USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 64 LYS NZ :NH3+ -167:sc= -1 (180deg=-0.92) USER MOD Set 1.2: A 81 ASN : amide:sc= -13.2! C(o=-14!,f=-19!) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0 (180deg=-0.532) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.124 (180deg=-0.521) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 TYR OH : rot -173:sc= -0.0596! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -10:sc= 0.625 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -162:sc= 1.34 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.42 F(o=-3.8!,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.625 F(o=-4!,f=-0.62) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.05 F(o=-7.6!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 51 SER OG : rot 88:sc= 0.757 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.49! C(o=-4.5!,f=-6.4!) USER MOD Single : A 68 THR OG1 : rot -40:sc= 0.251 USER MOD Single : A 69 ASN : amide:sc=-0.00853 K(o=-0.0085,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.59! C(o=-2.4!,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0.175 USER MOD Single : A 78 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.4!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.083 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -40.675 -0.443 9.284 1.00 0.00 N ATOM 2 CA SER A 1 -40.673 0.757 8.409 1.00 0.00 C ATOM 3 C SER A 1 -39.289 0.988 7.804 1.00 0.00 C ATOM 4 O SER A 1 -38.563 1.890 8.224 1.00 0.00 O ATOM 5 CB SER A 1 -41.105 1.988 9.206 1.00 0.00 C ATOM 6 OG SER A 1 -42.413 1.827 9.726 1.00 0.00 O ATOM 0 H1 SER A 1 -41.580 -0.945 9.182 1.00 0.00 H new ATOM 0 H2 SER A 1 -39.896 -1.074 9.009 1.00 0.00 H new ATOM 0 H3 SER A 1 -40.551 -0.151 10.274 1.00 0.00 H new ATOM 0 HA SER A 1 -41.380 0.588 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 1 -40.404 2.160 10.023 1.00 0.00 H new ATOM 0 HB3 SER A 1 -41.071 2.870 8.566 1.00 0.00 H new ATOM 0 HG SER A 1 -42.664 2.627 10.233 1.00 0.00 H new ATOM 14 N PRO A 2 -38.905 0.171 6.805 1.00 0.00 N ATOM 15 CA PRO A 2 -37.602 0.291 6.143 1.00 0.00 C ATOM 16 C PRO A 2 -37.520 1.503 5.225 1.00 0.00 C ATOM 17 O PRO A 2 -37.608 1.376 4.003 1.00 0.00 O ATOM 18 CB PRO A 2 -37.499 -0.998 5.329 1.00 0.00 C ATOM 19 CG PRO A 2 -38.912 -1.373 5.044 1.00 0.00 C ATOM 20 CD PRO A 2 -39.708 -0.933 6.243 1.00 0.00 C ATOM 0 HA PRO A 2 -36.795 0.427 6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -36.936 -0.842 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -36.986 -1.780 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -39.270 -0.885 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -39.006 -2.447 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -40.707 -0.600 5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -39.833 -1.744 6.961 1.00 0.00 H new ATOM 28 N ALA A 3 -37.353 2.682 5.818 1.00 0.00 N ATOM 29 CA ALA A 3 -37.236 3.908 5.043 1.00 0.00 C ATOM 30 C ALA A 3 -35.949 3.875 4.230 1.00 0.00 C ATOM 31 O ALA A 3 -35.699 4.740 3.391 1.00 0.00 O ATOM 32 CB ALA A 3 -37.265 5.123 5.958 1.00 0.00 C ATOM 0 H ALA A 3 -37.296 2.812 6.828 1.00 0.00 H new ATOM 0 HA ALA A 3 -38.083 3.982 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -37.176 6.030 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -38.206 5.141 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -36.434 5.069 6.661 1.00 0.00 H new ATOM 38 N ALA A 4 -35.138 2.857 4.500 1.00 0.00 N ATOM 39 CA ALA A 4 -33.872 2.665 3.812 1.00 0.00 C ATOM 40 C ALA A 4 -34.025 1.662 2.675 1.00 0.00 C ATOM 41 O ALA A 4 -33.054 1.038 2.248 1.00 0.00 O ATOM 42 CB ALA A 4 -32.821 2.185 4.801 1.00 0.00 C ATOM 0 H ALA A 4 -35.342 2.145 5.201 1.00 0.00 H new ATOM 0 HA ALA A 4 -33.555 3.617 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -31.873 2.042 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -32.696 2.928 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -33.140 1.240 5.241 1.00 0.00 H new ATOM 48 N MET A 5 -35.256 1.510 2.193 1.00 0.00 N ATOM 49 CA MET A 5 -35.546 0.579 1.108 1.00 0.00 C ATOM 50 C MET A 5 -34.655 0.850 -0.099 1.00 0.00 C ATOM 51 O MET A 5 -33.932 -0.033 -0.560 1.00 0.00 O ATOM 52 CB MET A 5 -37.018 0.680 0.703 1.00 0.00 C ATOM 53 CG MET A 5 -37.405 -0.256 -0.430 1.00 0.00 C ATOM 54 SD MET A 5 -39.121 -0.053 -0.946 1.00 0.00 S ATOM 55 CE MET A 5 -39.982 -0.530 0.549 1.00 0.00 C ATOM 0 H MET A 5 -36.069 2.021 2.538 1.00 0.00 H new ATOM 0 HA MET A 5 -35.341 -0.430 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 5 -37.640 0.462 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 5 -37.234 1.706 0.405 1.00 0.00 H new ATOM 0 HG2 MET A 5 -36.750 -0.078 -1.283 1.00 0.00 H new ATOM 0 HG3 MET A 5 -37.244 -1.287 -0.115 1.00 0.00 H new ATOM 0 HE1 MET A 5 -41.024 -0.749 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 5 -39.511 -1.417 0.973 1.00 0.00 H new ATOM 0 HE3 MET A 5 -39.936 0.285 1.271 1.00 0.00 H new ATOM 65 N GLU A 6 -34.712 2.077 -0.608 1.00 0.00 N ATOM 66 CA GLU A 6 -33.909 2.466 -1.763 1.00 0.00 C ATOM 67 C GLU A 6 -32.580 3.072 -1.324 1.00 0.00 C ATOM 68 O GLU A 6 -31.851 3.646 -2.133 1.00 0.00 O ATOM 69 CB GLU A 6 -34.677 3.465 -2.633 1.00 0.00 C ATOM 70 CG GLU A 6 -35.994 2.923 -3.164 1.00 0.00 C ATOM 71 CD GLU A 6 -35.816 1.668 -3.999 1.00 0.00 C ATOM 72 OE1 GLU A 6 -35.590 1.795 -5.220 1.00 0.00 O ATOM 73 OE2 GLU A 6 -35.905 0.560 -3.430 1.00 0.00 O ATOM 0 H GLU A 6 -35.306 2.819 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 6 -33.703 1.570 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -34.873 4.366 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.049 3.759 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -36.657 2.706 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -36.481 3.690 -3.767 1.00 0.00 H new ATOM 80 N ARG A 7 -32.270 2.940 -0.037 1.00 0.00 N ATOM 81 CA ARG A 7 -31.023 3.474 0.509 1.00 0.00 C ATOM 82 C ARG A 7 -30.075 2.343 0.894 1.00 0.00 C ATOM 83 O ARG A 7 -30.499 1.321 1.433 1.00 0.00 O ATOM 84 CB ARG A 7 -31.296 4.367 1.725 1.00 0.00 C ATOM 85 CG ARG A 7 -32.262 5.504 1.436 1.00 0.00 C ATOM 86 CD ARG A 7 -32.469 6.384 2.658 1.00 0.00 C ATOM 87 NE ARG A 7 -33.330 7.527 2.366 1.00 0.00 N ATOM 88 CZ ARG A 7 -33.227 8.705 2.977 1.00 0.00 C ATOM 89 NH1 ARG A 7 -32.312 8.891 3.919 1.00 0.00 N ATOM 90 NH2 ARG A 7 -34.041 9.697 2.645 1.00 0.00 N ATOM 0 H ARG A 7 -32.863 2.469 0.647 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.551 4.078 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.698 3.755 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.353 4.783 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -31.880 6.107 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.220 5.096 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -32.910 5.793 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -31.503 6.739 3.017 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.051 7.416 1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -31.684 8.130 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -32.236 9.795 4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -34.746 9.558 1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -33.962 10.600 3.113 1.00 0.00 H new ATOM 104 N GLN A 8 -28.789 2.531 0.611 1.00 0.00 N ATOM 105 CA GLN A 8 -27.780 1.523 0.923 1.00 0.00 C ATOM 106 C GLN A 8 -26.545 2.170 1.545 1.00 0.00 C ATOM 107 O GLN A 8 -26.232 3.328 1.271 1.00 0.00 O ATOM 108 CB GLN A 8 -27.388 0.754 -0.352 1.00 0.00 C ATOM 109 CG GLN A 8 -26.610 1.594 -1.353 1.00 0.00 C ATOM 110 CD GLN A 8 -26.283 0.830 -2.623 1.00 0.00 C ATOM 111 OE1 GLN A 8 -27.022 -0.067 -3.031 1.00 0.00 O ATOM 112 NE2 GLN A 8 -25.170 1.182 -3.256 1.00 0.00 N ATOM 0 H GLN A 8 -28.421 3.372 0.166 1.00 0.00 H new ATOM 0 HA GLN A 8 -28.203 0.824 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.789 -0.113 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -28.291 0.377 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.190 2.482 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -25.685 1.939 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.586 1.931 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -24.899 0.704 -4.115 1.00 0.00 H new ATOM 121 N VAL A 9 -25.850 1.410 2.387 1.00 0.00 N ATOM 122 CA VAL A 9 -24.649 1.903 3.054 1.00 0.00 C ATOM 123 C VAL A 9 -23.410 1.686 2.184 1.00 0.00 C ATOM 124 O VAL A 9 -23.045 0.545 1.896 1.00 0.00 O ATOM 125 CB VAL A 9 -24.431 1.207 4.415 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.238 1.806 5.149 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.687 1.289 5.267 1.00 0.00 C ATOM 0 H VAL A 9 -26.098 0.449 2.624 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.796 2.970 3.220 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.215 0.155 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.106 1.298 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.339 1.682 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -23.414 2.867 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.512 0.793 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.940 2.335 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.511 0.799 4.749 1.00 0.00 H