USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -125:sc= -6.62! (180deg=-9.81!) USER MOD Set 1.2: I 8 MET CE :methyl 162:sc= -5.11 (180deg=-4.35!) USER MOD Set 2.1: C 69 SER OG : rot -54:sc= -1.26! USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.27) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.514 USER MOD Single : C 16 GLN : amide:sc= -7.98! C(o=-8!,f=-10!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.26) USER MOD Single : C 21 LYS NZ :NH3+ -121:sc= -0.0205 (180deg=-0.335) USER MOD Single : C 35 CYS SG : rot -76:sc= 0.745 USER MOD Single : C 37 SER OG : rot -49:sc= -2.82! USER MOD Single : C 38 THR OG1 : rot -71:sc= -0.201 USER MOD Single : C 39 LYS NZ :NH3+ -160:sc= -2.11! (180deg=-3.22!) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 161:sc= -7.01! (180deg=-8.62!) USER MOD Single : C 47 MET CE :methyl -158:sc= -2.59 (180deg=-3.99!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : C 51 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.9!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.174 USER MOD Single : C 58 GLN : amide:sc= -0.817 X(o=-0.82,f=-1.1) USER MOD Single : C 60 MET CE :methyl -126:sc= -0.56 (180deg=-0.864) USER MOD Single : C 80 MET CE :methyl 166:sc= 0 (180deg=-0.276) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -37:sc= 0.139 USER MOD Single : C 85 MET CE :methyl 162:sc= 0 (180deg=-0.414) USER MOD Single : I 3 SER OG : rot 36:sc= 0.832 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 57.924 -11.541 14.259 1.00 0.00 N ATOM 45 CA ILE C 4 56.466 -11.735 14.014 1.00 0.00 C ATOM 46 C ILE C 4 56.059 -11.093 12.685 1.00 0.00 C ATOM 47 O ILE C 4 54.923 -11.186 12.262 1.00 0.00 O ATOM 48 CB ILE C 4 55.776 -11.035 15.185 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.298 -11.432 15.219 1.00 0.00 C ATOM 50 CG2 ILE C 4 55.890 -9.518 15.015 1.00 0.00 C ATOM 51 CD1 ILE C 4 53.558 -10.559 16.235 1.00 0.00 C ATOM 0 HA ILE C 4 56.193 -12.788 13.949 1.00 0.00 H new ATOM 0 HB ILE C 4 56.256 -11.334 16.117 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.856 -11.312 14.230 1.00 0.00 H new ATOM 0 HG13 ILE C 4 54.199 -12.484 15.487 1.00 0.00 H new ATOM 0 HG21 ILE C 4 55.398 -9.020 15.850 1.00 0.00 H new ATOM 0 HG22 ILE C 4 56.942 -9.233 14.991 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.412 -9.219 14.082 1.00 0.00 H new ATOM 0 HD11 ILE C 4 52.506 -10.842 16.259 1.00 0.00 H new ATOM 0 HD12 ILE C 4 53.995 -10.701 17.223 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.646 -9.511 15.947 1.00 0.00 H new ATOM 63 N TYR C 5 56.975 -10.441 12.022 1.00 0.00 N ATOM 64 CA TYR C 5 56.637 -9.794 10.722 1.00 0.00 C ATOM 65 C TYR C 5 56.965 -10.739 9.562 1.00 0.00 C ATOM 66 O TYR C 5 56.163 -10.947 8.674 1.00 0.00 O ATOM 67 CB TYR C 5 57.509 -8.541 10.663 1.00 0.00 C ATOM 68 CG TYR C 5 57.046 -7.559 11.713 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.427 -7.731 13.049 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.235 -6.477 11.350 1.00 0.00 C ATOM 71 CE1 TYR C 5 56.998 -6.821 14.022 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.806 -5.567 12.323 1.00 0.00 C ATOM 73 CZ TYR C 5 56.187 -5.740 13.660 1.00 0.00 C ATOM 74 OH TYR C 5 55.764 -4.842 14.617 1.00 0.00 O ATOM 0 H TYR C 5 57.943 -10.328 12.324 1.00 0.00 H new ATOM 0 HA TYR C 5 55.577 -9.552 10.642 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.554 -8.803 10.830 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.448 -8.088 9.673 1.00 0.00 H new ATOM 0 HD1 TYR C 5 58.052 -8.566 13.329 1.00 0.00 H new ATOM 0 HD2 TYR C 5 55.941 -6.345 10.319 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.293 -6.953 15.052 1.00 0.00 H new ATOM 0 HE2 TYR C 5 55.181 -4.732 12.043 1.00 0.00 H new ATOM 0 HH TYR C 5 55.210 -4.152 14.196 1.00 0.00 H new ATOM 84 N LYS C 6 58.138 -11.314 9.562 1.00 0.00 N ATOM 85 CA LYS C 6 58.510 -12.245 8.457 1.00 0.00 C ATOM 86 C LYS C 6 57.366 -13.228 8.189 1.00 0.00 C ATOM 87 O LYS C 6 57.239 -13.766 7.107 1.00 0.00 O ATOM 88 CB LYS C 6 59.750 -12.987 8.959 1.00 0.00 C ATOM 89 CG LYS C 6 61.007 -12.279 8.452 1.00 0.00 C ATOM 90 CD LYS C 6 62.234 -13.150 8.731 1.00 0.00 C ATOM 91 CE LYS C 6 62.457 -14.111 7.560 1.00 0.00 C ATOM 92 NZ LYS C 6 63.229 -15.255 8.131 1.00 0.00 N ATOM 0 H LYS C 6 58.853 -11.180 10.277 1.00 0.00 H new ATOM 0 HA LYS C 6 58.704 -11.719 7.522 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.752 -13.019 10.049 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.735 -14.020 8.610 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.921 -12.085 7.383 1.00 0.00 H new ATOM 0 HG3 LYS C 6 61.115 -11.312 8.943 1.00 0.00 H new ATOM 0 HD2 LYS C 6 63.114 -12.522 8.872 1.00 0.00 H new ATOM 0 HD3 LYS C 6 62.092 -13.712 9.654 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.509 -14.447 7.141 1.00 0.00 H new ATOM 0 HE3 LYS C 6 63.009 -13.627 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.418 -15.954 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 64.130 -14.908 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.677 -15.702 8.891 1.00 0.00 H new ATOM 106 N ALA C 7 56.534 -13.464 9.166 1.00 0.00 N ATOM 107 CA ALA C 7 55.398 -14.410 8.965 1.00 0.00 C ATOM 108 C ALA C 7 54.266 -13.720 8.201 1.00 0.00 C ATOM 109 O ALA C 7 53.733 -14.251 7.246 1.00 0.00 O ATOM 110 CB ALA C 7 54.944 -14.790 10.375 1.00 0.00 C ATOM 0 H ALA C 7 56.591 -13.044 10.094 1.00 0.00 H new ATOM 0 HA ALA C 7 55.686 -15.285 8.382 1.00 0.00 H new ATOM 0 HB1 ALA C 7 54.108 -15.486 10.313 1.00 0.00 H new ATOM 0 HB2 ALA C 7 55.770 -15.261 10.908 1.00 0.00 H new ATOM 0 HB3 ALA C 7 54.631 -13.894 10.910 1.00 0.00 H new ATOM 116 N ALA C 8 53.896 -12.536 8.611 1.00 0.00 N ATOM 117 CA ALA C 8 52.800 -11.812 7.906 1.00 0.00 C ATOM 118 C ALA C 8 53.130 -11.678 6.417 1.00 0.00 C ATOM 119 O ALA C 8 52.254 -11.557 5.584 1.00 0.00 O ATOM 120 CB ALA C 8 52.743 -10.437 8.569 1.00 0.00 C ATOM 0 H ALA C 8 54.305 -12.040 9.403 1.00 0.00 H new ATOM 0 HA ALA C 8 51.847 -12.336 7.975 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.958 -9.841 8.104 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.529 -10.554 9.631 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.702 -9.933 8.445 1.00 0.00 H new ATOM 126 N VAL C 9 54.389 -11.700 6.077 1.00 0.00 N ATOM 127 CA VAL C 9 54.780 -11.577 4.643 1.00 0.00 C ATOM 128 C VAL C 9 54.318 -12.809 3.866 1.00 0.00 C ATOM 129 O VAL C 9 53.715 -12.707 2.816 1.00 0.00 O ATOM 130 CB VAL C 9 56.306 -11.498 4.653 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.808 -11.165 3.248 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.756 -10.408 5.627 1.00 0.00 C ATOM 0 H VAL C 9 55.166 -11.798 6.731 1.00 0.00 H new ATOM 0 HA VAL C 9 54.329 -10.707 4.165 1.00 0.00 H new ATOM 0 HB VAL C 9 56.716 -12.457 4.968 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.897 -11.108 3.254 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.489 -11.943 2.554 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.397 -10.206 2.932 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.845 -10.353 5.633 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.346 -9.448 5.314 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.399 -10.646 6.629 1.00 0.00 H new ATOM 142 N GLU C 10 54.602 -13.974 4.375 1.00 0.00 N ATOM 143 CA GLU C 10 54.184 -15.221 3.668 1.00 0.00 C ATOM 144 C GLU C 10 52.676 -15.203 3.406 1.00 0.00 C ATOM 145 O GLU C 10 52.186 -15.862 2.511 1.00 0.00 O ATOM 146 CB GLU C 10 54.548 -16.357 4.624 1.00 0.00 C ATOM 147 CG GLU C 10 55.006 -17.573 3.819 1.00 0.00 C ATOM 148 CD GLU C 10 54.930 -18.824 4.696 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.441 -18.780 5.804 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.361 -19.805 4.246 1.00 0.00 O ATOM 0 H GLU C 10 55.105 -14.119 5.250 1.00 0.00 H new ATOM 0 HA GLU C 10 54.672 -15.329 2.699 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.340 -16.037 5.302 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.687 -16.618 5.240 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.378 -17.696 2.937 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.026 -17.425 3.466 1.00 0.00 H new ATOM 157 N GLN C 11 51.937 -14.457 4.179 1.00 0.00 N ATOM 158 CA GLN C 11 50.460 -14.403 3.972 1.00 0.00 C ATOM 159 C GLN C 11 50.116 -13.466 2.811 1.00 0.00 C ATOM 160 O GLN C 11 49.020 -13.489 2.289 1.00 0.00 O ATOM 161 CB GLN C 11 49.898 -13.861 5.286 1.00 0.00 C ATOM 162 CG GLN C 11 50.522 -14.619 6.460 1.00 0.00 C ATOM 163 CD GLN C 11 49.415 -15.192 7.347 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.477 -15.791 6.858 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.485 -15.035 8.641 1.00 0.00 N ATOM 0 H GLN C 11 52.290 -13.883 4.944 1.00 0.00 H new ATOM 0 HA GLN C 11 50.044 -15.378 3.720 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.111 -12.796 5.373 1.00 0.00 H new ATOM 0 HB3 GLN C 11 48.814 -13.972 5.303 1.00 0.00 H new ATOM 0 HG2 GLN C 11 51.158 -15.423 6.090 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.158 -13.951 7.041 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.272 -14.533 9.052 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.753 -15.415 9.241 1.00 0.00 H new ATOM 174 N LEU C 12 51.041 -12.643 2.404 1.00 0.00 N ATOM 175 CA LEU C 12 50.759 -11.708 1.276 1.00 0.00 C ATOM 176 C LEU C 12 50.124 -12.465 0.108 1.00 0.00 C ATOM 177 O LEU C 12 50.046 -13.678 0.110 1.00 0.00 O ATOM 178 CB LEU C 12 52.123 -11.147 0.873 1.00 0.00 C ATOM 179 CG LEU C 12 52.411 -9.881 1.680 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.792 -9.340 1.307 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.349 -8.825 1.365 1.00 0.00 C ATOM 0 H LEU C 12 51.978 -12.576 2.801 1.00 0.00 H new ATOM 0 HA LEU C 12 50.062 -10.919 1.559 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.901 -11.890 1.051 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.135 -10.922 -0.193 1.00 0.00 H new ATOM 0 HG LEU C 12 52.389 -10.116 2.744 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.997 -8.437 1.883 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.549 -10.092 1.529 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.815 -9.105 0.243 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.553 -7.921 1.940 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.373 -8.591 0.301 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.364 -9.209 1.630 1.00 0.00 H new ATOM 193 N THR C 13 49.668 -11.759 -0.892 1.00 0.00 N ATOM 194 CA THR C 13 49.037 -12.440 -2.058 1.00 0.00 C ATOM 195 C THR C 13 49.822 -12.137 -3.337 1.00 0.00 C ATOM 196 O THR C 13 50.554 -11.170 -3.415 1.00 0.00 O ATOM 197 CB THR C 13 47.627 -11.856 -2.142 1.00 0.00 C ATOM 198 OG1 THR C 13 47.696 -10.440 -2.036 1.00 0.00 O ATOM 199 CG2 