR A 5 -13.044 1.693 -0.342 1.00 0.00 O ATOM 76 CB TYR A 5 -13.794 -0.595 -2.639 1.00 0.00 C ATOM 77 CG TYR A 5 -15.205 -1.108 -2.890 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.328 -0.319 -2.634 1.00 0.00 C ATOM 79 CD2 TYR A 5 -15.407 -2.385 -3.392 1.00 0.00 C ATOM 80 CE1 TYR A 5 -17.601 -0.795 -2.874 1.00 0.00 C ATOM 81 CE2 TYR A 5 -16.673 -2.865 -3.630 1.00 0.00 C ATOM 82 CZ TYR A 5 -17.767 -2.070 -3.371 1.00 0.00 C ATOM 83 OH TYR A 5 -19.039 -2.553 -3.617 1.00 0.00 O ATOM 0 H TYR A 5 -12.462 -2.300 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.180 -0.480 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -13.736 0.422 -3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.109 -1.201 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.199 0.679 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -14.554 -3.014 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.461 -0.173 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -16.809 -3.863 -4.019 1.00 0.00 H new ATOM 0 HH TYR A 5 -18.980 -3.467 -3.966 1.00 0.00 H new ATOM 93 N ASP A 6 -14.762 0.479 0.352 1.00 0.00 N ATOM 94 CA ASP A 6 -15.381 1.477 1.148 1.00 0.00 C ATOM 95 C ASP A 6 -14.574 1.851 2.391 1.00 0.00 C ATOM 96 O ASP A 6 -14.432 3.032 2.679 1.00 0.00 O ATOM 97 CB ASP A 6 -16.801 1.019 1.507 1.00 0.00 C ATOM 98 CG ASP A 6 -17.446 1.813 2.613 1.00 0.00 C ATOM 99 OD1 ASP A 6 -17.778 2.990 2.418 1.00 0.00 O ATOM 100 OD2 ASP A 6 -17.629 1.254 3.699 1.00 0.00 O ATOM 0 H ASP A 6 -15.245 -0.418 0.397 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.428 2.393 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.427 1.083 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.769 -0.030 1.800 1.00 0.00 H new ATOM 105 N LYS A 7 -13.910 0.894 3.071 1.00 0.00 N ATOM 106 CA LYS A 7 -13.359 1.303 4.395 1.00 0.00 C ATOM 107 C LYS A 7 -12.207 0.450 4.999 1.00 0.00 C ATOM 108 O LYS A 7 -11.075 0.537 4.500 1.00 0.00 O ATOM 109 CB LYS A 7 -14.468 1.660 5.422 1.00 0.00 C ATOM 110 CG LYS A 7 -13.965 2.331 6.701 1.00 0.00 C ATOM 111 CD LYS A 7 -15.092 2.756 7.672 1.00 0.00 C ATOM 112 CE LYS A 7 -15.835 1.588 8.359 1.00 0.00 C ATOM 113 NZ LYS A 7 -16.679 0.783 7.448 1.00 0.00 N ATOM 0 H LYS A 7 -13.748 -0.069 2.776 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.828 2.221 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.190 2.321 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.001 0.748 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.292 1.647 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.380 3.210 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.665 3.398 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.818 3.356 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.102 0.933 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.461 1.990 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.522 0.450 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.972 1.367 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.137 -0.035 7.105 1.00 0.00 H new ATOM 127 N ILE A 8 -12.491 -0.416 6.001 1.00 0.00 N ATOM 128 CA ILE A 8 -11.413 -1.119 6.790 1.00 0.00 C ATOM 129 C ILE A 8 -10.990 -2.416 6.129 1.00 0.00 C ATOM 130 O ILE A 8 -10.620 -3.381 6.785 1.00 0.00 O ATOM 131 CB ILE A 8 -11.882 -1.457 8.237 1.00 0.00 C ATOM 132 CG1 ILE A 8 -13.180 -2.286 8.197 1.00 0.00 C ATOM 133 CG2 ILE A 8 -12.056 -0.193 9.071 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.648 -2.818 9.529 1.00 0.00 C ATOM 0 H ILE A 8 -13.440 -0.652 6.291 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.572 -0.426 6.824 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.109 -2.056 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.972 -1.669 7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.033 -3.127 7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.384 -0.462 10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.106 0.338 9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.803 0.450 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.568 -3.386 9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.881 -3.467 9.952 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.834 -1.986 10.208 1.00 0.00 H new ATOM 146 N ASN A 9 -10.888 -2.357 4.866 1.00 0.00 N ATOM 147 CA ASN A 9 -10.632 -3.506 4.038 1.00 0.00 C ATOM 148 C ASN A 9 -9.180 -3.569 3.583 1.00 0.00 C ATOM 149 O ASN A 9 -8.896 -4.145 2.505 1.00 0.00 O ATOM 150 CB ASN A 9 -11.483 -3.371 2.795 1.00 0.00 C ATOM 151 CG ASN A 9 -11.201 -2.067 2.035 1.00 0.00 C ATOM 152 OD1 ASN A 9 -11.915 -1.077 2.179 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.125 -2.035 1.303 1.00 0.00 N ATOM 0 H ASN A 9 -10.980 -1.488 4.340 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.858 -4.402 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.298 -4.220 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.536 -3.407 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.855 -1.172 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.552 -2.873 1.202 1.00 0.00 H new ATOM 160 N LEU A 10 -8.266 -3.057 4.365 1.00 0.00 N ATOM 161 CA LEU A 10 -6.913 -2.869 3.865 1.00 0.00 C ATOM 162 C LEU A 10 -6.231 -4.183 3.652 1.00 0.00 C ATOM 163 O LEU A 10 -5.431 -4.332 2.752 1.00 0.00 O ATOM 164 CB LEU A 10 -6.050 -1.930 4.738 1.00 0.00 C ATOM 165 CG LEU A 10 -6.569 -0.494 4.964 1.00 0.00 C ATOM 166 CD1 LEU A 10 -7.087 0.133 3.681 1.00 0.00 C ATOM 167 CD2 LEU A 10 -7.584 -0.418 6.102 1.00 0.00 C ATOM 0 H LEU A 10 -8.419 -2.766 5.330 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.019 -2.367 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.923 -2.400 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.061 -1.863 4.285 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.713 0.104 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.442 1.143 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.283 0.174 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.908 -0.467 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.919 0.612 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.439 -1.053 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.119 -0.758 7.027 1.00 0.00 H new ATOM 179 N GLN A 11 -6.558 -5.126 4.466 1.00 0.00 N ATOM 180 CA GLN A 11 -6.023 -6.439 4.331 1.00 0.00 C ATOM 181 C GLN A 11 -6.890 -7.340 3.470 1.00 0.00 C ATOM 182 O GLN A 11 -6.376 -8.245 2.805 1.00 0.00 O ATOM 183 CB GLN A 11 -5.755 -7.039 5.684 1.00 0.00 C ATOM 184 CG GLN A 11 -4.597 -6.365 6.384 1.00 0.00 C ATOM 185 CD GLN A 11 -3.279 -6.532 5.626 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.988 -5.640 4.689 1.00 0.00 O flip ATOM 187 NE2 GLN A 11 -2.538 -7.478 5.865 1.00 0.00 N flip ATOM 0 H GLN A 11 -7.205 -5.010 5.246 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.073 -6.352 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.650 -6.956 6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.542 -8.102 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.814 -5.303 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.491 -6.780 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.786 -8.150 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.673 -7.594 5.338 1.00 0.00 H new ATOM 196 N GLU A 12 -8.188 -7.062 3.434 1.00 0.00 N ATOM 197 CA GLU A 12 -9.141 -7.930 2.739 1.00 0.00 C ATOM 198 C GLU A 12 -8.930 -7.797 1.271 1.00 0.00 C ATOM 199 O GLU A 12 -8.821 -8.775 0.532 1.00 0.00 O ATOM 200 CB GLU A 12 -10.601 -7.549 3.071 1.00 0.00 C ATOM 201 CG GLU A 12 -11.079 -7.838 4.500 1.00 0.00 C ATOM 202 CD GLU A 12 -10.314 -7.117 5.584 1.00 0.00 C ATOM 203 OE1 GLU A 12 -9.793 -6.029 5.339 1.00 0.00 O ATOM 204 OE2 GLU A 12 -10.234 -7.641 6.714 1.00 0.00 O ATOM 0 H GLU A 12 -8.608 -6.244 3.876 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.972 -8.956 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.727 -6.484 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.257 -8.078 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.132 -7.567 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.012 -8.911 4.680 1.00 0.00 H new ATOM 211 N ILE A 13 -8.834 -6.570 0.874 1.00 0.00 N ATOM 212 CA ILE A 13 -8.639 -6.215 -0.477 1.00 0.00 C ATOM 213 C ILE A 13 -7.221 -6.559 -0.942 1.00 0.00 C ATOM 214 O ILE A 13 -7.047 -7.201 -1.965 1.00 0.00 O ATOM 215 CB ILE A 13 -8.942 -4.713 -0.681 1.00 0.00 C ATOM 216 CG1 ILE A 13 -10.452 -4.405 -0.651 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.303 -4.175 -1.904 1.00 0.00 C ATOM 218 CD1 ILE A 13 -11.270 -5.131 -1.670 1.00 0.00 C ATOM 0 H ILE A 13 -8.892 -5.771 1.505 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.331 -6.794 -1.088 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.497 -4.197 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.836 -4.647 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.591 -3.333 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.544 -3.117 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.222 -4.296 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.672 -4.716 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.317 -4.846 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.920 -4.871 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.170 -6.206 -1.518 1.00 0.00 H new ATOM 230 N LEU A 14 -6.227 -6.173 -0.153 1.00 0.00 N ATOM 231 CA LEU A 14 -4.822 -6.354 -0.516 1.00 0.00 C ATOM 232 C LEU A 14 -4.427 -7.822 -0.680 1.00 0.00 C ATOM 233 O LEU A 14 -3.467 -8.140 -1.383 1.00 0.00 O ATOM 234 CB LEU A 14 -3.946 -5.678 0.514 1.00 0.00 C ATOM 235 CG LEU A 14 -2.461 -5.609 0.225 1.00 0.00 C ATOM 236 CD1 LEU A 14 -2.190 -4.791 -1.013 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.747 -5.035 1.402 1.00 0.00 C ATOM 0 H LEU A 14 -6.368 -5.727 0.754 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.676 -5.892 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.311 -4.660 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.081 -6.196 1.464 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.092 -6.618 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.116 -4.757 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.692 -5.246 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.566 -3.778 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.679 -4.987 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.123 -4.032 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.917 -5.667 2.274 1.00 0.00 H new ATOM 249 N GLU A 15 -5.162 -8.704 -0.046 1.00 0.00 N ATOM 250 CA GLU A 15 -4.890 -10.114 -0.145 1.00 0.00 C ATOM 251 C GLU A 15 -5.173 -10.675 -1.569 1.00 0.00 C ATOM 252 O GLU A 15 -4.638 -11.725 -1.955 1.00 0.00 O ATOM 253 CB GLU A 15 -5.645 -10.874 0.951 1.00 0.00 C ATOM 254 CG GLU A 15 -5.476 -12.380 0.901 1.00 0.00 C ATOM 255 CD GLU A 15 -6.178 -13.097 2.006 1.00 0.00 C ATOM 256 OE1 GLU A 15 -7.377 -13.405 1.862 1.00 0.00 O ATOM 257 OE2 GLU A 15 -5.539 -13.393 3.028 1.00 0.00 O ATOM 0 H GLU A 15 -5.957 -8.466 0.547 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.823 -10.266 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.307 -10.515 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.706 -10.637 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.850 -12.748 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.413 -12.620 0.941 1.00 0.00 H new ATOM 264 N ASN A 16 -5.953 -9.959 -2.362 1.00 0.00 N ATOM 265 CA ASN A 16 -6.300 -10.412 -3.710 1.00 0.00 C ATOM 266 C ASN A 16 -6.125 -9.282 -4.695 1.00 0.00 C ATOM 267 O ASN A 16 -6.706 -8.239 -4.505 1.00 0.00 O ATOM 268 CB ASN A 16 -7.765 -10.873 -3.783 1.00 0.00 C ATOM 269 CG ASN A 16 -8.081 -12.132 -3.014 1.00 0.00 C ATOM 270 OD1 ASN A 16 -7.994 -13.227 -3.550 1.00 0.00 O ATOM 271 ND2 ASN A 16 -8.487 -11.986 -1.784 1.00 0.00 N ATOM 0 H ASN A 16 -6.361 -9.061 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.641 -11.245 -3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.401 -10.070 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.028 -11.029 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.746 -12.804 -1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.545 -11.054 -1.373 1.00 0.00 H new ATOM 278 N LYS A 17 -5.389 -9.488 -5.800 1.00 0.00 N ATOM 279 CA LYS A 17 -5.216 -8.376 -6.761 1.00 0.00 C ATOM 280 C LYS A 17 -6.531 -8.028 -7.442 1.00 0.00 C ATOM 281 O LYS A 17 -6.735 -6.918 -7.899 1.00 0.00 O ATOM 282 CB LYS A 17 -4.089 -8.558 -7.805 1.00 0.00 C ATOM 283 CG LYS A 17 -4.373 -9.528 -8.947 1.00 0.00 