USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl 154:sc= -2.74! (180deg=-5.2!) USER MOD Set 1.2: A 80 MET CE :methyl -170:sc= -1.85 (180deg=-1.97) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 16 GLN : amide:sc= -0.259 K(o=-0.26,f=-3.7) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= -0.062 (180deg=-0.0779) USER MOD Single : A 18 ASN : amide:sc= 0.0747 X(o=0.075,f=-0.023) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 68:sc= -0.315 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.587 USER MOD Single : A 58 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.048) USER MOD Single : A 60 MET CE :methyl -174:sc= 0 (180deg=-0.0284) USER MOD Single : A 69 SER OG : rot 180:sc= 0.027 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 64:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.749 -4.183 -17.798 1.00 0.00 N ATOM 47 CA ILE A 4 8.651 -5.062 -17.388 1.00 0.00 C ATOM 48 C ILE A 4 7.353 -4.265 -17.235 1.00 0.00 C ATOM 49 O ILE A 4 6.261 -4.811 -17.383 1.00 0.00 O ATOM 50 CB ILE A 4 8.976 -5.780 -16.066 1.00 0.00 C ATOM 51 CG1 ILE A 4 9.027 -4.773 -14.905 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.332 -6.484 -16.190 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.622 -4.567 -14.334 1.00 0.00 C ATOM 0 HA ILE A 4 8.522 -5.813 -18.167 1.00 0.00 H new ATOM 0 HB ILE A 4 8.195 -6.512 -15.862 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.696 -5.137 -14.125 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.431 -3.822 -15.254 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.564 -6.993 -15.255 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.291 -7.213 -17.000 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.106 -5.747 -16.404 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.665 -3.853 -13.512 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.965 -4.183 -15.114 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.235 -5.518 -13.969 1.00 0.00 H new ATOM 65 N TYR A 5 7.490 -2.965 -16.940 1.00 0.00 N ATOM 66 CA TYR A 5 6.324 -2.092 -16.774 1.00 0.00 C ATOM 67 C TYR A 5 5.599 -1.909 -18.105 1.00 0.00 C ATOM 68 O TYR A 5 4.378 -1.758 -18.142 1.00 0.00 O ATOM 69 CB TYR A 5 6.755 -0.720 -16.248 1.00 0.00 C ATOM 70 CG TYR A 5 7.387 -0.882 -14.887 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.589 -1.184 -13.780 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.771 -0.731 -14.732 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.170 -1.335 -12.515 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.354 -0.885 -13.470 1.00 0.00 C ATOM 75 CZ TYR A 5 8.553 -1.185 -12.361 1.00 0.00 C ATOM 76 OH TYR A 5 9.129 -1.336 -11.114 1.00 0.00 O ATOM 0 H TYR A 5 8.389 -2.500 -16.813 1.00 0.00 H new ATOM 0 HA TYR A 5 5.651 -2.562 -16.057 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.463 -0.260 -16.937 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.893 -0.055 -16.185 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.522 -1.301 -13.901 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.388 -0.496 -15.587 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.552 -1.567 -11.660 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.421 -0.773 -13.351 1.00 0.00 H new ATOM 0 HH TYR A 5 10.097 -1.200 -11.182 1.00 0.00 H new ATOM 86 N LYS A 6 6.367 -1.941 -19.197 1.00 0.00 N ATOM 87 CA LYS A 6 5.791 -1.793 -20.538 1.00 0.00 C ATOM 88 C LYS A 6 5.148 -3.107 -20.968 1.00 0.00 C ATOM 89 O LYS A 6 4.094 -3.123 -21.607 1.00 0.00 O ATOM 90 CB LYS A 6 6.867 -1.402 -21.563 1.00 0.00 C ATOM 91 CG LYS A 6 7.776 -0.307 -20.989 1.00 0.00 C ATOM 92 CD LYS A 6 6.929 0.782 -20.322 1.00 0.00 C ATOM 93 CE LYS A 6 7.834 1.697 -19.492 1.00 0.00 C ATOM 94 NZ LYS A 6 7.157 3.008 -19.277 1.00 0.00 N ATOM 0 H LYS A 6 7.379 -2.067 -19.181 1.00 0.00 H new ATOM 0 HA LYS A 6 5.042 -1.002 -20.499 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.462 -2.276 -21.828 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.395 -1.049 -22.480 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.465 -0.739 -20.