THR C 13 46.771 -12.414 -1.004 1.00 0.00 C ATOM 0 H THR C 13 49.705 -10.741 -0.951 1.00 0.00 H new ATOM 0 HA THR C 13 49.023 -13.524 -1.945 1.00 0.00 H new ATOM 0 HB THR C 13 47.177 -12.128 -3.097 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.793 -10.063 -2.091 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.766 -11.996 -1.066 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.718 -13.500 -1.087 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.218 -12.144 -0.047 1.00 0.00 H new ATOM 207 N GLU C 14 49.678 -12.959 -4.342 1.00 0.00 N ATOM 208 CA GLU C 14 50.417 -12.718 -5.614 1.00 0.00 C ATOM 209 C GLU C 14 50.176 -11.288 -6.107 1.00 0.00 C ATOM 210 O GLU C 14 51.095 -10.509 -6.258 1.00 0.00 O ATOM 211 CB GLU C 14 49.840 -13.732 -6.603 1.00 0.00 C ATOM 212 CG GLU C 14 50.837 -13.961 -7.741 1.00 0.00 C ATOM 213 CD GLU C 14 51.785 -15.101 -7.366 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.658 -14.872 -6.545 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.622 -16.183 -7.906 1.00 0.00 O ATOM 0 H GLU C 14 49.081 -13.786 -4.337 1.00 0.00 H new ATOM 0 HA GLU C 14 51.494 -12.832 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.630 -14.673 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU C 14 48.893 -13.368 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.306 -14.203 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.404 -13.050 -7.931 1.00 0.00 H new ATOM 222 N GLU C 15 48.943 -10.939 -6.359 1.00 0.00 N ATOM 223 CA GLU C 15 48.642 -9.560 -6.842 1.00 0.00 C ATOM 224 C GLU C 15 49.354 -8.523 -5.970 1.00 0.00 C ATOM 225 O GLU C 15 50.117 -7.710 -6.455 1.00 0.00 O ATOM 226 CB GLU C 15 47.124 -9.419 -6.713 1.00 0.00 C ATOM 227 CG GLU C 15 46.483 -9.517 -8.098 1.00 0.00 C ATOM 228 CD GLU C 15 44.960 -9.551 -7.954 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.485 -10.231 -7.060 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.296 -8.896 -8.740 1.00 0.00 O ATOM 0 H GLU C 15 48.132 -11.548 -6.252 1.00 0.00 H new ATOM 0 HA GLU C 15 48.982 -9.398 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.730 -10.199 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.875 -8.463 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.782 -8.666 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.831 -10.415 -8.609 1.00 0.00 H new ATOM 237 N GLN C 16 49.111 -8.542 -4.688 1.00 0.00 N ATOM 238 CA GLN C 16 49.775 -7.556 -3.787 1.00 0.00 C ATOM 239 C GLN C 16 51.292 -7.584 -3.994 1.00 0.00 C ATOM 240 O GLN C 16 51.928 -6.559 -4.131 1.00 0.00 O ATOM 241 CB GLN C 16 49.417 -8.012 -2.371 1.00 0.00 C ATOM 242 CG GLN C 16 50.264 -7.242 -1.356 1.00 0.00 C ATOM 243 CD GLN C 16 50.179 -5.742 -1.649 1.00 0.00 C ATOM 244 OE1 GLN C 16 50.915 -5.229 -2.468 1.00 0.00 O ATOM 245 NE2 GLN C 16 49.307 -5.013 -1.007 1.00 0.00 N ATOM 0 H GLN C 16 48.481 -9.197 -4.225 1.00 0.00 H new ATOM 0 HA GLN C 16 49.449 -6.534 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.358 -7.842 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.591 -9.083 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN C 16 49.912 -7.446 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.301 -7.574 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.689 -5.444 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN C 16 49.243 -4.012 -1.193 1.00 0.00 H new ATOM 254 N LYS C 17 51.877 -8.751 -4.019 1.00 0.00 N ATOM 255 CA LYS C 17 53.354 -8.842 -4.217 1.00 0.00 C ATOM 256 C LYS C 17 53.765 -8.083 -5.482 1.00 0.00 C ATOM 257 O LYS C 17 54.785 -7.424 -5.519 1.00 0.00 O ATOM 258 CB LYS C 17 53.642 -10.336 -4.372 1.00 0.00 C ATOM 259 CG LYS C 17 54.587 -10.794 -3.259 1.00 0.00 C ATOM 260 CD LYS C 17 53.786 -11.531 -2.184 1.00 0.00 C ATOM 261 CE LYS C 17 53.936 -13.041 -2.380 1.00 0.00 C ATOM 262 NZ LYS C 17 54.758 -13.498 -1.227 1.00 0.00 N ATOM 0 H LYS C 17 51.398 -9.645 -3.911 1.00 0.00 H new ATOM 0 HA LYS C 17 53.910 -8.404 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.712 -10.902 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.090 -10.531 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.357 -11.449 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.097 -9.935 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.139 -11.246 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS C 17 52.735 -11.249 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS C 17 52.965 -13.536 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.423 -13.270 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 54.905 -14.526 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.679 -13.015 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.266 -13.273 -0.339 1.00 0.00 H new ATOM 276 N ASN C 18 52.978 -8.172 -6.521 1.00 0.00 N ATOM 277 CA ASN C 18 53.323 -7.457 -7.784 1.00 0.00 C ATOM 278 C ASN C 18 53.141 -5.947 -7.605 1.00 0.00 C ATOM 279 O ASN C 18 53.604 -5.157 -8.403 1.00 0.00 O ATOM 280 CB ASN C 18 52.341 -7.999 -8.824 1.00 0.00 C ATOM 281 CG ASN C 18 52.547 -9.507 -8.982 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.665 -9.974 -9.062 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.506 -10.293 -9.033 1.00 0.00 N ATOM 0 H ASN C 18 52.111 -8.709 -6.550 1.00 0.00 H new ATOM 0 HA ASN C 18 54.360 -7.616 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.316 -7.791 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.494 -7.498 -9.780 1.00 0.00 H new ATOM 0 HD21 ASN C 18 51.632 -11.300 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.567 -9.901 -8.966 1.00 0.00 H new ATOM 290 N GLU C 19 52.472 -5.540 -6.562 1.00 0.00 N ATOM 291 CA GLU C 19 52.266 -4.082 -6.332 1.00 0.00 C ATOM 292 C GLU C 19 53.528 -3.464 -5.724 1.00 0.00 C ATOM 293 O GLU C 19 53.993 -2.429 -6.158 1.00 0.00 O ATOM 294 CB GLU C 19 51.098 -3.995 -5.351 1.00 0.00 C ATOM 295 CG GLU C 19 50.093 -2.951 -5.844 1.00 0.00 C ATOM 296 CD GLU C 19 50.427 -1.591 -5.229 1.00 0.00 C ATOM 297 OE1 GLU C 19 50.073 -1.379 -4.081 1.00 0.00 O ATOM 298 OE2 GLU C 19 51.032 -0.784 -5.917 1.00 0.00 O ATOM 0 H GLU C 19 52.059 -6.153 -5.859 1.00 0.00 H new ATOM 0 HA GLU C 19 52.059 -3.542 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.613 -4.967 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.462 -3.725 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.123 -2.887 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.081 -3.247 -5.570 1.00 0.00 H new ATOM 305 N PHE C 20 54.088 -4.094 -4.727 1.00 0.00 N ATOM 306 CA PHE C 20 55.323 -3.544 -4.099 1.00 0.00 C ATOM 307 C PHE C 20 56.493 -3.637 -5.080 1.00 0.00 C ATOM 308 O PHE C 20 57.316 -2.746 -5.169 1.00 0.00 O ATOM 309 CB PHE C 20 55.572 -4.428 -2.875 1.00 0.00 C ATOM 310 CG PHE C 20 54.440 -4.258 -1.889 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.060 -2.976 -1.473 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.773 -5.382 -1.389 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.012 -2.820 -0.558 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.725 -5.225 -0.474 1.00 0.00 C ATOM 315 CZ PHE C 20 52.345 -3.943 -0.058 1.00 0.00 C ATOM 0 H PHE C 20 53.744 -4.964 -4.321 1.00 0.00 H new ATOM 0 HA PHE C 20 55.220 -2.494 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.650 -5.472 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.519 -4.160 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.575 -2.108 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.067 -6.371 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.718 -1.831 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.210 -6.093 -0.089 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.537 -3.822 0.649 1.00 0.00 H new ATOM 325 N LYS C 21 56.572 -4.707 -5.822 1.00 0.00 N ATOM 326 CA LYS C 21 57.685 -4.857 -6.804 1.00 0.00 C ATOM 327 C LYS C 21 57.897 -3.544 -7.563 1.00 0.00 C ATOM 328 O LYS C 21 58.979 -3.256 -8.036 1.00 0.00 O ATOM 329 CB LYS C 21 57.225 -5.964 -7.754 1.00 0.00 C ATOM 330 CG LYS C 21 56.168 -5.414 -8.713 1.00 0.00 C ATOM 331 CD LYS C 21 56.856 -4.889 -9.973 1.00 0.00 C ATOM 332 CE LYS C 21 56.537 -5.814 -11.151 1.00 0.00 C ATOM 333 NZ LYS C 21 55.110 -5.534 -11.478 1.00 0.00 N ATOM 0 H LYS C 21 55.914 -5.485 -5.791 1.00 0.00 H new ATOM 0 HA LYS C 21 58.633 -5.102 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.075 -6.350 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.815 -6.798 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.454 -6.195 -8.973 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.604 -4.614 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS C 21 56.517 -3.876 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.934 -4.838 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS C 21 57.186 -5.609 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.684 -6.860 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 54.555 -6.409 -11.390 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 54.737 -4.820 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 55.041 -5.177 -12.452 1.00 0.00 H new ATOM 347 N ALA C 22 56.871 -2.747 -7.681 1.00 0.00 N ATOM 348 CA ALA C 22 57.010 -1.453 -8.408 1.00 0.00 C ATOM 349 C ALA C 22 57.887 -0.487 -7.606 1.00 0.00 C ATOM 350 O ALA C 22 58.941 -0.076 -8.049 1.00 0.00 O ATOM 351 CB ALA C 22 55.585 -0.913 -8.524 1.00 0.00 C ATOM 0 H ALA C 22 55.942 -2.936 -7.305 1.00 0.00 H new ATOM 0 HA ALA C 22 57.482 -1.574 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.599 0.042 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.971 -1.623 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.167 -0.772 -7.527 1.00 0.00 H new ATOM 357 N ALA C 23 57.456 -0.119 -6.431 1.00 0.00 N ATOM 358 CA ALA C 23 58.262 0.821 -5.601 1.00 0.00 C ATOM 359 C ALA C 23 59.721 0.358 -5.537 1.00 0.00 C ATOM 360 O ALA C 23 60.639 1.149 -5.625 1.00 0.00 O ATOM 361 CB ALA C 23 57.622 0.769 -4.213 1.00 0.00 C ATOM 0 H ALA C 23 56.580 -0.429 -6.009 1.00 0.00 H new ATOM 0 HA ALA C 23 58.269 1.831 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.159 1.436 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.580 1.083 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.669 -0.250 -3.828 1.00 0.00 H new ATOM 367 N PHE C 24 59.941 -0.918 -5.382 1.00 0.00 N ATOM 368 CA PHE C 24 61.340 -1.431 -5.311 1.00 0.00 C ATOM 369 C PHE C 24 62.097 -1.090 -6.597 1.00 0.00 C ATOM 370 O PHE C 24 63.261 -0.744 -6.569 1.00 0.00 O ATOM 371 CB PHE C 24 61.197 -2.947 -5.155 1.00 0.00 C ATOM 372 CG PHE C 24 62.521 -3.612 -5.443 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.673 -3.211 -4.755 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.596 -4.632 -6.398 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.900 -3.830 -5.024 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.823 -5.252 -6.666 1.00 0.00 C ATOM 377 CZ PHE C 24 64.975 -4.851 -5.979 1.00 0.00 C ATOM 0 H PHE C 24 59.214 -1.628 -5.301 1.00 0.00 H new ATOM 0 HA PHE C 24 61.902 -0.988 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.869 -3.190 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.434 -3.323 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE C 24 63.615 -2.425 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.708 -4.941 -6.929 1.00 0.00 H new ATOM 0 HE1 PHE C 24 65.789 -3.520 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.880 -6.040 -7.403 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.921 -5.329 -6.186 1.00 0.00 H new ATOM 387 N ASP C 25 61.446 -1.188 -7.724 1.00 0.00 N ATOM 388 CA ASP C 25 62.131 -0.872 -9.013 1.00 0.00 C ATOM 389 C ASP C 25 62.406 0.632 -9.119 1.00 0.00 C ATOM 390 O ASP C 25 63.409 1.052 -9.660 1.00 0.00 O ATOM 391 CB ASP C 25 61.152 -1.316 -10.101 1.00 0.00 C ATOM 392 CG ASP C 25 61.905 -2.103 -11.176 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.672 -2.979 -10.812 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.701 -1.816 -12.345 1.00 0.00 O ATOM 0 H ASP C 25 60.470 -1.473 -7.810 1.00 0.00 H new ATOM 0 HA ASP C 25 63.094 -1.374 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.366 -1.934 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.667 -0.447 -10.545 1.00 0.00 H new ATOM 399 N ILE C 26 61.519 1.444 -8.612 1.00 0.00 N ATOM 400 CA ILE C 26 61.727 2.919 -8.690 1.00 0.00 C ATOM 401 C ILE C 26 62.705 3.377 -7.603 1.00 0.00 C ATOM 402 O ILE C 26 63.495 4.279 -7.807 1.00 0.00 O ATOM 403 CB ILE C 26 60.342 3.521 -8.460 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.486 3.313 -9.711 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.474 5.018 -8.179 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.684 2.017 -9.571 1.00 0.00 C ATOM 0 H ILE C 26 60.660 1.151 -8.147 1.00 0.00 H new ATOM 0 HA ILE C 26 62.154 3.228 -9.644 1.00 0.00 H new ATOM 0 HB ILE C 26 59.871 3.033 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.811 4.158 -9.847 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.121 3.266 -10.596 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.485 5.446 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.086 5.169 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.945 5.508 -9.031 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.074 1.869 -10.462 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.368 1.176 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.038 2.082 -8.696 1.00 0.00 H new ATOM 418 N PHE C 27 62.661 2.765 -6.452 1.00 0.00 N ATOM 419 CA PHE C 27 63.591 3.168 -5.357 1.00 0.00 C ATOM 420 C PHE C 27 65.044 3.002 -5.809 1.00 0.00 C ATOM 421 O PHE C 27 65.955 3.531 -5.204 1.00 0.00 O ATOM 422 CB PHE C 27 63.286 2.216 -4.200 1.00 0.00 C ATOM 423 CG PHE C 27 61.994 2.615 -3.524 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.697 3.967 -3.308 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.094 1.627 -3.109 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.500 4.328 -2.678 1.00 0.00 C ATOM 427 CE2 PHE C 27 59.898 1.989 -2.477 1.00 0.00 C ATOM 428 CZ PHE C 27 59.601 3.340 -2.262 1.00 0.00 C ATOM 0 H PHE C 27 62.022 2.004 -6.221 1.00 0.00 H new ATOM 0 HA PHE C 27 63.459 4.212 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE C 27 63.211 1.194 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.103 2.234 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE C 27 62.391 4.730 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE C 27 61.322 0.585 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE C 27 60.270 5.370 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE C 27 59.205 1.226 -2.155 1.00 0.00 H new ATOM 0 HZ PHE C 27 58.678 3.619 -1.775 1.00 0.00 H new ATOM 438 N VAL C 28 65.270 2.262 -6.861 1.00 0.00 N ATOM 439 CA VAL C 28 66.665 2.057 -7.339 1.00 0.00 C ATOM 440 C VAL C 28 66.804 2.488 -8.802 1.00 0.00 C ATOM 441 O VAL C 28 67.687 2.043 -9.507 1.00 0.00 O ATOM 442 CB VAL C 28 66.904 0.555 -7.200 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.635 0.124 -5.756 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.960 -0.197 -8.140 1.00 0.00 C ATOM 0 H VAL C 28 64.549 1.792 -7.408 1.00 0.00 H new ATOM 0 HA VAL C 28 67.385 2.646 -6.772 1.00 0.00 H new ATOM 0 HB VAL C 28 67.938 0.326 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.806 -0.948 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.306 0.661 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.602 0.352 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.128 -1.270 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.927 0.033 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.151 0.109 -9.169 1.00 0.00 H new ATOM 454 N LEU C 29 65.940 3.349 -9.267 1.00 0.00 N ATOM 455 CA LEU C 29 66.035 3.800 -10.686 1.00 0.00 C ATOM 456 C LEU C 29 67.381 4.484 -10.932 1.00 0.00 C ATOM 457 O LEU C 29 67.579 5.632 -10.585 1.00 0.00 O ATOM 458 CB LEU C 29 64.885 4.793 -10.867 1.00 0.00 C ATOM 459 CG LEU C 29 64.334 4.678 -12.289 1.00 0.00 C ATOM 460 CD1 LEU C 29 62.824 4.925 -12.275 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.012 5.717 -13.183 1.00 0.00 C ATOM 0 H LEU C 29 65.176 3.758 -8.729 1.00 0.00 H new ATOM 0 HA LEU C 29 65.967 2.970 -11.389 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.097 4.590 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.234 5.809 -10.681 1.00 0.00 H new ATOM 0 HG LEU C 29 64.534 3.679 -12.676 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.432 4.843 -13.289 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.340 4.185 -11.638 1.00 0.00 H new ATOM 0 HD13 LEU C 29 62.622 5.924 -11.888 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.620 5.636 -14.197 1.00 0.00 H new ATOM 0 HD22 LEU C 29 64.812 6.716 -12.796 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.088 5.541 -13.195 1.00 0.00 H new ATOM 473 N GLY C 30 68.311 3.788 -11.526 1.00 0.00 N ATOM 474 CA GLY C 30 69.645 4.397 -11.791 1.00 0.00 C ATOM 475 C GLY C 30 70.702 3.702 -10.929 1.00 0.00 C ATOM 476 O GLY C 30 71.854 3.606 -11.301 1.00 0.00 O ATOM 0 H GLY C 30 68.205 2.823 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.899 4.299 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.621 5.463 -11.567 1.00 0.00 H new ATOM 480 N ALA C 31 70.317 3.217 -9.781 1.00 0.00 N ATOM 481 CA ALA C 31 71.299 2.528 -8.896 1.00 0.00 C ATOM 482 C ALA C 31 72.122 1.520 -9.702 1.00 0.00 C ATOM 483 O ALA C 31 71.737 1.110 -10.779 1.00 0.00 O ATOM 484 CB ALA C 31 70.452 1.810 -7.844 1.00 0.00 C ATOM 0 H ALA C 31 69.365 3.268 -9.417 1.00 0.00 H new ATOM 0 HA ALA C 31 72.005 3.224 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.105 1.277 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.859 2.541 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.787 1.100 -8.335 1.00 0.00 H new ATOM 490 N GLU C 32 73.253 1.118 -9.191 1.00 0.00 N ATOM 491 CA GLU C 32 74.099 0.139 -9.931 1.00 0.00 C ATOM 492 C GLU C 32 74.129 -1.203 -9.194 1.00 0.00 C ATOM 493 O GLU C 32 74.485 -2.221 -9.752 1.00 0.00 O ATOM 494 CB GLU C 32 75.493 0.767 -9.960 1.00 0.00 C ATOM 495 CG GLU C 32 76.047 0.714 -11.385 1.00 0.00 C ATOM 496 CD GLU C 32 77.192 1.718 -11.526 1.00 0.00 C ATOM 497 OE1 GLU C 32 78.320 1.343 -11.252 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.921 2.845 -11.905 1.00 0.00 O ATOM 0 H GLU C 32 73.628 1.425 -8.293 1.00 0.00 H new ATOM 0 HA GLU C 32 73.719 -0.061 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.445 1.800 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.158 0.234 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.401 -0.292 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.258 0.943 -12.102 1.00 0.00 H new ATOM 505 N ASP C 33 73.758 -1.211 -7.943 1.00 0.00 N ATOM 506 CA ASP C 33 73.765 -2.489 -7.172 1.00 0.00 C ATOM 507 C ASP C 33 72.365 -3.106 -7.158 1.00 0.00 C ATOM 508 O ASP C 33 72.172 -4.220 -6.713 1.00 0.00 O ATOM 509 CB ASP C 33 74.193 -2.095 -5.759 1.00 0.00 C ATOM 510 CG ASP C 33 75.678 -1.726 -5.757 1.00 0.00 C ATOM 511 OD1 ASP C 33 76.404 -2.270 -6.573 1.00 0.00 O ATOM 512 OD2 ASP C 33 76.063 -0.906 -4.940 1.00 0.00 O ATOM 0 H ASP C 33 73.451 -0.390 -7.421 1.00 0.00 H new ATOM 0 HA ASP C 33 74.433 -3.232 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.598 -1.251 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP C 33 74.012 -2.920 -5.070 1.00 0.00 H new ATOM 517 N GLY C 34 71.386 -2.391 -7.641 1.00 0.00 N ATOM 518 CA GLY C 34 70.000 -2.939 -7.653 1.00 0.00 C ATOM 519 C GLY C 34 69.412 -2.869 -6.244 1.00 0.00 C ATOM 520 O GLY C 34 68.429 -3.513 -5.939 1.00 0.00 O ATOM 0 H GLY C 34 71.486 -1.452 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.379 -2.371 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY C 34 70.009 -3.971 -8.004 1.00 0.00 H new ATOM 524 N CYS C 35 70.005 -2.090 -5.382 1.00 0.00 N ATOM 525 CA CYS C 35 69.479 -1.978 -3.991 1.00 0.00 C ATOM 526 C CYS C 35 69.159 -0.517 -3.664 1.00 0.00 C ATOM 527 O CYS C 35 69.208 0.345 -4.518 1.00 0.00 O ATOM 528 CB CYS C 35 70.608 -2.493 -3.098 1.00 0.00 C ATOM 529 SG CYS C 35 70.306 -4.231 -2.692 1.00 0.00 S ATOM 0 H CYS C 35 70.831 -1.526 -5.580 1.00 0.00 H new ATOM 0 HA CYS C 35 68.558 -2.544 -3.850 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.566 -2.388 -3.607 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.665 -1.899 -2.186 1.00 0.00 H new ATOM 0 HG CYS C 35 69.369 -4.310 -1.794 1.00 0.00 H new ATOM 535 N ILE C 36 68.830 -0.232 -2.433 1.00 0.00 N ATOM 536 CA ILE C 36 68.505 1.173 -2.056 1.00 0.00 C ATOM 537 C ILE C 36 69.545 1.721 -1.076 1.00 0.00 C ATOM 538 O ILE C 36 70.200 0.983 -0.368 1.00 0.00 O ATOM 539 CB ILE C 36 67.137 1.100 -1.386 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.127 0.471 -2.350 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.675 2.508 -1.014 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.759 0.382 -1.670 1.00 0.00 C ATOM 0 H ILE C 36 68.772 -0.910 -1.673 1.00 0.00 H new ATOM 0 HA ILE C 36 68.504 1.835 -2.922 1.00 0.00 H new ATOM 0 HB ILE C 36 67.208 0.490 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.055 1.069 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.462 -0.523 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.697 2.455 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.392 2.956 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.606 3.118 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.040 -0.066 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.837 -0.234 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.424 1.382 -1.395 1.00 0.00 H new ATOM 554 N SER C 37 69.695 3.014 -1.033 1.00 0.00 N ATOM 555 CA SER C 37 70.686 3.630 -0.105 