C ATOM 284 CD LYS A 17 -4.245 -10.978 -8.551 1.00 0.00 C ATOM 285 CE LYS A 17 -2.798 -11.359 -8.223 1.00 0.00 C ATOM 286 NZ LYS A 17 -1.863 -11.009 -9.313 1.00 0.00 N ATOM 0 H LYS A 17 -4.925 -10.362 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.886 -7.540 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.860 -7.583 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.193 -8.896 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.381 -9.350 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.686 -9.322 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.877 -11.174 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.611 -11.609 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.490 -10.853 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.742 -12.430 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.977 -11.541 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.292 -11.250 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.661 -9.989 -9.283 1.00 0.00 H new ATOM 300 N ARG A 18 -7.425 -8.984 -7.467 1.00 0.00 N ATOM 301 CA ARG A 18 -8.756 -8.768 -7.992 1.00 0.00 C ATOM 302 C ARG A 18 -9.554 -7.862 -7.057 1.00 0.00 C ATOM 303 O ARG A 18 -10.313 -6.986 -7.485 1.00 0.00 O ATOM 304 CB ARG A 18 -9.503 -10.091 -8.307 1.00 0.00 C ATOM 305 CG ARG A 18 -9.481 -11.205 -7.234 1.00 0.00 C ATOM 306 CD ARG A 18 -8.188 -12.040 -7.288 1.00 0.00 C ATOM 307 NE ARG A 18 -8.239 -13.218 -6.425 1.00 0.00 N ATOM 308 CZ ARG A 18 -7.761 -14.432 -6.750 1.00 0.00 C ATOM 309 NH1 ARG A 18 -7.310 -14.677 -7.980 1.00 0.00 N ATOM 310 NH2 ARG A 18 -7.771 -15.397 -5.851 1.00 0.00 N ATOM 0 H ARG A 18 -7.255 -9.930 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.651 -8.260 -8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.545 -9.846 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.083 -10.502 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.581 -10.757 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.341 -11.860 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.007 -12.355 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.345 -11.415 -6.993 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.670 -13.111 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.325 -13.940 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.949 -15.601 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.140 -15.220 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.410 -16.321 -6.090 1.00 0.00 H new ATOM 324 N LEU A 19 -9.320 -8.019 -5.780 1.00 0.00 N ATOM 325 CA LEU A 19 -9.958 -7.177 -4.824 1.00 0.00 C ATOM 326 C LEU A 19 -9.260 -5.827 -4.795 1.00 0.00 C ATOM 327 O LEU A 19 -9.866 -4.809 -4.479 1.00 0.00 O ATOM 328 CB LEU A 19 -10.027 -7.826 -3.451 1.00 0.00 C ATOM 329 CG LEU A 19 -10.911 -9.077 -3.336 1.00 0.00 C ATOM 330 CD1 LEU A 19 -10.988 -9.538 -1.897 1.00 0.00 C ATOM 331 CD2 LEU A 19 -12.307 -8.803 -3.871 1.00 0.00 C ATOM 0 H LEU A 19 -8.694 -8.722 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.994 -7.021 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.015 -8.093 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.389 -7.084 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.460 -9.867 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.618 -10.425 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.987 -9.777 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.415 -8.745 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.915 -9.703 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.764 -7.996 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.244 -8.513 -4.920 1.00 0.00 H new ATOM 343 N LEU A 20 -7.986 -5.821 -5.180 1.00 0.00 N ATOM 344 CA LEU A 20 -7.230 -4.591 -5.338 1.00 0.00 C ATOM 345 C LEU A 20 -7.890 -3.766 -6.396 1.00 0.00 C ATOM 346 O LEU A 20 -8.129 -2.579 -6.215 1.00 0.00 O ATOM 347 CB LEU A 20 -5.758 -4.874 -5.689 1.00 0.00 C ATOM 348 CG LEU A 20 -4.891 -5.366 -4.539 1.00 0.00 C ATOM 349 CD1 LEU A 20 -3.474 -5.661 -5.006 1.00 0.00 C ATOM 350 CD2 LEU A 20 -4.869 -4.315 -3.463 1.00 0.00 C ATOM 0 H LEU A 20 -7.455 -6.666 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.223 -4.045 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.730 -5.617 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.316 -3.961 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.313 -6.293 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.878 -6.011 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.498 -6.431 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.029 -4.753 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.250 -4.657 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.457 -3.390 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.884 -4.136 -3.109 1.00 0.00 H new ATOM 362 N GLU A 21 -8.245 -4.433 -7.470 1.00 0.00 N ATOM 363 CA GLU A 21 -9.008 -3.854 -8.543 1.00 0.00 C ATOM 364 C GLU A 21 -10.326 -3.263 -8.047 1.00 0.00 C ATOM 365 O GLU A 21 -10.789 -2.244 -8.570 1.00 0.00 O ATOM 366 CB GLU A 21 -9.260 -4.896 -9.604 1.00 0.00 C ATOM 367 CG GLU A 21 -8.081 -5.154 -10.501 1.00 0.00 C ATOM 368 CD GLU A 21 -7.789 -3.969 -11.375 1.00 0.00 C ATOM 369 OE1 GLU A 21 -7.080 -3.050 -10.947 1.00 0.00 O ATOM 370 OE2 GLU A 21 -8.282 -3.931 -12.517 1.00 0.00 O ATOM 0 H GLU A 21 -8.005 -5.413 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.429 -3.035 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.547 -5.830 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.106 -4.580 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.205 -5.386 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.279 -6.027 -11.123 1.00 0.00 H new ATOM 377 N SER A 22 -10.912 -3.880 -7.039 1.00 0.00 N ATOM 378 CA SER A 22 -12.135 -3.371 -6.471 1.00 0.00 C ATOM 379 C SER A 22 -11.914 -1.998 -5.772 1.00 0.00 C ATOM 380 O SER A 22 -12.643 -1.039 -6.057 1.00 0.00 O ATOM 381 CB SER A 22 -12.751 -4.408 -5.537 1.00 0.00 C ATOM 382 OG SER A 22 -12.870 -5.663 -6.215 1.00 0.00 O ATOM 0 H SER A 22 -10.559 -4.731 -6.601 1.00 0.00 H new ATOM 0 HA SER A 22 -12.845 -3.189 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.132 -4.522 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.732 -4.071 -5.202 1.00 0.00 H new ATOM 0 HG SER A 22 -13.264 -6.325 -5.610 1.00 0.00 H new ATOM 388 N TYR A 23 -10.869 -1.864 -4.917 1.00 0.00 N ATOM 389 CA TYR A 23 -10.642 -0.559 -4.267 1.00 0.00 C ATOM 390 C TYR A 23 -9.692 0.311 -5.111 1.00 0.00 C ATOM 391 O TYR A 23 -9.183 1.341 -4.670 1.00 0.00 O ATOM 392 CB TYR A 23 -10.221 -0.626 -2.727 1.00 0.00 C ATOM 393 CG TYR A 23 -8.742 -0.808 -2.340 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.758 -1.221 -3.228 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.353 -0.507 -1.048 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.442 -1.337 -2.821 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.054 -0.611 -0.620 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.092 -1.030 -1.519 1.00 0.00 C ATOM 399 OH TYR A 23 -4.788 -1.154 -1.125 1.00 0.00 O ATOM 0 H TYR A 23 -10.207 -2.601 -4.674 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.617 -0.074 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.568 0.293 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.778 -1.446 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.024 -1.454 -4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.104 -0.176 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.688 -1.667 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.789 -0.370 0.399 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.198 -0.992 -1.891 1.00 0.00 H new ATOM 409 N MET A 24 -9.467 -0.103 -6.336 1.00 0.00 N ATOM 410 CA MET A 24 -8.661 0.660 -7.267 1.00 0.00 C ATOM 411 C MET A 24 -9.173 2.054 -7.528 1.00 0.00 C ATOM 412 O MET A 24 -8.444 2.881 -8.009 1.00 0.00 O ATOM 413 CB MET A 24 -8.348 -0.065 -8.557 1.00 0.00 C ATOM 414 CG MET A 24 -7.063 -0.854 -8.498 1.00 0.00 C ATOM 415 SD MET A 24 -5.669 0.210 -8.105 1.00 0.00 S ATOM 416 CE MET A 24 -4.327 -0.970 -8.130 1.00 0.00 C ATOM 0 H MET A 24 -9.835 -0.975 -6.717 1.00 0.00 H new ATOM 0 HA MET A 24 -7.714 0.772 -6.740 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.170 -0.739 -8.796 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.285 0.661 -9.368 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.149 -1.639 -7.747 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.890 -1.346 -9.455 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.390 -0.461 -7.904 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.509 -1.744 -7.384 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.262 -1.426 -9.118 1.00 0.00 H new ATOM 426 N ASP A 25 -10.438 2.298 -7.277 1.00 0.00 N ATOM 427 CA ASP A 25 -10.995 3.656 -7.405 1.00 0.00 C ATOM 428 C ASP A 25 -10.342 4.606 -6.441 1.00 0.00 C ATOM 429 O ASP A 25 -9.986 5.707 -6.788 1.00 0.00 O ATOM 430 CB ASP A 25 -12.466 3.659 -7.147 1.00 0.00 C ATOM 431 CG ASP A 25 -13.053 5.049 -7.001 1.00 0.00 C ATOM 432 OD1 ASP A 25 -13.185 5.759 -7.998 1.00 0.00 O ATOM 433 OD2 ASP A 25 -13.397 5.434 -5.864 1.00 0.00 O ATOM 0 H ASP A 25 -11.110 1.589 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.800 3.982 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.971 3.144 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.668 3.091 -6.239 1.00 0.00 H new ATOM 438 N CYS A 26 -10.166 4.168 -5.259 1.00 0.00 N ATOM 439 CA CYS A 26 -9.593 4.993 -4.272 1.00 0.00 C ATOM 440 C CYS A 26 -8.080 5.076 -4.383 1.00 0.00 C ATOM 441 O CYS A 26 -7.486 6.098 -4.042 1.00 0.00 O ATOM 442 CB CYS A 26 -10.116 4.628 -2.881 1.00 0.00 C ATOM 443 SG CYS A 26 -10.460 2.862 -2.597 1.00 0.00 S ATOM 0 H CYS A 26 -10.414 3.229 -4.946 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.922 6.017 -4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.387 4.959 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.032 5.190 -2.700 1.00 0.00 H new ATOM 448 N VAL A 27 -7.447 4.019 -4.860 1.00 0.00 N ATOM 449 CA VAL A 27 -6.014 4.063 -5.054 1.00 0.00 C ATOM 450 C VAL A 27 -5.631 4.753 -6.386 1.00 0.00 C ATOM 451 O VAL A 27 -4.894 5.725 -6.396 1.00 0.00 O ATOM 452 CB VAL A 27 -5.395 2.644 -4.973 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.900 2.680 -5.240 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.667 2.037 -3.607 1.00 0.00 C ATOM 0 H VAL A 27 -7.894 3.138 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.601 4.664 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.860 2.026 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.495 1.670 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.718 3.082 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.413 3.314 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.229 1.040 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.225 2.666 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.743 1.969 -3.447 1.00 0.00 H new ATOM 464 N LEU A 28 -6.164 4.257 -7.486 1.00 0.00 N ATOM 465 CA LEU A 28 -5.858 4.785 -8.822 1.00 0.00 C ATOM 466 C LEU A 28 -6.971 5.661 -9.413 1.00 0.00 C ATOM 467 O LEU A 28 -6.697 6.616 -10.134 1.00 0.00 O ATOM 468 CB LEU A 28 -5.534 3.643 -9.799 1.00 0.00 C ATOM 469 CG LEU A 28 -4.055 3.261 -10.027 1.00 0.00 C ATOM 470 CD1 LEU A 28 -3.277 4.425 -10.602 1.00 0.00 C ATOM 471 CD2 LEU A 28 -3.396 2.780 -8.765 1.00 0.00 C ATOM 0 H LEU A 28 -6.822 3.477 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.986 5.426 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.056 2.752 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.961 3.905 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.049 2.440 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.239 4.130 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.713 4.718 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.318 5.267 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.357 2.522 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.431 3.568 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.921 1.900 -8.393 1.00 0.00 H new ATOM 483 N GLY A 29 -8.197 5.331 -9.107 1.00 0.00 N ATOM 484 CA GLY A 29 -9.343 6.026 -9.686 1.00 0.00 C ATOM 485 C GLY A 29 -10.064 5.141 -10.695 1.00 0.00 C ATOM 486 O GLY A 29 -10.630 5.623 -11.664 1.00 0.00 O ATOM 0 H GLY A 29 -8.441 4.583 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.033 6.319 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.009 6.942 -10.173 1.00 0.00 H new ATOM 490 N LYS A 30 -10.044 3.834 -10.455 1.00 0.00 N ATOM 491 CA LYS A 30 -10.599 2.870 -11.404 1.00 0.00 C ATOM 492 C LYS A 30 -12.058 2.433 -11.090 1.00 0.00 C ATOM 493 O LYS A 30 -12.979 2.886 -11.748 1.00 0.00 O ATOM 494 CB LYS A 30 -9.682 1.654 -11.513 1.00 0.00 C ATOM 495 CG LYS A 30 -8.235 2.004 -11.856 1.00 0.00 C ATOM 496 CD LYS A 30 -7.325 0.771 -11.935 1.00 0.00 C ATOM 497 CE LYS A 30 -7.752 -0.214 -13.014 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.885 -1.408 -13.033 1.00 0.00 N ATOM 0 H LYS A 30 -9.650 3.416 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.651 3.385 -12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.701 1.110 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.074 0.982 -12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.210 2.529 -12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.844 2.690 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.302 1.093 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.323 0.265 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.785 -0.516 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.720 0.275 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.291 -2.122 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.937 -1.143 -13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.815 -1.801 -12.073 1.00 0.00 H new ATOM 512 N GLY A 31 -12.242 1.551 -10.089 1.00 0.00 N ATOM 513 CA GLY A 31 -13.580 0.995 -9.770 1.00 0.00 C ATOM 514 C GLY A 31 -14.506 1.969 -9.044 1.00 0.00 C ATOM 515 O GLY A 31 -14.945 2.957 -9.624 1.00 0.00 O ATOM 0 H GLY A 31 -11.491 1.208 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.059 0.677 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.454 0.104 -9.155 1.00 0.00 H new ATOM 519 N LYS A 32 -14.810 1.689 -7.772 1.00 0.00 N ATOM 520 CA LYS A 32 -15.643 2.586 -6.971 1.00 0.00 C ATOM 521 C LYS A 32 -15.401 2.409 -5.472 1.00 0.00 C ATOM 522 O LYS A 32 -15.533 1.329 -4.950 1.00 0.00 O ATOM 523 CB LYS A 32 -17.138 2.433 -7.299 1.00 0.00 C ATOM 524 CG LYS A 32 -17.667 1.011 -7.216 1.00 0.00 C ATOM 525 CD LYS A 32 -19.154 0.980 -7.474 1.00 0.00 C ATOM 526 CE LYS A 32 -19.674 -0.438 -7.595 1.00 0.00 C ATOM 527 NZ LYS A 32 -19.092 -1.145 -8.750 1.00 0.00 N ATOM 0 H LYS A 32 -14.493 0.854 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.344 3.599 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.711 3.059 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.316 2.813 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.153 0.383 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.455 0.595 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.674 1.490 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.376 1.528 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.445 -0.987 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.760 -0.419 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.686 -1.964 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.045 -0.500 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.134 -1.471 -8.511 1.00 0.00 H new ATOM 541 N CYS A 33 -14.968 3.463 -4.835 1.00 0.00 N ATOM 542 CA CYS A 33 -14.814 3.529 -3.398 1.00 0.00 C ATOM 543 C CYS A 33 -15.596 4.738 -2.910 1.00 0.00 C ATOM 544 O CYS A 33 -15.957 5.610 -3.714 1.00 0.00 O ATOM 545 CB CYS A 33 -13.342 3.737 -3.019 1.00 0.00 C ATOM 546 SG CYS A 33 -12.181 2.473 -3.625 1.00 0.00 S ATOM 0 H CYS A 33 -14.704 4.326 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.169 2.600 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.023 4.708 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.269 3.779 -1.932 1.00 0.00 H new ATOM 551 N THR A 34 -15.860 4.813 -1.639 1.00 0.00 N ATOM 552 CA THR A 34 -16.535 5.942 -1.075 1.00 0.00 C ATOM 553 C THR A 34 -15.503 7.048 -0.768 1.00 0.00 C ATOM 554 O THR A 34 -14.285 6.784 -0.851 1.00 0.00 O ATOM 555 CB THR A 34 -17.254 5.491 0.201 1.00 0.00 C ATOM 556 OG1 THR A 34 -16.331 4.746 1.011 1.00 0.00 O ATOM 557 CG2 THR A 34 -18.464 4.633 -0.154 1.00 0.00 C ATOM 0 H THR A 34 -15.612 4.090 -0.963 1.00 0.00 H new ATOM 0 HA THR A 34 -17.270 6.343 -1.773 1.00 0.00 H new ATOM 0 HB THR A 34 -17.606 6.361 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.824 4.099 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.967 4.318 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.154 5.213 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.136 3.754 -0.709 1.00 0.00 H new ATOM 565 N PRO A 35 -15.948 8.291 -0.433 1.00 0.00 N ATOM 566 CA PRO A 35 -15.036 9.406 -0.111 1.00 0.00 C ATOM 567 C PRO A 35 -14.097 9.038 1.021 1.00 0.00 C ATOM 568 O PRO A 35 -12.882 9.280 0.955 1.00 0.00 O ATOM 569 CB PRO A 35 -15.980 10.509 0.357 1.00 0.00 C ATOM 570 CG PRO A 35 -17.286 10.199 -0.272 1.00 0.00 C ATOM 571 CD PRO A 35 -17.363 8.717 -0.373 1.00 0.00 C ATOM 0 HA PRO A 35 -14.410 9.685 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.060 10.523 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.619 11.491 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.108 10.591 0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.362 10.660 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.875 8.284 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -17.912 8.405 -1.261 1.00 0.00 H new ATOM 579 N GLU A 36 -14.671 8.403 2.034 1.00 0.00 N ATOM 580 CA GLU A 36 -13.949 7.974 3.209 1.00 0.00 C ATOM 581 C GLU A 36 -12.851 7.010 2.785 1.00 0.00 C ATOM 582 O GLU A 36 -11.681 7.155 3.182 1.00 0.00 O ATOM 583 CB GLU A 36 -14.919 7.279 4.167 1.00 0.00 C ATOM 584 CG GLU A 36 -14.362 7.021 5.562 1.00 0.00 C ATOM 585 CD GLU A 36 -13.970 8.297 6.268 1.00 0.00 C ATOM 586 OE1 GLU A 36 -14.849 9.158 6.511 1.00 0.00 O ATOM 587 OE2 GLU A 36 -12.777 8.485 6.576 1.00 0.00 O ATOM 0 H GLU A 36 -15.664 8.172 2.056 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.503 8.831 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.818 7.888 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.221 6.327 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.108 6.494 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.493 6.367 5.489 1.00 0.00 H new ATOM 594 N GLY A 37 -13.227 6.078 1.910 1.00 0.00 N ATOM 595 CA GLY A 37 -12.322 5.092 1.418 1.00 0.00 C ATOM 596 C GLY A 37 -11.191 5.697 0.642 1.00 0.00 C ATOM 597 O GLY A 37 -10.039 5.318 0.843 1.00 0.00 O ATOM 0 H GLY A 37 -14.172 6.002 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.921 4.520 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.862 4.391 0.782 1.00 0.00 H new ATOM 601 N LYS A 38 -11.523 6.653 -0.216 1.00 0.00 N ATOM 602 CA LYS A 38 -10.558 7.346 -1.056 1.00 0.00 C ATOM 603 C LYS A 38 -9.408 7.933 -0.278 1.00 0.00 C ATOM 604 O LYS A 38 -8.247 7.600 -0.521 1.00 0.00 O ATOM 605 CB LYS A 38 -11.230 8.443 -1.897 1.00 0.00 C ATOM 606 CG LYS A 38 -12.052 7.937 -3.074 1.00 0.00 C ATOM 607 CD LYS A 38 -12.570 9.114 -3.903 1.00 0.00 C ATOM 608 CE LYS A 38 -13.167 8.708 -5.261 1.00 0.00 C ATOM 609 NZ LYS A 38 -14.303 7.766 -5.155 1.00 0.00 N ATOM 0 H LYS A 38 -12.483 6.972 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.148 6.585 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.877 9.033 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.459 9.115 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.442 7.284 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.890 7.341 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.329 9.644 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.752 9.814 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.498 9.605 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.385 8.253 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.927 7.881 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.944 6.791 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.838 7.963 -4.285 1.00 0.00 H new ATOM 623 N GLU A 39 -9.731 8.697 0.711 1.00 0.00 N ATOM 624 CA GLU A 39 -8.747 9.496 1.395 1.00 0.00 C ATOM 625 C GLU A 39 -7.962 8.682 2.405 1.00 0.00 C ATOM 626 O GLU A 39 -6.748 8.914 2.617 1.00 0.00 O ATOM 627 CB GLU A 39 -9.437 10.687 2.035 1.00 0.00 C ATOM 628 CG GLU A 39 -10.252 11.483 1.024 1.00 0.00 C ATOM 629 CD GLU A 39 -10.948 12.666 1.616 1.00 0.00 C ATOM 630 OE1 GLU A 39 -12.014 12.502 2.240 1.00 0.00 O ATOM 631 OE2 GLU A 39 -10.446 13.801 1.463 1.00 0.00 O ATOM 0 H GLU A 39 -10.680 8.791 1.074 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.016 9.858 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.090 10.341 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.690 11.337 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.593 11.822 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.993 10.826 0.569 1.00 0.00 H new ATOM 638 N LEU A 40 -8.620 7.683 2.982 1.00 0.00 N ATOM 639 CA LEU A 40 -7.979 6.875 3.989 1.00 0.00 C ATOM 640 C LEU A 40 -6.924 5.989 3.342 1.00 0.00 C ATOM 641 O LEU A 40 -5.809 5.887 3.825 1.00 0.00 O ATOM 642 CB LEU A 40 -9.024 6.064 4.829 1.00 0.00 C ATOM 643 CG LEU A 40 -9.600 4.710 4.295 1.00 0.00 C ATOM 644 CD1 LEU A 40 -8.633 3.523 4.507 1.00 0.00 C ATOM 645 CD2 LEU A 40 -10.933 4.410 4.952 1.00 0.00 C ATOM 0 H LEU A 40 -9.583 7.423 2.768 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.473 7.528 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.567 5.859 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.872 6.724 5.010 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.735 4.829 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.085 2.611 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.698 3.717 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.433 3.403 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.322 3.466 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.799 4.338 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.638 5.210 4.726 1.00 0.00 H new ATOM 657 N LYS A 41 -7.273 5.407 2.204 1.00 0.00 N ATOM 658 CA LYS A 41 -6.384 4.500 1.505 1.00 0.00 C ATOM 659 C LYS A 41 -5.283 5.261 0.818 1.00 0.00 C ATOM 660 O LYS A 41 -4.191 4.749 0.645 1.00 0.00 O ATOM 661 CB LYS A 41 -7.174 3.645 0.535 1.00 0.00 C ATOM 662 CG LYS A 41 -8.106 2.666 1.226 1.00 0.00 C ATOM 663 CD LYS A 41 -9.258 2.300 0.350 1.00 0.00 C ATOM 664 CE LYS A 41 -10.241 1.399 1.063 1.00 0.00 C ATOM 665 NZ LYS A 41 -10.989 2.096 2.125 1.00 0.00 N ATOM 0 H LYS A 41 -8.173 5.550 1.745 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.911 3.834 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.758 4.293 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.482 3.092 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.554 1.766 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.476 3.106 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.767 3.206 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.889 1.799 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.945 0.991 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.705 0.555 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.015 1.502 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.520 2.998 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.960 2.281 1.802 1.00 0.00 H new ATOM 679 N ASP A 42 -5.570 6.498 0.453 1.00 0.00 N ATOM 680 CA ASP A 42 -4.568 7.373 -0.133 1.00 0.00 C ATOM 681 C ASP A 42 -3.399 7.537 0.825 1.00 0.00 C ATOM 682 O ASP A 42 -2.259 7.291 0.457 1.00 0.00 O ATOM 683 CB ASP A 42 -5.172 8.739 -0.490 1.00 0.00 C ATOM 684 CG ASP A 42 -4.142 9.776 -0.914 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.659 9.742 -2.078 1.00 0.00 O ATOM 686 OD2 ASP A 42 -3.815 10.655 -0.097 1.00 0.00 O ATOM 0 H ASP A 42 -6.493 6.921 0.552 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.207 6.918 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.893 8.607 -1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.722 9.118 0.371 1.00 0.00 H new ATOM 691 N HIS A 43 -3.692 7.902 2.068 1.00 0.00 N ATOM 692 CA HIS A 43 -2.630 8.092 3.068 1.00 0.00 C ATOM 693 C HIS A 43 -2.099 6.801 3.692 1.00 0.00 C ATOM 694 O HIS A 43 -0.935 6.742 4.096 1.00 0.00 O ATOM 695 CB HIS A 43 -3.008 9.087 4.149 1.00 0.00 C ATOM 696 CG HIS A 43 -2.941 10.510 3.705 1.00 0.00 C ATOM 697 ND1 HIS A 43 -1.752 11.162 3.452 1.00 0.00 N ATOM 698 CD2 HIS A 43 -3.914 11.411 3.468 1.00 0.00 C ATOM 699 CE1 HIS A 43 -1.999 12.397 3.087 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.304 12.581 3.086 1.00 0.00 N ATOM 0 H HIS A 43 -4.638 8.072 2.411 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.808 8.510 