USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 76 ASN : amide:sc= -0.0287 X(o=-2.6,f=-2.6) USER MOD Set 1.2: A 80 MET CE :methyl -113:sc= -2.54! (180deg=-3.38!) USER MOD Set 2.1: A 26 MET CE :methyl 137:sc= -0.229 (180deg=-0.943) USER MOD Set 2.2: A 72 LYS NZ :NH3+ 170:sc=-2.15e-06 (180deg=0) USER MOD Set 3.1: A 27 HIS : no HD1:sc= 0.0583 X(o=-0.5,f=-0.61) USER MOD Set 3.2: A 57 TYR OH : rot -80:sc= -0.555 USER MOD Set 4.1: A 48 THR OG1 : rot -170:sc= 1.84 USER MOD Set 4.2: A 50 THR OG1 : rot 12:sc= 0.245 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0147 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.429 USER MOD Single : A 8 MET CE :methyl 167:sc=-0.000718 (180deg=-0.138) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 14 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0.77 (180deg=0.618) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 28 CYS SG : rot 21:sc= -1.1 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.75 K(o=-1.8,f=-4.6!) USER MOD Single : A 42 GLN : amide:sc= -0.0647 K(o=-0.065,f=-1.5!) USER MOD Single : A 46 MET CE :methyl -142:sc=-0.00834 (180deg=-1.65) USER MOD Single : A 66 ASN : amide:sc= -5.14! C(o=-5.1!,f=-10!) USER MOD Single : A 69 CYS SG : rot -130:sc= 0.00291 USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.203 (180deg=-0.506) USER MOD Single : A 79 THR OG1 : rot 55:sc= 0.421 USER MOD Single : A 84 SER OG : rot 24:sc= 0.726 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.887 16.146 -21.414 1.00 0.00 N ATOM 2 CA GLY A 1 -18.074 15.596 -20.083 1.00 0.00 C ATOM 3 C GLY A 1 -17.949 14.086 -20.057 1.00 0.00 C ATOM 4 O GLY A 1 -17.147 13.510 -20.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.375 17.049 -21.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.338 15.478 -21.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.814 16.306 -21.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.337 16.030 -19.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.057 15.883 -19.710 1.00 0.00 H new ATOM 8 N SER A 2 -18.742 13.443 -19.206 1.00 0.00 N ATOM 9 CA SER A 2 -18.712 11.990 -19.083 1.00 0.00 C ATOM 10 C SER A 2 -17.288 11.493 -18.856 1.00 0.00 C ATOM 11 O SER A 2 -16.870 10.488 -19.431 1.00 0.00 O ATOM 12 CB SER A 2 -19.298 11.338 -20.336 1.00 0.00 C ATOM 13 OG SER A 2 -20.694 11.568 -20.426 1.00 0.00 O ATOM 0 H SER A 2 -19.413 13.905 -18.592 1.00 0.00 H new ATOM 0 HA SER A 2 -19.317 11.711 -18.221 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.803 11.736 -21.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.104 10.266 -20.317 1.00 0.00 H new ATOM 0 HG SER A 2 -21.044 11.142 -21.236 1.00 0.00 H new ATOM 19 N SER A 3 -16.546 12.205 -18.013 1.00 0.00 N ATOM 20 CA SER A 3 -15.167 11.840 -17.713 1.00 0.00 C ATOM 21 C SER A 3 -15.068 11.171 -16.345 1.00 0.00 C ATOM 22 O SER A 3 -15.311 11.799 -15.315 1.00 0.00 O ATOM 23 CB SER A 3 -14.269 13.078 -17.754 1.00 0.00 C ATOM 24 OG SER A 3 -14.315 13.699 -19.027 1.00 0.00 O ATOM 0 H SER A 3 -16.877 13.038 -17.526 1.00 0.00 H new ATOM 0 HA SER A 3 -14.831 11.131 -18.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.586 13.786 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.243 12.795 -17.521 1.00 0.00 H new ATOM 0 HG SER A 3 -13.734 14.488 -19.027 1.00 0.00 H new ATOM 30 N GLY A 4 -14.708 9.891 -16.343 1.00 0.00 N ATOM 31 CA GLY A 4 -14.583 9.157 -15.097 1.00 0.00 C ATOM 32 C GLY A 4 -14.158 7.719 -15.312 1.00 0.00 C ATOM 33 O GLY A 4 -14.978 6.865 -15.649 1.00 0.00 O ATOM 0 H GLY A 4 -14.501 9.349 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.856 9.656 -14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.537 9.176 -14.570 1.00 0.00 H new ATOM 37 N SER A 5 -12.871 7.449 -15.118 1.00 0.00 N ATOM 38 CA SER A 5 -12.336 6.104 -15.298 1.00 0.00 C ATOM 39 C SER A 5 -11.634 5.625 -14.032 1.00 0.00 C ATOM 40 O SER A 5 -10.438 5.854 -13.847 1.00 0.00 O ATOM 41 CB SER A 5 -11.362 6.074 -16.478 1.00 0.00 C ATOM 42 OG SER A 5 -10.938 4.750 -16.755 1.00 0.00 O ATOM 0 H SER A 5 -12.179 8.144 -14.836 1.00 0.00 H new ATOM 0 HA SER A 5 -13.169 5.433 -15.506 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.841 6.498 -17.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.496 6.698 -16.255 1.00 0.00 H new ATOM 0 HG SER A 5 -10.318 4.757 -17.514 1.00 0.00 H new ATOM 48 N SER A 6 -12.386 4.957 -13.162 1.00 0.00 N ATOM 49 CA SER A 6 -11.838 4.448 -11.911 1.00 0.00 C ATOM 50 C SER A 6 -11.207 3.073 -12.113 1.00 0.00 C ATOM 51 O SER A 6 -11.906 2.069 -12.233 1.00 0.00 O ATOM 52 CB SER A 6 -12.933 4.367 -10.845 1.00 0.00 C ATOM 53 OG SER A 6 -14.052 3.638 -11.319 1.00 0.00 O ATOM 0 H SER A 6 -13.376 4.756 -13.301 1.00 0.00 H new ATOM 0 HA SER A 6 -11.064 5.138 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.538 3.890 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.244 5.372 -10.561 1.00 0.00 H new ATOM 0 HG SER A 6 -13.744 2.843 -11.802 1.00 0.00 H new ATOM 59 N GLY A 7 -9.878 3.038 -12.150 1.00 0.00 N ATOM 60 CA GLY A 7 -9.174 1.783 -12.339 1.00 0.00 C ATOM 61 C GLY A 7 -8.455 1.328 -11.084 1.00 0.00 C ATOM 62 O GLY A 7 -8.614 0.188 -10.649 1.00 0.00 O ATOM 0 H GLY A 7 -9.277 3.856 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.883 1.015 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.452 1.893 -13.148 1.00 0.00 H new ATOM 66 N MET A 8 -7.660 2.221 -10.503 1.00 0.00 N ATOM 67 CA MET A 8 -6.914 1.904 -9.291 1.00 0.00 C ATOM 68 C MET A 8 -7.855 1.482 -8.167 1.00 0.00 C ATOM 69 O MET A 8 -7.957 0.298 -7.842 1.00 0.00 O ATOM 70 CB MET A 8 -6.081 3.109 -8.849 1.00 0.00 C ATOM 71 CG MET A 8 -4.664 3.104 -9.400 1.00 0.00 C ATOM 72 SD MET A 8 -4.008 4.765 -9.645 1.00 0.00 S ATOM 73 CE MET A 8 -3.063 4.981 -8.139 1.00 0.00 C ATOM 0 H MET A 8 -7.516 3.169 -10.852 1.00 0.00 H new ATOM 0 HA MET A 8 -6.246 1.072 -9.513 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.582 4.023 -9.167 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.038 3.131 -7.760 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.014 2.558 -8.716 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.649 2.568 -10.349 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.415 5.852 -8.238 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.744 5.128 -7.300 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.454 4.095 -7.961 1.00 0.00 H new ATOM 83 N ILE A 9 -8.539 2.456 -7.578 1.00 0.00 N ATOM 84 CA ILE A 9 -9.472 2.184 -6.491 1.00 0.00 C ATOM 85 C ILE A 9 -10.433 1.059 -6.860 1.00 0.00 C ATOM 86 O ILE A 9 -10.712 0.176 -6.049 1.00 0.00 O ATOM 87 CB ILE A 9 -10.286 3.438 -6.121 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.350 4.605 -5.800 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.202 3.146 -4.942 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.981 5.434 -7.010 1.00 0.00 C ATOM 0 H ILE A 9 -8.465 3.440 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.875 1.881 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.903 3.717 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.826 5.249 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.439 4.215 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.771 4.042 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.889 2.342 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.604 2.845 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.316 6.243 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.477 4.804 -7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.884 5.853 -7.453 1.00 0.00 H new ATOM 102 N ALA A 10 -10.935 1.096 -8.090 1.00 0.00 N ATOM 103 CA ALA A 10 -11.861 0.077 -8.568 1.00 0.00 C ATOM 104 C ALA A 10 -11.258 -1.317 -8.439 1.00 0.00 C ATOM 105 O ALA A 10 -11.773 -2.161 -7.707 1.00 0.00 O ATOM 106 CB ALA A 10 -12.250 0.354 -10.013 1.00 0.00 C ATOM 0 H ALA A 10 -10.716 1.821 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.757 0.116 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.942 -0.415 -10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.730 1.330 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.357 0.345 -10.638 1.00 0.00 H new ATOM 112 N ALA A 11 -10.164 -1.553 -9.156 1.00 0.00 N ATOM 113 CA ALA A 11 -9.490 -2.845 -9.120 1.00 0.00 C ATOM 114 C ALA A 11 -9.123 -3.233 -7.691 1.00 0.00 C ATOM 115 O ALA A 11 -9.509 -4.298 -7.208 1.00 0.00 O ATOM 116 CB ALA A 11 -8.247 -2.816 -9.997 1.00 0.00 C ATOM 0 H ALA A 11 -9.726 -0.866 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.177 -3.597 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.753 -3.787 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.532 -2.592 -11.025 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.564 -2.048 -9.634 1.00 0.00 H new ATOM 122 N TYR A 12 -8.375 -2.364 -7.021 1.00 0.00 N ATOM 123 CA TYR A 12 -7.954 -2.617 -5.648 1.00 0.00 C ATOM 124 C TYR A 12 -9.148 -2.969 -4.767 1.00 0.00 C ATOM 125 O TYR A 12 -9.242 -4.080 -4.245 1.00 0.00 O ATOM 126 CB TYR A 12 -7.230 -1.395 -5.081 1.00 0.00 C ATOM 127 CG TYR A 12 -5.831 -1.213 -5.626 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.856 -2.182 -5.429 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.486 -0.070 -6.337 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.577 -2.019 -5.925 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.210 0.101 -6.838 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.258 -0.876 -6.628 1.00 0.00 C ATOM 133 OH TYR A 12 -1.986 -0.710 -7.125 1.00 0.00 O ATOM 0 H TYR A 12 -8.048 -1.478 -7.406 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.270 -3.465 -5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.815 -0.502 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.179 -1.484 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.102 -3.078 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.228 0.698 -6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.831 -2.783 -5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.959 0.994 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.928 0.148 -7.596 1.00 0.00 H new ATOM 143 N GLU A 13 -10.060 -2.014 -4.608 1.00 0.00 N ATOM 144 CA GLU A 13 -11.249 -2.223 -3.790 1.00 0.00 C ATOM 145 C GLU A 13 -11.863 -3.593 -4.063 1.00 0.00 C ATOM 146 O GLU A 13 -11.987 -4.420 -3.161 1.00 0.00 O ATOM 147 CB GLU A 13 -12.280 -1.126 -4.062 1.00 0.00 C ATOM 148 CG GLU A 13 -13.347 -1.013 -2.985 1.00 0.00 C ATOM 149 CD GLU A 13 -12.870 -0.240 -1.771 1.00 0.00 C ATOM 150 OE1 GLU A 13 -12.401 0.904 -1.942 1.00 0.00 O ATOM 151 OE2 GLU A 13 -12.967 -0.780 -0.649 1.00 0.00 O ATOM 0 H GLU A 13 -9.998 -1.089 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.951 -2.180 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.765 -0.170 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.762 -1.321 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.227 -0.523 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.655 -2.012 -2.677 1.00 0.00 H new ATOM 158 N ASN A 14 -12.246 -3.824 -5.315 1.00 0.00 N ATOM 159 CA ASN A 14 -12.849 -5.093 -5.707 1.00 0.00 C ATOM 160 C ASN A 14 -11.967 -6.266 -5.290 1.00 0.00 C ATOM 161 O ASN A 14 -12.457 -7.273 -4.779 1.00 0.00 O ATOM 162 CB ASN A 14 -13.079 -5.126 -7.219 1.00 0.00 C ATOM 163 CG ASN A 14 -14.377 -4.452 -7.621 1.00 0.00 C ATOM 164 OD1 ASN A 14 -15.006 -3.763 -6.818 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.784 -4.649 -8.870 1.00 0.00 N ATOM 0 H ASN A 14 -12.150 -3.150 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.808 -5.184 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.246 -4.634 -7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.090 -6.161 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.650 -4.221 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.230 -5.228 -9.501 1.00 0.00 H new ATOM 172 N SER A 15 -10.664 -6.128 -5.512 1.00 0.00 N ATOM 173 CA SER A 15 -9.713 -7.177 -5.163 1.00 0.00 C ATOM 174 C SER A 15 -9.617 -7.341 -3.649 1.00 0.00 C ATOM 175 O SER A 15 -10.133 -6.520 -2.889 1.00 0.00 O ATOM 176 CB SER A 15 -8.334 -6.858 -5.741 1.00 0.00 C ATOM 177 OG SER A 15 -8.190 -7.397 -7.044 1.00 0.00 O ATOM 0 H SER A 15 -10.242 -5.300 -5.932 1.00 0.00 H new ATOM 0 HA SER A 15 -10.070 -8.114 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.191 -5.778 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.560 -7.263 -5.089 1.00 0.00 H new ATOM 0 HG SER A 15 -7.301 -7.178 -7.392 1.00 0.00 H new ATOM 183 N LYS A 16 -8.953 -8.408 -3.216 1.00 0.00 N ATOM 184 CA LYS A 16 -8.787 -8.681 -1.794 1.00 0.00 C ATOM 185 C LYS A 16 -7.317 -8.898 -1.450 1.00 0.00 C ATOM 186 O LYS A 16 -6.541 -9.381 -2.276 1.00 0.00 O ATOM 187 CB LYS A 16 -9.603 -9.912 -1.391 1.00 0.00 C ATOM 188 CG LYS A 16 -11.103 -9.715 -1.519 1.00 0.00 C ATOM 189 CD LYS A 16 -11.556 -9.801 -2.966 1.00 0.00 C ATOM 190 CE LYS A 16 -13.016 -10.216 -3.070 1.00 0.00 C ATOM 191 NZ LYS A 16 -13.932 -9.046 -2.989 1.00 0.00 N ATOM 0 H LYS A 16 -8.521 -9.098 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.148 -7.815 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.302 -10.756 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.366 -10.173 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.622 -10.471 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.380 -8.744 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.416 -8.834 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.934 -10.518 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.178 -10.740 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.252 -10.918 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.880 -9.324 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.986 -8.715 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.571 -8.280 -3.593 1.00 0.00 H new ATOM 205 N TRP A 17 -6.941 -8.540 -0.228 1.00 0.00 N ATOM 206 CA TRP A 17 -5.563 -8.697 0.225 1.00 0.00 C ATOM 207 C TRP A 17 -4.993 -10.038 -0.222 1.00 0.00 C ATOM 208 O TRP A 17 -5.729 -11.010 -0.389 1.00 0.00 O ATOM 209 CB TRP A 17 -5.489 -8.579 1.748 1.00 0.00 C ATOM 210 CG TRP A 17 -4.105 -8.766 2.291 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.204 -7.785 2.594 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.464 -10.010 2.595 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.041 -8.345 3.067 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.175 -9.708 3.078 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.853 -11.349 2.507 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.277 -10.697 3.469 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.960 -12.329 2.896 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.684 -11.999 3.373 1.00 0.00 C ATOM 0 H TRP A 17 -7.570 -8.139 0.467 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.966 -7.903 -0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.860 -7.599 2.048 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.151 -9.321 2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.379 -6.726 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.212 -7.829 3.362 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.834 -11.613 2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.293 -10.445 3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.250 -13.367 2.831 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.009 -12.788 3.670 1.00 0.00 H new ATOM 229 N GLU A 18 -3.678 -10.084 -0.414 1.00 0.00 N ATOM 230 CA GLU A 18 -3.011 -11.307 -0.842 1.00 0.00 C ATOM 231 C GLU A 18 -1.683 -11.487 -0.113 1.00 0.00 C ATOM 232 O GLU A 18 -0.967 -10.527 0.171 1.00 0.00 O ATOM 233 CB GLU A 18 -2.776 -11.284 -2.354 1.00 0.00 C ATOM 234 CG GLU A 18 -1.769 -10.236 -2.797 1.00 0.00 C ATOM 235 CD GLU A 18 -1.990 -9.784 -4.228 1.00 0.00 C ATOM 236 OE1 GLU A 18 -2.194 -10.653 -5.101 1.00 0.00 O ATOM 237 OE2 GLU A 18 -1.957 -8.560 -4.473 1.00 0.00 O ATOM 0 H GLU A 18 -3.054 -9.288 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.658 -12.148 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.430 -12.267 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.725 -11.100 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.832 -9.374 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.762 -10.641 -2.699 1.00 0.00 H new ATOM 244 N PRO A 19 -1.346 -12.747 0.200 1.00 0.00 N ATOM 245 CA PRO A 19 -0.103 -13.083 0.900 1.00 0.00 C ATOM 246 C PRO A 19 1.130 -12.865 0.030 1.00 0.00 C ATOM 247 O PRO A 19 1.450 -13.688 -0.829 1.00 0.00 O ATOM 248 CB PRO A 19 -0.271 -14.569 1.227 1.00 0.00 C ATOM 249 CG PRO A 19 -1.218 -15.079 0.196 1.00 0.00 C ATOM 250 CD PRO A 19 -2.152 -13.941 -0.107 1.00 0.00 C ATOM 0 HA PRO A 19 0.054 -12.454 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.683 -15.094 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.667 -14.711 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.685 -15.396 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.766 -15.946 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.474 -13.952 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.053 -13.986 0.505 1.00 0.00 H new ATOM 258 N VAL A 20 1.820 -11.752 0.258 1.00 0.00 N ATOM 259 CA VAL A 20 3.020 -11.427 -0.505 1.00 0.00 C ATOM 260 C VAL A 20 4.107 -10.856 0.399 1.00 0.00 C ATOM 261 O VAL A 20 3.828 -10.076 1.309 1.00 0.00 O ATOM 262 CB VAL A 20 2.715 -10.415 -1.625 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.935 -9.230 -1.077 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.003 -9.954 -2.291 1.00 0.00 C ATOM 0 H VAL A 20 1.569 -11.060 0.964 1.00 0.00 H new ATOM 0 HA VAL A 20 3.374 -12.356 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 20 2.099 -10.907 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.729 -8.526 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.994 -9.579 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.522 -8.734 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.769 -9.239 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.646 -9.479 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.518 -10.813 -2.721 1.00 0.00 H new ATOM 274 N LYS A 21 5.350 -11.251 0.141 1.00 0.00 N ATOM 275 CA LYS A 21 6.482 -10.778 0.929 1.00 0.00 C ATOM 276 C LYS A 21 6.941 -9.404 0.452 1.00 0.00 C ATOM 277 O LYS A 21 7.329 -9.236 -0.704 1.00 0.00 O ATOM 278 CB LYS A 21 7.641 -11.773 0.842 1.00 0.00 C ATOM 279 CG LYS A 21 8.857 -11.363 1.655 1.00 0.00 C ATOM 280 CD LYS A 21 10.134 -11.958 1.086 1.00 0.00 C ATOM 281 CE LYS A 21 10.437 -13.317 1.697 1.00 0.00 C ATOM 282 NZ LYS A 21 11.788 -13.811 1.312 1.00 0.00 N ATOM 0 H LYS A 21 5.598 -11.898 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 21 6.160 -10.694 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.297 -12.749 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.934 -11.887 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.936 -10.276 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.732 -11.688 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.040 -12.057 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.967 -11.280 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.371 -13.249 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.683 -14.036 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.956 -14.740 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.843 -13.900 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.510 -13.139 1.641 1.00 0.00 H new ATOM 296 N TRP A 22 6.895 -8.426 1.349 1.00 0.00 N ATOM 297 CA TRP A 22 7.308 -7.066 1.019 1.00 0.00 C ATOM 298 C TRP A 22 8.814 -6.899 1.189 1.00 0.00 C ATOM 299 O TRP A 22 9.360 -7.168 2.258 1.00 0.00 O ATOM 300 CB TRP A 22 6.568 -6.059 1.900 1.00 0.00 C ATOM 301 CG TRP A 22 5.094 -6.005 1.632 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.092 -6.380 2.481 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.457 -5.552 0.432 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.871 -6.187 1.882 1.00 0.00 N ATOM 305 CE2 TRP A 22 3.068 -5.680 0.625 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.926 -5.050 -0.785 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.145 -5.324 -0.356 1.00 0.00 C ATOM 308 CZ3 TRP A 22 4.009 -4.698 -1.757 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.632 -4.835 -1.538 1.00 0.00 C ATOM 0 H TRP A 22 6.576 -8.549 2.310 1.00 0.00 H new ATOM 0 HA TRP A 22 7.056 -6.879 -0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.730 -6.315 2.947 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.995 -5.068 1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.238 -6.771 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.965 -6.389 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.986 -4.939 -0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.083 -5.430 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.360 -4.311 -2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.941 -4.549 -2.317 1.00 0.00 H new ATOM 320 N GLU A 23 9.479 -6.452 0.128 1.00 0.00 N ATOM 321 CA GLU A 23 10.922 -6.249 0.161 1.00 0.00 C ATOM 322 C GLU A 23 11.263 -4.762 0.187 1.00 0.00 C ATOM 323 O GLU A 23 10.432 -3.919 -0.149 1.00 0.00 O ATOM 324 CB GLU A 23 11.581 -6.913 -1.049 1.00 