1.00 0.00 C ATOM 556 C SER C 37 70.313 5.089 0.145 1.00 0.00 C ATOM 557 O SER C 37 71.161 5.936 0.324 1.00 0.00 O ATOM 558 CB SER C 37 72.013 3.550 -0.844 1.00 0.00 C ATOM 559 OG SER C 37 72.742 2.418 -0.388 1.00 0.00 O ATOM 0 H SER C 37 69.171 3.677 -1.604 1.00 0.00 H new ATOM 0 HA SER C 37 70.723 3.128 0.862 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.840 3.476 -1.918 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.590 4.459 -0.676 1.00 0.00 H new ATOM 0 HG SER C 37 72.759 2.413 0.592 1.00 0.00 H new ATOM 565 N THR C 38 69.042 5.376 0.128 1.00 0.00 N ATOM 566 CA THR C 38 68.551 6.779 0.335 1.00 0.00 C ATOM 567 C THR C 38 68.832 7.610 -0.919 1.00 0.00 C ATOM 568 O THR C 38 67.952 8.253 -1.457 1.00 0.00 O ATOM 569 CB THR C 38 69.307 7.355 1.547 1.00 0.00 C ATOM 570 OG1 THR C 38 70.516 7.962 1.115 1.00 0.00 O ATOM 571 CG2 THR C 38 69.614 6.251 2.563 1.00 0.00 C ATOM 0 H THR C 38 68.304 4.688 -0.023 1.00 0.00 H new ATOM 0 HA THR C 38 67.477 6.798 0.518 1.00 0.00 H new ATOM 0 HB THR C 38 68.677 8.104 2.027 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.147 7.268 0.831 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.148 6.677 3.412 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.681 5.804 2.908 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.231 5.485 2.093 1.00 0.00 H new ATOM 579 N LYS C 39 70.047 7.598 -1.400 1.00 0.00 N ATOM 580 CA LYS C 39 70.363 8.382 -2.626 1.00 0.00 C ATOM 581 C LYS C 39 69.299 8.121 -3.694 1.00 0.00 C ATOM 582 O LYS C 39 68.942 8.999 -4.455 1.00 0.00 O ATOM 583 CB LYS C 39 71.729 7.870 -3.087 1.00 0.00 C ATOM 584 CG LYS C 39 72.823 8.824 -2.602 1.00 0.00 C ATOM 585 CD LYS C 39 72.853 10.065 -3.496 1.00 0.00 C ATOM 586 CE LYS C 39 72.801 11.324 -2.628 1.00 0.00 C ATOM 587 NZ LYS C 39 71.372 11.453 -2.222 1.00 0.00 N ATOM 0 H LYS C 39 70.830 7.082 -0.998 1.00 0.00 H new ATOM 0 HA LYS C 39 70.378 9.456 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.905 6.868 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.753 7.795 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.636 9.113 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.791 8.324 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.758 10.067 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.008 10.050 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.452 11.231 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.134 12.201 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 71.182 12.432 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 70.759 11.209 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 71.177 10.808 -1.430 1.00 0.00 H new ATOM 601 N GLU C 40 68.781 6.922 -3.752 1.00 0.00 N ATOM 602 CA GLU C 40 67.732 6.611 -4.764 1.00 0.00 C ATOM 603 C GLU C 40 66.349 6.807 -4.142 1.00 0.00 C ATOM 604 O GLU C 40 65.419 7.250 -4.787 1.00 0.00 O ATOM 605 CB GLU C 40 67.953 5.142 -5.129 1.00 0.00 C ATOM 606 CG GLU C 40 69.431 4.914 -5.449 1.00 0.00 C ATOM 607 CD GLU C 40 69.761 5.532 -6.809 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.924 6.251 -7.329 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.844 5.276 -7.307 1.00 0.00 O ATOM 0 H GLU C 40 69.040 6.146 -3.142 1.00 0.00 H new ATOM 0 HA GLU C 40 67.790 7.256 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.645 4.501 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.338 4.873 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.055 5.360 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.651 3.846 -5.460 1.00 0.00 H new ATOM 616 N LEU C 41 66.215 6.479 -2.888 1.00 0.00 N ATOM 617 CA LEU C 41 64.905 6.640 -2.200 1.00 0.00 C ATOM 618 C LEU C 41 64.559 8.127 -2.064 1.00 0.00 C ATOM 619 O LEU C 41 63.537 8.585 -2.538 1.00 0.00 O ATOM 620 CB LEU C 41 65.121 6.007 -0.823 1.00 0.00 C ATOM 621 CG LEU C 41 63.774 5.653 -0.191 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.851 6.867 -0.249 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.139 4.493 -0.957 1.00 0.00 C ATOM 0 H LEU C 41 66.963 6.103 -2.306 1.00 0.00 H new ATOM 0 HA LEU C 41 64.082 6.176 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.734 5.111 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.664 6.697 -0.178 1.00 0.00 H new ATOM 0 HG LEU C 41 63.926 5.361 0.848 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.891 6.616 0.201 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.303 7.694 0.298 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.699 7.159 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.179 4.241 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.987 4.784 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.798 3.626 -0.916 1.00 0.00 H new ATOM 635 N GLY C 42 65.400 8.883 -1.412 1.00 0.00 N ATOM 636 CA GLY C 42 65.120 10.337 -1.234 1.00 0.00 C ATOM 637 C GLY C 42 64.788 10.980 -2.583 1.00 0.00 C ATOM 638 O GLY C 42 64.152 12.012 -2.644 1.00 0.00 O ATOM 0 H GLY C 42 66.271 8.556 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.288 10.473 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.985 10.830 -0.791 1.00 0.00 H new ATOM 642 N LYS C 43 65.212 10.383 -3.664 1.00 0.00 N ATOM 643 CA LYS C 43 64.913 10.975 -5.000 1.00 0.00 C ATOM 644 C LYS C 43 63.400 11.055 -5.214 1.00 0.00 C ATOM 645 O LYS C 43 62.901 11.954 -5.862 1.00 0.00 O ATOM 646 CB LYS C 43 65.553 10.026 -6.012 1.00 0.00 C ATOM 647 CG LYS C 43 66.397 10.835 -6.998 1.00 0.00 C ATOM 648 CD LYS C 43 66.689 9.990 -8.237 1.00 0.00 C ATOM 649 CE LYS C 43 65.525 10.109 -9.225 1.00 0.00 C ATOM 650 NZ LYS C 43 65.880 9.209 -10.360 1.00 0.00 N ATOM 0 H LYS C 43 65.749 9.516 -3.681 1.00 0.00 H new ATOM 0 HA LYS C 43 65.301 11.989 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.175 9.293 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.782 9.471 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.869 11.745 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.331 11.142 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.614 10.323 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.833 8.948 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.585 9.808 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS C 43 65.399 11.138 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.127 9.240 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.775 9.523 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 65.986 8.235 -10.011 1.00 0.00 H new ATOM 664 N VAL C 44 62.666 10.127 -4.668 1.00 0.00 N ATOM 665 CA VAL C 44 61.185 10.154 -4.834 1.00 0.00 C ATOM 666 C VAL C 44 60.572 11.159 -3.851 1.00 0.00 C ATOM 667 O VAL C 44 59.576 11.794 -4.138 1.00 0.00 O ATOM 668 CB VAL C 44 60.727 8.724 -4.517 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.268 8.732 -4.051 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.851 7.858 -5.773 1.00 0.00 C ATOM 0 H VAL C 44 63.027 9.350 -4.114 1.00 0.00 H new ATOM 0 HA VAL C 44 60.877 10.461 -5.833 1.00 0.00 H new ATOM 0 HB VAL C 44 61.355 8.317 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.952 7.713 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.176 9.345 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.637 9.144 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.526 6.842 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.226 8.272 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.890 7.842 -6.103 1.00 0.00 H new ATOM 680 N MET C 45 61.159 11.304 -2.694 1.00 0.00 N ATOM 681 CA MET C 45 60.609 12.264 -1.694 1.00 0.00 C ATOM 682 C MET C 45 60.244 13.585 -2.374 1.00 0.00 C ATOM 683 O MET C 45 59.138 14.072 -2.253 1.00 0.00 O ATOM 684 CB MET C 45 61.736 12.470 -0.682 1.00 0.00 C ATOM 685 CG MET C 45 62.054 11.140 0.005 1.00 0.00 C ATOM 686 SD MET C 45 60.545 10.462 0.736 1.00 0.00 S ATOM 687 CE MET C 45 60.119 9.345 -0.623 1.00 0.00 C ATOM 0 H MET C 45 61.995 10.800 -2.398 1.00 0.00 H new ATOM 0 HA MET C 45 59.701 11.893 -1.220 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.624 12.854 -1.184 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.442 13.213 0.059 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.469 10.436 -0.716 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.809 11.289 0.777 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.424 8.585 -0.265 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.653 9.913 -1.428 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.023 8.863 -0.995 1.00 0.00 H new ATOM 697 N ARG C 46 61.166 14.168 -3.091 1.00 0.00 N ATOM 698 CA ARG C 46 60.868 15.456 -3.779 1.00 0.00 C ATOM 699 C ARG C 46 59.735 15.258 -4.790 1.00 0.00 C ATOM 700 O ARG C 46 59.062 16.194 -5.176 1.00 0.00 O ATOM 701 CB ARG C 46 62.169 15.836 -4.488 1.00 0.00 C ATOM 702 CG ARG C 46 62.365 14.947 -5.718 1.00 0.00 C ATOM 703 CD ARG C 46 61.704 15.604 -6.932 1.00 0.00 C ATOM 704 NE ARG C 46 62.695 15.459 -8.034 1.00 0.00 N ATOM 705 CZ ARG C 46 62.744 14.353 -8.726 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.941 13.214 -8.121 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.601 14.387 -10.023 1.00 0.00 N ATOM 0 H ARG C 46 62.111 13.809 -3.230 1.00 0.00 H new ATOM 0 HA ARG C 46 60.544 16.234 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.139 16.884 -4.786 1.00 0.00 H new ATOM 0 HB3 ARG C 46 63.012 15.722 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG C 46 63.428 14.797 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.930 13.963 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG C 46 60.762 15.116 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG C 46 61.478 16.653 -6.739 1.00 0.00 H new ATOM 0 HE ARG C 46 63.335 16.224 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.057 13.188 -7.108 1.00 0.00 H new ATOM 0 HH12 ARG C 46 62.979 12.350 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.451 15.278 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG C 46 62.639 13.523 -10.563 1.00 0.00 H new ATOM 721 N MET C 47 59.520 14.044 -5.220 1.00 0.00 N ATOM 722 CA MET C 47 58.431 13.781 -6.204 1.00 0.00 C ATOM 723 C MET C 47 57.100 13.571 -5.475 1.00 0.00 C ATOM 724 O MET C 47 56.053 13.963 -5.952 1.00 0.00 O ATOM 725 CB MET C 47 58.853 12.503 -6.931 1.00 0.00 C ATOM 726 CG MET C 47 58.965 12.781 -8.430 1.00 0.00 C ATOM 727 SD MET C 47 58.159 11.447 -9.351 1.00 0.00 S ATOM 728 CE MET C 47 59.033 10.071 -8.565 1.00 0.00 C ATOM 0 H MET C 47 60.052 13.223 -4.932 1.00 0.00 H new ATOM 0 HA MET C 47 58.287 14.613 -6.894 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.809 12.151 -6.544 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.125 11.712 -6.751 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.499 13.737 -8.670 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.013 12.856 -8.720 