2.487 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.020 8.870 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.345 8.951 5.004 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.824 10.747 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.977 11.244 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.257 13.139 2.830 1.00 0.00 H new ATOM 709 N LEU A 44 -2.923 5.784 3.780 1.00 0.00 N ATOM 710 CA LEU A 44 -2.513 4.527 4.398 1.00 0.00 C ATOM 711 C LEU A 44 -1.603 3.735 3.439 1.00 0.00 C ATOM 712 O LEU A 44 -0.495 3.300 3.808 1.00 0.00 O ATOM 713 CB LEU A 44 -3.770 3.757 4.854 1.00 0.00 C ATOM 714 CG LEU A 44 -3.585 2.499 5.706 1.00 0.00 C ATOM 715 CD1 LEU A 44 -4.842 2.251 6.518 1.00 0.00 C ATOM 716 CD2 LEU A 44 -3.325 1.291 4.831 1.00 0.00 C ATOM 0 H LEU A 44 -3.883 5.794 3.434 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.913 4.707 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.397 4.449 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.328 3.474 3.961 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.730 2.652 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.712 1.355 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.030 3.106 7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.688 2.113 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.197 0.409 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.170 1.139 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.421 1.454 4.245 1.00 0.00 H new ATOM 728 N GLN A 45 -2.035 3.600 2.202 1.00 0.00 N ATOM 729 CA GLN A 45 -1.212 2.987 1.183 1.00 0.00 C ATOM 730 C GLN A 45 0.008 3.874 0.881 1.00 0.00 C ATOM 731 O GLN A 45 1.023 3.404 0.397 1.00 0.00 O ATOM 732 CB GLN A 45 -2.018 2.591 -0.074 1.00 0.00 C ATOM 733 CG GLN A 45 -2.689 1.185 -0.013 1.00 0.00 C ATOM 734 CD GLN A 45 -3.631 0.933 1.183 1.00 0.00 C ATOM 735 OE1 GLN A 45 -4.275 1.847 1.702 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.748 -0.331 1.591 1.00 0.00 N ATOM 0 H GLN A 45 -2.952 3.907 1.879 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.834 2.041 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.793 3.339 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.354 2.622 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.255 1.035 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.903 0.430 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.201 -1.065 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.385 -0.564 2.353 1.00 0.00 H new ATOM 745 N GLU A 46 -0.124 5.174 1.150 1.00 0.00 N ATOM 746 CA GLU A 46 1.014 6.088 1.122 1.00 0.00 C ATOM 747 C GLU A 46 2.028 5.667 2.196 1.00 0.00 C ATOM 748 O GLU A 46 3.216 5.528 1.912 1.00 0.00 O ATOM 749 CB GLU A 46 0.546 7.512 1.406 1.00 0.00 C ATOM 750 CG GLU A 46 1.638 8.545 1.538 1.00 0.00 C ATOM 751 CD GLU A 46 1.120 9.874 2.054 1.00 0.00 C ATOM 752 OE1 GLU A 46 0.595 9.925 3.192 1.00 0.00 O ATOM 753 OE2 GLU A 46 1.205 10.882 1.330 1.00 0.00 O ATOM 0 H GLU A 46 -1.011 5.616 1.390 1.00 0.00 H new ATOM 0 HA GLU A 46 1.478 6.052 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.126 7.821 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.037 7.506 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.408 8.171 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.111 8.695 0.568 1.00 0.00 H new ATOM 760 N ALA A 47 1.529 5.424 3.424 1.00 0.00 N ATOM 761 CA ALA A 47 2.362 5.039 4.588 1.00 0.00 C ATOM 762 C ALA A 47 3.181 3.821 4.302 1.00 0.00 C ATOM 763 O ALA A 47 4.208 3.621 4.909 1.00 0.00 O ATOM 764 CB ALA A 47 1.519 4.776 5.818 1.00 0.00 C ATOM 0 H ALA A 47 0.534 5.489 3.641 1.00 0.00 H new ATOM 0 HA ALA A 47 3.024 5.884 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.166 4.497 6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.963 5.677 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.820 3.965 5.614 1.00 0.00 H new ATOM 770 N LEU A 48 2.686 3.001 3.394 1.00 0.00 N ATOM 771 CA LEU A 48 3.386 1.815 2.923 1.00 0.00 C ATOM 772 C LEU A 48 4.837 2.165 2.491 1.00 0.00 C ATOM 773 O LEU A 48 5.758 1.393 2.756 1.00 0.00 O ATOM 774 CB LEU A 48 2.569 1.191 1.765 1.00 0.00 C ATOM 775 CG LEU A 48 2.911 -0.228 1.255 1.00 0.00 C ATOM 776 CD1 LEU A 48 1.801 -0.693 0.347 1.00 0.00 C ATOM 777 CD2 LEU A 48 4.222 -0.272 0.475 1.00 0.00 C ATOM 0 H LEU A 48 1.775 3.139 2.956 1.00 0.00 H new ATOM 0 HA LEU A 48 3.472 1.085 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.524 1.181 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.643 1.868 0.914 1.00 0.00 H new ATOM 0 HG LEU A 48 3.020 -0.874 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.027 -1.694 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.863 -0.714 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.709 -0.008 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.413 -1.292 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.152 0.386 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.039 0.058 1.117 1.00 0.00 H new ATOM 789 N GLU A 49 5.044 3.336 1.865 1.00 0.00 N ATOM 790 CA GLU A 49 6.401 3.702 1.451 1.00 0.00 C ATOM 791 C GLU A 49 6.478 5.190 1.133 1.00 0.00 C ATOM 792 O GLU A 49 7.272 5.923 1.716 1.00 0.00 O ATOM 793 CB GLU A 49 6.816 2.880 0.212 1.00 0.00 C ATOM 794 CG GLU A 49 8.315 2.600 0.096 1.00 0.00 C ATOM 795 CD GLU A 49 9.197 3.816 -0.092 1.00 0.00 C ATOM 796 OE1 GLU A 49 9.194 4.413 -1.174 1.00 0.00 O ATOM 797 OE2 GLU A 49 9.972 4.162 0.840 1.00 0.00 O ATOM 0 H GLU A 49 4.319 4.018 1.643 1.00 0.00 H new ATOM 0 HA GLU A 49 7.084 3.483 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.284 1.929 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.490 3.410 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.638 2.075 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.476 1.924 -0.744 1.00 0.00 H new ATOM 804 N THR A 50 5.607 5.627 0.250 1.00 0.00 N ATOM 805 CA THR A 50 5.579 6.979 -0.290 1.00 0.00 C ATOM 806 C THR A 50 5.372 8.071 0.806 1.00 0.00 C ATOM 807 O THR A 50 5.649 9.252 0.590 1.00 0.00 O ATOM 808 CB THR A 50 4.457 7.042 -1.342 1.00 0.00 C ATOM 809 OG1 THR A 50 4.565 5.872 -2.178 1.00 0.00 O ATOM 810 CG2 THR A 50 4.580 8.276 -2.221 1.00 0.00 C ATOM 0 H THR A 50 4.870 5.033 -0.129 1.00 0.00 H new ATOM 0 HA THR A 50 6.549 7.195 -0.738 1.00 0.00 H new ATOM 0 HB THR A 50 3.497 7.086 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.165 6.061 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.770 8.285 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.520 9.171 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.538 8.258 -2.741 1.00 0.00 H new ATOM 818 N GLY A 51 4.912 7.667 1.955 1.00 0.00 N ATOM 819 CA GLY A 51 4.709 8.587 3.041 1.00 0.00 C ATOM 820 C GLY A 51 5.632 8.283 4.154 1.00 0.00 C ATOM 821 O GLY A 51 6.812 8.651 4.106 1.00 0.00 O ATOM 0 H GLY A 51 4.668 6.699 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.870 9.608 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.678 8.527 3.389 1.00 0.00 H new ATOM 825 N CYS A 52 5.130 7.617 5.157 1.00 0.00 N ATOM 826 CA CYS A 52 5.953 7.234 6.263 1.00 0.00 C ATOM 827 C CYS A 52 5.355 6.087 7.051 1.00 0.00 C ATOM 828 O CYS A 52 4.239 6.171 7.587 1.00 0.00 O ATOM 829 CB CYS A 52 6.287 8.425 7.163 1.00 0.00 C ATOM 830 SG CYS A 52 4.855 9.270 7.892 1.00 0.00 S ATOM 0 H CYS A 52 4.154 7.330 5.228 1.00 0.00 H new ATOM 0 HA CYS A 52 6.892 6.873 5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.934 8.080 7.969 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.859 9.149 6.583 1.00 0.00 H new ATOM 835 N GLU A 53 6.101 5.020 7.098 1.00 0.00 N ATOM 836 CA GLU A 53 5.754 3.822 7.822 1.00 0.00 C ATOM 837 C GLU A 53 6.203 4.039 9.247 1.00 0.00 C ATOM 838 O GLU A 53 5.556 3.657 10.200 1.00 0.00 O ATOM 839 CB GLU A 53 6.522 2.587 7.261 1.00 0.00 C ATOM 840 CG GLU A 53 7.057 2.702 5.818 1.00 0.00 C ATOM 841 CD GLU A 53 8.370 3.480 5.708 1.00 0.00 C ATOM 842 OE1 GLU A 53 8.550 4.511 6.411 1.00 0.00 O ATOM 843 OE2 GLU A 53 9.268 3.048 4.966 1.00 0.00 O ATOM 0 H GLU A 53 6.999 4.954 6.618 1.00 0.00 H new ATOM 0 HA GLU A 53 4.684 3.633 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.365 2.381 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.860 1.723 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.204 1.700 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.304 3.189 5.199 1.00 0.00 H new ATOM 850 N LYS A 54 7.313 4.729 9.349 1.00 0.00 N ATOM 851 CA LYS A 54 7.986 5.050 10.604 1.00 0.00 C ATOM 852 C LYS A 54 7.306 6.193 11.395 1.00 0.00 C ATOM 853 O LYS A 54 7.911 6.785 12.283 1.00 0.00 O ATOM 854 CB LYS A 54 9.484 5.346 10.301 1.00 0.00 C ATOM 855 CG LYS A 54 9.751 6.363 9.159 1.00 0.00 C ATOM 856 CD LYS A 54 9.525 7.822 9.557 1.00 0.00 C ATOM 857 CE LYS A 54 10.624 8.332 10.482 1.00 0.00 C ATOM 858 NZ LYS A 54 11.965 8.290 9.831 1.00 0.00 N ATOM 0 H LYS A 54 7.799 5.101 8.533 1.00 0.00 H new ATOM 0 HA LYS A 54 7.911 4.187 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.953 5.719 11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.977 4.407 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.779 6.246 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.104 6.123 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.487 8.442 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.559 7.918 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.399 9.355 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.643 7.729 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.617 8.921 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.333 7.318 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.881 8.602 8.842 1.00 0.00 H new ATOM 872 N CYS A 55 6.061 6.474 11.092 1.00 0.00 N ATOM 873 CA CYS A 55 5.340 7.537 11.770 1.00 0.00 C ATOM 874 C CYS A 55 4.545 7.072 13.016 1.00 0.00 C ATOM 875 O CYS A 55 5.101 6.418 13.903 1.00 0.00 O ATOM 876 CB CYS A 55 4.490 8.354 10.791 1.00 0.00 C ATOM 877 SG CYS A 55 5.449 9.551 9.800 1.00 0.00 S ATOM 0 H CYS A 55 5.521 5.983 10.380 1.00 0.00 H new ATOM 0 HA CYS A 55 6.103 8.203 12.173 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.972 7.671 10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.724 8.891 11.351 1.00 0.00 H new ATOM 882 N THR A 56 3.261 7.380 13.062 1.00 0.00 N ATOM 883 CA THR A 56 2.433 7.155 14.225 1.00 0.00 C ATOM 884 C THR A 56 1.757 5.796 14.172 1.00 0.00 C ATOM 885 O THR A 56 1.789 5.155 13.141 1.00 0.00 O ATOM 886 CB THR A 56 1.390 8.261 14.269 1.00 0.00 C ATOM 887 OG1 THR A 56 0.902 8.461 12.926 1.00 0.00 O ATOM 888 CG2 THR A 56 1.997 9.556 14.791 1.00 0.00 C ATOM 0 H THR A 56 2.760 7.800 12.279 1.00 0.00 H new ATOM 0 HA THR A 56 3.051 7.168 15.123 1.00 0.00 H new ATOM 0 HB THR A 56 0.579 7.976 14.939 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.225 9.170 12.926 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.233 10.333 14.814 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.383 9.397 15.798 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.811 9.867 14.136 1.00 0.00 H new ATOM 896 N GLU A 57 1.116 5.406 15.269 1.00 0.00 N ATOM 897 CA GLU A 57 0.469 4.098 15.431 1.00 0.00 C ATOM 898 C GLU A 57 -0.452 3.726 14.267 1.00 0.00 C ATOM 899 O GLU A 57 -0.298 2.663 13.664 1.00 0.00 O ATOM 900 CB GLU A 57 -0.317 4.081 16.732 1.00 0.00 C ATOM 901 CG GLU A 57 -1.076 2.800 16.993 1.00 0.00 C ATOM 902 CD GLU A 57 -1.843 2.868 18.269 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.774 3.689 18.371 1.00 0.00 O ATOM 904 OE2 GLU A 57 -1.543 2.105 19.188 1.00 0.00 O ATOM 0 H GLU A 57 1.027 6.001 16.093 1.00 0.00 H new ATOM 0 HA GLU A 57 1.264 3.352 15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.371 4.255 17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.023 4.911 16.725 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.760 2.607 16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.378 1.964 17.031 1.00 0.00 H new ATOM 911 N ALA A 58 -1.381 4.602 13.937 1.00 0.00 N ATOM 912 CA ALA A 58 -2.348 4.309 12.888 1.00 0.00 C ATOM 913 C ALA A 58 -1.662 4.174 11.545 1.00 0.00 C ATOM 914 O ALA A 58 -2.006 3.298 10.742 1.00 0.00 O ATOM 915 CB ALA A 58 -3.441 5.361 12.833 1.00 0.00 C ATOM 0 H ALA A 58 -1.490 5.517 14.374 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.818 3.355 13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.146 5.112 12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.965 5.391 13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.998 6.336 12.632 1.00 0.00 H new ATOM 921 N GLN A 59 -0.653 4.996 11.328 1.00 0.00 N ATOM 922 CA GLN A 59 0.071 4.962 10.089 1.00 0.00 C ATOM 923 C GLN A 59 0.972 3.755 10.024 1.00 0.00 C ATOM 924 O GLN A 59 0.971 3.066 9.037 1.00 0.00 O ATOM 925 CB GLN A 59 0.870 6.231 9.840 1.00 0.00 C ATOM 926 CG GLN A 59 0.027 7.488 9.720 1.00 0.00 C ATOM 927 CD GLN A 59 0.841 8.702 9.304 1.00 0.00 C ATOM 928 OE1 GLN A 59 1.850 8.492 8.497 1.00 0.00 O flip ATOM 929 NE2 GLN A 59 0.538 9.832 9.687 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.323 5.691 11.997 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.675 4.892 9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.583 6.363 10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.449 6.108 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.766 7.320 8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.456 7.690 10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.254 9.962 10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.079 10.638 9.375 1.00 0.00 H new ATOM 938 N GLU A 60 1.718 3.487 11.092 1.00 0.00 N ATOM 939 CA GLU A 60 2.635 2.358 11.102 1.00 0.00 C ATOM 940 C GLU A 60 1.905 1.016 10.975 1.00 0.00 C ATOM 941 O GLU A 60 2.355 0.128 10.256 1.00 0.00 O ATOM 942 CB GLU A 60 3.579 2.345 12.318 1.00 0.00 C ATOM 943 CG GLU A 60 2.911 2.225 13.672 1.00 0.00 C ATOM 944 CD GLU A 60 3.885 1.821 14.735 1.00 0.00 C ATOM 945 OE1 GLU A 60 4.277 0.636 14.763 1.00 0.00 O ATOM 946 OE2 GLU A 60 4.285 2.665 15.559 1.00 0.00 O ATOM 0 H GLU A 60 1.704 4.033 11.954 1.00 0.00 H new ATOM 0 HA GLU A 60 3.258 2.494 10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.276 1.515 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.169 3.261 12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.455 3.179 13.