new ATOM 137 N PRO A 10 -22.743 2.775 1.752 1.00 0.00 N ATOM 138 CA PRO A 10 -21.544 2.682 0.913 1.00 0.00 C ATOM 139 C PRO A 10 -20.305 2.301 1.715 1.00 0.00 C ATOM 140 O PRO A 10 -20.126 2.748 2.848 1.00 0.00 O ATOM 141 CB PRO A 10 -21.405 4.096 0.354 1.00 0.00 C ATOM 142 CG PRO A 10 -21.982 4.970 1.412 1.00 0.00 C ATOM 143 CD PRO A 10 -23.098 4.180 2.044 1.00 0.00 C ATOM 0 HA PRO A 10 -21.634 1.910 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.362 4.345 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.942 4.205 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -21.227 5.238 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -22.356 5.901 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.160 4.363 3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.066 4.445 1.619 1.00 0.00 H new ATOM 151 N TYR A 11 -19.449 1.475 1.120 1.00 0.00 N ATOM 152 CA TYR A 11 -18.224 1.037 1.781 1.00 0.00 C ATOM 153 C TYR A 11 -17.020 1.828 1.275 1.00 0.00 C ATOM 154 O TYR A 11 -16.628 1.707 0.115 1.00 0.00 O ATOM 155 CB TYR A 11 -18.001 -0.465 1.552 1.00 0.00 C ATOM 156 CG TYR A 11 -16.614 -0.942 1.938 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.247 -1.082 3.272 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.672 -1.249 0.964 1.00 0.00 C ATOM 159 CE1 TYR A 11 -14.980 -1.514 3.623 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.405 -1.683 1.308 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.065 -1.813 2.637 1.00 0.00 C ATOM 162 OH TYR A 11 -12.805 -2.240 2.980 1.00 0.00 O ATOM 0 H TYR A 11 -19.581 1.096 0.182 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.332 1.220 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.740 -1.024 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.174 -0.693 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -16.963 -0.850 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.934 -1.147 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.710 -1.616 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.685 -1.919 0.538 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.249 -2.299 2.175 1.00 0.00 H new ATOM 172 N THR A 12 -16.442 2.637 2.156 1.00 0.00 N ATOM 173 CA THR A 12 -15.281 3.445 1.809 1.00 0.00 C ATOM 174 C THR A 12 -14.054 3.005 2.601 1.00 0.00 C ATOM 175 O THR A 12 -14.041 3.101 3.828 1.00 0.00 O ATOM 176 CB THR A 12 -15.529 4.942 2.081 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.395 5.487 1.078 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.215 5.717 2.106 1.00 0.00 C ATOM 0 H THR A 12 -16.760 2.750 3.118 1.00 0.00 H new ATOM 0 HA THR A 12 -15.106 3.299 0.743 1.00 0.00 H new ATOM 0 HB THR A 12 -16.003 5.036 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.548 6.438 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.417 6.770 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.573 5.320 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.714 5.615 1.143 1.00 0.00 H new ATOM 186 N PRO A 13 -13.001 2.514 1.922 1.00 0.00 N ATOM 187 CA PRO A 13 -11.783 2.084 2.576 1.00 0.00 C ATOM 188 C PRO A 13 -10.814 3.243 2.776 1.00 0.00 C ATOM 189 O PRO A 13 -10.191 3.718 1.826 1.00 0.00 O ATOM 190 CB PRO A 13 -11.192 1.065 1.582 1.00 0.00 C ATOM 191 CG PRO A 13 -12.134 1.023 0.425 1.00 0.00 C ATOM 192 CD PRO A 13 -12.898 2.305 0.484 1.00 0.00 C ATOM 0 HA PRO A 13 -11.966 1.676 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.194 1.366 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.096 0.082 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.594 0.931 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.802 0.165 0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.371 3.120 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.876 2.222 0.010 1.00 0.00 H new ATOM 200 N CYS A 14 -10.707 3.689 4.021 1.00 0.00 N ATOM 201 CA CYS A 14 -9.797 4.772 4.394 1.00 0.00 C ATOM 202 C CYS A 14 -10.242 6.111 3.813 1.00 0.00 C ATOM 203 O CYS A 14 -10.780 6.175 2.708 1.00 0.00 O ATOM 204 CB CYS A 14 -8.374 4.451 3.935 1.00 0.00 C ATOM 205 SG CYS A 14 -7.899 2.709 4.171 1.00 0.00 S ATOM 0 H CYS A 14 -11.246 3.313 4.801 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.817 4.856 5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.277 4.704 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.675 5.085 4.480 1.00 0.00 H new ATOM 210 N SER A 15 -10.003 7.180 4.571 1.00 0.00 N ATOM 211 CA SER A 15 -10.372 8.526 4.149 1.00 0.00 C ATOM 212 C SER A 15 -9.621 9.578 4.961 1.00 0.00 C ATOM 213 O SER A 15 -9.421 9.420 6.165 1.00 0.00 O ATOM 214 CB SER A 15 -11.879 8.741 4.302 1.00 0.00 C ATOM 215 OG SER A 15 -12.610 7.879 3.448 1.00 0.00 O ATOM 0 H SER A 15 -9.553 7.137 5.485 1.00 0.00 H new ATOM 0 HA SER A 15 -10.099 8.632 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.171 8.564 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.126 9.778 4.074 1.00 0.00 H new ATOM 0 HG SER A 15 -11.997 7.445 2.819 1.00 0.00 H new ATOM 221 N GLY A 16 -9.206 10.651 4.293 1.00 0.00 N ATOM 222 CA GLY A 16 -8.492 11.717 4.971 1.00 0.00 C ATOM 223 C GLY A 16 -6.984 11.571 4.886 1.00 0.00 C ATOM 224 O GLY A 16 -6.326 12.301 4.144 1.00 0.00 O ATOM 0 H GLY A 16 -9.352 10.800 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.783 12.674 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.791 11.737 6.019 1.00 0.00 H new ATOM 228 N LEU A 17 -6.435 10.628 5.647 1.00 0.00 N ATOM 229 CA LEU A 17 -4.994 10.401 5.661 1.00 0.00 C ATOM 230 C LEU A 17 -4.480 10.054 4.267 1.00 0.00 C ATOM 231 O LEU A 17 -3.527 10.664 3.781 1.00 0.00 O ATOM 232 CB LEU A 17 -4.643 9.277 6.645 1.00 0.00 C ATOM 233 CG LEU A 17 -5.160 9.475 8.075 1.00 0.00 C ATOM 234 CD1 LEU A 17 -4.785 8.284 8.944 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.613 10.762 8.677 1.00 0.00 C ATOM 0 H LEU A 17 -6.966 10.010 6.261 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.510 11.323 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.042 8.340 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.559 9.172 6.679 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.247 9.552 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.159 8.440 9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.227 7.378 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.700 8.180 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.994 10.880 9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.524 10.718 8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.929 11.611 8.070 1.00 0.00 H new ATOM 247 N TYR A 18 -5.114 9.078 3.625 1.00 0.00 N ATOM 248 CA TYR A 18 -4.717 8.667 2.283 1.00 0.00 C ATOM 249 C TYR A 18 -5.937 8.602 1.371 1.00 0.00 C ATOM 250 O TYR A 18 -5.899 9.038 0.220 1.00 0.00 O ATOM 251 CB TYR A 18 -4.013 7.304 2.340 1.00 0.00 C ATOM 252 CG TYR A 18 -3.019 7.202 3.476 1.00 0.00 C ATOM 253 CD1 TYR A 18 -1.919 8.048 3.544 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.192 6.271 4.490 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.020 7.967 4.590 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.299 6.184 5.541 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.215 7.034 5.587 1.00 0.00 C ATOM 258 OH TYR A 18 -0.324 6.951 6.632 1.00 0.00 O ATOM 0 H TYR A 18 -5.902 8.558 4.011 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.022 9.402 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.761 6.518 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.498 7.127 1.396 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.764 8.781 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.040 5.602 4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.169 8.631 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.450 5.454 6.322 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.607 6.243 7.248 1.00 0.00 H new ATOM 268 N GLY A 19 -7.017 8.052 1.912 1.00 0.00 N ATOM 269 CA GLY A 19 -8.269 7.956 1.183 1.00 0.00 C ATOM 270 C GLY A 19 -8.168 7.201 -0.131 1.00 0.00 C ATOM 271 O GLY A 19 -9.051 7.328 -0.978 1.00 0.00 O ATOM 0 H GLY A 19 -7.048 7.666 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.008 7.464 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.638 8.962 0.984 1.00 0.00 H new ATOM 275 N THR A 20 -7.109 6.416 -0.316 1.00 0.00 N ATOM 276 CA THR A 20 -6.943 5.676 -1.563 1.00 0.00 C ATOM 277 C THR A 20 -6.634 4.199 -1.331 1.00 0.00 C ATOM 278 O THR A 20 -5.534 3.844 -0.909 1.00 0.00 O ATOM 279 CB THR A 20 -5.828 6.292 -2.430 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.104 7.678 -2.665 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.708 5.563 -3.762 1.00 0.00 C ATOM 0 H THR A 20 -6.366 6.277 0.369 1.00 0.00 H new ATOM 0 HA THR A 20 -7.898 5.747 -2.084 1.00 0.00 H new ATOM 0 HB THR A 20 -4.884 6.192 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.571 7.993 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.914 6.017 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.472 4.514 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.652 5.635 -4.303 1.00 0.00 H new ATOM 289 N ALA A 21 -7.615 3.343 -1.615 1.00 0.00 N ATOM 290 CA ALA A 21 -7.436 1.898 -1.467 1.00 0.00 C ATOM 291 C ALA A 21 -6.677 1.340 -2.670 1.00 0.00 C ATOM 292 O ALA A 