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.998 9.198 -9.217 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.072 10.352 -8.390 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.557 9.833 -7.614 1.00 0.00 H new ATOM 738 N LEU C 48 57.131 12.958 -4.321 1.00 0.00 N ATOM 739 CA LEU C 48 55.866 12.731 -3.564 1.00 0.00 C ATOM 740 C LEU C 48 55.407 14.036 -2.910 1.00 0.00 C ATOM 741 O LEU C 48 54.319 14.129 -2.375 1.00 0.00 O ATOM 742 CB LEU C 48 56.212 11.695 -2.493 1.00 0.00 C ATOM 743 CG LEU C 48 56.839 10.460 -3.143 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.129 9.416 -2.065 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.868 9.868 -4.168 1.00 0.00 C ATOM 0 H LEU C 48 57.976 12.606 -3.871 1.00 0.00 H new ATOM 0 HA LEU C 48 55.058 12.389 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.903 12.126 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.313 11.411 -1.946 1.00 0.00 H new ATOM 0 HG LEU C 48 57.765 10.745 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.576 8.534 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.819 9.833 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.199 9.136 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.317 8.989 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.942 9.583 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.653 10.611 -4.936 1.00 0.00 H new ATOM 757 N GLY C 49 56.232 15.047 -2.946 1.00 0.00 N ATOM 758 CA GLY C 49 55.850 16.347 -2.323 1.00 0.00 C ATOM 759 C GLY C 49 56.444 16.430 -0.916 1.00 0.00 C ATOM 760 O GLY C 49 55.911 17.089 -0.045 1.00 0.00 O ATOM 0 H GLY C 49 57.155 15.029 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.212 17.175 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.765 16.436 -2.277 1.00 0.00 H new ATOM 764 N GLN C 50 57.544 15.765 -0.687 1.00 0.00 N ATOM 765 CA GLN C 50 58.173 15.804 0.665 1.00 0.00 C ATOM 766 C GLN C 50 59.693 15.951 0.542 1.00 0.00 C ATOM 767 O GLN C 50 60.218 16.190 -0.527 1.00 0.00 O ATOM 768 CB GLN C 50 57.816 14.462 1.304 1.00 0.00 C ATOM 769 CG GLN C 50 57.230 14.698 2.697 1.00 0.00 C ATOM 770 CD GLN C 50 55.752 14.304 2.702 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.408 13.186 2.371 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.857 15.181 3.066 1.00 0.00 N ATOM 0 H GLN C 50 58.034 15.196 -1.377 1.00 0.00 H new ATOM 0 HA GLN C 50 57.821 16.648 1.259 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.097 13.931 0.681 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.703 13.833 1.373 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.776 14.113 3.437 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.339 15.746 2.976 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.146 16.119 3.344 1.00 0.00 H new ATOM 0 HE22 GLN C 50 53.869 14.928 3.073 1.00 0.00 H new ATOM 781 N ASN C 51 60.401 15.808 1.628 1.00 0.00 N ATOM 782 CA ASN C 51 61.886 15.937 1.576 1.00 0.00 C ATOM 783 C ASN C 51 62.485 15.709 2.967 1.00 0.00 C ATOM 784 O ASN C 51 62.674 16.642 3.724 1.00 0.00 O ATOM 785 CB ASN C 51 62.145 17.367 1.105 1.00 0.00 C ATOM 786 CG ASN C 51 61.395 18.350 2.006 1.00 0.00 C ATOM 787 OD1 ASN C 51 60.767 17.952 2.968 1.00 0.00 O ATOM 788 ND2 ASN C 51 61.436 19.626 1.735 1.00 0.00 N ATOM 0 H ASN C 51 60.016 15.607 2.551 1.00 0.00 H new ATOM 0 HA ASN C 51 62.342 15.203 0.911 1.00 0.00 H new ATOM 0 HB2 ASN C 51 63.214 17.580 1.128 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.819 17.485 0.072 1.00 0.00 H new ATOM 0 HD21 ASN C 51 60.941 20.290 2.330 1.00 0.00 H new ATOM 0 HD22 ASN C 51 61.963 19.959 0.928 1.00 0.00 H new ATOM 795 N PRO C 52 62.759 14.467 3.256 1.00 0.00 N ATOM 796 CA PRO C 52 63.340 14.094 4.570 1.00 0.00 C ATOM 797 C PRO C 52 64.812 14.507 4.649 1.00 0.00 C ATOM 798 O PRO C 52 65.410 14.910 3.672 1.00 0.00 O ATOM 799 CB PRO C 52 63.206 12.575 4.602 1.00 0.00 C ATOM 800 CG PRO C 52 63.161 12.159 3.166 1.00 0.00 C ATOM 801 CD PRO C 52 62.553 13.300 2.391 1.00 0.00 C ATOM 0 HA PRO C 52 62.843 14.583 5.408 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.048 12.116 5.120 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.302 12.270 5.130 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.162 11.935 2.799 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.567 11.253 3.046 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.039 13.429 1.424 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.494 13.130 2.195 1.00 0.00 H new ATOM 809 N THR C 53 65.399 14.408 5.812 1.00 0.00 N ATOM 810 CA THR C 53 66.831 14.791 5.960 1.00 0.00 C ATOM 811 C THR C 53 67.737 13.598 5.638 1.00 0.00 C ATOM 812 O THR C 53 67.270 12.488 5.473 1.00 0.00 O ATOM 813 CB THR C 53 66.980 15.197 7.427 1.00 0.00 C ATOM 814 OG1 THR C 53 66.005 14.517 8.206 1.00 0.00 O ATOM 815 CG2 THR C 53 66.780 16.706 7.560 1.00 0.00 C ATOM 0 H THR C 53 64.948 14.078 6.665 1.00 0.00 H new ATOM 0 HA THR C 53 67.116 15.595 5.282 1.00 0.00 H new ATOM 0 HB THR C 53 67.976 14.931 7.780 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.100 14.775 9.147 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.886 16.996 8.605 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.528 17.226 6.961 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.783 16.973 7.208 1.00 0.00 H new ATOM 823 N PRO C 54 69.008 13.876 5.555 1.00 0.00 N ATOM 824 CA PRO C 54 70.004 12.823 5.244 1.00 0.00 C ATOM 825 C PRO C 54 70.263 11.940 6.469 1.00 0.00 C ATOM 826 O PRO C 54 70.456 10.746 6.356 1.00 0.00 O ATOM 827 CB PRO C 54 71.255 13.614 4.874 1.00 0.00 C ATOM 828 CG PRO C 54 71.107 14.932 5.567 1.00 0.00 C ATOM 829 CD PRO C 54 69.632 15.191 5.740 1.00 0.00 C ATOM 0 HA PRO C 54 69.677 12.149 4.452 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.158 13.097 5.200 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.334 13.744 3.795 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.609 14.915 6.534 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.570 15.727 4.982 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.413 15.600 6.726 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.266 15.911 5.008 1.00 0.00 H new ATOM 837 N GLU C 55 70.278 12.518 7.639 1.00 0.00 N ATOM 838 CA GLU C 55 70.536 11.712 8.867 1.00 0.00 C ATOM 839 C GLU C 55 69.368 10.758 9.137 1.00 0.00 C ATOM 840 O GLU C 55 69.557 9.633 9.555 1.00 0.00 O ATOM 841 CB GLU C 55 70.666 12.736 9.995 1.00 0.00 C ATOM 842 CG GLU C 55 72.060 13.364 9.952 1.00 0.00 C ATOM 843 CD GLU C 55 72.228 14.319 11.136 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.091 13.868 12.262 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.493 15.486 10.897 1.00 0.00 O ATOM 0 H GLU C 55 70.123 13.513 7.798 1.00 0.00 H new ATOM 0 HA GLU C 55 71.429 11.095 8.772 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.904 13.508 9.890 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.501 12.255 10.959 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.822 12.586 9.988 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.199 13.903 9.015 1.00 0.00 H new ATOM 852 N GLU C 56 68.161 11.199 8.904 1.00 0.00 N ATOM 853 CA GLU C 56 66.987 10.314 9.152 1.00 0.00 C ATOM 854 C GLU C 56 66.716 9.434 7.929 1.00 0.00 C ATOM 855 O GLU C 56 66.159 8.360 8.039 1.00 0.00 O ATOM 856 CB GLU C 56 65.817 11.268 9.397 1.00 0.00 C ATOM 857 CG GLU C 56 64.634 10.484 9.968 1.00 0.00 C ATOM 858 CD GLU C 56 63.455 11.432 10.199 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.652 12.444 10.849 1.00 0.00 O ATOM 860 OE2 GLU C 56 62.374 11.128 9.721 1.00 0.00 O ATOM 0 H GLU C 56 67.938 12.131 8.554 1.00 0.00 H new ATOM 0 HA GLU C 56 67.149 9.642 9.994 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.114 12.055 10.090 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.529 11.755 8.465 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.345 9.689 9.280 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.919 10.007 10.905 1.00 0.00 H new ATOM 867 N LEU C 57 67.102 9.878 6.766 1.00 0.00 N ATOM 868 CA LEU C 57 66.861 9.063 5.539 1.00 0.00 C ATOM 869 C LEU C 57 67.197 7.591 5.802 1.00 0.00 C ATOM 870 O LEU C 57 66.374 6.715 5.620 1.00 0.00 O ATOM 871 CB LEU C 57 67.805 9.644 4.484 1.00 0.00 C ATOM 872 CG LEU C 57 67.007 10.053 3.244 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.972 10.509 2.148 1.00 0.00 C ATOM 874 CD2 LEU C 57 66.192 8.859 2.734 1.00 0.00 C ATOM 0 H LEU C 57 67.574 10.769 6.610 1.00 0.00 H new ATOM 0 HA LEU C 57 65.819 9.099 5.221 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.332 10.508 4.890 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.562 8.907 4.214 1.00 0.00 H new ATOM 0 HG LEU C 57 66.331 10.868 3.504 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.406 10.801 1.263 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.552 11.360 2.505 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.646 9.691 1.894 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.626 9.156 1.851 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.866 8.042 2.475 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.504 8.529 3.512 1.00 0.00 H new ATOM 886 N GLN C 58 68.399 7.314 6.228 1.00 0.00 N ATOM 887 CA GLN C 58 68.789 5.899 6.501 1.00 0.00 C ATOM 888 C GLN C 58 67.690 5.191 7.299 1.00 0.00 C ATOM 889 O GLN C 58 67.475 4.004 7.155 1.00 0.00 O ATOM 890 CB GLN C 58 70.074 5.999 7.323 1.00 0.00 C ATOM 891 CG GLN C 58 71.250 5.467 6.500 1.00 0.00 C ATOM 892 CD GLN C 58 71.328 3.945 6.641 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.294 3.424 7.738 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.431 3.207 5.571 1.00 0.00 N ATOM 0 H GLN C 58 69.129 8.006 6.399 1.00 0.00 H new ATOM 0 HA GLN C 58 68.933 5.324 5.586 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.256 7.035 7.609 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.974 5.427 8.245 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.126 5.739 5.452 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.180 5.922 6.840 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.459 3.645 4.650 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.483 2.192 5.655 1.00 0.00 H new ATOM 903 N GLU C 59 66.994 5.909 8.137 1.00 0.00 N ATOM 904 CA GLU C 59 65.909 5.274 8.941 1.00 0.00 C ATOM 905 C GLU C 59 65.030 4.398 8.044 1.00 0.00 C ATOM 906 O GLU C 59 64.808 3.235 8.322 1.00 0.00 O ATOM 907 CB GLU C 59 65.099 6.441 9.508 1.00 0.00 C ATOM 908 CG GLU C 59 63.957 5.900 10.372 1.00 0.00 C ATOM 909 CD GLU C 59 64.347 5.990 11.849 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.273 5.299 12.239 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.714 6.749 12.563 1.00 0.00 O ATOM 0 H GLU C 59 67.129 6.907 8.300 1.00 0.00 H new ATOM 0 HA GLU C 59 66.302 4.630 9.728 