0.00 C ATOM 325 CG GLU A 23 11.413 -8.423 -1.081 1.00 0.00 C ATOM 326 CD GLU A 23 12.470 -9.146 -0.269 1.00 0.00 C ATOM 327 OE1 GLU A 23 12.427 -9.057 0.975 1.00 0.00 O ATOM 328 OE2 GLU A 23 13.341 -9.800 -0.880 1.00 0.00 O ATOM 0 H GLU A 23 9.041 -6.224 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 23 11.306 -6.708 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.159 -6.489 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.644 -6.674 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.426 -8.683 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.456 -8.768 -2.114 1.00 0.00 H new ATOM 335 N ASN A 24 12.490 -4.448 0.588 1.00 0.00 N ATOM 336 CA ASN A 24 12.941 -3.063 0.659 1.00 0.00 C ATOM 337 C ASN A 24 13.025 -2.447 -0.734 1.00 0.00 C ATOM 338 O ASN A 24 13.317 -3.135 -1.712 1.00 0.00 O ATOM 339 CB ASN A 24 14.305 -2.983 1.347 1.00 0.00 C ATOM 340 CG ASN A 24 14.544 -1.636 2.002 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.563 -0.603 1.333 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.728 -1.643 3.317 1.00 0.00 N ATOM 0 H ASN A 24 13.190 -5.134 0.869 1.00 0.00 H new ATOM 0 HA ASN A 24 12.214 -2.500 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.376 -3.768 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.090 -3.172 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.894 -0.767 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.704 -2.524 3.831 1.00 0.00 H new ATOM 349 N ASP A 25 12.768 -1.146 -0.816 1.00 0.00 N ATOM 350 CA ASP A 25 12.816 -0.435 -2.089 1.00 0.00 C ATOM 351 C ASP A 25 11.803 -1.012 -3.072 1.00 0.00 C ATOM 352 O ASP A 25 12.148 -1.361 -4.200 1.00 0.00 O ATOM 353 CB ASP A 25 14.223 -0.509 -2.685 1.00 0.00 C ATOM 354 CG ASP A 25 14.326 0.212 -4.015 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.203 1.455 -4.027 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.532 -0.466 -5.042 1.00 0.00 O ATOM 0 H ASP A 25 12.524 -0.562 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 25 12.562 0.609 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.935 -0.075 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.504 -1.554 -2.818 1.00 0.00 H new ATOM 361 N MET A 26 10.552 -1.111 -2.635 1.00 0.00 N ATOM 362 CA MET A 26 9.488 -1.646 -3.477 1.00 0.00 C ATOM 363 C MET A 26 8.317 -0.671 -3.559 1.00 0.00 C ATOM 364 O MET A 26 8.183 0.225 -2.724 1.00 0.00 O ATOM 365 CB MET A 26 9.008 -2.993 -2.934 1.00 0.00 C ATOM 366 CG MET A 26 9.766 -4.182 -3.502 1.00 0.00 C ATOM 367 SD MET A 26 8.958 -5.754 -3.149 1.00 0.00 S ATOM 368 CE MET A 26 7.435 -5.567 -4.073 1.00 0.00 C ATOM 0 H MET A 26 10.250 -0.828 -1.703 1.00 0.00 H new ATOM 0 HA MET A 26 9.890 -1.789 -4.480 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.107 -2.994 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.947 -3.108 -3.157 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.865 -4.063 -4.581 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.775 -4.196 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.212 -6.495 -4.599 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.620 -5.333 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.545 -4.758 -4.795 1.00 0.00 H new ATOM 378 N HIS A 27 7.473 -0.851 -4.569 1.00 0.00 N ATOM 379 CA HIS A 27 6.313 0.013 -4.759 1.00 0.00 C ATOM 380 C HIS A 27 5.019 -0.746 -4.480 1.00 0.00 C ATOM 381 O HIS A 27 4.904 -1.932 -4.792 1.00 0.00 O ATOM 382 CB HIS A 27 6.294 0.571 -6.183 1.00 0.00 C ATOM 383 CG HIS A 27 7.068 1.843 -6.338 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.717 2.834 -7.230 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.180 2.286 -5.706 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.580 3.830 -7.142 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.478 3.522 -6.223 1.00 0.00 N ATOM 0 H HIS A 27 7.570 -1.587 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 27 6.388 0.841 -4.054 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.701 -0.177 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.261 0.745 -6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.731 1.764 -4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.556 4.741 -7.722 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.265 4.108 -5.943 1.00 0.00 H new ATOM 395 N CYS A 28 4.049 -0.055 -3.892 1.00 0.00 N ATOM 396 CA CYS A 28 2.764 -0.664 -3.569 1.00 0.00 C ATOM 397 C CYS A 28 1.710 0.404 -3.295 1.00 0.00 C ATOM 398 O CYS A 28 2.009 1.597 -3.284 1.00 0.00 O ATOM 399 CB CYS A 28 2.902 -1.585 -2.356 1.00 0.00 C ATOM 400 SG CYS A 28 3.455 -0.746 -0.852 1.00 0.00 S ATOM 0 H CYS A 28 4.128 0.927 -3.629 1.00 0.00 H new ATOM 0 HA CYS A 28 2.443 -1.253 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.940 -2.059 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.607 -2.381 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 28 3.221 0.529 -0.955 1.00 0.00 H new ATOM 406 N ALA A 29 0.474 -0.035 -3.076 1.00 0.00 N ATOM 407 CA ALA A 29 -0.625 0.883 -2.802 1.00 0.00 C ATOM 408 C ALA A 29 -1.278 0.572 -1.460 1.00 0.00 C ATOM 409 O ALA A 29 -1.689 -0.560 -1.206 1.00 0.00 O ATOM 410 CB ALA A 29 -1.655 0.822 -3.920 1.00 0.00 C ATOM 0 H ALA A 29 0.209 -1.020 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.219 1.893 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.470 1.512 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.185 1.101 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.049 -0.191 -3.997 1.00 0.00 H new ATOM 416 N VAL A 30 -1.371 1.584 -0.603 1.00 0.00 N ATOM 417 CA VAL A 30 -1.975 1.419 0.713 1.00 0.00 C ATOM 418 C VAL A 30 -3.416 1.916 0.723 1.00 0.00 C ATOM 419 O VAL A 30 -3.760 2.874 0.029 1.00 0.00 O ATOM 420 CB VAL A 30 -1.177 2.169 1.796 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.718 3.524 1.277 1.00 0.00 C ATOM 422 CG2 VAL A 30 -2.011 2.327 3.058 1.00 0.00 C ATOM 0 H VAL A 30 -1.035 2.527 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.960 0.352 0.936 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.292 1.582 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.156 4.040 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.082 3.383 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.587 4.121 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.432 2.859 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.914 2.892 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.285 1.343 3.438 1.00 0.00 H new ATOM 432 N LYS A 31 -4.258 1.260 1.515 1.00 0.00 N ATOM 433 CA LYS A 31 -5.663 1.635 1.618 1.00 0.00 C ATOM 434 C LYS A 31 -5.929 2.396 2.913 1.00 0.00 C ATOM 435 O LYS A 31 -5.746 1.860 4.007 1.00 0.00 O ATOM 436 CB LYS A 31 -6.551 0.391 1.553 1.00 0.00 C ATOM 437 CG LYS A 31 -8.015 0.673 1.840 1.00 0.00 C ATOM 438 CD LYS A 31 -8.850 -0.596 1.780 1.00 0.00 C ATOM 439 CE LYS A 31 -10.082 -0.495 2.665 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.971 -1.680 2.516 1.00 0.00 N ATOM 0 H LYS A 31 -3.991 0.465 2.095 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.901 2.287 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.463 -0.056 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.184 -0.345 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.112 1.127 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.396 1.395 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.155 -0.784 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.244 -1.446 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.774 -0.401 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.637 0.409 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.799 -1.573 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.286 -1.756 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.450 -2.540 2.780 1.00 0.00 H new ATOM 454 N ILE A 32 -6.364 3.644 2.783 1.00 0.00 N ATOM 455 CA ILE A 32 -6.657 4.476 3.943 1.00 0.00 C ATOM 456 C ILE A 32 -7.996 4.096 4.567 1.00 0.00 C ATOM 457 O ILE A 32 -8.897 3.615 3.881 1.00 0.00 O ATOM 458 CB ILE A 32 -6.683 5.971 3.573 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.423 6.346 2.789 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.807 6.825 4.826 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.547 7.651 2.035 1.00 0.00 C ATOM 0 H ILE A 32 -6.522 4.102 1.885 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.859 4.303 4.665 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.551 6.159 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.582 6.413 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.193 5.548 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.824 7.879 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.730 6.573 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.956 6.636 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.618 7.853 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.367 7.582 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.746 8.460 2.738 1.00 0.00 H new ATOM 473 N GLN A 33 -8.118 4.317 5.872 1.00 0.00 N ATOM 474 CA GLN A 33 -9.348 3.998 6.588 1.00 0.00 C ATOM 475 C GLN A 33 -10.304 5.187 6.584 1.00 0.00 C ATOM 476 O GLN A 33 -11.335 5.164 5.912 1.00 0.00 O ATOM 477 CB GLN A 33 -9.033 3.587 8.027 1.00 0.00 C ATOM 478 CG GLN A 33 -8.451 2.187 8.147 1.00 0.00 C ATOM 479 CD GLN A 33 -8.132 1.808 9.579 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.008 1.993 10.047 1.00 0.00 O ATOM 481 NE2 GLN A 33 -9.122 1.274 10.285 1.00 0.00 N ATOM 0 H GLN A 33 -7.381 4.715 6.454 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.831 3.165 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.330 4.302 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.946 3.644 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.158 1.467 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.543 2.123 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.038 1.139 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.966 0.999 11.255 1.00 0.00 H new ATOM 490 N ASP A 34 -9.955 6.223 7.339 1.00 0.00 N ATOM 491 CA ASP A 34 -10.781 7.421 7.422 1.00 0.00 C ATOM 492 C ASP A 34 -11.159 7.919 6.030 1.00 0.00 C ATOM 493 O ASP A 34 -12.207 8.537 5.843 1.00 0.00 O ATOM 494 CB ASP A 34 -10.046 8.522 8.188 1.00 0.00 C ATOM 495 CG ASP A 34 -10.820 9.825 8.215 1.00 0.00 C ATOM 496 OD1 ASP A 34 -10.807 10.545 7.195 1.00 0.00 O ATOM 497 OD2 ASP A 34 -11.441 10.125 9.257 1.00 0.00 O ATOM 0 H ASP A 34 -9.105 6.257 7.902 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.695 7.165 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.864 8.190 