21 -6.921 1.757 -3.802 1.00 0.00 O ATOM 293 CB ALA A 21 -8.784 1.208 -1.323 1.00 0.00 C ATOM 0 H ALA A 21 -8.538 3.623 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.855 1.707 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.633 0.134 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.298 1.594 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.388 1.401 -2.209 1.00 0.00 H new ATOM 299 N GLN A 22 -5.758 0.397 -2.438 1.00 0.00 N ATOM 300 CA GLN A 22 -4.982 -0.175 -3.536 1.00 0.00 C ATOM 301 C GLN A 22 -4.214 -1.416 -3.097 1.00 0.00 C ATOM 302 O GLN A 22 -4.255 -1.806 -1.932 1.00 0.00 O ATOM 303 CB GLN A 22 -4.010 0.871 -4.090 1.00 0.00 C ATOM 304 CG GLN A 22 -3.049 1.425 -3.050 1.00 0.00 C ATOM 305 CD GLN A 22 -2.342 2.683 -3.516 1.00 0.00 C ATOM 306 OE1 GLN A 22 -2.117 2.792 -4.821 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -2.001 3.551 -2.711 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.538 0.021 -1.516 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.681 -0.475 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.435 0.426 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.582 1.694 -4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.597 1.640 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.306 0.665 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.193 3.428 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.527 4.393 -3.039 1.00 0.00 H new ATOM 316 N CYS A 23 -3.515 -2.034 -4.046 1.00 0.00 N ATOM 317 CA CYS A 23 -2.735 -3.235 -3.769 1.00 0.00 C ATOM 318 C CYS A 23 -1.248 -2.901 -3.668 1.00 0.00 C ATOM 319 O CYS A 23 -0.649 -2.413 -4.627 1.00 0.00 O ATOM 320 CB CYS A 23 -2.959 -4.274 -4.869 1.00 0.00 C ATOM 321 SG CYS A 23 -4.705 -4.503 -5.336 1.00 0.00 S ATOM 0 H CYS A 23 -3.474 -1.721 -5.016 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.066 -3.646 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.394 -3.978 -5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.555 -5.230 -4.538 1.00 0.00 H new ATOM 326 N CYS A 24 -0.654 -3.170 -2.507 1.00 0.00 N ATOM 327 CA CYS A 24 0.766 -2.890 -2.295 1.00 0.00 C ATOM 328 C CYS A 24 1.592 -4.169 -2.346 1.00 0.00 C ATOM 329 O CYS A 24 1.511 -5.007 -1.449 1.00 0.00 O ATOM 330 CB CYS A 24 0.980 -2.183 -0.952 1.00 0.00 C ATOM 331 SG CYS A 24 0.207 -0.538 -0.857 1.00 0.00 S ATOM 0 H CYS A 24 -1.130 -3.579 -1.703 1.00 0.00 H new ATOM 0 HA CYS A 24 1.099 -2.234 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.580 -2.809 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.050 -2.082 -0.771 1.00 0.00 H new ATOM 336 N ALA A 25 2.387 -4.311 -3.402 1.00 0.00 N ATOM 337 CA ALA A 25 3.235 -5.483 -3.567 1.00 0.00 C ATOM 338 C ALA A 25 4.559 -5.290 -2.841 1.00 0.00 C ATOM 339 O ALA A 25 5.450 -4.595 -3.329 1.00 0.00 O ATOM 340 CB ALA A 25 3.471 -5.762 -5.044 1.00 0.00 C ATOM 0 H ALA A 25 2.461 -3.628 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 25 2.727 -6.343 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.107 -6.641 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.516 -5.942 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.960 -4.903 -5.503 1.00 0.00 H new ATOM 346 N THR A 26 4.683 -5.908 -1.671 1.00 0.00 N ATOM 347 CA THR A 26 5.898 -5.792 -0.877 1.00 0.00 C ATOM 348 C THR A 26 7.085 -6.425 -1.586 1.00 0.00 C ATOM 349 O THR A 26 6.922 -7.256 -2.479 1.00 0.00 O ATOM 350 CB THR A 26 5.749 -6.451 0.507 1.00 0.00 C ATOM 351 OG1 THR A 26 5.510 -7.856 0.359 1.00 0.00 O ATOM 352 CG2 THR A 26 4.613 -5.819 1.298 1.00 0.00 C ATOM 0 H THR A 26 3.959 -6.492 -1.254 1.00 0.00 H new ATOM 0 HA THR A 26 6.072 -4.724 -0.746 1.00 0.00 H new ATOM 0 HB THR A 26 6.678 -6.295 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.418 -8.267 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.532 -6.305 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.814 -4.757 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.677 -5.942 0.752 1.00 0.00 H new ATOM 360 N ASP A 27 8.280 -6.022 -1.174 1.00 0.00 N ATOM 361 CA ASP A 27 9.512 -6.545 -1.757 1.00 0.00 C ATOM 362 C ASP A 27 9.775 -7.973 -1.278 1.00 0.00 C ATOM 363 O ASP A 27 9.016 -8.512 -0.472 1.00 0.00 O ATOM 364 CB ASP A 27 10.690 -5.639 -1.393 1.00 0.00 C ATOM 365 CG ASP A 27 11.886 -5.843 -2.305 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.901 -5.251 -3.405 1.00 0.00 O ATOM 367 OD2 ASP A 27 12.807 -6.593 -1.919 1.00 0.00 O ATOM 0 H ASP A 27 8.424 -5.333 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 27 9.400 -6.564 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.372 -4.598 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.987 -5.831 -0.362 1.00 0.00 H new ATOM 372 N VAL A 28 10.851 -8.580 -1.774 1.00 0.00 N ATOM 373 CA VAL A 28 11.200 -9.945 -1.391 1.00 0.00 C ATOM 374 C VAL A 28 11.924 -9.974 -0.048 1.00 0.00 C ATOM 375 O VAL A 28 11.349 -10.357 0.972 1.00 0.00 O ATOM 376 CB VAL A 28 12.086 -10.620 -2.457 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.336 -12.079 -2.102 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.449 -10.501 -3.833 1.00 0.00 C ATOM 0 H VAL A 28 11.494 -8.150 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 28 10.264 -10.497 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 28 13.047 -10.107 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.963 -12.537 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.839 -12.138 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.385 -12.608 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.088 -10.983 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.473 -10.986 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.329 -9.448 -4.088 1.00 0.00 H new ATOM 388 N LEU A 29 13.189 -9.563 -0.056 1.00 0.00 N ATOM 389 CA LEU A 29 13.996 -9.537 1.163 1.00 0.00 C ATOM 390 C LEU A 29 14.402 -8.110 1.499 1.00 0.00 C ATOM 391 O LEU A 29 14.489 -7.738 2.670 1.00 0.00 O ATOM 392 CB LEU A 29 15.244 -10.414 1.009 1.00 0.00 C ATOM 393 CG LEU A 29 14.984 -11.921 0.904 1.00 0.00 C ATOM 394 CD1 LEU A 29 16.257 -12.657 0.526 1.00 0.00 C ATOM 395 CD2 LEU A 29 14.428 -12.468 2.213 1.00 0.00 C ATOM 0 H LEU A 29 13.678 -9.243 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 29 13.391 -9.935 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.784 -10.093 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.900 -10.235 1.861 1.00 0.00 H new ATOM 0 HG LEU A 29 14.242 -12.082 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.053 -13.725 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.616 -12.293 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.018 -12.482 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.252 -13.539 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.145 -12.291 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.489 -11.966 2.448 1.00 0.00 H new ATOM 407 N GLY A 30 14.651 -7.314 0.465 1.00 0.00 N ATOM 408 CA GLY A 30 15.022 -5.929 0.672 1.00 0.00 C ATOM 409 C GLY A 30 13.806 -5.068 0.947 1.00 0.00 C ATOM 410 O GLY A 30 13.722 -3.929 0.488 1.00 0.00 O ATOM 0 H GLY A 30 14.602 -7.604 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.717 -5.858 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.544 -5.555 -0.209 1.00 0.00 H new ATOM 414 N VAL A 31 12.860 -5.628 1.696 1.00 0.00 N ATOM 415 CA VAL A 31 11.630 -4.931 2.038 1.00 0.00 C ATOM 416 C VAL A 31 11.912 -3.556 2.635 1.00 0.00 C ATOM 417 O VAL A 31 12.885 -3.365 3.364 1.00 0.00 O ATOM 418 CB VAL A 31 10.777 -5.752 3.024 1.00 0.00 C ATOM 419 CG1 VAL A 31 11.539 -5.983 4.316 1.00 0.00 C ATOM 420 CG2 VAL A 31 9.449 -5.061 3.293 1.00 0.00 C ATOM 0 H VAL A 31 12.926 -6.571 2.079 1.00 0.00 H new ATOM 0 HA VAL A 31 11.074 -4.802 1.109 1.00 0.00 H new ATOM 0 HB VAL A 31 10.565 -6.722 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.923 -6.564 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.459 -6.528 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.783 -5.023 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.863 -5.658 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.632 -4.076 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.899 -4.953 2.358 1.00 0.00 H new ATOM 430 N ALA A 32 11.034 -2.616 2.314 1.00 0.00 N ATOM 431 CA ALA A 32 11.139 -1.236 2.780 1.00 0.00 C ATOM 432 C ALA A 32 10.029 -0.403 2.157 1.00 0.00 C ATOM 433 O ALA A 32 9.400 0.421 2.819 1.00 0.00 O ATOM 434 CB ALA A 32 12.498 -0.649 2.423 1.00 0.00 C ATOM 0 H ALA A 32 10.223 -2.788 1.720 1.00 0.00 H new ATOM 0 HA ALA A 32 11.037 -1.223 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.555 0.380 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.284 -1.240 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.629 -0.666 1.341 1.00 0.00 H new ATOM 440 N ASP A 33 9.801 -0.636 0.868 1.00 0.00 N ATOM 441 CA ASP A 33 8.765 0.065 0.123 1.00 0.00 C ATOM 442 C ASP A 33 7.911 -0.940 -0.652 1.00 0.00 C ATOM 443 O ASP A 33 8.403 -1.997 -1.045 1.00 0.00 O ATOM 444 CB ASP A 33 9.397 1.068 -0.845 1.00 0.00 C ATOM 445 CG ASP A 33 10.308 2.055 -0.141 1.00 0.00 C ATOM 446 OD1 ASP A 33 9.799 3.074 0.371 1.00 0.00 O ATOM 447 OD2 ASP A 33 11.531 1.809 -0.103 1.00 0.00 O ATOM 0 H ASP A 33 10.327 -1.312 0.315 1.00 0.00 