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.743 7.089 10.102 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.698 7.048 8.696 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.047 6.472 10.190 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.743 4.865 10.104 1.00 0.00 H new ATOM 918 N MET C 60 64.530 4.944 6.969 1.00 0.00 N ATOM 919 CA MET C 60 63.667 4.140 6.057 1.00 0.00 C ATOM 920 C MET C 60 64.326 2.788 5.769 1.00 0.00 C ATOM 921 O MET C 60 63.690 1.753 5.809 1.00 0.00 O ATOM 922 CB MET C 60 63.559 4.970 4.777 1.00 0.00 C ATOM 923 CG MET C 60 62.137 5.517 4.642 1.00 0.00 C ATOM 924 SD MET C 60 62.180 7.326 4.656 1.00 0.00 S ATOM 925 CE MET C 60 61.918 7.573 2.883 1.00 0.00 C ATOM 0 H MET C 60 64.682 5.911 6.683 1.00 0.00 H new ATOM 0 HA MET C 60 62.688 3.932 6.488 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.275 5.791 4.802 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.808 4.357 3.911 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.686 5.161 3.716 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.516 5.151 5.460 1.00 0.00 H new ATOM 0 HE1 MET C 60 62.713 8.202 2.482 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.928 6.608 2.376 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.955 8.058 2.722 1.00 0.00 H new ATOM 935 N ILE C 61 65.598 2.789 5.482 1.00 0.00 N ATOM 936 CA ILE C 61 66.300 1.506 5.194 1.00 0.00 C ATOM 937 C ILE C 61 66.649 0.791 6.504 1.00 0.00 C ATOM 938 O ILE C 61 66.725 -0.420 6.558 1.00 0.00 O ATOM 939 CB ILE C 61 67.568 1.914 4.444 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.215 2.239 2.991 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.579 0.766 4.475 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.853 3.721 2.875 1.00 0.00 C ATOM 0 H ILE C 61 66.183 3.623 5.434 1.00 0.00 H new ATOM 0 HA ILE C 61 65.688 0.816 4.613 1.00 0.00 H new ATOM 0 HB ILE C 61 68.003 2.791 4.922 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.058 2.007 2.340 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.379 1.622 2.662 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.481 1.061 3.939 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.831 0.531 5.509 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.146 -0.113 3.999 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.601 3.954 1.840 1.00 0.00 H new ATOM 0 HD12 ILE C 61 65.997 3.938 3.514 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.702 4.329 3.187 1.00 0.00 H new ATOM 954 N ASP C 62 66.861 1.532 7.558 1.00 0.00 N ATOM 955 CA ASP C 62 67.205 0.894 8.862 1.00 0.00 C ATOM 956 C ASP C 62 65.997 0.135 9.418 1.00 0.00 C ATOM 957 O ASP C 62 66.107 -0.991 9.860 1.00 0.00 O ATOM 958 CB ASP C 62 67.581 2.054 9.787 1.00 0.00 C ATOM 959 CG ASP C 62 69.104 2.158 9.888 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.771 1.701 8.975 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.577 2.693 10.877 1.00 0.00 O ATOM 0 H ASP C 62 66.811 2.551 7.573 1.00 0.00 H new ATOM 0 HA ASP C 62 68.015 0.172 8.764 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.167 2.987 9.403 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.151 1.898 10.776 1.00 0.00 H new ATOM 966 N GLU C 63 64.842 0.744 9.398 1.00 0.00 N ATOM 967 CA GLU C 63 63.629 0.057 9.927 1.00 0.00 C ATOM 968 C GLU C 63 63.556 -1.376 9.391 1.00 0.00 C ATOM 969 O GLU C 63 62.946 -2.241 9.989 1.00 0.00 O ATOM 970 CB GLU C 63 62.449 0.882 9.413 1.00 0.00 C ATOM 971 CG GLU C 63 61.757 1.572 10.590 1.00 0.00 C ATOM 972 CD GLU C 63 60.662 0.659 11.147 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.861 -0.545 11.138 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.644 1.179 11.571 1.00 0.00 O ATOM 0 H GLU C 63 64.686 1.686 9.039 1.00 0.00 H new ATOM 0 HA GLU C 63 63.635 -0.011 11.015 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.796 1.625 8.695 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.743 0.238 8.889 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.484 1.802 11.369 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.326 2.519 10.267 1.00 0.00 H new ATOM 981 N VAL C 64 64.171 -1.633 8.270 1.00 0.00 N ATOM 982 CA VAL C 64 64.133 -3.011 7.701 1.00 0.00 C ATOM 983 C VAL C 64 65.531 -3.437 7.242 1.00 0.00 C ATOM 984 O VAL C 64 65.749 -3.737 6.085 1.00 0.00 O ATOM 985 CB VAL C 64 63.185 -2.921 6.507 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.775 -2.585 6.998 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.668 -1.822 5.558 1.00 0.00 C ATOM 0 H VAL C 64 64.697 -0.951 7.724 1.00 0.00 H new ATOM 0 HA VAL C 64 63.801 -3.748 8.433 1.00 0.00 H new ATOM 0 HB VAL C 64 63.169 -3.876 5.982 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.099 -2.521 6.146 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.430 -3.365 7.677 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.790 -1.629 7.522 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.993 -1.756 4.705 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.683 -0.868 6.084 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.673 -2.059 5.208 1.00 0.00 H new ATOM 997 N ASP C 65 66.477 -3.468 8.138 1.00 0.00 N ATOM 998 CA ASP C 65 67.857 -3.878 7.752 1.00 0.00 C ATOM 999 C ASP C 65 68.311 -5.063 8.609 1.00 0.00 C ATOM 1000 O ASP C 65 68.875 -4.892 9.670 1.00 0.00 O ATOM 1001 CB ASP C 65 68.729 -2.652 8.024 1.00 0.00 C ATOM 1002 CG ASP C 65 69.858 -2.591 6.995 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.742 -3.255 5.978 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.820 -1.881 7.240 1.00 0.00 O ATOM 0 H ASP C 65 66.355 -3.227 9.122 1.00 0.00 H new ATOM 0 HA ASP C 65 67.919 -4.195 6.711 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.126 -1.745 7.973 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.143 -2.703 9.031 1.00 0.00 H new ATOM 1009 N GLU C 66 68.066 -6.262 8.156 1.00 0.00 N ATOM 1010 CA GLU C 66 68.482 -7.454 8.948 1.00 0.00 C ATOM 1011 C GLU C 66 69.854 -7.949 8.481 1.00 0.00 C ATOM 1012 O GLU C 66 70.256 -9.058 8.769 1.00 0.00 O ATOM 1013 CB GLU C 66 67.407 -8.506 8.672 1.00 0.00 C ATOM 1014 CG GLU C 66 66.129 -8.139 9.430 1.00 0.00 C ATOM 1015 CD GLU C 66 64.910 -8.613 8.636 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.827 -9.802 8.370 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.081 -7.782 8.307 1.00 0.00 O ATOM 0 H GLU C 66 67.597 -6.468 7.274 1.00 0.00 H new ATOM 0 HA GLU C 66 68.572 -7.233 10.012 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.205 -8.563 7.602 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.757 -9.490 8.983 1.00 0.00 H new ATOM 0 HG2 GLU C 66 66.134 -8.600 10.418 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.081 -7.061 9.582 1.00 0.00 H new ATOM 1024 N ASP C 67 70.576 -7.130 7.765 1.00 0.00 N ATOM 1025 CA ASP C 67 71.924 -7.551 7.283 1.00 0.00 C ATOM 1026 C ASP C 67 72.925 -6.406 7.459 1.00 0.00 C ATOM 1027 O ASP C 67 74.027 -6.448 6.949 1.00 0.00 O ATOM 1028 CB ASP C 67 71.734 -7.874 5.799 1.00 0.00 C ATOM 1029 CG ASP C 67 70.900 -6.775 5.139 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.892 -5.672 5.659 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.283 -7.056 4.125 1.00 0.00 O ATOM 0 H ASP C 67 70.292 -6.189 7.493 1.00 0.00 H new ATOM 0 HA ASP C 67 72.314 -8.405 7.837 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.703 -7.955 5.307 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.238 -8.838 5.687 1.00 0.00 H new ATOM 1036 N GLY C 68 72.549 -5.386 8.181 1.00 0.00 N ATOM 1037 CA GLY C 68 73.475 -4.238 8.393 1.00 0.00 C ATOM 1038 C GLY C 68 74.062 -3.794 7.053 1.00 0.00 C ATOM 1039 O GLY C 68 75.138 -3.232 6.992 1.00 0.00 O ATOM 0 H GLY C 68 71.639 -5.298 8.634 1.00 0.00 H new ATOM 0 HA2 GLY C 68 72.942 -3.410 8.859 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.276 -4.525 9.074 1.00 0.00 H new ATOM 1043 N SER C 69 73.368 -4.039 5.976 1.00 0.00 N ATOM 1044 CA SER C 69 73.893 -3.627 4.643 1.00 0.00 C ATOM 1045 C SER C 69 73.618 -2.140 4.402 1.00 0.00 C ATOM 1046 O SER C 69 74.149 -1.541 3.489 1.00 0.00 O ATOM 1047 CB SER C 69 73.129 -4.484 3.634 1.00 0.00 C ATOM 1048 OG SER C 69 71.734 -4.360 3.875 1.00 0.00 O ATOM 0 H SER C 69 72.461 -4.506 5.961 1.00 0.00 H new ATOM 0 HA SER C 69 74.971 -3.767 4.563 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.364 -4.167 2.618 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.434 -5.527 3.721 1.00 0.00 H new ATOM 0 HG SER C 69 71.544 -4.571 4.813 1.00 0.00 H new ATOM 1054 N GLY C 70 72.793 -1.540 5.215 1.00 0.00 N ATOM 1055 CA GLY C 70 72.488 -0.092 5.033 1.00 0.00 C ATOM 1056 C GLY C 70 71.710 0.107 3.730 1.00 0.00 C ATOM 1057 O GLY C 70 71.556 1.214 3.251 1.00 0.00 O ATOM 0 H GLY C 70 72.317 -1.989 5.997 1.00 0.00 H new ATOM 0 HA2 GLY C 70 71.905 0.276 5.877 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.413 0.485 5.008 1.00 0.00 H new ATOM 1061 N THR C 71 71.218 -0.955 3.151 1.00 0.00 N ATOM 1062 CA THR C 71 70.450 -0.824 1.879 1.00 0.00 C ATOM 1063 C THR C 71 69.273 -1.805 1.864 1.00 0.00 C ATOM 1064 O THR C 71 69.203 -2.716 2.666 1.00 0.00 O ATOM 1065 CB THR C 71 71.449 -1.178 0.776 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.912 -2.508 0.970 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.633 -0.211 0.823 1.00 0.00 C ATOM 0 H THR C 71 71.315 -1.907 3.503 1.00 0.00 H new ATOM 0 HA THR C 71 70.034 0.175 1.752 1.00 0.00 H new ATOM 0 HB THR C 71 70.961 -1.099 -0.195 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.551 -2.738 0.264 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.343 -0.466 0.036 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.277 0.808 0.674 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.125 -0.285 1.793 1.00 0.00 H new ATOM 1075 N VAL C 72 68.353 -1.631 0.954 1.00 0.00 N ATOM 1076 CA VAL C 72 67.188 -2.561 0.885 1.00 0.00 C ATOM 1077 C VAL C 72 67.409 -3.588 -0.229 1.00 0.00 C ATOM 1078 O VAL C 72 68.099 -3.331 -1.196 1.00 0.00 O ATOM 1079 CB VAL C 72 65.977 -1.676 0.577 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.780 -2.560 0.217 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.634 -0.837 1.810 1.00 0.00 C ATOM 0 H VAL C 72 68.357 -0.887 0.256 1.00 0.00 H new ATOM 0 HA VAL C 72 67.047 -3.118 1.811 1.00 0.00 H new ATOM 0 HB VAL C 72 66.210 -1.018 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL C 72 63.917 -1.932 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.023 -3.162 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.547 -3.216 1.056 1.00 0.00 H new ATOM 0 HG21 VAL C 72 64.772 -0.206 1.593 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.399 -1.497 2.645 1.00 0.00 H new ATOM 0 HG23 VAL C 72 66.486 -0.209 2.072 1.00 0.00 H new ATOM 1091 N ASP C 73 66.837 -4.754 -0.096 1.00 0.00 N ATOM 1092 CA ASP