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.107 1.492 13.617 1.00 0.00 H new ATOM 953 N LYS A 61 0.766 0.877 11.651 1.00 0.00 N ATOM 954 CA LYS A 61 0.004 -0.355 11.575 1.00 0.00 C ATOM 955 C LYS A 61 -0.619 -0.517 10.204 1.00 0.00 C ATOM 956 O LYS A 61 -0.633 -1.623 9.639 1.00 0.00 O ATOM 957 CB LYS A 61 -1.049 -0.463 12.688 1.00 0.00 C ATOM 958 CG LYS A 61 -0.459 -0.511 14.097 1.00 0.00 C ATOM 959 CD LYS A 61 0.542 -1.653 14.249 1.00 0.00 C ATOM 960 CE LYS A 61 1.113 -1.723 15.653 1.00 0.00 C ATOM 961 NZ LYS A 61 0.080 -2.042 16.657 1.00 0.00 N ATOM 0 H LYS A 61 0.359 1.596 12.249 1.00 0.00 H new ATOM 0 HA LYS A 61 0.703 -1.177 11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.727 0.388 12.617 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.646 -1.360 12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.033 0.436 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.262 -0.631 14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.054 -2.598 14.008 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.354 -1.522 13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.897 -2.479 15.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.578 -0.769 15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.535 -2.263 17.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.552 -1.225 16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.472 -2.863 16.338 1.00 0.00 H new ATOM 975 N GLY A 62 -1.093 0.592 9.647 1.00 0.00 N ATOM 976 CA GLY A 62 -1.652 0.574 8.314 1.00 0.00 C ATOM 977 C GLY A 62 -0.569 0.328 7.285 1.00 0.00 C ATOM 978 O GLY A 62 -0.798 -0.296 6.244 1.00 0.00 O ATOM 0 H GLY A 62 -1.099 1.506 10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.412 -0.204 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.147 1.523 8.109 1.00 0.00 H new ATOM 982 N ALA A 63 0.607 0.802 7.585 1.00 0.00 N ATOM 983 CA ALA A 63 1.736 0.608 6.741 1.00 0.00 C ATOM 984 C ALA A 63 2.157 -0.834 6.742 1.00 0.00 C ATOM 985 O ALA A 63 2.255 -1.424 5.698 1.00 0.00 O ATOM 986 CB ALA A 63 2.896 1.482 7.171 1.00 0.00 C ATOM 0 H ALA A 63 0.803 1.337 8.431 1.00 0.00 H new ATOM 0 HA ALA A 63 1.445 0.892 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.745 1.313 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.600 2.530 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.179 1.233 8.194 1.00 0.00 H new ATOM 992 N GLU A 64 2.311 -1.434 7.925 1.00 0.00 N ATOM 993 CA GLU A 64 2.884 -2.763 8.010 1.00 0.00 C ATOM 994 C GLU A 64 1.976 -3.787 7.398 1.00 0.00 C ATOM 995 O GLU A 64 2.440 -4.717 6.755 1.00 0.00 O ATOM 996 CB GLU A 64 3.308 -3.165 9.433 1.00 0.00 C ATOM 997 CG GLU A 64 2.197 -3.270 10.445 1.00 0.00 C ATOM 998 CD GLU A 64 2.669 -3.889 11.730 1.00 0.00 C ATOM 999 OE1 GLU A 64 2.735 -5.143 11.804 1.00 0.00 O ATOM 1000 OE2 GLU A 64 2.986 -3.166 12.684 1.00 0.00 O ATOM 0 H GLU A 64 2.049 -1.021 8.820 1.00 0.00 H new ATOM 0 HA GLU A 64 3.805 -2.728 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.818 -4.127 9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.035 -2.437 9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.794 -2.278 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.384 -3.867 10.031 1.00 0.00 H new ATOM 1007 N THR A 65 0.687 -3.582 7.556 1.00 0.00 N ATOM 1008 CA THR A 65 -0.292 -4.439 6.952 1.00 0.00 C ATOM 1009 C THR A 65 -0.192 -4.369 5.424 1.00 0.00 C ATOM 1010 O THR A 65 -0.136 -5.404 4.723 1.00 0.00 O ATOM 1011 CB THR A 65 -1.703 -4.025 7.396 1.00 0.00 C ATOM 1012 OG1 THR A 65 -1.804 -2.615 7.471 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.134 -4.657 8.698 1.00 0.00 C ATOM 0 H THR A 65 0.295 -2.817 8.106 1.00 0.00 H new ATOM 0 HA THR A 65 -0.100 -5.463 7.274 1.00 0.00 H new ATOM 0 HB THR A 65 -2.387 -4.400 6.634 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.581 -2.319 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.140 -4.320 8.951 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.130 -5.742 8.595 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.444 -4.365 9.490 1.00 0.00 H new ATOM 1021 N SER A 66 -0.142 -3.162 4.916 1.00 0.00 N ATOM 1022 CA SER A 66 -0.081 -2.941 3.502 1.00 0.00 C ATOM 1023 C SER A 66 1.242 -3.426 2.893 1.00 0.00 C ATOM 1024 O SER A 66 1.247 -4.047 1.840 1.00 0.00 O ATOM 1025 CB SER A 66 -0.355 -1.485 3.202 1.00 0.00 C ATOM 1026 OG SER A 66 -1.590 -1.115 3.772 1.00 0.00 O ATOM 0 H SER A 66 -0.143 -2.309 5.475 1.00 0.00 H new ATOM 0 HA SER A 66 -0.857 -3.540 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.445 -0.863 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.376 -1.322 2.125 1.00 0.00 H new ATOM 0 HG SER A 66 -1.439 -0.735 4.663 1.00 0.00 H new ATOM 1032 N ILE A 67 2.334 -3.176 3.574 1.00 0.00 N ATOM 1033 CA ILE A 67 3.648 -3.609 3.124 1.00 0.00 C ATOM 1034 C ILE A 67 3.703 -5.140 3.083 1.00 0.00 C ATOM 1035 O ILE A 67 4.161 -5.724 2.106 1.00 0.00 O ATOM 1036 CB ILE A 67 4.774 -3.048 4.064 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.736 -1.510 4.057 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.151 -3.542 3.616 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.555 -0.827 5.141 1.00 0.00 C ATOM 0 H ILE A 67 2.344 -2.667 4.458 1.00 0.00 H new ATOM 0 HA ILE A 67 3.819 -3.217 2.121 1.00 0.00 H new ATOM 0 HB ILE A 67 4.595 -3.409 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.088 -1.160 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.699 -1.190 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.916 -3.141 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.176 -4.631 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.344 -3.206 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.457 0.254 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.192 -1.137 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.603 -1.108 5.036 1.00 0.00 H new ATOM 1051 N ASP A 68 3.158 -5.765 4.120 1.00 0.00 N ATOM 1052 CA ASP A 68 3.177 -7.223 4.270 1.00 0.00 C ATOM 1053 C ASP A 68 2.501 -7.932 3.090 1.00 0.00 C ATOM 1054 O ASP A 68 3.171 -8.669 2.320 1.00 0.00 O ATOM 1055 CB ASP A 68 2.464 -7.596 5.590 1.00 0.00 C ATOM 1056 CG ASP A 68 2.373 -9.086 5.893 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.421 -9.748 5.430 1.00 0.00 O ATOM 1058 OD2 ASP A 68 3.205 -9.605 6.683 1.00 0.00 O ATOM 0 H ASP A 68 2.689 -5.278 4.884 1.00 0.00 H new ATOM 0 HA ASP A 68 4.216 -7.553 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.985 -7.108 6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.454 -7.187 5.564 1.00 0.00 H new ATOM 1063 N TYR A 69 1.226 -7.631 2.843 1.00 0.00 N ATOM 1064 CA TYR A 69 0.552 -8.380 1.812 1.00 0.00 C ATOM 1065 C TYR A 69 0.888 -7.900 0.403 1.00 0.00 C ATOM 1066 O TYR A 69 0.875 -8.693 -0.538 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.965 -8.575 2.023 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.373 -10.002 1.693 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.477 -10.449 0.378 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.603 -10.914 2.707 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.796 -11.765 0.092 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -1.931 -12.224 2.432 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.021 -12.648 1.123 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.338 -13.971 0.846 1.00 0.00 O ATOM 0 H TYR A 69 0.675 -6.915 3.317 1.00 0.00 H new ATOM 0 HA TYR A 69 0.969 -9.382 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.226 -8.346 3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.518 -7.878 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.306 -9.756 -0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.524 -10.593 3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.868 -12.097 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.117 -12.917 3.240 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.464 -14.460 1.686 1.00 0.00 H new ATOM 1084 N LEU A 70 1.221 -6.625 0.244 1.00 0.00 N ATOM 1085 CA LEU A 70 1.578 -6.135 -1.065 1.00 0.00 C ATOM 1086 C LEU A 70 2.880 -6.762 -1.555 1.00 0.00 C ATOM 1087 O LEU A 70 2.957 -7.177 -2.705 1.00 0.00 O ATOM 1088 CB LEU A 70 1.673 -4.619 -1.107 1.00 0.00 C ATOM 1089 CG LEU A 70 1.778 -4.051 -2.503 1.00 0.00 C ATOM 1090 CD1 LEU A 70 0.469 -4.237 -3.261 1.00 0.00 C ATOM 1091 CD2 LEU A 70 2.202 -2.606 -2.496 1.00 0.00 C ATOM 0 H LEU A 70 1.249 -5.932 0.991 1.00 0.00 H new ATOM 0 HA LEU A 70 0.773 -6.432 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.795 -4.196 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.542 -4.303 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 70 2.558 -4.607 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.567 -3.821 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.236 -5.300 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.334 -3.724 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.264 -2.240 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.472 -2.015 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.178 -2.515 -2.019 1.00 0.00 H new ATOM 1103 N ILE A 71 3.886 -6.868 -0.688 1.00 0.00 N ATOM 1104 CA ILE A 71 5.155 -7.464 -1.107 1.00 0.00 C ATOM 1105 C ILE A 71 4.961 -8.955 -1.425 1.00 0.00 C ATOM 1106 O ILE A 71 5.542 -9.481 -2.387 1.00 0.00 O ATOM 1107 CB ILE A 71 6.308 -7.280 -0.052 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.572 -5.789 0.235 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.606 -7.949 -0.529 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.023 -4.981 -0.966 1.00 0.00 C ATOM 0 H ILE A 71 3.852 -6.559 0.283 1.00 0.00 H new ATOM 0 HA ILE A 71 5.467 -6.930 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 71 5.979 -7.761 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.661 -5.343 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.331 -5.712 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.385 -7.806 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.434 -9.015 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.921 -7.501 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.184 -3.945 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.953 -5.395 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.257 -5.021 -1.740 1.00 0.00 H new ATOM 1122 N LYS A 72 4.108 -9.628 -0.665 1.00 0.00 N ATOM 1123 CA LYS A 72 3.896 -11.054 -0.902 1.00 0.00 C ATOM 1124 C LYS A 72 2.835 -11.352 -1.987 1.00 0.00 C ATOM 1125 O LYS A 72 2.610 -12.522 -2.317 1.00 0.00 O ATOM 1126 CB LYS A 72 3.578 -11.801 0.393 1.00 0.00 C ATOM 1127 CG LYS A 72 2.296 -11.363 1.041 1.00 0.00 C ATOM 1128 CD LYS A 72 2.088 -11.977 2.420 1.00 0.00 C ATOM 1129 CE LYS A 72 1.988 -13.491 2.380 1.00 0.00 C ATOM 1130 NZ LYS A 72 1.716 -14.057 3.718 1.00 0.00 N