H new ATOM 0 HA ASP A 33 8.131 0.606 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.966 0.529 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.609 1.612 -1.366 1.00 0.00 H new ATOM 452 N LEU A 34 6.635 -0.618 -0.873 1.00 0.00 N ATOM 453 CA LEU A 34 5.747 -1.521 -1.605 1.00 0.00 C ATOM 454 C LEU A 34 5.076 -0.788 -2.762 1.00 0.00 C ATOM 455 O LEU A 34 4.541 0.307 -2.591 1.00 0.00 O ATOM 456 CB LEU A 34 4.665 -2.134 -0.701 1.00 0.00 C ATOM 457 CG LEU A 34 4.789 -1.870 0.800 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.533 -2.344 1.522 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.016 -2.577 1.362 1.00 0.00 C ATOM 0 H LEU A 34 6.198 0.249 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 34 6.369 -2.331 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.695 -1.762 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.663 -3.213 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 34 4.902 -0.797 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.633 -2.151 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.667 -1.807 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.400 -3.413 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.091 -2.380 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.925 -3.650 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.910 -2.207 0.861 1.00 0.00 H new ATOM 471 N ASP A 35 5.112 -1.402 -3.937 1.00 0.00 N ATOM 472 CA ASP A 35 4.500 -0.822 -5.126 1.00 0.00 C ATOM 473 C ASP A 35 2.980 -0.833 -5.008 1.00 0.00 C ATOM 474 O ASP A 35 2.338 -1.865 -5.203 1.00 0.00 O ATOM 475 CB ASP A 35 4.934 -1.595 -6.372 1.00 0.00 C ATOM 476 CG ASP A 35 6.443 -1.652 -6.520 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.012 -0.745 -7.164 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.055 -2.605 -5.995 1.00 0.00 O ATOM 0 H ASP A 35 5.560 -2.305 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 35 4.833 0.212 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.538 -2.609 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.502 -1.126 -7.256 1.00 0.00 H new ATOM 483 N CYS A 36 2.412 0.326 -4.690 1.00 0.00 N ATOM 484 CA CYS A 36 0.968 0.454 -4.536 1.00 0.00 C ATOM 485 C CYS A 36 0.341 1.134 -5.749 1.00 0.00 C ATOM 486 O CYS A 36 0.542 2.328 -5.975 1.00 0.00 O ATOM 487 CB CYS A 36 0.651 1.249 -3.267 1.00 0.00 C ATOM 488 SG CYS A 36 1.544 0.667 -1.792 1.00 0.00 S ATOM 0 H CYS A 36 2.931 1.190 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 36 0.543 -0.547 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.894 2.298 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.421 1.197 -3.075 1.00 0.00 H new ATOM 493 N ALA A 37 -0.421 0.368 -6.528 1.00 0.00 N ATOM 494 CA ALA A 37 -1.080 0.902 -7.714 1.00 0.00 C ATOM 495 C ALA A 37 -2.578 1.057 -7.480 1.00 0.00 C ATOM 496 O ALA A 37 -3.246 0.123 -7.037 1.00 0.00 O ATOM 497 CB ALA A 37 -0.824 0.006 -8.915 1.00 0.00 C ATOM 0 H ALA A 37 -0.596 -0.622 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.662 1.888 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.323 0.420 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.248 -0.053 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.213 -0.992 -8.714 1.00 0.00 H new ATOM 503 N ASN A 38 -3.097 2.239 -7.787 1.00 0.00 N ATOM 504 CA ASN A 38 -4.518 2.522 -7.603 1.00 0.00 C ATOM 505 C ASN A 38 -5.370 1.722 -8.591 1.00 0.00 C ATOM 506 O ASN A 38 -5.296 1.946 -9.798 1.00 0.00 O ATOM 507 CB ASN A 38 -4.783 4.025 -7.766 1.00 0.00 C ATOM 508 CG ASN A 38 -6.250 4.366 -7.992 1.00 0.00 C ATOM 509 OD1 ASN A 38 -7.157 3.523 -7.502 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.566 5.382 -8.611 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.557 3.018 -8.164 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.798 2.220 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.431 4.546 -6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.198 4.399 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.843 6.005 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.551 5.601 -8.763 1.00 0.00 H new ATOM 517 N PRO A 39 -6.193 0.775 -8.090 1.00 0.00 N ATOM 518 CA PRO A 39 -7.056 -0.046 -8.938 1.00 0.00 C ATOM 519 C PRO A 39 -8.341 0.678 -9.340 1.00 0.00 C ATOM 520 O PRO A 39 -9.234 0.862 -8.513 1.00 0.00 O ATOM 521 CB PRO A 39 -7.386 -1.237 -8.041 1.00 0.00 C ATOM 522 CG PRO A 39 -7.354 -0.687 -6.658 1.00 0.00 C ATOM 523 CD PRO A 39 -6.336 0.424 -6.662 1.00 0.00 C ATOM 0 HA PRO A 39 -6.571 -0.311 -9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.365 -1.653 -8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.659 -2.040 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.335 -0.313 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.082 -1.460 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.674 1.277 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.388 0.098 -6.235 1.00 0.00 H new ATOM 531 N PRO A 40 -8.461 1.101 -10.613 1.00 0.00 N ATOM 532 CA PRO A 40 -9.659 1.795 -11.087 1.00 0.00 C ATOM 533 C PRO A 40 -10.850 0.853 -11.202 1.00 0.00 C ATOM 534 O PRO A 40 -10.906 0.018 -12.106 1.00 0.00 O ATOM 535 CB PRO A 40 -9.247 2.312 -12.466 1.00 0.00 C ATOM 536 CG PRO A 40 -8.189 1.368 -12.921 1.00 0.00 C ATOM 537 CD PRO A 40 -7.454 0.938 -11.681 1.00 0.00 C ATOM 0 HA PRO A 40 -9.978 2.583 -10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.092 2.322 -13.154 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.870 3.333 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.626 0.510 -13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.513 1.851 -13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.110 -0.094 -11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.574 1.555 -11.501 1.00 0.00 H new ATOM 545 N ALA A 41 -11.806 1.009 -10.289 1.00 0.00 N ATOM 546 CA ALA A 41 -13.005 0.177 -10.266 1.00 0.00 C ATOM 547 C ALA A 41 -13.873 0.519 -9.061 1.00 0.00 C ATOM 548 O ALA A 41 -13.483 1.319 -8.210 1.00 0.00 O ATOM 549 CB ALA A 41 -12.634 -1.300 -10.233 1.00 0.00 C ATOM 0 H ALA A 41 -11.772 1.711 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.571 0.377 -11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.542 -1.903 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.050 -1.548 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.044 -1.507 -9.340 1.00 0.00 H new ATOM 555 N THR A 42 -15.051 -0.091 -8.997 1.00 0.00 N ATOM 556 CA THR A 42 -15.973 0.141 -7.894 1.00 0.00 C ATOM 557 C THR A 42 -15.883 -0.975 -6.857 1.00 0.00 C ATOM 558 O THR A 42 -16.501 -2.029 -7.006 1.00 0.00 O ATOM 559 CB THR A 42 -17.425 0.263 -8.397 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.333 0.243 -7.289 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.768 -0.860 -9.365 1.00 0.00 C ATOM 0 H THR A 42 -15.389 -0.751 -9.697 1.00 0.00 H new ATOM 0 HA THR A 42 -15.683 1.082 -7.425 1.00 0.00 H new ATOM 0 HB THR A 42 -17.519 1.211 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.253 0.323 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.798 -0.747 -9.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.098 -0.817 -10.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.654 -1.821 -8.863 1.00 0.00 H new ATOM 569 N LEU A 43 -15.102 -0.737 -5.804 1.00 0.00 N ATOM 570 CA LEU A 43 -14.931 -1.719 -4.740 1.00 0.00 C ATOM 571 C LEU A 43 -16.278 -2.035 -4.092 1.00 0.00 C ATOM 572 O LEU A 43 -16.726 -1.325 -3.190 1.00 0.00 O ATOM 573 CB LEU A 43 -13.945 -1.194 -3.684 1.00 0.00 C ATOM 574 CG LEU A 43 -12.724 -0.451 -4.241 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.948 0.218 -3.116 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.816 -1.399 -5.009 1.00 0.00 C ATOM 0 H LEU A 43 -14.579 0.128 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.526 -2.634 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.481 -0.525 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.596 -2.036 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.081 0.317 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.085 0.740 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.593 0.932 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.609 -0.538 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.958 -0.849 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.471 -2.191 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.368 -1.838 -5.840 1.00 0.00 H new ATOM 588 N ALA A 44 -16.918 -3.104 -4.565 1.00 0.00 N ATOM 589 CA ALA A 44 -18.219 -3.522 -4.049 1.00 0.00 C ATOM 590 C ALA A 44 -18.212 -3.606 -2.527 1.00 0.00 C ATOM 591 O ALA A 44 -19.155 -3.168 -1.866 1.00 0.00 O ATOM 592 CB ALA A 44 -18.617 -4.860 -4.651 1.00 0.00 C ATOM 0 H ALA A 44 -16.553 -3.699 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.953 -2.770 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.588 -5.161 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.676 -4.768 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.872 -5.612 -4.391 1.00 0.00 H new ATOM 598 N ASN A 45 -17.147 -4.177 -1.979 1.00 0.00 N ATOM 599 CA ASN A 45 -17.007 -4.316 -0.535 1.00 0.00 C ATOM 600 C ASN A 45 -15.553 -4.589 -0.165 1.00 0.00 C ATOM 601 O ASN A 45 -14.654 -4.399 -0.983 1.00 0.00 O ATOM 