C 73 67.023 -5.803 -1.142 1.00 0.00 C ATOM 1093 C ASP C 73 65.676 -6.374 -1.566 1.00 0.00 C ATOM 1094 O ASP C 73 65.605 -7.415 -2.190 1.00 0.00 O ATOM 1095 CB ASP C 73 67.854 -6.882 -0.461 1.00 0.00 C ATOM 1096 CG ASP C 73 68.657 -7.651 -1.511 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.048 -8.372 -2.285 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.868 -7.504 -1.526 1.00 0.00 O ATOM 0 H ASP C 73 66.249 -5.027 0.691 1.00 0.00 H new ATOM 0 HA ASP C 73 67.501 -5.410 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.527 -6.431 0.268 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.204 -7.565 0.086 1.00 0.00 H new ATOM 1103 N PHE C 74 64.613 -5.708 -1.206 1.00 0.00 N ATOM 1104 CA PHE C 74 63.233 -6.187 -1.549 1.00 0.00 C ATOM 1105 C PHE C 74 62.785 -7.253 -0.546 1.00 0.00 C ATOM 1106 O PHE C 74 61.608 -7.433 -0.304 1.00 0.00 O ATOM 1107 CB PHE C 74 63.312 -6.771 -2.962 1.00 0.00 C ATOM 1108 CG PHE C 74 61.939 -6.761 -3.590 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.155 -5.602 -3.542 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.451 -7.911 -4.222 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.882 -5.594 -4.126 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.180 -7.902 -4.806 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.395 -6.744 -4.758 1.00 0.00 C ATOM 0 H PHE C 74 64.638 -4.835 -0.679 1.00 0.00 H new ATOM 0 HA PHE C 74 62.507 -5.375 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.005 -6.189 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.699 -7.789 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.532 -4.715 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.056 -8.805 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.276 -4.701 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.804 -8.789 -5.294 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.414 -6.738 -5.209 1.00 0.00 H new ATOM 1123 N ASP C 75 63.712 -7.952 0.053 1.00 0.00 N ATOM 1124 CA ASP C 75 63.327 -8.990 1.051 1.00 0.00 C ATOM 1125 C ASP C 75 62.959 -8.307 2.368 1.00 0.00 C ATOM 1126 O ASP C 75 62.030 -8.697 3.046 1.00 0.00 O ATOM 1127 CB ASP C 75 64.571 -9.863 1.222 1.00 0.00 C ATOM 1128 CG ASP C 75 64.537 -11.003 0.203 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.491 -11.615 0.062 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.558 -11.244 -0.420 1.00 0.00 O ATOM 0 H ASP C 75 64.714 -7.849 -0.105 1.00 0.00 H new ATOM 0 HA ASP C 75 62.467 -9.582 0.737 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.471 -9.264 1.084 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.609 -10.266 2.234 1.00 0.00 H new ATOM 1135 N GLU C 76 63.675 -7.275 2.723 1.00 0.00 N ATOM 1136 CA GLU C 76 63.363 -6.547 3.983 1.00 0.00 C ATOM 1137 C GLU C 76 62.279 -5.503 3.704 1.00 0.00 C ATOM 1138 O GLU C 76 61.560 -5.083 4.589 1.00 0.00 O ATOM 1139 CB GLU C 76 64.676 -5.873 4.388 1.00 0.00 C ATOM 1140 CG GLU C 76 65.819 -6.889 4.309 1.00 0.00 C ATOM 1141 CD GLU C 76 67.160 -6.161 4.419 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.622 -5.654 3.410 1.00 0.00 O ATOM 1143 OE2 GLU C 76 67.704 -6.121 5.512 1.00 0.00 O ATOM 0 H GLU C 76 64.464 -6.905 2.193 1.00 0.00 H new ATOM 0 HA GLU C 76 62.992 -7.201 4.772 1.00 0.00 H new ATOM 0 HB2 GLU C 76 64.881 -5.028 3.731 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.597 -5.477 5.401 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.724 -7.621 5.111 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.767 -7.437 3.368 1.00 0.00 H new ATOM 1150 N PHE C 77 62.157 -5.090 2.470 1.00 0.00 N ATOM 1151 CA PHE C 77 61.120 -4.081 2.112 1.00 0.00 C ATOM 1152 C PHE C 77 59.727 -4.612 2.463 1.00 0.00 C ATOM 1153 O PHE C 77 58.958 -3.967 3.147 1.00 0.00 O ATOM 1154 CB PHE C 77 61.261 -3.903 0.598 1.00 0.00 C ATOM 1155 CG PHE C 77 60.262 -2.883 0.105 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.565 -1.518 0.173 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.036 -3.303 -0.424 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.641 -0.573 -0.289 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.112 -2.357 -0.885 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.415 -0.992 -0.817 1.00 0.00 C ATOM 0 H PHE C 77 62.734 -5.410 1.692 1.00 0.00 H new ATOM 0 HA PHE C 77 61.246 -3.141 2.650 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.273 -3.581 0.354 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.099 -4.856 0.094 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.511 -1.194 0.582 1.00 0.00 H new ATOM 0 HD2 PHE C 77 58.803 -4.356 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.875 0.480 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.166 -2.681 -1.293 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.702 -0.262 -1.172 1.00 0.00 H new ATOM 1170 N LEU C 78 59.398 -5.788 2.000 1.00 0.00 N ATOM 1171 CA LEU C 78 58.058 -6.366 2.306 1.00 0.00 C ATOM 1172 C LEU C 78 57.717 -6.160 3.785 1.00 0.00 C ATOM 1173 O LEU C 78 56.568 -6.039 4.157 1.00 0.00 O ATOM 1174 CB LEU C 78 58.191 -7.858 1.991 1.00 0.00 C ATOM 1175 CG LEU C 78 57.994 -8.086 0.492 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.185 -9.569 0.171 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.581 -7.658 0.093 1.00 0.00 C ATOM 0 H LEU C 78 60.001 -6.374 1.422 1.00 0.00 H new ATOM 0 HA LEU C 78 57.263 -5.894 1.728 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.173 -8.219 2.298 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.452 -8.426 2.556 1.00 0.00 H new ATOM 0 HG LEU C 78 58.724 -7.497 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.044 -9.731 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.191 -9.876 0.455 1.00 0.00 H new ATOM 0 HD13 LEU C 78 57.455 -10.158 0.726 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.440 -7.820 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU C 78 55.852 -8.247 0.649 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.443 -6.601 0.321 1.00 0.00 H new ATOM 1189 N VAL C 79 58.711 -6.121 4.629 1.00 0.00 N ATOM 1190 CA VAL C 79 58.448 -5.924 6.084 1.00 0.00 C ATOM 1191 C VAL C 79 58.127 -4.456 6.375 1.00 0.00 C ATOM 1192 O VAL C 79 57.307 -4.144 7.215 1.00 0.00 O ATOM 1193 CB VAL C 79 59.748 -6.332 6.777 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.657 -6.002 8.267 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.969 -7.836 6.602 1.00 0.00 C ATOM 0 H VAL C 79 59.694 -6.217 4.375 1.00 0.00 H new ATOM 0 HA VAL C 79 57.596 -6.508 6.430 1.00 0.00 H new ATOM 0 HB VAL C 79 60.582 -5.787 6.334 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.584 -6.293 8.761 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.499 -4.931 8.393 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.823 -6.547 8.710 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.896 -8.127 7.096 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.135 -8.380 7.045 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.034 -8.073 5.540 1.00 0.00 H new ATOM 1205 N MET C 80 58.770 -3.552 5.688 1.00 0.00 N ATOM 1206 CA MET C 80 58.507 -2.103 5.927 1.00 0.00 C ATOM 1207 C MET C 80 57.025 -1.785 5.713 1.00 0.00 C ATOM 1208 O MET C 80 56.445 -0.984 6.419 1.00 0.00 O ATOM 1209 CB MET C 80 59.364 -1.371 4.896 1.00 0.00 C ATOM 1210 CG MET C 80 59.862 -0.053 5.490 1.00 0.00 C ATOM 1211 SD MET C 80 61.244 0.570 4.501 1.00 0.00 S ATOM 1212 CE MET C 80 60.278 1.070 3.056 1.00 0.00 C ATOM 0 H MET C 80 59.467 -3.754 4.971 1.00 0.00 H new ATOM 0 HA MET C 80 58.749 -1.805 6.947 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.210 -1.993 4.603 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.782 -1.179 3.994 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.054 0.679 5.507 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.178 -0.203 6.522 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.886 1.708 2.415 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.970 0.184 2.500 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.395 1.619 3.381 1.00 0.00 H new ATOM 1222 N MET C 81 56.407 -2.402 4.743 1.00 0.00 N ATOM 1223 CA MET C 81 54.963 -2.125 4.487 1.00 0.00 C ATOM 1224 C MET C 81 54.093 -2.784 5.561 1.00 0.00 C ATOM 1225 O MET C 81 53.090 -2.241 5.979 1.00 0.00 O ATOM 1226 CB MET C 81 54.679 -2.734 3.115 1.00 0.00 C ATOM 1227 CG MET C 81 55.154 -1.772 2.025 1.00 0.00 C ATOM 1228 SD MET C 81 53.973 -0.408 1.868 1.00 0.00 S ATOM 1229 CE MET C 81 55.075 0.754 1.025 1.00 0.00 C ATOM 0 H MET C 81 56.837 -3.084 4.118 1.00 0.00 H new ATOM 0 HA MET C 81 54.739 -1.059 4.513 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.189 -3.692 3.017 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.612 -2.928 3.005 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.142 -1.385 2.272 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.246 -2.299 1.075 1.00 0.00 H new ATOM 0 HE1 MET C 81 54.541 1.683 0.827 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.939 0.960 1.657 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.409 0.320 0.083 1.00 0.00 H new ATOM 1239 N VAL C 82 54.468 -3.950 6.014 1.00 0.00 N ATOM 1240 CA VAL C 82 53.657 -4.634 7.062 1.00 0.00 C ATOM 1241 C VAL C 82 53.478 -3.712 8.270 1.00 0.00 C ATOM 1242 O VAL C 82 52.393 -3.564 8.797 1.00 0.00 O ATOM 1243 CB VAL C 82 54.469 -5.871 7.450 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.650 -6.738 8.408 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.800 -6.677 6.193 1.00 0.00 C ATOM 0 H VAL C 82 55.298 -4.457 5.705 1.00 0.00 H new ATOM 0 HA VAL C 82 52.660 -4.897 6.708 1.00 0.00 H new ATOM 0 HB VAL C 82 55.393 -5.561 7.938 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.228 -7.620 8.685 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.411 -6.165 9.304 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.727 -7.048 7.919 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.379 -7.559 6.468 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.876 -6.987 5.706 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.382 -6.060 5.508 1.00 0.00 H new ATOM 1255 N ARG C 83 54.537 -3.090 8.711 1.00 0.00 N ATOM 1256 CA ARG C 83 54.435 -2.176 9.885 1.00 0.00 C ATOM 1257 C ARG C 83 53.299 -1.170 9.677 1.00 0.00 C ATOM 1258 O ARG C 83 52.671 -0.725 10.618 1.00 0.00 O ATOM 1259 CB ARG C 83 55.784 -1.459 9.945 1.00 0.00 C ATOM 1260 CG ARG C 83 56.796 -2.334 10.689 1.00 0.00 C ATOM 1261 CD ARG C 83 58.088 -1.545 10.907 1.00 0.00 C ATOM 1262 NE ARG C 83 58.747 -2.201 12.071 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.896 -1.545 13.190 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.892 -1.426 14.014 1.00 0.00 N ATOM 1265 NH2 ARG C 83 60.050 -1.011 13.485 1.00 0.00 N ATOM 0 H ARG C 83 55.470 -3.175 8.309 1.00 0.00 H new