ATOM 0 H LYS A 72 3.565 -9.227 0.100 1.00 0.00 H new ATOM 0 HA LYS A 72 4.843 -11.427 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.522 -12.869 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.398 -11.657 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.292 -10.277 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.459 -11.634 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.915 -11.689 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.179 -11.569 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.195 -13.785 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.917 -13.907 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.654 -15.093 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.485 -13.797 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.816 -13.679 4.078 1.00 0.00 H new ATOM 1144 N ASN A 73 2.165 -10.337 -2.533 1.00 0.00 N ATOM 1145 CA ASN A 73 1.206 -10.618 -3.622 1.00 0.00 C ATOM 1146 C ASN A 73 1.447 -9.746 -4.844 1.00 0.00 C ATOM 1147 O ASN A 73 1.784 -10.264 -5.914 1.00 0.00 O ATOM 1148 CB ASN A 73 -0.282 -10.462 -3.164 1.00 0.00 C ATOM 1149 CG ASN A 73 -1.339 -10.887 -4.241 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -1.114 -10.825 -5.449 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -2.512 -11.287 -3.806 1.00 0.00 N ATOM 0 H ASN A 73 2.254 -9.357 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 73 1.379 -11.659 -3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.437 -11.059 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.458 -9.422 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.241 -11.548 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.694 -11.337 -2.804 1.00 0.00 H new ATOM 1158 N GLU A 74 1.395 -8.439 -4.697 1.00 0.00 N ATOM 1159 CA GLU A 74 1.427 -7.614 -5.874 1.00 0.00 C ATOM 1160 C GLU A 74 2.477 -6.517 -5.785 1.00 0.00 C ATOM 1161 O GLU A 74 2.181 -5.343 -5.558 1.00 0.00 O ATOM 1162 CB GLU A 74 0.039 -7.054 -6.206 1.00 0.00 C ATOM 1163 CG GLU A 74 -0.129 -6.695 -7.673 1.00 0.00 C ATOM 1164 CD GLU A 74 0.001 -7.917 -8.565 1.00 0.00 C ATOM 1165 OE1 GLU A 74 1.147 -8.352 -8.852 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -1.033 -8.478 -8.986 1.00 0.00 O ATOM 0 H GLU A 74 1.333 -7.944 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 74 1.725 -8.257 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.717 -7.789 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.142 -6.167 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.105 -6.234 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.621 -5.956 -7.956 1.00 0.00 H new ATOM 1173 N LEU A 75 3.703 -6.923 -5.967 1.00 0.00 N ATOM 1174 CA LEU A 75 4.876 -6.052 -5.913 1.00 0.00 C ATOM 1175 C LEU A 75 4.798 -4.911 -6.954 1.00 0.00 C ATOM 1176 O LEU A 75 5.453 -3.881 -6.810 1.00 0.00 O ATOM 1177 CB LEU A 75 6.140 -6.893 -6.147 1.00 0.00 C ATOM 1178 CG LEU A 75 7.480 -6.166 -6.035 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.711 -5.684 -4.615 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.612 -7.066 -6.488 1.00 0.00 C ATOM 0 H LEU A 75 3.935 -7.896 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 75 4.910 -5.588 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.138 -7.715 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.075 -7.335 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 75 7.454 -5.294 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.670 -5.169 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.913 -4.998 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.716 -6.538 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.558 -6.532 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.640 -7.958 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.453 -7.356 -7.527 1.00 0.00 H new ATOM 1192 N GLU A 76 3.972 -5.097 -7.970 1.00 0.00 N ATOM 1193 CA GLU A 76 3.798 -4.122 -9.046 1.00 0.00 C ATOM 1194 C GLU A 76 3.331 -2.759 -8.529 1.00 0.00 C ATOM 1195 O GLU A 76 3.803 -1.715 -8.993 1.00 0.00 O ATOM 1196 CB GLU A 76 2.816 -4.655 -10.083 1.00 0.00 C ATOM 1197 CG GLU A 76 3.282 -5.933 -10.753 1.00 0.00 C ATOM 1198 CD GLU A 76 4.598 -5.751 -11.460 1.00 0.00 C ATOM 1199 OE1 GLU A 76 4.602 -5.236 -12.590 1.00 0.00 O ATOM 1200 OE2 GLU A 76 5.648 -6.105 -10.894 1.00 0.00 O ATOM 0 H GLU A 76 3.397 -5.933 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 76 4.774 -3.974 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.854 -4.835 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.654 -3.892 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.378 -6.720 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.529 -6.263 -11.468 1.00 0.00 H new ATOM 1207 N ILE A 77 2.453 -2.767 -7.545 1.00 0.00 N ATOM 1208 CA ILE A 77 1.925 -1.522 -7.000 1.00 0.00 C ATOM 1209 C ILE A 77 2.973 -0.863 -6.115 1.00 0.00 C ATOM 1210 O ILE A 77 3.088 0.360 -6.071 1.00 0.00 O ATOM 1211 CB ILE A 77 0.618 -1.752 -6.219 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.382 -2.490 -7.114 1.00 0.00 C ATOM 1213 CG2 ILE A 77 0.029 -0.420 -5.733 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -1.687 -2.796 -6.443 1.00 0.00 C ATOM 0 H ILE A 77 2.089 -3.613 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 77 1.690 -0.858 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 77 0.831 -2.359 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.574 -1.887 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.068 -3.423 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.894 -0.609 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.745 0.077 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.183 0.218 -6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.341 -3.319 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.509 -3.426 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.161 -1.866 -6.128 1.00 0.00 H new ATOM 1226 N TRP A 78 3.781 -1.690 -5.459 1.00 0.00 N ATOM 1227 CA TRP A 78 4.892 -1.200 -4.655 1.00 0.00 C ATOM 1228 C TRP A 78 5.833 -0.436 -5.567 1.00 0.00 C ATOM 1229 O TRP A 78 6.338 0.633 -5.221 1.00 0.00 O ATOM 1230 CB TRP A 78 5.631 -2.373 -3.988 1.00 0.00 C ATOM 1231 CG TRP A 78 6.863 -1.970 -3.233 1.00 0.00 C ATOM 1232 CD1 TRP A 78 6.934 -1.569 -1.935 1.00 0.00 C ATOM 1233 CD2 TRP A 78 8.209 -1.925 -3.741 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.231 -1.280 -1.604 1.00 0.00 N ATOM 1235 CE2 TRP A 78 9.032 -1.488 -2.698 1.00 0.00 C ATOM 1236 CE3 TRP A 78 8.788 -2.210 -4.984 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 10.400 -1.330 -2.854 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.145 -2.053 -5.136 1.00 0.00 C ATOM 1239 CH2 TRP A 78 10.939 -1.615 -4.077 1.00 0.00 C ATOM 0 H TRP A 78 3.685 -2.705 -5.470 1.00 0.00 H new ATOM 0 HA TRP A 78 4.521 -0.547 -3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.948 -2.878 -3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 78 5.908 -3.097 -4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.091 -1.490 -1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.551 -0.961 -0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.178 -2.547 -5.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 11.020 -0.993 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.603 -2.272 -6.089 1.00 0.00 H new ATOM 0 HH2 TRP A 78 12.002 -1.499 -4.226 1.00 0.00 H new ATOM 1250 N LYS A 79 6.033 -0.989 -6.750 1.00 0.00 N ATOM 1251 CA LYS A 79 6.851 -0.381 -7.765 1.00 0.00 C ATOM 1252 C LYS A 79 6.292 0.971 -8.196 1.00 0.00 C ATOM 1253 O LYS A 79 7.051 1.892 -8.454 1.00 0.00 O ATOM 1254 CB LYS A 79 7.019 -1.323 -8.954 1.00 0.00 C ATOM 1255 CG LYS A 79 7.871 -2.537 -8.638 1.00 0.00 C ATOM 1256 CD LYS A 79 7.955 -3.487 -9.815 1.00 0.00 C ATOM 1257 CE LYS A 79 9.023 -4.542 -9.593 1.00 0.00 C ATOM 1258 NZ LYS A 79 10.367 -3.934 -9.446 1.00 0.00 N ATOM 0 H LYS A 79 5.625 -1.881 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 79 7.838 -0.198 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.036 -1.654 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.470 -0.776 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.874 -2.214 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.454 -3.060 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.989 -3.969 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.177 -2.926 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.785 -5.120 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.028 -5.238 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.094 -4.638 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.451 -3.119 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.499 -3.617 -8.464 1.00 0.00 H new ATOM 1272 N GLU A 80 4.975 1.095 -8.233 1.00 0.00 N ATOM 1273 CA GLU A 80 4.342 2.361 -8.596 1.00 0.00 C ATOM 1274 C GLU A 80 4.525 3.389 -7.480 1.00 0.00 C ATOM 1275 O GLU A 80 4.822 4.566 -7.738 1.00 0.00 O ATOM 1276 CB GLU A 80 2.857 2.185 -8.855 1.00 0.00 C ATOM 1277 CG GLU A 80 2.519 1.096 -9.833 1.00 0.00 C ATOM 1278 CD GLU A 80 1.082 1.125 -10.227 1.00 0.00 C ATOM 1279 OE1 GLU A 80 0.220 0.789 -9.405 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.793 1.497 -11.380 1.00 0.00 O ATOM 0 H GLU A 80 4.323 0.341 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 80 4.823 2.711 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.359 1.973 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.452 3.127 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.141 1.201 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.755 0.127 -9.392 1.00 0.00 H new ATOM 1287 N LEU A 81 4.344 2.941 -6.250 1.00 0.00 N ATOM 1288 CA LEU A 81 4.477 3.796 -5.074 1.00 0.00 C ATOM 1289 C LEU A 81 5.905 4.312 -4.939 1.00 0.00 C ATOM 1290 O LEU A 81 6.133 5.513 -4.707 1.00 0.00 O ATOM 1291 CB LEU A 81 4.057 3.037 -3.809 1.00 0.00 C ATOM 1292 CG LEU A 81 2.600 2.556 -3.762 1.00 0.00 C ATOM 1293 CD1 LEU A 81 2.345 1.762 -2.497 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.633 3.732 -3.852 1.00 0.00 C ATOM 0 H LEU A 81 4.100 1.974 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 81 3.816 4.654 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.708 2.170 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.233 3.681 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 81 2.430 1.909 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.307 1.429 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.005 0.895 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.539 2.390 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.608 3.364 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.804 4.409 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.795 4.265 -4.789 1.00 0.00 H new ATOM 1306 N THR A 82 6.858 3.425 -5.128 1.00 0.00 N ATOM 1307 CA THR A 82 8.249 3.784 -5.059 1.00 0.00 C ATOM 1308 C THR A 82 8.651 4.662 -6.234 1.00 0.00 C ATOM 1309 O THR A 82 9.483 5.534 -6.096 1.00 0.00 O ATOM 1310 CB THR A 82 9.156 2.545 -4.953 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.793 1.579 -5.954 1.00 0.00 O ATOM 1312 CG2 THR A 82 9.032 1.925 -3.583 1.00 0.00 C ATOM 0 H THR A 82 6.687 2.440 -5.333 1.00 0.00 H new ATOM 0 HA THR A 82 8.387 4.364 -4.146 1.00 0.00 H new ATOM 0 HB THR A 82 10.189 2.855 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.987 1.099 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.678 1.049 -3.520 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.330 2.651 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.998 1.626 -3.411 1.00 0.00 H new ATOM 1320 N ALA A 83 7.997 4.469 -7.371 1.00 0.00 N ATOM 1321 CA ALA A 83 8.244 5.281 -8.557 1.00 0.00 C ATOM 1322 C ALA A 83 7.756 6.703 -8.344 1.00 0.00 C ATOM 1323 O ALA A 83 8.217 7.637 -8.997 1.00 0.00 O ATOM 1324 CB ALA A 83 7.560 4.686 -9.769 1.00 0.00 C ATOM 0 H ALA A 83 7.285 3.750 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 83 9.320 5.296 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.759 5.309 -10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.943 3.681 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.485 4.639 -9.594 1.00 0.00 H new ATOM 1330 N HIS A 84 6.808 6.859 -7.453 1.00 0.00 N ATOM 1331 CA HIS A 84 6.281 8.164 -7.136 1.00 0.00 C ATOM 1332 C HIS A 84 7.082 8.771 -5.976 1.00 0.00 C ATOM 1333 O HIS A 84 7.043 9.978 -5.739 1.00 0.00 O ATOM 1334 CB HIS A 84 4.779 8.061 -6.785 1.00 0.00 C ATOM 1335 CG HIS A 84 4.040 9.378 -6.751 1.00 0.00 C ATOM 1336 ND1 HIS A 84 3.370 9.890 -7.841 1.00 