602 CB ASN A 45 -17.926 -5.428 -0.008 1.00 0.00 C ATOM 603 CG ASN A 45 -17.865 -6.697 -0.838 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.665 -7.087 -1.246 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.889 -7.329 -1.096 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.365 -4.553 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.307 -3.379 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.651 -5.661 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.953 -5.063 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.793 -6.994 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.834 -8.188 -1.643 1.00 0.00 H new ATOM 612 N ALA A 46 -15.320 -5.032 1.066 1.00 0.00 N ATOM 613 CA ALA A 46 -13.966 -5.311 1.526 1.00 0.00 C ATOM 614 C ALA A 46 -13.418 -6.596 0.916 1.00 0.00 C ATOM 615 O ALA A 46 -12.331 -6.603 0.344 1.00 0.00 O ATOM 616 CB ALA A 46 -13.932 -5.384 3.044 1.00 0.00 C ATOM 0 H ALA A 46 -16.048 -5.205 1.759 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.326 -4.493 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.915 -5.593 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.261 -4.433 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.595 -6.179 3.385 1.00 0.00 H new ATOM 622 N THR A 47 -14.170 -7.679 1.047 1.00 0.00 N ATOM 623 CA THR A 47 -13.755 -8.968 0.506 1.00 0.00 C ATOM 624 C THR A 47 -13.468 -8.873 -0.993 1.00 0.00 C ATOM 625 O THR A 47 -12.791 -9.731 -1.561 1.00 0.00 O ATOM 626 CB THR A 47 -14.828 -10.047 0.747 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.206 -10.061 2.129 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.316 -11.423 0.347 1.00 0.00 C ATOM 0 H THR A 47 -15.072 -7.692 1.523 1.00 0.00 H new ATOM 0 HA THR A 47 -12.841 -9.251 1.028 1.00 0.00 H new ATOM 0 HB THR A 47 -15.695 -9.806 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.890 -10.748 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.092 -12.167 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.054 -11.420 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.434 -11.669 0.938 1.00 0.00 H new ATOM 636 N HIS A 48 -13.981 -7.822 -1.627 1.00 0.00 N ATOM 637 CA HIS A 48 -13.799 -7.632 -3.061 1.00 0.00 C ATOM 638 C HIS A 48 -12.399 -7.134 -3.394 1.00 0.00 C ATOM 639 O HIS A 48 -11.689 -7.767 -4.178 1.00 0.00 O ATOM 640 CB HIS A 48 -14.847 -6.662 -3.614 1.00 0.00 C ATOM 641 CG HIS A 48 -14.786 -6.500 -5.102 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.584 -7.218 -5.968 1.00 0.00 N ATOM 643 CD2 HIS A 48 -14.019 -5.697 -5.880 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.310 -6.866 -7.212 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.366 -5.944 -7.186 1.00 0.00 N ATOM 0 H HIS A 48 -14.525 -7.090 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.928 -8.605 -3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.840 -7.015 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.712 -5.688 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.274 -4.994 -5.537 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.779 -7.265 -8.099 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.960 -5.489 -8.003 1.00 0.00 H new ATOM 654 N PHE A 49 -11.989 -6.008 -2.811 1.00 0.00 N ATOM 655 CA PHE A 49 -10.662 -5.482 -3.099 1.00 0.00 C ATOM 656 C PHE A 49 -9.614 -6.244 -2.300 1.00 0.00 C ATOM 657 O PHE A 49 -8.425 -6.197 -2.611 1.00 0.00 O ATOM 658 CB PHE A 49 -10.578 -3.962 -2.892 1.00 0.00 C ATOM 659 CG PHE A 49 -10.421 -3.484 -1.478 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.236 -3.955 -0.466 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.466 -2.529 -1.176 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.095 -3.483 0.826 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.320 -2.056 0.110 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.136 -2.533 1.112 1.00 0.00 C ATOM 0 H PHE A 49 -12.542 -5.457 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.454 -5.640 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.737 -3.585 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.480 -3.511 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.989 -4.697 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.826 -2.149 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.735 -3.858 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.568 -1.313 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.025 -2.164 2.121 1.00 0.00 H new ATOM 674 N GLU A 50 -10.063 -6.943 -1.260 1.00 0.00 N ATOM 675 CA GLU A 50 -9.164 -7.760 -0.458 1.00 0.00 C ATOM 676 C GLU A 50 -8.670 -8.939 -1.290 1.00 0.00 C ATOM 677 O GLU A 50 -7.506 -9.331 -1.202 1.00 0.00 O ATOM 678 CB GLU A 50 -9.867 -8.275 0.800 1.00 0.00 C ATOM 679 CG GLU A 50 -9.717 -7.364 2.007 1.00 0.00 C ATOM 680 CD GLU A 50 -10.322 -7.960 3.263 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.528 -7.746 3.501 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.587 -8.642 4.009 1.00 0.00 O ATOM 0 H GLU A 50 -11.037 -6.959 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.319 -7.145 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.928 -8.404 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.470 -9.259 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.659 -7.163 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.194 -6.407 1.797 1.00 0.00 H new ATOM 689 N SER A 51 -9.568 -9.503 -2.102 1.00 0.00 N ATOM 690 CA SER A 51 -9.229 -10.631 -2.959 1.00 0.00 C ATOM 691 C SER A 51 -8.604 -10.160 -4.270 1.00 0.00 C ATOM 692 O SER A 51 -7.740 -10.834 -4.830 1.00 0.00 O ATOM 693 CB SER A 51 -10.476 -11.466 -3.253 1.00 0.00 C ATOM 694 OG SER A 51 -11.055 -11.960 -2.057 1.00 0.00 O ATOM 0 H SER A 51 -10.536 -9.193 -2.180 1.00 0.00 H new ATOM 0 HA SER A 51 -8.499 -11.244 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.205 -10.859 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.214 -12.299 -3.905 1.00 0.00 H new ATOM 0 HG SER A 51 -11.692 -11.303 -1.707 1.00 0.00 H new ATOM 700 N THR A 52 -9.045 -9.000 -4.757 1.00 0.00 N ATOM 701 CA THR A 52 -8.519 -8.450 -6.005 1.00 0.00 C ATOM 702 C THR A 52 -7.008 -8.262 -5.912 1.00 0.00 C ATOM 703 O THR A 52 -6.291 -8.400 -6.903 1.00 0.00 O ATOM 704 CB THR A 52 -9.195 -7.107 -6.375 1.00 0.00 C ATOM 705 OG1 THR A 52 -9.230 -6.960 -7.799 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.464 -5.915 -5.767 1.00 0.00 C ATOM 0 H THR A 52 -9.760 -8.427 -4.309 1.00 0.00 H new ATOM 0 HA THR A 52 -8.746 -9.167 -6.794 1.00 0.00 H new ATOM 0 HB THR A 52 -10.207 -7.126 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.660 -6.110 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.971 -4.993 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.460 -6.006 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.438 -5.892 -6.133 1.00 0.00 H new ATOM 714 N CYS A 53 -6.535 -7.947 -4.710 1.00 0.00 N ATOM 715 CA CYS A 53 -5.110 -7.752 -4.474 1.00 0.00 C ATOM 716 C CYS A 53 -4.437 -9.084 -4.158 1.00 0.00 C ATOM 717 O CYS A 53 -3.398 -9.417 -4.729 1.00 0.00 O ATOM 718 CB CYS A 53 -4.891 -6.765 -3.324 1.00 0.00 C ATOM 719 SG CYS A 53 -5.599 -5.111 -3.618 1.00 0.00 S ATOM 0 H CYS A 53 -7.120 -7.821 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.663 -7.340 -5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.328 -7.179 -2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.821 -6.664 -3.145 1.00 0.00 H new ATOM 724 N ALA A 54 -5.041 -9.844 -3.246 1.00 0.00 N ATOM 725 CA ALA A 54 -4.510 -11.145 -2.855 1.00 0.00 C ATOM 726 C ALA A 54 -4.433 -12.098 -4.045 1.00 0.00 C ATOM 727 O ALA A 54 -3.769 -13.132 -3.978 1.00 0.00 O ATOM 728 CB ALA A 54 -5.362 -11.750 -1.750 1.00 0.00 C ATOM 0 H ALA A 54 -5.900 -9.579 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.497 -10.994 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.955 -12.721 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.358 -11.088 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.385 -11.875 -2.106 1.00 0.00 H new ATOM 734 N ALA A 55 -5.118 -11.746 -5.130 1.00 0.00 N ATOM 735 CA ALA A 55 -5.120 -12.571 -6.335 1.00 0.00 C ATOM 736 C ALA A 55 -3.696 -12.862 -6.793 1.00 0.00 C ATOM 737 O ALA A 55 -3.349 -14.005 -7.091 1.00 0.00 O ATOM 738 CB ALA A 55 -5.899 -11.889 -7.449 1.00 0.00 C ATOM 0 H ALA A 55 -5.678 -10.896 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.607 -13.516 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.889 -12.519 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.929 -11.730 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.438 -10.928 -7.680 1.00 0.00 H new ATOM 744 N ILE A 56 -2.877 -11.817 -6.848 1.00 0.00 N ATOM 745 CA ILE A 56 -1.485 -11.956 -7.260 1.00 0.00 C ATOM 746 C ILE A 56 -0.588 -12.189 -6.049 1.00 0.00 C ATOM 747 O ILE A 56 0.627 -12.340 -6.182 1.00 0.00 O ATOM 748 CB ILE A 56 -0.993 -10.710 -8.024 1.00 0.00 C ATOM 749 CG1 ILE A 56 -1.363 -9.440 -7.255 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.586 -10.682 -9.425 1.00 0.00 C ATOM 751 CD1 ILE A 56 -0.621 -8.207 -7.723 1.00 0.00 C ATOM 0 H ILE A 56 -3.153 -10.864 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.431 -12.817 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 56 