9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.072 8.691 7.729 1.00 0.00 H new ATOM 502 N LYS A 35 -10.297 7.646 5.056 1.00 0.00 N ATOM 503 CA LYS A 35 -10.539 8.064 3.681 1.00 0.00 C ATOM 504 C LYS A 35 -10.804 6.860 2.783 1.00 0.00 C ATOM 505 O LYS A 35 -10.620 5.715 3.195 1.00 0.00 O ATOM 506 CB LYS A 35 -9.341 8.856 3.149 1.00 0.00 C ATOM 507 CG LYS A 35 -8.951 10.032 4.027 1.00 0.00 C ATOM 508 CD LYS A 35 -10.057 11.071 4.092 1.00 0.00 C ATOM 509 CE LYS A 35 -9.504 12.455 4.397 1.00 0.00 C ATOM 510 NZ LYS A 35 -10.587 13.428 4.709 1.00 0.00 N ATOM 0 H LYS A 35 -9.424 7.137 5.194 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.423 8.702 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.487 8.186 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.573 9.221 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.725 9.677 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.042 10.491 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.593 11.093 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.778 10.789 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.817 12.394 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.929 12.813 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.170 14.359 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.229 13.506 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.120 13.100 5.540 1.00 0.00 H new ATOM 524 N ASN A 36 -11.236 7.126 1.555 1.00 0.00 N ATOM 525 CA ASN A 36 -11.525 6.063 0.599 1.00 0.00 C ATOM 526 C ASN A 36 -10.672 6.213 -0.656 1.00 0.00 C ATOM 527 O ASN A 36 -11.109 5.882 -1.758 1.00 0.00 O ATOM 528 CB ASN A 36 -13.009 6.075 0.226 1.00 0.00 C ATOM 529 CG ASN A 36 -13.846 5.218 1.155 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.998 5.529 2.337 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.394 4.131 0.624 1.00 0.00 N ATOM 0 H ASN A 36 -11.394 8.068 1.198 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.283 5.110 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.379 7.100 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.126 5.718 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.967 3.515 1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.241 3.912 -0.360 1.00 0.00 H new ATOM 538 N GLN A 37 -9.453 6.714 -0.481 1.00 0.00 N ATOM 539 CA GLN A 37 -8.539 6.908 -1.600 1.00 0.00 C ATOM 540 C GLN A 37 -7.297 6.036 -1.446 1.00 0.00 C ATOM 541 O GLN A 37 -6.712 5.958 -0.365 1.00 0.00 O ATOM 542 CB GLN A 37 -8.134 8.379 -1.706 1.00 0.00 C ATOM 543 CG GLN A 37 -7.775 8.811 -3.119 1.00 0.00 C ATOM 544 CD GLN A 37 -6.475 8.202 -3.603 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.560 7.956 -2.816 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.385 7.955 -4.905 1.00 0.00 N ATOM 0 H GLN A 37 -9.076 6.993 0.425 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.056 6.614 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.953 9.000 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.281 8.561 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.580 8.527 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.698 9.898 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.168 8.175 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.533 7.546 -5.289 1.00 0.00 H new ATOM 555 N TRP A 38 -6.902 5.382 -2.532 1.00 0.00 N ATOM 556 CA TRP A 38 -5.729 4.515 -2.516 1.00 0.00 C ATOM 557 C TRP A 38 -4.463 5.305 -2.829 1.00 0.00 C ATOM 558 O TRP A 38 -4.304 5.828 -3.932 1.00 0.00 O ATOM 559 CB TRP A 38 -5.897 3.377 -3.525 1.00 0.00 C ATOM 560 CG TRP A 38 -6.822 2.297 -3.054 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.187 2.309 -3.099 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.450 1.047 -2.463 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.685 1.141 -2.573 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.640 0.350 -2.176 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.226 0.447 -2.151 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.640 -0.914 -1.592 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.228 -0.807 -1.571 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.428 -1.477 -1.297 1.00 0.00 C ATOM 0 H TRP A 38 -7.376 5.435 -3.434 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.633 4.094 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.274 3.785 -4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.920 2.942 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.787 3.117 -3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.673 0.902 -2.491 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.296 0.955 -2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.564 -1.432 -1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.288 -1.279 -1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.396 -2.457 -0.844 1.00 0.00 H new ATOM 579 N ARG A 39 -3.566 5.388 -1.852 1.00 0.00 N ATOM 580 CA ARG A 39 -2.315 6.116 -2.024 1.00 0.00 C ATOM 581 C ARG A 39 -1.151 5.153 -2.238 1.00 0.00 C ATOM 582 O ARG A 39 -1.173 4.019 -1.759 1.00 0.00 O ATOM 583 CB ARG A 39 -2.042 6.998 -0.804 1.00 0.00 C ATOM 584 CG ARG A 39 -2.816 8.307 -0.814 1.00 0.00 C ATOM 585 CD ARG A 39 -2.359 9.232 0.303 1.00 0.00 C ATOM 586 NE ARG A 39 -3.240 10.388 0.451 1.00 0.00 N ATOM 587 CZ ARG A 39 -3.051 11.345 1.352 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.018 11.285 2.181 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.897 12.365 1.425 1.00 0.00 N ATOM 0 H ARG A 39 -3.682 4.960 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.410 6.747 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.295 6.443 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.975 7.217 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.683 8.802 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.881 8.102 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.326 8.679 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.344 9.573 0.099 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.044 10.464 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.366 10.502 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.875 12.021 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.693 12.414 0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.751 13.100 2.117 1.00 0.00 H new ATOM 603 N ARG A 40 -0.135 5.612 -2.963 1.00 0.00 N ATOM 604 CA ARG A 40 1.036 4.791 -3.242 1.00 0.00 C ATOM 605 C ARG A 40 2.122 5.019 -2.195 1.00 0.00 C ATOM 606 O ARG A 40 2.352 6.146 -1.758 1.00 0.00 O ATOM 607 CB ARG A 40 1.584 5.105 -4.636 1.00 0.00 C ATOM 608 CG ARG A 40 0.618 4.768 -5.760 1.00 0.00 C ATOM 609 CD ARG A 40 1.282 4.896 -7.122 1.00 0.00 C ATOM 610 NE ARG A 40 0.655 4.033 -8.120 1.00 0.00 N ATOM 611 CZ ARG A 40 1.274 3.605 -9.214 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.530 3.957 -9.450 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.637 2.822 -10.075 1.00 0.00 N ATOM 0 H ARG A 40 -0.100 6.548 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 40 0.733 3.745 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.834 6.165 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.511 4.551 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.246 3.752 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.245 5.432 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.230 5.933 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.338 4.642 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.311 3.743 -7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.024 4.558 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.003 3.627 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.329 2.548 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.114 2.494 -10.915 1.00 0.00 H new ATOM 627 N GLY A 41 2.787 3.938 -1.794 1.00 0.00 N ATOM 628 CA GLY A 41 3.839 4.041 -0.801 1.00 0.00 C ATOM 629 C GLY A 41 5.080 3.261 -1.188 1.00 0.00 C ATOM 630 O GLY A 41 5.028 2.394 -2.060 1.00 0.00 O ATOM 0 H GLY A 41 2.615 2.994 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.102 5.090 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.468 3.675 0.156 1.00 0.00 H new ATOM 634 N GLN A 42 6.198 3.571 -0.540 1.00 0.00 N ATOM 635 CA GLN A 42 7.458 2.894 -0.824 1.00 0.00 C ATOM 636 C GLN A 42 7.940 2.109 0.391 1.00 0.00 C ATOM 637 O GLN A 42 8.209 2.683 1.447 1.00 0.00 O ATOM 638 CB GLN A 42 8.523 3.909 -1.245 1.00 0.00 C ATOM 639 CG GLN A 42 9.666 3.297 -2.039 1.00 0.00 C ATOM 640 CD GLN A 42 10.496 4.338 -2.763 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.033 5.450 -3.020 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.731 3.983 -3.096 1.00 0.00 N ATOM 0 H GLN A 42 6.257 4.286 0.185 1.00 0.00 H new ATOM 0 HA GLN A 42 7.289 2.194 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.053 4.689 -1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.927 4.390 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.308 2.730 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.262 2.591 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.074 3.051 -2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.337 4.642 -3.584 1.00 0.00 H new ATOM 651 N ILE A 43 8.045 0.793 0.236 1.00 0.00 N ATOM 652 CA ILE A 43 8.495 -0.070 1.320 1.00 0.00 C ATOM 653 C ILE A 43 9.751 0.487 1.982 1.00 0.00 C ATOM 654 O ILE A 43 10.868 0.233 1.529 1.00 0.00 O ATOM 655 CB ILE A 43 8.782 -1.498 0.820 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.534 -2.093 0.164 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.253 -2.377 1.970 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.346 -2.182 1.096 1.00 0.00 C ATOM 0 H ILE A 43 7.824 0.302 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 43 7.687 -0.105 2.051 1.00 0.00 H new ATOM 0 HB ILE A 43 9.575 -1.453 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.263 -1.486 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.769 -3.090 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.452 -3.383 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.165 -1.960 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.480 -2.418 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.498 -2.613 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.598 -2.813 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.084 -1.184 1.448 1.00 0.00 H new ATOM 670 N ILE A 44 9.560 1.245 3.056 1.00 0.00 N ATOM 671 CA ILE A 44 10.678 1.836 3.782 1.00 0.00 C ATOM 672 C ILE A 44 11.439 0.778 4.574 1.00 0.00 C ATOM 673 O ILE A 44 12.601 0.489 4.286 1.00 0.00 O ATOM 674 CB ILE A 44 10.204 2.940 4.745 