0.00 N ATOM 1337 CD2 HIS A 84 3.853 10.276 -5.755 1.00 0.00 C ATOM 1338 CE1 HIS A 84 2.812 11.033 -7.521 1.00 0.00 C ATOM 1339 NE2 HIS A 84 3.088 11.289 -6.265 1.00 0.00 N ATOM 0 H HIS A 84 6.383 6.093 -6.931 1.00 0.00 H new ATOM 0 HA HIS A 84 6.377 8.818 -8.003 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.295 7.409 -7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.681 7.581 -5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.236 10.206 -4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.226 11.657 -8.179 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.781 12.114 -5.749 1.00 0.00 H new ATOM 1348 N PHE A 85 7.804 7.933 -5.252 1.00 0.00 N ATOM 1349 CA PHE A 85 8.597 8.413 -4.146 1.00 0.00 C ATOM 1350 C PHE A 85 10.084 8.497 -4.517 1.00 0.00 C ATOM 1351 O PHE A 85 10.563 9.552 -4.945 1.00 0.00 O ATOM 1352 CB PHE A 85 8.380 7.558 -2.889 1.00 0.00 C ATOM 1353 CG PHE A 85 8.987 8.144 -1.638 1.00 0.00 C ATOM 1354 CD1 PHE A 85 8.464 9.294 -1.078 1.00 0.00 C ATOM 1355 CD2 PHE A 85 10.065 7.542 -1.021 1.00 0.00 C ATOM 1356 CE1 PHE A 85 9.006 9.830 0.069 1.00 0.00 C ATOM 1357 CE2 PHE A 85 10.614 8.075 0.128 1.00 0.00 C ATOM 1358 CZ PHE A 85 10.082 9.221 0.674 1.00 0.00 C ATOM 0 H PHE A 85 7.854 6.927 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 85 8.260 9.424 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.310 7.424 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.804 6.568 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.620 9.779 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.485 6.641 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.586 10.730 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.459 7.594 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.507 9.641 1.574 1.00 0.00 H new ATOM 1368 N ASP A 86 10.783 7.385 -4.443 1.00 0.00 N ATOM 1369 CA ASP A 86 12.221 7.366 -4.687 1.00 0.00 C ATOM 1370 C ASP A 86 12.662 6.140 -5.495 1.00 0.00 C ATOM 1371 O ASP A 86 12.977 5.084 -4.933 1.00 0.00 O ATOM 1372 CB ASP A 86 13.015 7.480 -3.373 1.00 0.00 C ATOM 1373 CG ASP A 86 14.486 7.200 -3.560 1.00 0.00 C ATOM 1374 OD1 ASP A 86 15.124 7.890 -4.360 1.00 0.00 O ATOM 1375 OD2 ASP A 86 15.015 6.278 -2.904 1.00 0.00 O ATOM 0 H ASP A 86 10.382 6.475 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 86 12.445 8.243 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.889 8.481 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.606 6.782 -2.643 1.00 0.00 H new ATOM 1380 N PRO A 87 12.516 6.209 -6.820 1.00 0.00 N ATOM 1381 CA PRO A 87 13.013 5.178 -7.711 1.00 0.00 C ATOM 1382 C PRO A 87 14.530 5.276 -7.968 1.00 0.00 C ATOM 1383 O PRO A 87 15.213 4.262 -8.199 1.00 0.00 O ATOM 1384 CB PRO A 87 12.221 5.400 -9.003 1.00 0.00 C ATOM 1385 CG PRO A 87 11.851 6.846 -8.999 1.00 0.00 C ATOM 1386 CD PRO A 87 11.839 7.302 -7.562 1.00 0.00 C ATOM 0 HA PRO A 87 12.879 4.185 -7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.820 5.150 -9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.334 4.768 -9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.567 7.427 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.873 6.994 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.365 8.249 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.821 7.455 -7.203 1.00 0.00 H new ATOM 1394 N ASP A 88 15.051 6.498 -7.911 1.00 0.00 N ATOM 1395 CA ASP A 88 16.411 6.772 -8.376 1.00 0.00 C ATOM 1396 C ASP A 88 17.450 6.721 -7.279 1.00 0.00 C ATOM 1397 O ASP A 88 18.630 6.529 -7.566 1.00 0.00 O ATOM 1398 CB ASP A 88 16.495 8.167 -9.029 1.00 0.00 C ATOM 1399 CG ASP A 88 15.564 8.372 -10.201 1.00 0.00 C ATOM 1400 OD1 ASP A 88 15.886 7.961 -11.330 1.00 0.00 O ATOM 1401 OD2 ASP A 88 14.492 8.972 -10.022 1.00 0.00 O ATOM 0 H ASP A 88 14.556 7.313 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 88 16.628 5.981 -9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 88 16.277 8.921 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 88 17.519 8.336 -9.362 1.00 0.00 H new ATOM 1406 N GLY A 89 17.046 6.881 -6.048 1.00 0.00 N ATOM 1407 CA GLY A 89 18.008 6.918 -4.975 1.00 0.00 C ATOM 1408 C GLY A 89 18.247 5.571 -4.364 1.00 0.00 C ATOM 1409 O GLY A 89 19.174 4.843 -4.772 1.00 0.00 O ATOM 0 H GLY A 89 16.072 6.987 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.951 7.314 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.660 7.605 -4.204 1.00 0.00 H new ATOM 1413 N LYS A 90 17.464 5.237 -3.372 1.00 0.00 N ATOM 1414 CA LYS A 90 17.600 3.971 -2.720 1.00 0.00 C ATOM 1415 C LYS A 90 16.955 2.895 -3.567 1.00 0.00 C ATOM 1416 O LYS A 90 17.651 2.137 -4.267 1.00 0.00 O ATOM 1417 CB LYS A 90 16.979 3.986 -1.307 1.00 0.00 C ATOM 1418 CG LYS A 90 17.609 4.970 -0.331 1.00 0.00 C ATOM 1419 CD LYS A 90 19.088 4.692 -0.123 1.00 0.00 C ATOM 1420 CE LYS A 90 19.658 5.577 0.972 1.00 0.00 C ATOM 1421 NZ LYS A 90 21.107 5.376 1.151 1.00 0.00 N ATOM 0 H LYS A 90 16.723 5.831 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 90 18.663 3.759 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.918 4.217 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.052 2.984 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.479 5.986 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.091 4.914 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.232 3.644 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.629 4.864 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.465 6.622 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.145 5.367 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.453 6.000 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 21.291 4.385 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 21.601 5.601 0.264 1.00 0.00 H new ATOM 1435 N TRP A 91 15.608 2.915 -3.565 1.00 0.00 N ATOM 1436 CA TRP A 91 14.710 1.942 -4.226 1.00 0.00 C ATOM 1437 C TRP A 91 14.955 0.479 -3.750 1.00 0.00 C ATOM 1438 O TRP A 91 14.093 -0.155 -3.126 1.00 0.00 O ATOM 1439 CB TRP A 91 14.800 2.065 -5.754 1.00 0.00 C ATOM 1440 CG TRP A 91 13.718 1.328 -6.472 1.00 0.00 C ATOM 1441 CD1 TRP A 91 12.408 1.693 -6.547 1.00 0.00 C ATOM 1442 CD2 TRP A 91 13.843 0.120 -7.225 1.00 0.00 C ATOM 1443 NE1 TRP A 91 11.709 0.782 -7.285 1.00 0.00 N ATOM 1444 CE2 TRP A 91 12.565 -0.196 -7.714 1.00 0.00 C ATOM 1445 CE3 TRP A 91 14.910 -0.729 -7.528 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 12.326 -1.322 -8.487 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 14.671 -1.844 -8.299 1.00 0.00 C ATOM 1448 CH2 TRP A 91 13.387 -2.133 -8.769 1.00 0.00 C ATOM 0 H TRP A 91 15.089 3.646 -3.079 1.00 0.00 H new ATOM 0 HA TRP A 91 13.692 2.191 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 91 14.757 3.119 -6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 91 15.768 1.688 -6.085 1.00 0.00 H new ATOM 0 HD1 TRP A 91 11.984 2.575 -6.089 1.00 0.00 H new ATOM 0 HE1 TRP A 91 10.710 0.823 -7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.904 -0.515 -7.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 11.336 -1.549 -8.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 15.488 -2.506 -8.545 1.00 0.00 H new ATOM 0 HH2 TRP A 91 13.231 -3.018 -9.369 1.00 0.00 H new ATOM 1459 N ARG A 92 16.142 0.016 -3.997 1.00 0.00 N ATOM 1460 CA ARG A 92 16.614 -1.321 -3.692 1.00 0.00 C ATOM 1461 C ARG A 92 16.519 -1.607 -2.189 1.00 0.00 C ATOM 1462 O ARG A 92 15.989 -2.646 -1.776 1.00 0.00 O ATOM 1463 CB ARG A 92 18.055 -1.400 -4.159 1.00 0.00 C ATOM 1464 CG ARG A 92 18.218 -1.197 -5.649 1.00 0.00 C ATOM 1465 CD ARG A 92 19.608 -0.706 -6.000 1.00 0.00 C ATOM 1466 NE ARG A 92 19.813 0.703 -5.593 1.00 0.00 N ATOM 1467 CZ ARG A 92 20.912 1.425 -5.864 1.00 0.00 C ATOM 1468 NH1 ARG A 92 21.980 0.842 -6.409 1.00 0.00 N ATOM 1469 NH2 ARG A 92 20.944 2.726 -5.576 1.00 0.00 N ATOM 0 H ARG A 92 16.859 0.588 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 92 16.000 -2.067 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.641 -0.648 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.464 -2.373 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.022 -2.136 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.478 -0.478 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.350 -1.337 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.766 -0.801 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 92 19.065 1.158 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.964 -0.156 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.813 1.394 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.133 3.174 -5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.779 3.274 -5.782 1.00 0.00 H new ATOM 1483 N LYS A 93 17.013 -0.663 -1.377 1.00 0.00 N ATOM 1484 CA LYS A 93 16.956 -0.774 0.081 1.00 0.00 C ATOM 1485 C LYS A 93 15.523 -0.923 0.552 1.00 0.00 C ATOM 1486 O LYS A 93 15.243 -1.718 1.428 1.00 0.00 O ATOM 1487 CB LYS A 93 17.587 0.451 0.770 1.00 0.00 C ATOM 1488 CG LYS A 93 17.487 0.409 2.296 1.00 0.00 C ATOM 1489 CD LYS A 93 18.048 1.660 2.949 1.00 0.00 C ATOM 1490 CE LYS A 93 17.914 1.597 4.469 1.00 0.00 C ATOM 1491 NZ LYS A 93 16.496 1.526 4.915 1.00 0.00 N ATOM 0 H LYS A 93 17.459 0.191 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 93 17.527 -1.661 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.637 0.519 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.098 1.355 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.443 0.289 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.024 -0.464 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.098 1.775 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.523 2.537 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.453 0.726 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.386 2.476 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.444 1.706 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.937 2.242 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.115 0.580 4.710 1.00 0.00 H new ATOM 1505 N LYS A 94 14.620 -0.185 -0.083 1.00 0.00 N ATOM 1506 CA LYS A 94 13.210 -0.176 0.291 1.00 0.00 C ATOM 1507 C LYS A 94 12.639 -1.570 0.185 1.00 0.00 C ATOM 1508 O LYS A 94 11.938 -2.033 1.079 1.00 0.00 O ATOM 1509 CB LYS A 94 12.425 0.742 -0.632 1.00 0.00 C ATOM 1510 CG LYS A 94 12.877 2.182 -0.650 1.00 0.00 C ATOM 1511 CD LYS A 94 12.096 2.944 -1.698 1.00 0.00 C ATOM 1512 CE LYS A 94 12.459 4.409 -1.732 1.00 0.00 C ATOM 1513 NZ LYS A 94 12.120 5.080 -0.471 1.00 0.00 N ATOM 0 H LYS A 94 14.844 0.423 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 94 13.131 0.182 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.485 0.347 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.375 0.712 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.726 2.634 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.944 2.236 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.281 2.503 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.029 2.841 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.526 4.515 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.936 4.895 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.522 5.907 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.605 4.420 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.992 5.389 0.003 1.00 0.00 H new ATOM 1527 N TYR A 95 12.969 -2.240 -0.912 1.00 0.00 N ATOM 1528 CA TYR A 95 12.498 -3.589 -1.159 1.00 0.00 C ATOM 1529 C TYR A 95 12.991 -4.562 -0.092 1.00 0.00 C ATOM 1530 O TYR A 95 12.188 -5.213 0.577 1.00 0.00 O ATOM 1531 CB TYR A 95 12.938 -4.068 -2.557 1.00 0.00 C ATOM 1532 CG TYR A 95 12.559 -5.503 -2.866 1.00 0.00 C ATOM 1533 CD1 TYR A 95 11.247 -5.852 -3.149 1.00 0.00 C ATOM 1534 CD2 TYR A 95 13.518 -6.510 -2.867 1.00 0.00 C ATOM 1535 CE1 TYR A 95 10.904 -7.160 -3.424 1.00 0.00 C ATOM 1536 CE2 TYR A 95 13.179 -7.815 -3.141 1.00 0.00 C ATOM 1537 CZ TYR A 95 11.874 -8.135 -3.417 1.00 0.00 C ATOM 1538 OH TYR A 95 11.537 -9.438 -3.694 1.00 0.00 O ATOM 0 H TYR A 95 13.566 -1.864 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 95 11.409 -3.568 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 95 12.494 -3.416 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 95 14.020 -3.963 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.483 -5.089 -3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.547 -6.263 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.878 -7.417 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.937 -8.584 