0.092 -10.756 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.435 -9.267 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.160 -9.595 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.230 -9.797 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.279 -11.576 -9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.674 -10.652 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.935 -7.347 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.451 -8.359 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.844 -8.026 -8.774 1.00 0.00 H new ATOM 763 N GLY A 57 -1.201 -12.217 -4.869 1.00 0.00 N ATOM 764 CA GLY A 57 -0.454 -12.433 -3.642 1.00 0.00 C ATOM 765 C GLY A 57 -0.199 -11.143 -2.885 1.00 0.00 C ATOM 766 O GLY A 57 0.806 -11.017 -2.184 1.00 0.00 O ATOM 0 H GLY A 57 -2.205 -12.093 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.003 -13.124 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.499 -12.907 -3.879 1.00 0.00 H new ATOM 770 N GLN A 58 -1.108 -10.182 -3.028 1.00 0.00 N ATOM 771 CA GLN A 58 -0.972 -8.892 -2.357 1.00 0.00 C ATOM 772 C GLN A 58 -2.040 -8.710 -1.281 1.00 0.00 C ATOM 773 O GLN A 58 -2.732 -9.660 -0.910 1.00 0.00 O ATOM 774 CB GLN A 58 -1.056 -7.749 -3.376 1.00 0.00 C ATOM 775 CG GLN A 58 0.271 -7.420 -4.046 1.00 0.00 C ATOM 776 CD GLN A 58 1.333 -8.468 -3.780 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.104 -8.360 -2.827 1.00 0.00 O ATOM 778 NE2 GLN A 58 1.368 -9.496 -4.613 1.00 0.00 N ATOM 0 H GLN A 58 -1.946 -10.272 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 58 0.005 -8.870 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.784 -8.013 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.430 -6.856 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.118 -7.328 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.624 -6.452 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.709 -9.545 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.053 -10.239 -4.478 1.00 0.00 H new ATOM 787 N ARG A 59 -2.163 -7.484 -0.778 1.00 0.00 N ATOM 788 CA ARG A 59 -3.148 -7.170 0.253 1.00 0.00 C ATOM 789 C ARG A 59 -3.690 -5.757 0.074 1.00 0.00 C ATOM 790 O ARG A 59 -3.017 -4.883 -0.475 1.00 0.00 O ATOM 791 CB ARG A 59 -2.530 -7.314 1.648 1.00 0.00 C ATOM 792 CG ARG A 59 -1.529 -6.224 1.992 1.00 0.00 C ATOM 793 CD ARG A 59 -0.205 -6.425 1.268 1.00 0.00 C ATOM 794 NE ARG A 59 0.428 -7.691 1.631 1.00 0.00 N ATOM 795 CZ ARG A 59 1.490 -8.190 1.007 1.00 0.00 C ATOM 796 NH1 ARG A 59 2.036 -7.537 -0.011 1.00 0.00 N ATOM 797 NH2 ARG A 59 2.009 -9.345 1.400 1.00 0.00 N ATOM 0 H ARG A 59 -1.592 -6.691 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.973 -7.876 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.328 -7.309 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.036 -8.283 1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.945 -5.252 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.357 -6.214 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.372 -6.398 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.468 -5.601 1.506 1.00 0.00 H new ATOM 0 HE ARG A 59 0.032 -8.222 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.641 -6.648 -0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.851 -7.924 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.593 -9.851 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.824 -9.727 0.921 1.00 0.00 H new ATOM 811 N ALA A 60 -4.911 -5.546 0.544 1.00 0.00 N ATOM 812 CA ALA A 60 -5.560 -4.243 0.449 1.00 0.00 C ATOM 813 C ALA A 60 -4.919 -3.250 1.416 1.00 0.00 C ATOM 814 O ALA A 60 -4.846 -3.502 2.618 1.00 0.00 O ATOM 815 CB ALA A 60 -7.049 -4.379 0.733 1.00 0.00 C ATOM 0 H ALA A 60 -5.476 -6.264 0.998 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.430 -3.863 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.524 -3.401 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.498 -5.056 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.193 -4.778 1.737 1.00 0.00 H new ATOM 821 N ARG A 61 -4.456 -2.121 0.884 1.00 0.00 N ATOM 822 CA ARG A 61 -3.808 -1.099 1.699 1.00 0.00 C ATOM 823 C ARG A 61 -4.343 0.294 1.373 1.00 0.00 C ATOM 824 O ARG A 61 -5.251 0.451 0.557 1.00 0.00 O ATOM 825 CB ARG A 61 -2.299 -1.124 1.455 1.00 0.00 C ATOM 826 CG ARG A 61 -1.676 -2.494 1.642 1.00 0.00 C ATOM 827 CD ARG A 61 -1.386 -2.779 3.101 1.00 0.00 C ATOM 828 NE ARG A 61 -0.129 -2.178 3.538 1.00 0.00 N ATOM 829 CZ ARG A 61 0.368 -2.315 4.763 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.296 -3.007 5.679 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.531 -1.755 5.072 1.00 0.00 N ATOM 0 H ARG A 61 -4.518 -1.892 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.024 -1.318 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.098 -0.778 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.818 -0.420 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.348 -3.257 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.752 -2.556 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.202 -2.397 3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.346 -3.857 3.259 1.00 0.00 H new ATOM 0 HE ARG A 61 0.398 -1.621 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.191 -3.436 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.088 -3.110 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.042 -1.220 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.914 -1.859 6.012 1.00 0.00 H new ATOM 845 N CYS A 62 -3.764 1.300 2.021 1.00 0.00 N ATOM 846 CA CYS A 62 -4.143 2.693 1.804 1.00 0.00 C ATOM 847 C CYS A 62 -2.924 3.592 2.010 1.00 0.00 C ATOM 848 O CYS A 62 -2.463 3.761 3.138 1.00 0.00 O ATOM 849 CB CYS A 62 -5.262 3.114 2.760 1.00 0.00 C ATOM 850 SG CYS A 62 -6.846 2.261 2.494 1.00 0.00 S ATOM 0 H CYS A 62 -3.022 1.174 2.709 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.510 2.795 0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.934 2.933 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.422 4.188 2.661 1.00 0.00 H new ATOM 855 N CYS A 63 -2.402 4.169 0.927 1.00 0.00 N ATOM 856 CA CYS A 63 -1.226 5.026 1.013 1.00 0.00 C ATOM 857 C CYS A 63 -1.470 6.355 0.321 1.00 0.00 C ATOM 858 O CYS A 63 -2.445 6.510 -0.414 1.00 0.00 O ATOM 859 CB CYS A 63 -0.033 4.333 0.364 1.00 0.00 C ATOM 860 SG CYS A 63 -0.213 2.530 0.221 1.00 0.00 S ATOM 0 H CYS A 63 -2.776 4.057 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.019 5.213 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.121 4.752 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.862 4.553 0.945 1.00 0.00 H new ATOM 865 N LYS A 64 -0.579 7.313 0.553 1.00 0.00 N ATOM 866 CA LYS A 64 -0.722 8.626 -0.076 1.00 0.00 C ATOM 867 C LYS A 64 -0.048 8.646 -1.445 1.00 0.00 C ATOM 868 O LYS A 64 0.904 7.905 -1.689 1.00 0.00 O ATOM 869 CB LYS A 64 -0.172 9.740 0.826 1.00 0.00 C ATOM 870 CG LYS A 64 1.089 10.431 0.306 1.00 0.00 C ATOM 871 CD LYS A 64 2.329 9.557 0.446 1.00 0.00 C ATOM 872 CE LYS A 64 2.750 9.414 1.898 1.00 0.00 C ATOM 873 NZ LYS A 64 4.074 8.736 2.033 1.00 0.00 N ATOM 0 H LYS A 64 0.235 7.212 1.159 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.786 8.814 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.949 10.492 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.042 9.319 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.950 10.694 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.241 11.363 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.130 8.571 0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.147 9.990 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.799 10.400 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.995 8.845 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.224 8.461 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.092 7.888 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.829 9.387 1.737 1.00 0.00 H new ATOM 887 N ASP A 65 -0.549 9.503 -2.330 1.00 0.00 N ATOM 888 CA ASP A 65 -0.002 9.618 -3.680 1.00 0.00 C ATOM 889 C ASP A 65 -0.725 10.700 -4.479 1.00 0.00 C ATOM 890 O ASP A 65 -0.092 11.523 -5.141 1.00 0.00 O ATOM 891 CB ASP A 65 -0.111 8.277 -4.412 1.00 0.00 C ATOM 892 CG ASP A 65 0.194 8.398 -5.893 1.00 0.00 C ATOM 893 OD1 ASP A 65 1.377 8.592 -6.243 1.00 0.00 O ATOM 894 OD2 ASP A 65 -0.751 8.302 -6.702 1.00 0.00 O ATOM 0 H ASP A 65 -1.332 10.128 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 65 1.048 9.899 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.577 7.563 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.117 7.877 -4.283 1.00 0.00 H new ATOM 899 N ASP A 66 -2.053 10.692 -4.411 1.00 0.00 N ATOM 900 CA ASP A 66 -2.862 11.666 -5.137 1.00 0.00 C ATOM 901 C ASP A 66 -3.259 12.829 -4.235 1.00 0.00 C ATOM 902 O ASP A 66 -4.286 13.473 -4.450 1.00 0.00 O ATOM 903 CB ASP A 66 -4.116 10.997 -5.705 1.00 0.00 C ATOM 904 CG ASP A 66 -4.972 10.371 -4.623 1.00 0.00 C ATOM 905 OD1 ASP A 66 -4.650 9.245 -4.190 1.00 0.00 O ATOM 906 OD2 ASP A 66 -5.964 11.006 -4.209 1.00 0.00 O ATOM 0 H ASP A 66 -2.591 10.023 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.261 12.057 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.705 11.736 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.823 