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.663 4.135 3.958 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.342 3.371 5.658 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.277 5.309 4.831 1.00 0.00 C ATOM 0 H ILE A 44 8.642 1.465 3.443 1.00 0.00 H new ATOM 0 HA ILE A 44 11.341 2.276 3.037 1.00 0.00 H new ATOM 0 HB ILE A 44 9.399 2.542 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.417 4.459 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.792 3.818 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.991 4.152 6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.685 2.516 6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.166 3.755 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.902 6.119 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.500 5.002 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.150 5.653 5.385 1.00 0.00 H new ATOM 689 N ARG A 45 10.776 0.202 5.571 1.00 0.00 N ATOM 690 CA ARG A 45 11.390 -0.825 6.404 1.00 0.00 C ATOM 691 C ARG A 45 10.325 -1.663 7.106 1.00 0.00 C ATOM 692 O ARG A 45 9.427 -1.127 7.755 1.00 0.00 O ATOM 693 CB ARG A 45 12.315 -0.184 7.441 1.00 0.00 C ATOM 694 CG ARG A 45 11.607 0.210 8.728 1.00 0.00 C ATOM 695 CD ARG A 45 12.406 1.242 9.508 1.00 0.00 C ATOM 696 NE ARG A 45 11.784 1.558 10.791 1.00 0.00 N ATOM 697 CZ ARG A 45 12.167 2.569 11.564 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.163 3.358 11.185 1.00 0.00 N ATOM 699 NH2 ARG A 45 11.552 2.793 12.718 1.00 0.00 N ATOM 0 H ARG A 45 9.814 0.429 5.822 1.00 0.00 H new ATOM 0 HA ARG A 45 11.976 -1.479 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.120 -0.880 7.677 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.777 0.701 7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.621 0.612 8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.452 -0.675 9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.416 0.867 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.499 2.152 8.916 1.00 0.00 H new ATOM 0 HE ARG A 45 11.014 0.971 11.111 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.638 3.190 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.455 4.133 11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.785 2.189 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.847 3.569 13.311 1.00 0.00 H new ATOM 713 N MET A 46 10.433 -2.981 6.970 1.00 0.00 N ATOM 714 CA MET A 46 9.480 -3.893 7.591 1.00 0.00 C ATOM 715 C MET A 46 9.625 -3.880 9.110 1.00 0.00 C ATOM 716 O MET A 46 10.691 -4.186 9.644 1.00 0.00 O ATOM 717 CB MET A 46 9.681 -5.314 7.061 1.00 0.00 C ATOM 718 CG MET A 46 8.964 -5.579 5.746 1.00 0.00 C ATOM 719 SD MET A 46 8.503 -7.310 5.543 1.00 0.00 S ATOM 720 CE MET A 46 7.088 -7.413 6.637 1.00 0.00 C ATOM 0 H MET A 46 11.170 -3.441 6.436 1.00 0.00 H new ATOM 0 HA MET A 46 8.475 -3.556 7.336 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.747 -5.496 6.927 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.328 -6.025 7.808 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.068 -4.960 5.694 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.607 -5.279 4.919 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.094 -8.374 7.151 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.137 -6.609 7.371 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.171 -7.318 6.056 1.00 0.00 H new ATOM 730 N VAL A 47 8.546 -3.523 9.800 1.00 0.00 N ATOM 731 CA VAL A 47 8.554 -3.471 11.257 1.00 0.00 C ATOM 732 C VAL A 47 8.269 -4.843 11.858 1.00 0.00 C ATOM 733 O VAL A 47 9.097 -5.403 12.577 1.00 0.00 O ATOM 734 CB VAL A 47 7.516 -2.464 11.788 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.620 -2.337 13.300 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.696 -1.111 11.118 1.00 0.00 C ATOM 0 H VAL A 47 7.656 -3.266 9.373 1.00 0.00 H new ATOM 0 HA VAL A 47 9.551 -3.147 11.557 1.00 0.00 H new ATOM 0 HB VAL A 47 6.520 -2.834 11.546 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.879 -1.621 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.438 -3.308 13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.618 -1.990 13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.955 -0.412 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.696 -0.732 11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.566 -1.218 10.041 1.00 0.00 H new ATOM 746 N THR A 48 7.091 -5.381 11.557 1.00 0.00 N ATOM 747 CA THR A 48 6.695 -6.687 12.068 1.00 0.00 C ATOM 748 C THR A 48 6.100 -7.552 10.963 1.00 0.00 C ATOM 749 O THR A 48 6.040 -7.141 9.804 1.00 0.00 O ATOM 750 CB THR A 48 5.670 -6.557 13.210 1.00 0.00 C ATOM 751 OG1 THR A 48 4.361 -6.338 12.672 1.00 0.00 O ATOM 752 CG2 THR A 48 6.039 -5.412 14.141 1.00 0.00 C ATOM 0 H THR A 48 6.395 -4.932 10.962 1.00 0.00 H new ATOM 0 HA THR A 48 7.597 -7.162 12.452 1.00 0.00 H new ATOM 0 HB THR A 48 5.677 -7.485 13.781 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.745 -6.100 13.396 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.301 -5.340 14.939 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.023 -5.596 14.572 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.058 -4.478 13.579 1.00 0.00 H new ATOM 760 N ASP A 49 5.661 -8.751 11.328 1.00 0.00 N ATOM 761 CA ASP A 49 5.068 -9.674 10.367 1.00 0.00 C ATOM 762 C ASP A 49 3.706 -9.171 9.900 1.00 0.00 C ATOM 763 O ASP A 49 3.064 -9.785 9.046 1.00 0.00 O ATOM 764 CB ASP A 49 4.927 -11.066 10.985 1.00 0.00 C ATOM 765 CG ASP A 49 6.193 -11.520 11.685 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.165 -11.874 10.984 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.213 -11.520 12.933 1.00 0.00 O ATOM 0 H ASP A 49 5.704 -9.107 12.283 1.00 0.00 H new ATOM 0 HA ASP A 49 5.729 -9.734 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.103 -11.062 11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.670 -11.782 10.205 1.00 0.00 H new ATOM 772 N THR A 50 3.268 -8.051 10.465 1.00 0.00 N ATOM 773 CA THR A 50 1.982 -7.466 10.109 1.00 0.00 C ATOM 774 C THR A 50 2.122 -5.983 9.784 1.00 0.00 C ATOM 775 O THR A 50 1.380 -5.444 8.962 1.00 0.00 O ATOM 776 CB THR A 50 0.953 -7.637 11.243 1.00 0.00 C ATOM 777 OG1 THR A 50 1.550 -7.297 12.500 1.00 0.00 O ATOM 778 CG2 THR A 50 0.434 -9.066 11.292 1.00 0.00 C ATOM 0 H THR A 50 3.786 -7.530 11.172 1.00 0.00 H new ATOM 0 HA THR A 50 1.629 -7.996 9.225 1.00 0.00 H new ATOM 0 HB THR A 50 0.114 -6.970 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.412 -6.858 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.291 -9.162 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.045 -9.312 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.265 -9.749 11.467 1.00 0.00 H new ATOM 786 N LEU A 51 3.079 -5.329 10.433 1.00 0.00 N ATOM 787 CA LEU A 51 3.317 -3.907 10.213 1.00 0.00 C ATOM 788 C LEU A 51 4.447 -3.693 9.211 1.00 0.00 C ATOM 789 O LEU A 51 5.348 -4.524 9.088 1.00 0.00 O ATOM 790 CB LEU A 51 3.655 -3.215 11.535 1.00 0.00 C ATOM 791 CG LEU A 51 2.606 -3.331 12.640 1.00 0.00 C ATOM 792 CD1 LEU A 51 3.100 -2.671 13.918 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.289 -2.713 12.193 1.00 0.00 C ATOM 0 H LEU A 51 3.702 -5.760 11.115 1.00 0.00 H new ATOM 0 HA LEU A 51 2.406 -3.471 9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.593 -3.626 11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.827 -2.158 11.335 1.00 0.00 H new ATOM 0 HG LEU A 51 2.437 -4.388 12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.339 -2.764 14.693 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.017 -3.159 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.299 -1.616 13.729 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.554 -2.805 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.442 -1.659 11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.926 -3.232 11.306 1.00 0.00 H new ATOM 805 N VAL A 52 4.395 -2.573 8.497 1.00 0.00 N ATOM 806 CA VAL A 52 5.415 -2.248 7.508 1.00 0.00 C ATOM 807 C VAL A 52 5.525 -0.741 7.306 1.00 0.00 C ATOM 808 O VAL A 52 4.521 -0.056 7.111 1.00 0.00 O ATOM 809 CB VAL A 52 5.116 -2.916 6.153 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.916 -2.252 5.042 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.413 -4.406 6.217 1.00 0.00 C ATOM 0 H VAL A 52 3.656 -1.875 8.585 1.00 0.00 H new ATOM 0 HA VAL A 52 6.361 -2.630 7.892 1.00 0.00 H new ATOM 0 HB VAL A 52 4.056 -2.789 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.692 -2.737 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.649 -1.197 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.981 -2.346 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.196 -4.862 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.464 -4.557 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.792 -4.868 6.984 1.00 0.00 H new ATOM 821 N GLU A 53 6.751 -0.230 7.354 1.00 0.00 N ATOM 822 CA GLU A 53 6.992 1.197 7.176 1.00 0.00 C ATOM 823 C GLU A 53 7.078 1.554 5.695 1.00 0.00 C ATOM 824 O GLU A 53 7.888 0.994 4.956 1.00 0.00 O ATOM 825 CB GLU A 53 8.280 1.613 7.889 1.00 0.00 C ATOM 826 CG GLU A 53 8.272 3.053 8.371 1.00 0.00 C ATOM 827 CD GLU A 53 9.418 3.359 9.316 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.538 3.615 8.825 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.197 3.342 10.544 1.00 0.00 O ATOM 0 H GLU A 53 7.593 -0.783 7.515 1.00 0.00 H new ATOM 0 HA GLU A 53 6.153 1.738 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.442 0.954 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.122 1.470 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.327 3.720 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.327 3.259 8.874 1.00 0.00 H new ATOM 836 N VAL A 54 6.237 2.491 5.268 1.00 0.00 N ATOM 837 CA VAL A 54 6.218 2.924 3.876 1.00 0.00 C ATOM 838 C VAL A 54 6.303 4.442 3.772 1.00 0.00 C ATOM 839 O VAL A 54 6.067 5.157 4.747 1.00 0.00 O ATOM 840 CB VAL A 54 4.945 2.441 3.155 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.080 0.980 2.755 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.723 2.651 4.036 1.00 0.00 C ATOM 0 H VAL A 54 5.560 2.965 5.866 1.00 0.00 H new ATOM 0 HA VAL A 54 7.089 2.480 3.394 1.00 0.00 H new ATOM 0 HB VAL A 54 4.816 3.030 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.171 0.656 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.932 0.863 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.234 0.371 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.832 2.305 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.841 2.088 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.619 