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.382 0.128 -21.784 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.403 1.363 -21.079 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.170 0.328 -19.685 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.058 1.230 -18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.785 1.847 -20.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.773 3.628 -18.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.964 3.454 -20.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.261 2.857 -18.771 1.00 0.00 H new ATOM 108 N ALA A 7 5.796 -4.208 -20.592 1.00 0.00 N ATOM 109 CA ALA A 7 5.289 -5.540 -20.916 1.00 0.00 C ATOM 110 C ALA A 7 4.090 -5.900 -20.028 1.00 0.00 C ATOM 111 O ALA A 7 3.235 -6.692 -20.421 1.00 0.00 O ATOM 112 CB ALA A 7 6.385 -6.588 -20.717 1.00 0.00 C ATOM 0 H ALA A 7 6.669 -4.205 -20.065 1.00 0.00 H new ATOM 0 HA ALA A 7 4.973 -5.531 -21.959 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.993 -7.575 -20.962 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.229 -6.360 -21.369 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.715 -6.576 -19.678 1.00 0.00 H new ATOM 118 N ALA A 8 4.040 -5.311 -18.823 1.00 0.00 N ATOM 119 CA ALA A 8 2.950 -5.580 -17.885 1.00 0.00 C ATOM 120 C ALA A 8 1.756 -4.655 -18.136 1.00 0.00 C ATOM 121 O ALA A 8 0.605 -5.060 -17.957 1.00 0.00 O ATOM 122 CB ALA A 8 3.428 -5.388 -16.445 1.00 0.00 C ATOM 0 H ALA A 8 4.738 -4.651 -18.481 1.00 0.00 H new ATOM 0 HA ALA A 8 2.636 -6.612 -18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.606 -5.592 -15.759 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.250 -6.074 -16.240 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.769 -4.362 -16.309 1.00 0.00 H new ATOM 128 N VAL A 9 2.034 -3.411 -18.551 1.00 0.00 N ATOM 129 CA VAL A 9 0.959 -2.448 -18.818 1.00 0.00 C ATOM 130 C VAL A 9 0.056 -2.931 -19.964 1.00 0.00 C ATOM 131 O VAL A 9 -1.115 -2.564 -20.037 1.00 0.00 O ATOM 132 CB VAL A 9 1.537 -1.061 -19.153 1.00 0.00 C ATOM 133 CG1 VAL A 9 2.000 -1.007 -20.613 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.462 0.005 -18.922 1.00 0.00 C ATOM 0 H VAL A 9 2.977 -3.053 -18.707 1.00 0.00 H new ATOM 0 HA VAL A 9 0.357 -2.368 -17.913 1.00 0.00 H new ATOM 0 HB VAL A 9 2.395 -0.873 -18.507 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.405 -0.019 -20.830 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.771 -1.760 -20.778 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.153 -1.204 -21.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.868 0.989 -19.158 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.395 -0.198 -19.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.147 -0.016 -17.879 1.00 0.00 H new ATOM 144 N GLU A 10 0.612 -3.761 -20.852 1.00 0.00 N ATOM 145 CA GLU A 10 -0.158 -4.294 -21.977 1.00 0.00 C ATOM 146 C GLU A 10 -0.925 -5.566 -21.580 1.00 0.00 C ATOM 147 O GLU A 10 -1.758 -6.058 -22.346 1.00 0.00 O ATOM 148 CB GLU A 10 0.774 -4.618 -23.151 1.00 0.00 C ATOM 149 CG GLU A 10 1.463 -3.336 -23.636 1.00 0.00 C ATOM 150 CD GLU A 10 0.425 -2.370 -24.202 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.045 -2.610 -25.303 1.00 0.00 O ATOM 152 OE2 GLU A 10 0.116 -1.401 -23.526 1.00 0.00 O ATOM 0 H