10.231 -6.423 1.00 0.00 H new ATOM 911 N VAL A 67 -2.438 13.090 -3.227 1.00 0.00 N ATOM 912 CA VAL A 67 -2.704 14.172 -2.287 1.00 0.00 C ATOM 913 C VAL A 67 -2.312 15.525 -2.873 1.00 0.00 C ATOM 914 O VAL A 67 -2.687 16.572 -2.345 1.00 0.00 O ATOM 915 CB VAL A 67 -1.949 13.957 -0.962 1.00 0.00 C ATOM 916 CG1 VAL A 67 -2.348 12.631 -0.332 1.00 0.00 C ATOM 917 CG2 VAL A 67 -0.445 14.017 -1.184 1.00 0.00 C ATOM 0 H VAL A 67 -1.582 12.568 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.776 14.166 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.222 14.759 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.805 12.495 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.420 12.631 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.105 11.816 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.069 13.863 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.150 13.239 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.176 14.993 -1.588 1.00 0.00 H new ATOM 927 N THR A 68 -1.560 15.497 -3.970 1.00 0.00 N ATOM 928 CA THR A 68 -1.117 16.722 -4.622 1.00 0.00 C ATOM 929 C THR A 68 -1.421 16.699 -6.117 1.00 0.00 C ATOM 930 O THR A 68 -1.297 17.717 -6.799 1.00 0.00 O ATOM 931 CB THR A 68 0.393 16.953 -4.416 1.00 0.00 C ATOM 932 OG1 THR A 68 0.758 18.256 -4.887 1.00 0.00 O ATOM 933 CG2 THR A 68 1.215 15.899 -5.145 1.00 0.00 C ATOM 0 H THR A 68 -1.246 14.640 -4.424 1.00 0.00 H new ATOM 0 HA THR A 68 -1.669 17.540 -4.160 1.00 0.00 H new ATOM 0 HB THR A 68 0.603 16.877 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.273 18.452 -5.716 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.276 16.088 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.959 14.910 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.999 15.943 -6.212 1.00 0.00 H new ATOM 941 N ASN A 69 -1.823 15.536 -6.620 1.00 0.00 N ATOM 942 CA ASN A 69 -2.139 15.383 -8.036 1.00 0.00 C ATOM 943 C ASN A 69 -2.871 14.068 -8.288 1.00 0.00 C ATOM 944 O ASN A 69 -2.317 12.987 -8.083 1.00 0.00 O ATOM 945 CB ASN A 69 -0.859 15.443 -8.874 1.00 0.00 C ATOM 946 CG ASN A 69 -1.138 15.406 -10.364 1.00 0.00 C ATOM 947 OD1 ASN A 69 -1.169 14.340 -10.975 1.00 0.00 O ATOM 948 ND2 ASN A 69 -1.341 16.578 -10.957 1.00 0.00 N ATOM 0 H ASN A 69 -1.938 14.686 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.794 16.203 -8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.313 16.355 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.214 14.605 -8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.532 16.617 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.306 17.439 -10.411 1.00 0.00 H new ATOM 955 N THR A 70 -4.118 14.172 -8.735 1.00 0.00 N ATOM 956 CA THR A 70 -4.938 13.003 -9.014 1.00 0.00 C ATOM 957 C THR A 70 -4.351 12.164 -10.145 1.00 0.00 C ATOM 958 O THR A 70 -4.683 10.987 -10.291 1.00 0.00 O ATOM 959 CB THR A 70 -6.368 13.420 -9.391 1.00 0.00 C ATOM 960 OG1 THR A 70 -6.354 14.187 -10.601 1.00 0.00 O ATOM 961 CG2 THR A 70 -7.004 14.236 -8.275 1.00 0.00 C ATOM 0 H THR A 70 -4.584 15.062 -8.912 1.00 0.00 H new ATOM 0 HA THR A 70 -4.958 12.402 -8.105 1.00 0.00 H new ATOM 0 HB THR A 70 -6.958 12.516 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.270 14.447 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.016 14.520 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.041 13.639 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.412 15.134 -8.097 1.00 0.00 H new ATOM 969 N GLY A 71 -3.482 12.774 -10.945 1.00 0.00 N ATOM 970 CA GLY A 71 -2.868 12.065 -12.053 1.00 0.00 C ATOM 971 C GLY A 71 -1.825 11.061 -11.600 1.00 0.00 C ATOM 972 O GLY A 71 -1.426 10.184 -12.366 1.00 0.00 O ATOM 0 H GLY A 71 -3.192 13.747 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.641 11.548 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.404 12.785 -12.727 1.00 0.00 H new ATOM 976 N ASN A 72 -1.383 11.189 -10.352 1.00 0.00 N ATOM 977 CA ASN A 72 -0.380 10.285 -9.801 1.00 0.00 C ATOM 978 C ASN A 72 -0.923 8.859 -9.700 1.00 0.00 C ATOM 979 O ASN A 72 -1.936 8.620 -9.042 1.00 0.00 O ATOM 980 CB ASN A 72 0.071 10.768 -8.420 1.00 0.00 C ATOM 981 CG ASN A 72 0.781 12.106 -8.473 1.00 0.00 C ATOM 982 OD1 ASN A 72 1.485 12.364 -9.571 1.00 0.00 O flip ATOM 983 ND2 ASN A 72 0.703 12.900 -7.535 1.00 0.00 N flip ATOM 0 H ASN A 72 -1.703 11.909 -9.705 1.00 0.00 H new ATOM 0 HA ASN A 72 0.476 10.282 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.797 10.847 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.736 10.025 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.152 12.663 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.190 13.795 -7.583 1.00 0.00 H new ATOM 990 N SER A 73 -0.249 7.915 -10.357 1.00 0.00 N ATOM 991 CA SER A 73 -0.667 6.517 -10.330 1.00 0.00 C ATOM 992 C SER A 73 0.362 5.657 -9.600 1.00 0.00 C ATOM 993 O SER A 73 0.130 5.219 -8.473 1.00 0.00 O ATOM 994 CB SER A 73 -0.874 6.003 -11.756 1.00 0.00 C ATOM 995 OG SER A 73 0.307 6.142 -12.527 1.00 0.00 O ATOM 0 H SER A 73 0.587 8.094 -10.913 1.00 0.00 H new ATOM 0 HA SER A 73 -1.611 6.450 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.172 4.955 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.687 6.553 -12.229 1.00 0.00 H new ATOM 0 HG SER A 73 0.148 5.805 -13.433 1.00 0.00 H new ATOM 1001 N PHE A 74 1.499 5.419 -10.248 1.00 0.00 N ATOM 1002 CA PHE A 74 2.567 4.614 -9.647 1.00 0.00 C ATOM 1003 C PHE A 74 3.470 5.485 -8.780 1.00 0.00 C ATOM 1004 O PHE A 74 3.860 6.581 -9.185 1.00 0.00 O ATOM 1005 CB PHE A 74 3.411 3.909 -10.720 1.00 0.00 C ATOM 1006 CG PHE A 74 3.808 2.514 -10.334 1.00 0.00 C ATOM 1007 CD1 PHE A 74 4.682 2.303 -9.280 1.00 0.00 C ATOM 1008 CD2 PHE A 74 3.310 1.417 -11.017 1.00 0.00 C ATOM 1009 CE1 PHE A 74 5.053 1.025 -8.914 1.00 0.00 C ATOM 1010 CE2 PHE A 74 3.676 0.134 -10.657 1.00 0.00 C ATOM 1011 CZ PHE A 74 4.550 -0.063 -9.604 1.00 0.00 C ATOM 0 H PHE A 74 1.707 5.768 -11.184 1.00 0.00 H new ATOM 0 HA PHE A 74 2.092 3.854 -9.027 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.848 3.875 -11.653 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.309 4.496 -10.911 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.078 3.149 -8.738 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.628 1.566 -11.841 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.735 0.875 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.280 -0.713 -11.197 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.839 -1.064 -9.321 1.00 0.00 H new ATOM 1021 N LEU A 75 3.801 4.999 -7.584 1.00 0.00 N ATOM 1022 CA LEU A 75 4.657 5.752 -6.677 1.00 0.00 C ATOM 1023 C LEU A 75 5.544 4.833 -5.845 1.00 0.00 C ATOM 1024 O LEU A 75 5.245 3.653 -5.659 1.00 0.00 O ATOM 1025 CB LEU A 75 3.807 6.619 -5.743 1.00 0.00 C ATOM 1026 CG LEU A 75 4.574 7.709 -4.990 1.00 0.00 C ATOM 1027 CD1 LEU A 75 5.198 8.698 -5.964 1.00 0.00 C ATOM 1028 CD2 LEU A 75 3.656 8.430 -4.015 1.00 0.00 C ATOM 0 H LEU A 75 3.491 4.096 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 75 5.299 6.387 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.018 7.091 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.319 5.971 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 75 5.375 7.234 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.738 9.464 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.889 8.173 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.414 9.166 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.218 9.201 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.833 8.890 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.258 7.716 -3.294 1.00 0.00 H new ATOM 1040 N ILE A 76 6.638 5.398 -5.351 1.00 0.00 N ATOM 1041 CA ILE A 76 7.583 4.676 -4.514 1.00 0.00 C ATOM 1042 C ILE A 76 7.458 5.197 -3.090 1.00 0.00 C ATOM 1043 O ILE A 76 8.010 6.247 -2.761 1.00 0.00 O ATOM 1044 CB ILE A 76 9.035 4.881 -4.999 1.00 0.00 C ATOM 1045 CG1 ILE A 76 9.144 4.642 -6.511 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.990 3.971 -4.239 1.00 0.00 C ATOM 1047 CD1 ILE A 76 8.805 3.231 -6.939 1.00 0.00 C ATOM 0 H ILE A 76 6.894 6.371 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 76 7.355 3.611 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 76 9.317 5.915 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.480 5.336 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.159 4.874 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 76 11.007 4.131 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.939 4.198 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.708 2.931 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.906 3.145 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.485 2.530 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.779 3.000 -6.651 1.00 0.00 H new ATOM 1059 N ILE A 77 6.735 4.472 -2.243 1.00 0.00 N ATOM 1060 CA ILE A 77 6.519 4.930 -0.876 1.00 0.00 C ATOM 1061 C ILE A 77 6.917 3.902 0.168 1.00 0.00 C ATOM 1062 O ILE A 77 7.027 2.709 -0.113 1.00 0.00 O ATOM 1063 CB ILE A 77 5.051 5.326 -0.652 1.00 0.00 C ATOM 1064 CG1 ILE A 77 4.121 4.301 -1.330 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.805 6.746 -1.155 1.00 0.00 C ATOM 1066 