3.711 4.267 1.00 0.00 H new ATOM 852 N LEU A 55 6.640 4.930 2.583 1.00 0.00 N ATOM 853 CA LEU A 55 6.756 6.365 2.350 1.00 0.00 C ATOM 854 C LEU A 55 5.794 6.819 1.256 1.00 0.00 C ATOM 855 O LEU A 55 5.792 6.273 0.152 1.00 0.00 O ATOM 856 CB LEU A 55 8.192 6.725 1.963 1.00 0.00 C ATOM 857 CG LEU A 55 8.372 8.035 1.195 1.00 0.00 C ATOM 858 CD1 LEU A 55 7.776 9.197 1.974 1.00 0.00 C ATOM 859 CD2 LEU A 55 9.845 8.285 0.906 1.00 0.00 C ATOM 0 H LEU A 55 6.838 4.353 1.766 1.00 0.00 H new ATOM 0 HA LEU A 55 6.495 6.880 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.790 6.775 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.598 5.914 1.359 1.00 0.00 H new ATOM 0 HG LEU A 55 7.844 7.952 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.914 10.121 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.711 9.022 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.275 9.282 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.955 9.221 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.395 8.347 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.242 7.466 0.307 1.00 0.00 H new ATOM 871 N LEU A 56 4.981 7.821 1.569 1.00 0.00 N ATOM 872 CA LEU A 56 4.015 8.350 0.612 1.00 0.00 C ATOM 873 C LEU A 56 4.679 9.339 -0.341 1.00 0.00 C ATOM 874 O LEU A 56 4.174 10.440 -0.559 1.00 0.00 O ATOM 875 CB LEU A 56 2.859 9.030 1.347 1.00 0.00 C ATOM 876 CG LEU A 56 2.188 8.209 2.449 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.987 8.952 3.012 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.772 6.844 1.918 1.00 0.00 C ATOM 0 H LEU A 56 4.971 8.284 2.478 1.00 0.00 H new ATOM 0 HA LEU A 56 3.625 7.516 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.229 9.956 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.101 9.305 0.614 1.00 0.00 H new ATOM 0 HG LEU A 56 2.907 8.060 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.522 8.352 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.312 9.905 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.265 9.132 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.296 6.273 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.069 6.973 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.652 6.308 1.563 1.00 0.00 H new ATOM 890 N TYR A 57 5.811 8.937 -0.908 1.00 0.00 N ATOM 891 CA TYR A 57 6.544 9.788 -1.837 1.00 0.00 C ATOM 892 C TYR A 57 5.587 10.606 -2.698 1.00 0.00 C ATOM 893 O TYR A 57 5.880 11.745 -3.061 1.00 0.00 O ATOM 894 CB TYR A 57 7.452 8.940 -2.730 1.00 0.00 C ATOM 895 CG TYR A 57 6.728 7.814 -3.434 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.588 6.569 -2.832 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.185 7.994 -4.700 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.928 5.537 -3.471 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.522 6.968 -5.345 1.00 0.00 C ATOM 900 CZ TYR A 57 5.397 5.742 -4.727 1.00 0.00 C ATOM 901 OH TYR A 57 4.738 4.717 -5.368 1.00 0.00 O ATOM 0 H TYR A 57 6.241 8.027 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 57 7.157 10.475 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.918 9.584 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.255 8.521 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.002 6.406 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.283 8.952 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.829 4.575 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.104 7.125 -6.328 1.00 0.00 H new ATOM 0 HH TYR A 57 5.392 4.108 -5.770 1.00 0.00 H new ATOM 911 N ASP A 58 4.440 10.017 -3.020 1.00 0.00 N ATOM 912 CA ASP A 58 3.437 10.691 -3.836 1.00 0.00 C ATOM 913 C ASP A 58 3.091 12.058 -3.253 1.00 0.00 C ATOM 914 O ASP A 58 3.081 13.063 -3.964 1.00 0.00 O ATOM 915 CB ASP A 58 2.175 9.834 -3.941 1.00 0.00 C ATOM 916 CG ASP A 58 1.302 10.230 -5.115 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.042 11.441 -5.280 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.880 9.330 -5.871 1.00 0.00 O ATOM 0 H ASP A 58 4.182 9.074 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 58 3.853 10.836 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.458 8.786 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.601 9.923 -3.019 1.00 0.00 H new ATOM 923 N VAL A 59 2.808 12.088 -1.955 1.00 0.00 N ATOM 924 CA VAL A 59 2.461 13.331 -1.277 1.00 0.00 C ATOM 925 C VAL A 59 3.657 13.893 -0.515 1.00 0.00 C ATOM 926 O VAL A 59 3.933 15.091 -0.568 1.00 0.00 O ATOM 927 CB VAL A 59 1.291 13.129 -0.296 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.049 12.659 -1.037 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.676 12.142 0.795 1.00 0.00 C ATOM 0 H VAL A 59 2.812 11.266 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 59 2.159 14.039 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 59 1.064 14.086 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.767 12.522 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.236 13.405 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.259 11.713 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.838 12.011 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.930 11.183 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.537 12.524 1.344 1.00 0.00 H new ATOM 939 N GLY A 60 4.364 13.018 0.194 1.00 0.00 N ATOM 940 CA GLY A 60 5.522 13.446 0.957 1.00 0.00 C ATOM 941 C GLY A 60 5.318 13.299 2.452 1.00 0.00 C ATOM 942 O GLY A 60 5.613 14.216 3.218 1.00 0.00 O ATOM 0 H GLY A 60 4.156 12.021 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.390 12.861 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.742 14.488 0.724 1.00 0.00 H new ATOM 946 N VAL A 61 4.811 12.144 2.868 1.00 0.00 N ATOM 947 CA VAL A 61 4.567 11.880 4.281 1.00 0.00 C ATOM 948 C VAL A 61 5.069 10.497 4.677 1.00 0.00 C ATOM 949 O VAL A 61 4.705 9.495 4.062 1.00 0.00 O ATOM 950 CB VAL A 61 3.068 11.987 4.621 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.787 11.384 5.989 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.612 13.437 4.565 1.00 0.00 C ATOM 0 H VAL A 61 4.561 11.375 2.246 1.00 0.00 H new ATOM 0 HA VAL A 61 5.115 12.636 4.843 1.00 0.00 H new ATOM 0 HB VAL A 61 2.503 11.423 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.723 11.468 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.076 10.333 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.360 11.918 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.551 13.494 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.181 14.025 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.777 13.832 3.562 1.00 0.00 H new ATOM 962 N GLU A 62 5.907 10.450 5.708 1.00 0.00 N ATOM 963 CA GLU A 62 6.459 9.188 6.186 1.00 0.00 C ATOM 964 C GLU A 62 5.570 8.578 7.265 1.00 0.00 C ATOM 965 O GLU A 62 5.340 9.184 8.312 1.00 0.00 O ATOM 966 CB GLU A 62 7.872 9.399 6.734 1.00 0.00 C ATOM 967 CG GLU A 62 8.799 10.117 5.767 1.00 0.00 C ATOM 968 CD GLU A 62 9.955 10.804 6.469 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.429 10.270 7.494 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.386 11.874 5.992 1.00 0.00 O ATOM 0 H GLU A 62 6.218 11.271 6.228 1.00 0.00 H new ATOM 0 HA GLU A 62 6.502 8.498 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.812 9.972 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.303 8.430 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.191 9.400 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.229 10.856 5.204 1.00 0.00 H new ATOM 977 N LEU A 63 5.071 7.375 7.002 1.00 0.00 N ATOM 978 CA LEU A 63 4.205 6.682 7.949 1.00 0.00 C ATOM 979 C LEU A 63 4.321 5.170 7.787 1.00 0.00 C ATOM 980 O LEU A 63 5.017 4.682 6.897 1.00 0.00 O ATOM 981 CB LEU A 63 2.751 7.117 7.755 1.00 0.00 C ATOM 982 CG LEU A 63 1.913 6.255 6.810 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.490 6.784 6.725 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.549 6.205 5.428 1.00 0.00 C ATOM 0 H LEU A 63 5.251 6.859 6.141 1.00 0.00 H new ATOM 0 HA LEU A 63 4.525 6.947 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.264 7.131 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.746 8.141 7.381 1.00 0.00 H new ATOM 0 HG LEU A 63 1.878 5.241 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.091 6.158 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.036 6.766 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.504 7.808 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.939 5.587 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.615 7.214 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.549 5.778 5.503 1.00 0.00 H new ATOM 996 N VAL A 64 3.633 4.432 8.654 1.00 0.00 N ATOM 997 CA VAL A 64 3.656 2.975 8.605 1.00 0.00 C ATOM 998 C VAL A 64 2.248 2.400 8.703 1.00 0.00 C ATOM 999 O VAL A 64 1.510 2.692 9.644 1.00 0.00 O ATOM 1000 CB VAL A 64 4.519 2.389 9.738 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.104 2.972 11.081 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.420 0.871 9.753 1.00 0.00 C ATOM 0 H VAL A 64 3.053 4.820 9.398 1.00 0.00 H new ATOM 0 HA VAL A 64 4.092 2.697 7.646 1.00 0.00 H new ATOM 0 HB VAL A 64 5.559 2.660 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.724 2.547 11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.232 4.054 11.063 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.058 2.733 11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.036 0.474 10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.383 0.576 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.770 0.474 8.800 1.00 0.00 H new ATOM 1012 N VAL A 65 1.881 1.578 7.725 1.00 0.00 N ATOM 1013 CA VAL A 65 0.561 0.959 7.702 1.00 0.00 C ATOM 1014 C VAL A 65 0.660 -0.553 7.874 1.00 0.00 C ATOM 1015 O VAL A 65 1.755 -1.109 7.947 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.181 1.268 6.388 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.164 2.762 6.103 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.435 0.490 5.234 1.00 0.00 C ATOM 0 H VAL A 65 2.479 1.325 6.938 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.001 1.380 8.535 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.220 0.955 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.693 2.961 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.654 3.294 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.867 3.104 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.101 0.720 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.482 0.771 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.365 -0.579 5.437 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.493 -1.212 7.937 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.536 -2.661 8.101 1.00 0.00 C ATOM 1030 C ASN A 66 -0.573 -3.360 6.746 1.00 0.00 C ATOM 1031 O ASN A 66 -1.233 -2.900 5.815 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.758 -3.065 8.929 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.520 -4.330 9.731 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.473 -4.493 10.358 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.493 -5.233 9.713 1.00 0.00 N ATOM 0 H ASN A 66 -1.409 -0.766 7.877 1.00 0.00 H new ATOM 0 HA ASN A 66 0.368 -2.970 8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.019 -2.252 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.610 -3.213 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.390 -6.104 10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.344 -5.055 9.179 1.00 0.00 H new ATOM 1042 N VAL A 67 0.142 -4.476 6.643 1.00 0.00 N ATOM 1043 CA VAL A 67 0.191 -5.241 5.402 1.00 0.00 C ATOM 1044 C VAL A 67 -1.207 -5.653 4.955 1.00 0.00 C ATOM 1045 O VAL A 67 -1.426 -5.983 3.790 1.00 0.00 O ATOM 1046 CB VAL A 67 1.061 -6.503 5.554 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.517 -6.123 5.782 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.545 -7.372 6.691 1.00 0.00 C ATOM 0 H VAL A 67 0.695 -4.871 7.404 1.00 0.00 H new ATOM 0 HA VAL A 67 0.635 -4.591 4.648 1.00 0.00 H new ATOM 0 HB VAL A 67 1.000 -7.079 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.117 -7.027 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.879 -5.544 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.599 -5.525 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.171 -8.259 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.575 -6.807 7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.482 -7.673 6.482 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.152 -5.631 5.890 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.531 -6.000 5.592 1.00 0.00 C ATOM 1060 C ASP A 68 -4.170 -4.993 4.641 1.00 0.00 C ATOM 1061 O ASP A 68 -5.077 -5.333 3.880 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.347 -6.091 6.883 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.025 -7.336 7.685 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -3.005 -7.332 8.405 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -4.795 -8.315 7.593 1.00 0.00 O ATOM 0 H ASP A 68 -1.988 -5.362 6.860 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.523 -6.976 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.155 -5.209 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.409 -6.084 6.639 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.692 -3.755 4.690 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.218 -2.698 3.834 1.00 0.00 C ATOM 1072 C CYS A 69 -3.333 -2.500 2.608 1.00 0.00 C ATOM 1073 O CYS A 69 -3.748 -1.893 1.620 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.328 -1.388 4.615 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.876 -1.201 5.530 1.00 0.00 S ATOM 0 H CYS A 69 -2.941 -3.458 5.313 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.211 -2.997 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.495 -1.324 5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.226 -0.554 3.921 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.397 -0.039 5.269 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.111 -3.016 2.678 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.165 -2.895 1.574 1.00 0.00 C ATOM 1083 C LEU A 70 -1.600 -3.750 0.388 1.00 0.00 C ATOM 1084 O LEU A 70 -2.259 -4.776 0.558 1.00 0.00 O ATOM 1085 CB LEU A 70 0.236 -3.309 2.028 1.00 0.00 C ATOM 1086 CG LEU A 70 1.022 -2.261 2.817 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.379 -2.811 3.230 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.187 -0.990 1.998 1.00 0.00 C ATOM 0 H LEU A 70 -1.752 -3.522 3.487 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.145 -1.852 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.147 -4.206 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.816 -3.582 1.147 1.00 0.00 H new ATOM 0 HG LEU A 70 0.461 -2.018 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.924 -2.051 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.239 -3.693 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.947 -3.083 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.749 -0.256 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.726 -1.217 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.205 -0.585 1.753 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.226 -3.321 -0.813 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.577 -4.047 -2.028 1.00 0.00 C ATOM 1102 C ARG A 71 -0.467 -3.935 -3.068 1.00 0.00 C ATOM 1103 O ARG A 71 0.198 -2.904 -3.175 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.889 -3.513 -2.606 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.124 -4.007 -1.871 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.430 -5.458 -2.208 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.665 -5.650 -3.636 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.631 -6.836 -4.233 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.373 -7.930 -3.529 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -4.855 -6.930 -5.538 1.00 0.00 N ATOM 0 H ARG A 71 -0.680 -2.474 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.704 -5.098 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.872 -2.423 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.960 -3.804 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.974 -3.906 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.979 -3.383 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.599 -6.087 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.308 -5.783 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.866 -4.829 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.200 -7.862 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.348 -8.839 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.053 -6.091 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.829 -7.841 -5.996 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.271 -5.003 -3.834 1.00 0.00 N ATOM 1125 CA LYS A 72 0.758 -5.026 -4.867 1.00 0.00 C ATOM 1126 C LYS A 72 0.400 -4.085 -6.013 1.00 0.00 C ATOM 1127 O LYS A 72 -0.742 -4.058 -6.474 1.00 0.00 O ATOM 1128 CB LYS A 72 0.942 -6.449 -5.401 1.00 0.00 C ATOM 1129 CG LYS A 72 1.662 -7.372 -4.433 1.00 0.00 C ATOM 1130 CD LYS A 72 3.170 -7.214 -4.528 1.00 0.00 C ATOM 1131 CE LYS A 72 3.765 -8.158 -5.562 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.253 -8.185 -5.497 1.00 0.00 N ATOM 0 H LYS A 72 -0.812 -5.865 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 72 1.693 -4.688 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.036 -6.871 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.501 -6.408 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.336 -7.158 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.390 -8.406 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.413 -6.185 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.619 -7.409 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.376 -9.164 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.451 -7.850 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.613 -8.957 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.632 -7.279 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.555 -8.338 -4.514 1.00 0.00 H new ATOM 1146 N LEU A 73 1.381 -3.315 -6.469 1.00 0.00 N ATOM 1147 CA LEU A 73 1.170 -2.372 -7.562 1.00 0.00 C ATOM 1148 C LEU A 73 1.044 -3.104 -8.895 1.00 0.00 C ATOM 1149 O LEU A 73 2.046 -3.478 -9.504 1.00 0.00 O ATOM 1150 CB LEU A 73 2.321 -1.367 -7.625 1.00 0.00 C ATOM 1151 CG LEU A 73 2.000 -0.018 -8.269 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.200 0.853 -7.312 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.279 0.688 -8.694 1.00 0.00 C ATOM 0 H LEU A 73 2.331 -3.325 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 73 0.240 -1.837 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.676 -1.187 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.145 -1.822 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 73 1.395 -0.196 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.981 1.809 -7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.266 0.351 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.779 1.023 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.031 1.646 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.910 0.854 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.813 0.070 -9.416 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.192 -3.302 -9.341 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.447 -3.987 -10.603 1.00 0.00 C ATOM 1167 C GLU A 74 0.092 -3.179 -11.780 1.00 0.00 C ATOM 1168 O GLU A 74 -0.078 -1.962 -11.839 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.947 -4.232 -10.782 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.473 -5.406 -9.974 1.00 0.00 C ATOM 1171 CD GLU A 74 -2.201 -6.741 -10.640 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -2.055 -6.767 -11.880 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.135 -7.760 -9.921 1.00 0.00 O ATOM 0 H GLU A 74 -1.032 -2.998 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 74 0.070 -4.946 -10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.490 -3.332 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.155 -4.406 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.014 -5.397 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.547 -5.289 -9.827 1.00 0.00 H new ATOM 1180 N GLU A 75 0.742 -3.866 -12.714 1.00 0.00 N ATOM 1181 CA GLU A 75 1.307 -3.212 -13.888 1.00 0.00 C ATOM 1182 C GLU A 75 0.242 -2.407 -14.627 1.00 0.00 C ATOM 1183 O GLU A 75 0.429 -1.225 -14.912 1.00 0.00 O ATOM 1184 CB GLU A 75 1.923 -4.249 -14.830 1.00 0.00 C ATOM 1185 CG GLU A 75 2.820 -3.644 -15.897 1.00 0.00 C ATOM 1186 CD GLU A 75 3.659 -4.686 -16.612 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.079 -5.660 -17.134 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.897 -4.524 -16.650 1.00 0.00 O ATOM 0 H GLU A 75 0.890 -4.875 -12.680 1.00 0.00 H new ATOM 0 HA GLU A 75 2.087 -2.529 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.501 -4.963 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.123 -4.809 -15.314 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.206 -3.115 -16.