ATOM 0 HA ARG C 83 54.217 -2.712 10.809 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.141 -1.249 8.937 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.676 -0.500 10.451 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.384 -2.650 11.647 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.002 -3.238 10.116 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.725 -1.578 10.023 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.880 -0.495 11.111 1.00 0.00 H new ATOM 0 HE ARG C 83 59.081 -3.162 11.994 1.00 0.00 H new ATOM 0 HH11 ARG C 83 56.991 -1.845 13.784 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.008 -0.914 14.888 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.835 -1.106 12.841 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.166 -0.499 14.359 1.00 0.00 H new ATOM 1279 N CYS C 84 53.030 -0.807 8.454 1.00 0.00 N ATOM 1280 CA CYS C 84 51.935 0.170 8.190 1.00 0.00 C ATOM 1281 C CYS C 84 50.571 -0.519 8.305 1.00 0.00 C ATOM 1282 O CYS C 84 49.538 0.100 8.145 1.00 0.00 O ATOM 1283 CB CYS C 84 52.171 0.655 6.760 1.00 0.00 C ATOM 1284 SG CYS C 84 51.096 2.069 6.416 1.00 0.00 S ATOM 0 H CYS C 84 53.520 -1.144 7.626 1.00 0.00 H new ATOM 0 HA CYS C 84 51.936 0.993 8.905 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.215 0.938 6.629 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.968 -0.150 6.054 1.00 0.00 H new ATOM 0 HG CYS C 84 49.942 1.886 6.987 1.00 0.00 H new ATOM 1290 N MET C 85 50.560 -1.794 8.579 1.00 0.00 N ATOM 1291 CA MET C 85 49.262 -2.518 8.703 1.00 0.00 C ATOM 1292 C MET C 85 49.386 -3.662 9.713 1.00 0.00 C ATOM 1293 O MET C 85 48.882 -4.748 9.502 1.00 0.00 O ATOM 1294 CB MET C 85 48.977 -3.064 7.303 1.00 0.00 C ATOM 1295 CG MET C 85 50.109 -4.001 6.877 1.00 0.00 C ATOM 1296 SD MET C 85 49.437 -5.329 5.849 1.00 0.00 S ATOM 1297 CE MET C 85 48.844 -4.288 4.493 1.00 0.00 C ATOM 0 H MET C 85 51.392 -2.366 8.722 1.00 0.00 H new ATOM 0 HA MET C 85 48.461 -1.870 9.058 1.00 0.00 H new ATOM 0 HB2 MET C 85 48.027 -3.599 7.297 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.885 -2.242 6.593 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.866 -3.446 6.324 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.599 -4.420 7.756 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.680 -4.902 3.608 1.00 0.00 H new ATOM 0 HE2 MET C 85 47.907 -3.812 4.783 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.587 -3.522 4.271 1.00 0.00 H new ATOM 1411 N SER I 3 53.788 6.278 3.270 1.00 0.00 N ATOM 1412 CA SER I 3 52.366 5.917 3.002 1.00 0.00 C ATOM 1413 C SER I 3 52.284 4.917 1.846 1.00 0.00 C ATOM 1414 O SER I 3 53.134 4.065 1.687 1.00 0.00 O ATOM 1415 CB SER I 3 51.689 7.232 2.621 1.00 0.00 C ATOM 1416 OG SER I 3 52.263 8.292 3.376 1.00 0.00 O ATOM 0 HA SER I 3 51.890 5.448 3.863 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.811 7.422 1.555 1.00 0.00 H new ATOM 0 HB3 SER I 3 50.618 7.172 2.813 1.00 0.00 H new ATOM 0 HG SER I 3 53.220 8.123 3.502 1.00 0.00 H new ATOM 1422 N ALA I 4 51.265 5.016 1.037 1.00 0.00 N ATOM 1423 CA ALA I 4 51.128 4.073 -0.110 1.00 0.00 C ATOM 1424 C ALA I 4 50.331 4.731 -1.240 1.00 0.00 C ATOM 1425 O ALA I 4 50.700 4.658 -2.397 1.00 0.00 O ATOM 1426 CB ALA I 4 50.371 2.870 0.453 1.00 0.00 C ATOM 0 H ALA I 4 50.521 5.709 1.120 1.00 0.00 H new ATOM 0 HA ALA I 4 52.093 3.786 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.230 2.128 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA I 4 50.944 2.429 1.269 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.399 3.193 0.825 1.00 0.00 H new ATOM 1432 N ASP I 5 49.244 5.375 -0.916 1.00 0.00 N ATOM 1433 CA ASP I 5 48.427 6.039 -1.973 1.00 0.00 C ATOM 1434 C ASP I 5 49.084 7.355 -2.397 1.00 0.00 C ATOM 1435 O ASP I 5 49.051 7.732 -3.552 1.00 0.00 O ATOM 1436 CB ASP I 5 47.071 6.304 -1.317 1.00 0.00 C ATOM 1437 CG ASP I 5 46.476 4.986 -0.823 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.872 4.542 0.243 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.634 4.441 -1.517 1.00 0.00 O ATOM 0 H ASP I 5 48.885 5.471 0.034 1.00 0.00 H new ATOM 0 HA ASP I 5 48.333 5.426 -2.870 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.188 6.997 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.396 6.775 -2.031 1.00 0.00 H new ATOM 1444 N ALA I 6 49.681 8.055 -1.472 1.00 0.00 N ATOM 1445 CA ALA I 6 50.341 9.346 -1.822 1.00 0.00 C ATOM 1446 C ALA I 6 51.567 9.089 -2.699 1.00 0.00 C ATOM 1447 O ALA I 6 51.899 9.875 -3.565 1.00 0.00 O ATOM 1448 CB ALA I 6 50.760 9.953 -0.483 1.00 0.00 C ATOM 0 H ALA I 6 49.741 7.790 -0.489 1.00 0.00 H new ATOM 0 HA ALA I 6 49.681 10.009 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.255 10.909 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.878 10.108 0.138 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.447 9.275 0.025 1.00 0.00 H new ATOM 1454 N MET I 7 52.245 7.996 -2.479 1.00 0.00 N ATOM 1455 CA MET I 7 53.451 7.691 -3.299 1.00 0.00 C ATOM 1456 C MET I 7 53.042 7.323 -4.727 1.00 0.00 C ATOM 1457 O MET I 7 53.552 7.863 -5.688 1.00 0.00 O ATOM 1458 CB MET I 7 54.112 6.500 -2.603 1.00 0.00 C ATOM 1459 CG MET I 7 55.457 6.200 -3.267 1.00 0.00 C ATOM 1460 SD MET I 7 56.225 4.777 -2.454 1.00 0.00 S ATOM 1461 CE MET I 7 56.474 3.777 -3.941 1.00 0.00 C ATOM 0 H MET I 7 52.016 7.302 -1.768 1.00 0.00 H new ATOM 0 HA MET I 7 54.126 8.544 -3.375 1.00 0.00 H new ATOM 0 HB2 MET I 7 54.258 6.719 -1.545 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.463 5.626 -2.661 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.313 5.993 -4.327 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.111 7.069 -3.198 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.007 2.801 -3.806 1.00 0.00 H new ATOM 0 HE2 MET I 7 56.023 4.279 -4.797 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.542 3.647 -4.117 1.00 0.00 H new ATOM 1471 N MET I 8 52.123 6.408 -4.875 1.00 0.00 N ATOM 1472 CA MET I 8 51.685 6.008 -6.243 1.00 0.00 C ATOM 1473 C MET I 8 51.066 7.204 -6.971 1.00 0.00 C ATOM 1474 O MET I 8 50.873 7.181 -8.169 1.00 0.00 O ATOM 1475 CB MET I 8 50.639 4.915 -6.024 1.00 0.00 C ATOM 1476 CG MET I 8 51.305 3.541 -6.133 1.00 0.00 C ATOM 1477 SD MET I 8 51.762 2.959 -4.482 1.00 0.00 S ATOM 1478 CE MET I 8 53.483 3.520 -4.513 1.00 0.00 C ATOM 0 H MET I 8 51.657 5.921 -4.109 1.00 0.00 H new ATOM 0 HA MET I 8 52.516 5.658 -6.855 1.00 0.00 H new ATOM 0 HB2 MET I 8 50.177 5.030 -5.043 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.843 5.005 -6.764 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.625 2.832 -6.605 1.00 0.00 H new ATOM 0 HG3 MET I 8 52.190 3.603 -6.766 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.872 3.557 -3.495 1.00 0.00 H new ATOM 0 HE2 MET I 8 54.081 2.827 -5.105 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.534 4.514 -4.957 1.00 0.00 H new ATOM 1488 N GLN I 9 50.754 8.250 -6.256 1.00 0.00 N ATOM 1489 CA GLN I 9 50.151 9.444 -6.913 1.00 0.00 C ATOM 1490 C GLN I 9 51.244 10.284 -7.579 1.00 0.00 C ATOM 1491 O GLN I 9 51.195 10.559 -8.762 1.00 0.00 O ATOM 1492 CB GLN I 9 49.487 10.225 -5.778 1.00 0.00 C ATOM 1493 CG GLN I 9 48.038 10.539 -6.152 1.00 0.00 C ATOM 1494 CD GLN I 9 47.231 10.818 -4.883 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.756 11.338 -3.917 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.968 10.491 -4.840 1.00 0.00 N ATOM 0 H GLN I 9 50.890 8.330 -5.248 1.00 0.00 H new ATOM 0 HA GLN I 9 49.438 9.175 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.518 9.644 -4.856 1.00 0.00 H new ATOM 0 HB3 GLN I 9 50.033 11.149 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN I 9 48.002 11.403 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.602 9.701 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.526 10.055 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN I 9 45.423 10.672 -3.997 1.00 0.00 H new ATOM 1505 N ALA I 10 52.233 10.686 -6.832 1.00 0.00 N ATOM 1506 CA ALA I 10 53.334 11.499 -7.423 1.00 0.00 C ATOM 1507 C ALA I 10 54.392 10.579 -8.033 1.00 0.00 C ATOM 1508 O ALA I 10 54.903 10.823 -9.108 1.00 0.00 O ATOM 1509 CB ALA I 10 53.928 12.277 -6.248 1.00 0.00 C ATOM 0 H ALA I 10 52.328 10.487 -5.836 1.00 0.00 H new ATOM 0 HA ALA I 10 52.980 12.159 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.748 12.902 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.158 12.907 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.302 11.578 -5.500 1.00 0.00 H new ATOM 1515 N LEU I 11 54.726 9.526 -7.342 1.00 0.00 N ATOM 1516 CA LEU I 11 55.754 8.580 -7.857 1.00 0.00 C ATOM 1517 C LEU I 11 55.192 7.752 -9.014 1.00 0.00 C ATOM 1518 O LEU I 11 55.587 7.910 -10.153 1.00 0.00 O ATOM 1519 CB LEU I 11 56.069 7.680 -6.663 1.00 0.00 C ATOM 1520 CG LEU I 11 57.572 7.411 -6.592 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.866 6.478 -5.414 1.00 0.00 C ATOM 1522 CD2 LEU I 11 58.037 6.752 -7.891 1.00 0.00 C ATOM 0 H LEU I 11 54.328 9.278 -6.436 1.00 0.00 H new ATOM 0 HA LEU I 11 56.636 9.093 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.732 8.154 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.527 6.739 -6.754 1.00 0.00 H new ATOM 0 HG LEU I 11 58.103 8.353 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.937 6.285 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.536 6.947 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.334 5.537 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU I 11 59.109 6.561 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.507 5.810 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU I 11 57.827 7.415 -8.731 1.00 0.00 H new ATOM 1534 N LEU I 12 54.279 6.864 -8.732 1.00 0.00 N ATOM 1535 CA LEU I 12 53.701 6.021 -9.816 1.00 0.00 C ATOM 1536 C LEU I 12 52.307 6.526 -10.199 1.00 0.00 C ATOM 1537 O LEU I 12 51.354 5.774 -10.242 1.00 0.00 O ATOM 1538 CB LEU I 12 53.617 4.610 -9.220 1.00 0.00 C ATOM 1539 CG LEU I 12 55.011 4.105 -8.805 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.092 4.670 -9.734 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.306 4.539 -7.365 1.00 0.00 C ATOM 0 H LEU I 12 53.908 6.686 -7.799 1.00 0.00 H new ATOM 0 HA LEU I 12 54.305 6.046 -10.723 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.955 4.616 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.181 3.928 -9.950 1.00 0.00 H new ATOM 0 HG LEU I 12 55.020 3.017 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.069 4.300 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.894 4.353 -10.758 1.00 0.00 H new ATOM 0 HD13 LEU I 12 56.083 5.759 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.293 4.181 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.281 5.627 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.554 4.118 -6.697 1.00 0.00 H new