CD1 ILE A 77 3.095 4.900 -2.272 1.00 0.00 C ATOM 0 H ILE A 77 6.296 3.581 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 77 7.165 5.799 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 77 4.829 5.317 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.732 3.589 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.599 3.738 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.761 7.015 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.448 7.440 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.030 6.799 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.487 4.104 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.455 5.589 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.605 5.438 -3.071 1.00 0.00 H new ATOM 1078 N ASN A 78 7.115 4.395 1.384 1.00 0.00 N ATOM 1079 CA ASN A 78 7.504 3.566 2.512 1.00 0.00 C ATOM 1080 C ASN A 78 6.321 2.748 3.017 1.00 0.00 C ATOM 1081 O ASN A 78 5.165 3.137 2.843 1.00 0.00 O ATOM 1082 CB ASN A 78 8.043 4.457 3.633 1.00 0.00 C ATOM 1083 CG ASN A 78 8.863 3.684 4.648 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.420 2.630 4.340 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.951 4.208 5.864 1.00 0.00 N ATOM 0 H ASN A 78 7.010 5.383 1.614 1.00 0.00 H new ATOM 0 HA ASN A 78 8.281 2.873 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.657 5.247 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.209 4.943 4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.496 3.735 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.474 5.084 6.078 1.00 0.00 H new ATOM 1092 N ALA A 79 6.618 1.614 3.644 1.00 0.00 N ATOM 1093 CA ALA A 79 5.581 0.739 4.178 1.00 0.00 C ATOM 1094 C ALA A 79 4.783 1.437 5.273 1.00 0.00 C ATOM 1095 O ALA A 79 3.731 0.952 5.691 1.00 0.00 O ATOM 1096 CB ALA A 79 6.195 -0.547 4.707 1.00 0.00 C ATOM 0 H ALA A 79 7.570 1.279 3.795 1.00 0.00 H new ATOM 0 HA ALA A 79 4.896 0.493 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.409 -1.190 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.713 -1.063 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.905 -0.312 5.500 1.00 0.00 H new ATOM 1102 N ALA A 80 5.291 2.574 5.739 1.00 0.00 N ATOM 1103 CA ALA A 80 4.620 3.339 6.781 1.00 0.00 C ATOM 1104 C ALA A 80 3.494 4.179 6.194 1.00 0.00 C ATOM 1105 O ALA A 80 2.536 4.523 6.888 1.00 0.00 O ATOM 1106 CB ALA A 80 5.612 4.228 7.514 1.00 0.00 C ATOM 0 H ALA A 80 6.165 2.985 5.411 1.00 0.00 H new ATOM 0 HA ALA A 80 4.190 2.635 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.092 4.792 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.385 3.611 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.071 4.920 6.808 1.00 0.00 H new ATOM 1112 N ASN A 81 3.612 4.506 4.910 1.00 0.00 N ATOM 1113 CA ASN A 81 2.597 5.304 4.235 1.00 0.00 C ATOM 1114 C ASN A 81 1.313 4.509 4.065 1.00 0.00 C ATOM 1115 O ASN A 81 0.225 5.076 3.991 1.00 0.00 O ATOM 1116 CB ASN A 81 3.081 5.781 2.859 1.00 0.00 C ATOM 1117 CG ASN A 81 1.979 6.437 2.069 1.00 0.00 C ATOM 1118 OD1 ASN A 81 1.045 6.995 2.642 1.00 0.00 O ATOM 1119 ND2 ASN A 81 2.091 6.390 0.746 1.00 0.00 N ATOM 0 H ASN A 81 4.397 4.231 4.320 1.00 0.00 H new ATOM 0 HA ASN A 81 2.405 6.176 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.903 6.485 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.473 4.932 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.383 6.829 0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.885 5.914 0.318 1.00 0.00 H new ATOM 1126 N CYS A 82 1.439 3.194 4.014 1.00 0.00 N ATOM 1127 CA CYS A 82 0.277 2.346 3.827 1.00 0.00 C ATOM 1128 C CYS A 82 -0.172 1.711 5.143 1.00 0.00 C ATOM 1129 O CYS A 82 0.397 0.714 5.585 1.00 0.00 O ATOM 1130 CB CYS A 82 0.592 1.236 2.822 1.00 0.00 C ATOM 1131 SG CYS A 82 1.357 1.820 1.280 1.00 0.00 S ATOM 0 H CYS A 82 2.325 2.695 4.099 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.530 2.975 3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.258 0.513 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.331 0.709 2.579 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.191 2.291 5.761 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.731 1.759 7.008 1.00 0.00 C ATOM 1138 C GLN A 83 -2.985 0.932 6.733 1.00 0.00 C ATOM 1139 O GLN A 83 -3.876 1.362 6.001 1.00 0.00 O ATOM 1140 CB GLN A 83 -2.050 2.898 7.985 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.870 3.296 8.856 1.00 0.00 C ATOM 1142 CD GLN A 83 -1.232 4.345 9.889 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -2.110 5.177 9.664 1.00 0.00 O ATOM 1144 NE2 GLN A 83 -0.555 4.309 11.031 1.00 0.00 N ATOM 0 H GLN A 83 -1.662 3.130 5.421 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.979 1.114 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.384 3.768 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.879 2.596 8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.483 2.412 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.069 3.677 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.165 3.601 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.755 4.989 11.764 1.00 0.00 H new ATOM 1153 N THR A 84 -3.036 -0.260 7.326 1.00 0.00 N ATOM 1154 CA THR A 84 -4.164 -1.173 7.150 1.00 0.00 C ATOM 1155 C THR A 84 -5.505 -0.450 7.282 1.00 0.00 C ATOM 1156 O THR A 84 -5.719 0.297 8.237 1.00 0.00 O ATOM 1157 CB THR A 84 -4.113 -2.317 8.180 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.757 -2.569 8.566 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.718 -3.587 7.603 1.00 0.00 C ATOM 0 H THR A 84 -2.302 -0.618 7.938 1.00 0.00 H new ATOM 0 HA THR A 84 -4.081 -1.581 6.143 1.00 0.00 H new ATOM 0 HB THR A 84 -4.691 -2.016 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.733 -3.296 9.222 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.672 -4.382 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.758 -3.404 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.159 -3.886 6.717 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.434 -0.663 6.323 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.756 -0.021 6.346 1.00 0.00 C ATOM 1169 C PRO A 85 -8.591 -0.438 7.551 1.00 0.00 C ATOM 1170 O PRO A 85 -8.377 -1.503 8.132 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.421 -0.507 5.052 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.685 -1.747 4.682 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.274 -1.537 5.142 1.00 0.00 C ATOM 0 HA PRO A 85 -7.670 1.063 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.481 -0.708 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.349 0.244 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.126 -2.621 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.724 -1.919 3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.790 -2.479 5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.664 -1.066 4.371 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.548 0.412 7.918 1.00 0.00 N ATOM 1182 CA ALA A 86 -10.426 0.141 9.050 1.00 0.00 C ATOM 1183 C ALA A 86 -11.358 -1.028 8.748 1.00 0.00 C ATOM 1184 O ALA A 86 -11.988 -1.071 7.691 1.00 0.00 O ATOM 1185 CB ALA A 86 -11.234 1.383 9.397 1.00 0.00 C ATOM 0 H ALA A 86 -9.734 1.296 7.445 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.807 -0.129 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.886 1.168 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.557 2.197 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.839 1.675 8.539 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.445 -1.972 9.681 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.304 -3.126 9.492 1.00 0.00 C ATOM 1193 C GLY A 87 -11.662 -4.205 8.636 1.00 0.00 C ATOM 1194 O GLY A 87 -12.350 -5.091 8.127 1.00 0.00 O ATOM 0 H GLY A 87 -10.935 -1.958 10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.560 -3.545 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.237 -2.807 9.027 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.344 -4.131 8.474 1.00 0.00 N ATOM 1199 CA LEU A 88 -9.609 -5.107 7.680 1.00 0.00 C ATOM 1200 C LEU A 88 -8.380 -5.610 8.428 1.00 0.00 C ATOM 1201 O LEU A 88 -8.483 -6.662 9.094 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.200 -4.507 6.344 1.00 0.00 C ATOM 1203 CG LEU A 88 -10.266 -4.578 5.272 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -11.149 -3.342 5.301 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -9.595 -4.741 3.941 1.00 0.00 C ATOM 1206 OXT LEU A 88 -7.325 -4.949 8.344 1.00 0.00 O ATOM 0 H LEU A 88 -9.762 -3.401 8.885 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.269 -5.956 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.926 -3.463 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.308 -5.022 5.987 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.916 -5.434 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.907 -3.418 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.636 -3.265 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.539 -2.455 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -10.350 -4.794 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.940 -3.889 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.006 -5.658 3.940 1.00 0.00 H new TER 1218 LEU A 88