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.478 -2.906 -15.438 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.876 -3.058 -14.935 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.971 -2.404 -15.642 1.00 0.00 C ATOM 1197 C ASN A 76 -2.246 -1.021 -15.059 1.00 0.00 C ATOM 1198 O ASN A 76 -2.285 -0.026 -15.783 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.236 -3.261 -15.571 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.497 -2.450 -15.793 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -5.382 -2.410 -14.938 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.586 -1.798 -16.947 1.00 0.00 N ATOM 0 H ASN A 76 -1.047 -4.037 -14.706 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.678 -2.287 -16.685 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.179 -4.051 -16.320 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.287 -3.748 -14.597 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.412 -1.236 -17.153 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.828 -1.859 -17.627 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.437 -0.967 -13.745 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.708 0.294 -13.063 1.00 0.00 C ATOM 1211 C LEU A 77 -1.600 1.307 -13.331 1.00 0.00 C ATOM 1212 O LEU A 77 -1.859 2.502 -13.478 1.00 0.00 O ATOM 1213 CB LEU A 77 -2.850 0.061 -11.558 1.00 0.00 C ATOM 1214 CG LEU A 77 -3.911 -0.954 -11.132 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -3.954 -1.077 -9.617 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.276 -0.560 -11.676 1.00 0.00 C ATOM 0 H LEU A 77 -2.409 -1.781 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.643 0.696 -13.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.886 -0.267 -11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.078 1.015 -11.083 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.644 -1.926 -11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.715 -1.804 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.982 -1.407 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.196 -0.108 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.018 -1.294 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.552 0.422 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.238 -0.525 -12.765 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.365 0.823 -13.395 1.00 0.00 N ATOM 1229 CA LYS A 78 0.783 1.684 -13.649 1.00 0.00 C ATOM 1230 C LYS A 78 0.652 2.382 -14.999 1.00 0.00 C ATOM 1231 O LYS A 78 0.932 3.575 -15.123 1.00 0.00 O ATOM 1232 CB LYS A 78 2.078 0.869 -13.608 1.00 0.00 C ATOM 1233 CG LYS A 78 3.318 1.709 -13.359 1.00 0.00 C ATOM 1234 CD LYS A 78 4.564 1.046 -13.923 1.00 0.00 C ATOM 1235 CE LYS A 78 5.080 -0.046 -12.998 1.00 0.00 C ATOM 1236 NZ LYS A 78 5.555 0.506 -11.699 1.00 0.00 N ATOM 0 H LYS A 78 -0.133 -0.163 -13.274 1.00 0.00 H new ATOM 0 HA LYS A 78 0.815 2.444 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.998 0.114 -12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.193 0.338 -14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.190 2.691 -13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.442 1.867 -12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.340 0.620 -14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.341 1.796 -14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.288 -0.772 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.896 -0.580 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.081 -0.227 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.178 1.320 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.738 0.812 -11.132 1.00 0.00 H new ATOM 1250 N THR A 79 0.222 1.632 -16.009 1.00 0.00 N ATOM 1251 CA THR A 79 0.053 2.179 -17.349 1.00 0.00 C ATOM 1252 C THR A 79 -1.403 2.101 -17.795 1.00 0.00 C ATOM 1253 O THR A 79 -1.779 1.216 -18.563 1.00 0.00 O ATOM 1254 CB THR A 79 0.932 1.437 -18.373 1.00 0.00 C ATOM 1255 OG1 THR A 79 0.687 0.028 -18.301 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.407 1.714 -18.121 1.00 0.00 C ATOM 0 H THR A 79 -0.016 0.644 -15.924 1.00 0.00 H new ATOM 0 HA THR A 79 0.361 3.224 -17.306 1.00 0.00 H new ATOM 0 HB THR A 79 0.675 1.799 -19.369 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.272 -0.143 -18.409 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.008 1.179 -18.856 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.596 2.784 -18.206 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.675 1.377 -17.119 1.00 0.00 H new ATOM 1264 N MET A 80 -2.216 3.032 -17.310 1.00 0.00 N ATOM 1265 CA MET A 80 -3.631 3.069 -17.661 1.00 0.00 C ATOM 1266 C MET A 80 -3.864 3.943 -18.889 1.00 0.00 C ATOM 1267 O MET A 80 -3.558 5.135 -18.882 1.00 0.00 O ATOM 1268 CB MET A 80 -4.457 3.592 -16.484 1.00 0.00 C ATOM 1269 CG MET A 80 -5.920 3.180 -16.537 1.00 0.00 C ATOM 1270 SD MET A 80 -6.140 1.392 -16.456 1.00 0.00 S ATOM 1271 CE MET A 80 -6.337 1.155 -14.692 1.00 0.00 C ATOM 0 H MET A 80 -1.920 3.771 -16.673 1.00 0.00 H new ATOM 0 HA MET A 80 -3.948 2.053 -17.895 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.019 3.229 -15.554 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.395 4.680 -16.462 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.455 3.646 -15.710 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.366 3.556 -17.458 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.483 0.601 -14.302 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.396 2.125 -14.199 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.252 0.594 -14.500 1.00 0.00 H new ATOM 1281 N GLY A 81 -4.408 3.343 -19.944 1.00 0.00 N ATOM 1282 CA GLY A 81 -4.671 4.082 -21.164 1.00 0.00 C ATOM 1283 C GLY A 81 -3.651 3.795 -22.248 1.00 0.00 C ATOM 1284 O GLY A 81 -3.610 2.694 -22.795 1.00 0.00 O ATOM 0 H GLY A 81 -4.671 2.358 -19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.666 3.830 -21.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.673 5.150 -20.945 1.00 0.00 H new ATOM 1288 N ARG A 82 -2.825 4.790 -22.559 1.00 0.00 N ATOM 1289 CA ARG A 82 -1.802 4.640 -23.586 1.00 0.00 C ATOM 1290 C ARG A 82 -0.597 3.875 -23.046 1.00 0.00 C ATOM 1291 O ARG A 82 0.093 4.342 -22.139 1.00 0.00 O ATOM 1292 CB ARG A 82 -1.360 6.011 -24.100 1.00 0.00 C ATOM 1293 CG ARG A 82 -2.480 6.810 -24.745 1.00 0.00 C ATOM 1294 CD ARG A 82 -2.109 8.278 -24.885 1.00 0.00 C ATOM 1295 NE ARG A 82 -1.201 8.509 -26.005 1.00 0.00 N ATOM 1296 CZ ARG A 82 -0.855 9.718 -26.433 1.00 0.00 C ATOM 1297 NH1 ARG A 82 -1.339 10.799 -25.839 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -0.023 9.846 -27.459 1.00 0.00 N ATOM 0 H ARG A 82 -2.845 5.708 -22.114 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.232 4.072 -24.411 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.947 6.585 -23.270 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.557 5.876 -24.825 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.705 6.395 -25.728 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.386 6.718 -24.145 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.014 8.869 -25.025 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.642 8.623 -23.963 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.811 7.698 -26.485 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.979 10.704 -25.051 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.071 11.726 -26.170 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.351 9.016 -27.919 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.243 10.774 -27.788 1.00 0.00 H new ATOM 1312 N LEU A 83 -0.351 2.696 -23.608 1.00 0.00 N ATOM 1313 CA LEU A 83 0.770 1.865 -23.183 1.00 0.00 C ATOM 1314 C LEU A 83 2.004 2.135 -24.039 1.00 0.00 C ATOM 1315 O LEU A 83 1.938 2.103 -25.267 1.00 0.00 O ATOM 1316 CB LEU A 83 0.393 0.385 -23.264 1.00 0.00 C ATOM 1317 CG LEU A 83 -0.123 -0.103 -24.618 1.00 0.00 C ATOM 1318 CD1 LEU A 83 0.119 -1.596 -24.775 1.00 0.00 C ATOM 1319 CD2 LEU A 83 -1.602 0.220 -24.773 1.00 0.00 C ATOM 0 H LEU A 83 -0.913 2.294 -24.359 1.00 0.00 H new ATOM 0 HA LEU A 83 1.006 2.117 -22.149 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.268 -0.207 -22.996 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.371 0.184 -22.513 1.00 0.00 H new ATOM 0 HG LEU A 83 0.426 0.417 -25.403 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.255 -1.925 -25.745 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.188 -1.800 -24.710 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.402 -2.134 -23.983 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.952 -0.135 -25.742 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.167 -0.272 -23.981 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.748 1.298 -24.707 1.00 0.00 H new ATOM 1331 N SER A 84 3.128 2.400 -23.381 1.00 0.00 N ATOM 1332 CA SER A 84 4.377 2.677 -24.081 1.00 0.00 C ATOM 1333 C SER A 84 5.558 2.650 -23.117 1.00 0.00 C ATOM 1334 O SER A 84 5.642 3.465 -22.196 1.00 0.00 O ATOM 1335 CB SER A 84 4.303 4.036 -24.779 1.00 0.00 C ATOM 1336 OG SER A 84 4.252 5.092 -23.836 1.00 0.00 O ATOM 0 H SER A 84 3.199 2.429 -22.364 1.00 0.00 H new ATOM 0 HA SER A 84 4.526 1.899 -24.830 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.171 4.164 -25.426 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.421 4.072 -25.418 1.00 0.00 H new ATOM 0 HG SER A 84 4.643 4.793 -22.989 1.00 0.00 H new ATOM 1342 N LEU A 85 6.470 1.709 -23.334 1.00 0.00 N ATOM 1343 CA LEU A 85 7.648 1.575 -22.484 1.00 0.00 C ATOM 1344 C LEU A 85 8.687 2.640 -22.822 1.00 0.00 C ATOM 1345 O LEU A 85 9.381 2.546 -23.834 1.00 0.00 O ATOM 1346 CB LEU A 85 8.260 0.182 -22.642 1.00 0.00 C ATOM 1347 CG LEU A 85 7.745 -0.890 -21.681 1.00 0.00 C ATOM 1348 CD1 LEU A 85 8.060 -0.512 -20.242 1.00 0.00 C ATOM 1349 CD2 LEU A 85 6.249 -1.097 -21.865 1.00 0.00 C ATOM 0 H LEU A 85 6.417 1.028 -24.091 1.00 0.00 H new ATOM 0 HA LEU A 85 7.336 1.713 -21.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.082 -0.157 -23.662 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.340 0.265 -22.517 1.00 0.00 H new ATOM 0 HG LEU A 85 8.252 -1.828 -21.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.686 -1.286 -19.572 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.139 -0.416 -20.119 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.581 0.437 -20.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.900 -1.863 -21.173 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.725 -0.162 -21.666 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.049 -1.414 -22.888 1.00 0.00 H new TER 1361 LEU A 85