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 95 12.349 -9.952 -3.885 1.00 0.00 H new ATOM 1548 N GLU A 96 14.298 -4.614 0.089 1.00 0.00 N ATOM 1549 CA GLU A 96 14.906 -5.588 0.990 1.00 0.00 C ATOM 1550 C GLU A 96 14.537 -5.310 2.431 1.00 0.00 C ATOM 1551 O GLU A 96 13.966 -6.160 3.112 1.00 0.00 O ATOM 1552 CB GLU A 96 16.419 -5.542 0.872 1.00 0.00 C ATOM 1553 CG GLU A 96 16.950 -5.689 -0.531 1.00 0.00 C ATOM 1554 CD GLU A 96 18.443 -5.634 -0.557 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.025 -4.640 -0.076 1.00 0.00 O ATOM 1556 OE2 GLU A 96 19.080 -6.581 -1.077 1.00 0.00 O ATOM 0 H GLU A 96 14.963 -3.995 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 96 14.531 -6.571 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.772 -4.596 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.842 -6.334 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.612 -6.636 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.544 -4.897 -1.160 1.00 0.00 H new ATOM 1563 N ASP A 97 14.794 -4.094 2.850 1.00 0.00 N ATOM 1564 CA ASP A 97 14.633 -3.683 4.237 1.00 0.00 C ATOM 1565 C ASP A 97 13.208 -3.803 4.719 1.00 0.00 C ATOM 1566 O ASP A 97 12.958 -4.414 5.753 1.00 0.00 O ATOM 1567 CB ASP A 97 15.161 -2.266 4.437 1.00 0.00 C ATOM 1568 CG ASP A 97 14.896 -1.705 5.809 1.00 0.00 C ATOM 1569 OD1 ASP A 97 15.575 -2.100 6.767 1.00 0.00 O ATOM 1570 OD2 ASP A 97 14.065 -0.787 5.925 1.00 0.00 O ATOM 0 H ASP A 97 15.125 -3.349 2.236 1.00 0.00 H new ATOM 0 HA ASP A 97 15.223 -4.369 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 97 16.235 -2.260 4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.707 -1.611 3.693 1.00 0.00 H new ATOM 1575 N ARG A 98 12.263 -3.283 3.955 1.00 0.00 N ATOM 1576 CA ARG A 98 10.887 -3.323 4.395 1.00 0.00 C ATOM 1577 C ARG A 98 10.315 -4.725 4.372 1.00 0.00 C ATOM 1578 O ARG A 98 9.538 -5.080 5.247 1.00 0.00 O ATOM 1579 CB ARG A 98 9.990 -2.323 3.662 1.00 0.00 C ATOM 1580 CG ARG A 98 10.357 -0.862 3.916 1.00 0.00 C ATOM 1581 CD ARG A 98 10.404 -0.554 5.412 1.00 0.00 C ATOM 1582 NE ARG A 98 10.610 0.869 5.675 1.00 0.00 N ATOM 1583 CZ ARG A 98 11.398 1.389 6.623 1.00 0.00 C ATOM 1584 NH1 ARG A 98 12.151 0.613 7.385 1.00 0.00 N ATOM 1585 NH2 ARG A 98 11.425 2.702 6.788 1.00 0.00 N ATOM 0 H ARG A 98 12.420 -2.840 3.050 1.00 0.00 H new ATOM 0 HA ARG A 98 10.902 -3.004 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.042 -2.520 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.956 -2.486 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.326 -0.645 3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.628 -0.212 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.473 -0.877 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.207 -1.128 5.875 1.00 0.00 H new ATOM 0 HE ARG A 98 10.106 1.527 5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.137 -0.399 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.746 1.026 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.850 3.302 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.021 3.114 7.506 1.00 0.00 H new ATOM 1599 N ALA A 99 10.724 -5.537 3.413 1.00 0.00 N ATOM 1600 CA ALA A 99 10.262 -6.904 3.360 1.00 0.00 C ATOM 1601 C ALA A 99 10.824 -7.697 4.541 1.00 0.00 C ATOM 1602 O ALA A 99 10.073 -8.345 5.275 1.00 0.00 O ATOM 1603 CB ALA A 99 10.646 -7.547 2.043 1.00 0.00 C ATOM 0 H ALA A 99 11.369 -5.273 2.669 1.00 0.00 H new ATOM 0 HA ALA A 99 9.174 -6.908 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.289 -8.577 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.195 -6.990 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.731 -7.537 1.936 1.00 0.00 H new ATOM 1609 N LYS A 100 12.129 -7.575 4.771 1.00 0.00 N ATOM 1610 CA LYS A 100 12.797 -8.298 5.856 1.00 0.00 C ATOM 1611 C LYS A 100 12.296 -7.853 7.221 1.00 0.00 C ATOM 1612 O LYS A 100 12.167 -8.666 8.131 1.00 0.00 O ATOM 1613 CB LYS A 100 14.322 -8.142 5.795 1.00 0.00 C ATOM 1614 CG LYS A 100 14.990 -8.727 4.550 1.00 0.00 C ATOM 1615 CD LYS A 100 14.779 -10.235 4.408 1.00 0.00 C ATOM 1616 CE LYS A 100 15.312 -11.018 5.599 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.249 -12.471 5.364 1.00 0.00 N ATOM 0 H LYS A 100 12.749 -6.981 4.220 1.00 0.00 H new ATOM 0 HA LYS A 100 12.550 -9.350 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.565 -7.081 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.755 -8.616 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.597 -8.226 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.059 -8.518 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.715 -10.439 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.272 -10.583 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.343 -10.725 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.734 -10.767 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.651 -12.973 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.258 -12.759 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.793 -12.708 4.510 1.00 0.00 H new ATOM 1631 N ALA A 101 12.005 -6.572 7.360 1.00 0.00 N ATOM 1632 CA ALA A 101 11.514 -6.026 8.624 1.00 0.00 C ATOM 1633 C ALA A 101 10.094 -6.494 8.926 1.00 0.00 C ATOM 1634 O ALA A 101 9.644 -6.461 10.066 1.00 0.00 O ATOM 1635 CB ALA A 101 11.585 -4.508 8.621 1.00 0.00 C ATOM 0 H ALA A 101 12.099 -5.884 6.613 1.00 0.00 H new ATOM 0 HA ALA A 101 12.163 -6.403 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.214 -4.125 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.619 -4.192 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.973 -4.117 7.809 1.00 0.00 H new ATOM 1641 N LYS A 102 9.369 -6.894 7.910 1.00 0.00 N ATOM 1642 CA LYS A 102 8.024 -7.413 8.108 1.00 0.00 C ATOM 1643 C LYS A 102 8.054 -8.936 8.210 1.00 0.00 C ATOM 1644 O LYS A 102 7.094 -9.557 8.653 1.00 0.00 O ATOM 1645 CB LYS A 102 7.119 -6.977 6.973 1.00 0.00 C ATOM 1646 CG LYS A 102 6.956 -5.464 6.791 1.00 0.00 C ATOM 1647 CD LYS A 102 6.049 -4.775 7.826 1.00 0.00 C ATOM 1648 CE LYS A 102 6.788 -4.024 8.968 1.00 0.00 C ATOM 1649 NZ LYS A 102 7.318 -4.884 10.058 1.00 0.00 N ATOM 0 H LYS A 102 9.680 -6.873 6.939 1.00 0.00 H new ATOM 0 HA LYS A 102 7.629 -7.010 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.506 -7.396 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.133 -7.413 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.942 -5.001 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.554 -5.275 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.406 -4.066 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.398 -5.528 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.617 -3.464 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.104 -3.296 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.417 -4.321 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.661 -5.672 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.247 -5.261 9.782 1.00 0.00 H new ATOM 1663 N GLY A 103 9.162 -9.521 7.797 1.00 0.00 N ATOM 1664 CA GLY A 103 9.325 -10.966 7.865 1.00 0.00 C ATOM 1665 C GLY A 103 8.968 -11.635 6.560 1.00 0.00 C ATOM 1666 O GLY A 103 8.865 -12.862 6.483 1.00 0.00 O ATOM 0 H GLY A 103 9.963 -9.021 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.357 -11.203 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.697 -11.365 8.661 1.00 0.00 H new ATOM 1670 N ILE A 104 8.828 -10.831 5.532 1.00 0.00 N ATOM 1671 CA ILE A 104 8.434 -11.296 4.223 1.00 0.00 C ATOM 1672 C ILE A 104 9.599 -12.002 3.556 1.00 0.00 C ATOM 1673 O ILE A 104 10.700 -11.444 3.470 1.00 0.00 O ATOM 1674 CB ILE A 104 7.968 -10.108 3.328 1.00 0.00 C ATOM 1675 CG1 ILE A 104 6.779 -9.370 3.962 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.619 -10.572 1.920 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.550 -10.230 4.161 1.00 0.00 C ATOM 0 H ILE A 104 8.986 -9.825 5.582 1.00 0.00 H new ATOM 0 HA ILE A 104 7.602 -11.990 4.343 1.00 0.00 H new ATOM 0 HB ILE A 104 8.804 -9.412 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.088 -8.968 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.516 -8.520 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.298 -9.717 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.496 -11.027 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.813 -11.304 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.758 -9.633 4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.212 -10.611 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.793 -11.066 4.816 1.00 0.00 H new ATOM 1689 N VAL A 105 9.381 -13.225 3.137 1.00 0.00 N ATOM 1690 CA VAL A 105 10.399 -13.978 2.451 1.00 0.00 C ATOM 1691 C VAL A 105 10.540 -13.493 1.002 1.00 0.00 C ATOM 1692 O VAL A 105 9.580 -13.520 0.207 1.00 0.00 O ATOM 1693 CB VAL A 105 10.160 -15.532 2.518 1.00 0.00 C ATOM 1694 CG1 VAL A 105 8.832 -15.953 1.895 1.00 0.00 C ATOM 1695 CG2 VAL A 105 11.314 -16.286 1.875 1.00 0.00 C ATOM 0 H VAL A 105 8.499 -13.722 3.261 1.00 0.00 H new ATOM 0 HA VAL A 105 11.339 -13.796 2.972 1.00 0.00 H new ATOM 0 HB VAL A 105 10.111 -15.793 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.722 -17.035 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.012 -15.467 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 105 8.813 -15.658 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 105 11.126 -17.358 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 105 11.405 -15.990 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 105 12.240 -16.051 2.400 1.00 0.00 H new ATOM 1705 N ILE A 106 11.707 -12.999 0.682 1.00 0.00 N ATOM 1706 CA ILE A 106 12.020 -12.536 -0.657 1.00 0.00 C ATOM 1707 C ILE A 106 13.401 -13.031 -1.024 1.00 0.00 C ATOM 1708 O ILE A 106 14.218 -13.288 -0.126 1.00 0.00 O ATOM 1709 CB ILE A 106 11.985 -10.960 -0.836 1.00 0.00 C ATOM 1710 CG1 ILE A 106 13.096 -10.210 -0.033 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.607 -10.386 -0.530 1.00 0.00 C ATOM 1712 CD1 ILE A 106 12.965 -10.252 1.469 1.00 0.00 C ATOM 0 H ILE A 106 12.477 -12.903 1.344 1.00 0.00 H new ATOM 0 HA ILE A 106 11.243 -12.935 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 106 12.203 -10.786 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.063 -10.633 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.104 -9.167 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.625 -9.304 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.872 -10.823 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.336 -10.619 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.789 -9.700 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.019 -9.799 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.993 -11.288 1.808 1.00 0.00 H new ATOM 1724 N PRO A 107 13.681 -13.234 -2.307 1.00 0.00 N ATOM 1725 CA PRO A 107 15.009 -13.611 -2.746 1.00 0.00 C ATOM 1726 C PRO A 107 15.982 -12.452 -2.553 1.00 0.00 C ATOM 1727 O PRO A 107 15.925 -11.433 -3.268 1.00 0.00 O ATOM 1728 CB PRO A 107 14.837 -13.922 -4.228 1.00 0.00 C ATOM 1729 CG PRO A 107 13.604 -13.204 -4.644 1.00 0.00 C ATOM 1730 CD PRO A 107 12.726 -13.140 -3.433 1.00 0.00 C ATOM 0 HA PRO A 107 15.414 -14.454 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.700 -13.585 -4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.742 -14.995 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.840 -12.203 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.105 -13.728 -5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.156 -12.211 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.005 -13.957 -3.417 1.00 0.00 H new ATOM 1738 N GLU A 108 16.833 -12.585 -1.588 1.00 0.00 N ATOM 1739 CA GLU A 108 17.772 -11.561 -1.268 1.00 0.00 C ATOM 1740 C GLU A 108 19.141 -11.905 -1.852 1.00 0.00 C ATOM 1741 O GLU A 108 20.010 -12.443 -1.129 1.00 0.00 O ATOM 1742 CB GLU A 108 17.793 -11.319 0.262 1.00 0.00 C ATOM 1743 CG GLU A 108 17.959 -12.583 1.114 1.00 0.00 C ATOM 1744 CD GLU A 108 17.937 -12.297 2.594 1.00 0.00 C ATOM 1745 OE1 GLU A 108 18.832 -11.581 3.088 1.00 0.00 O ATOM 1746 OE2 GLU A 108 17.006 -12.770 3.294 1.00 0.00 O ATOM 1747 OXT GLU A 108 19.337 -11.696 -3.062 1.00 0.00 O ATOM 0 H GLU A 108 16.896 -13.413 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 108 17.471 -10.618 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.606 -10.632 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.865 -10.824 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.162 -13.286 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.900 -13.068 0.856 1.00 0.00 H new