GLU A 10 1.582 -4.075 -20.814 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.877 -3.530 -22.273 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.521 -5.349 -22.843 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.206 -5.067 -23.966 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.998 -2.866 -22.811 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.203 -3.577 -24.399 1.00 0.00 H new ATOM 159 N GLN A 11 -0.625 -6.108 -20.388 1.00 0.00 N ATOM 160 CA GLN A 11 -1.278 -7.335 -19.920 1.00 0.00 C ATOM 161 C GLN A 11 -2.392 -7.050 -18.909 1.00 0.00 C ATOM 162 O GLN A 11 -3.323 -7.848 -18.772 1.00 0.00 O ATOM 163 CB GLN A 11 -0.251 -8.262 -19.263 1.00 0.00 C ATOM 164 CG GLN A 11 0.929 -8.478 -20.213 1.00 0.00 C ATOM 165 CD GLN A 11 0.564 -9.526 -21.263 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.654 -10.726 -21.007 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.155 -9.138 -22.442 1.00 0.00 N ATOM 0 H GLN A 11 0.059 -5.718 -19.739 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.720 -7.810 -20.796 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.098 -7.828 -18.326 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.714 -9.218 -19.018 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.192 -7.539 -20.700 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.805 -8.803 -19.651 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.080 -8.143 -22.654 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.090 -9.830 -23.150 1.00 0.00 H new ATOM 176 N LEU A 12 -2.293 -5.922 -18.195 1.00 0.00 N ATOM 177 CA LEU A 12 -3.309 -5.574 -17.194 1.00 0.00 C ATOM 178 C LEU A 12 -4.682 -5.410 -17.851 1.00 0.00 C ATOM 179 O LEU A 12 -4.788 -5.181 -19.059 1.00 0.00 O ATOM 180 CB LEU A 12 -2.945 -4.281 -16.442 1.00 0.00 C ATOM 181 CG LEU A 12 -2.334 -3.157 -17.288 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.331 -2.724 -18.363 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.005 -1.963 -16.389 1.00 0.00 C ATOM 0 H LEU A 12 -1.535 -5.246 -18.288 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.346 -6.393 -16.476 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.846 -3.898 -15.962 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.243 -4.533 -15.647 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.422 -3.518 -17.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.895 -1.925 -18.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.566 -3.573 -19.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.244 -2.364 -17.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.571 -1.164 -16.990 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.917 -1.604 -15.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.292 -2.270 -15.623 1.00 0.00 H new ATOM 195 N THR A 13 -5.730 -5.541 -17.039 1.00 0.00 N ATOM 196 CA THR A 13 -7.103 -5.417 -17.539 1.00 0.00 C ATOM 197 C THR A 13 -7.747 -4.124 -17.044 1.00 0.00 C ATOM 198 O THR A 13 -7.227 -3.452 -16.153 1.00 0.00 O ATOM 199 CB THR A 13 -7.960 -6.609 -17.081 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.454 -7.125 -15.854 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.927 -7.703 -18.152 1.00 0.00 C ATOM 0 H THR A 13 -5.659 -5.731 -16.039 1.00 0.00 H new ATOM 0 HA THR A 13 -7.055 -5.402 -18.628 1.00 0.00 H new ATOM 0 HB THR A 13 -8.988 -6.277 -16.932 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.005 -7.883 -15.566 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.534 -8.548 -17.828 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.324 -7.309 -19.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.899 -8.032 -18.304 1.00 0.00 H new ATOM 209 N ASP A 14 -8.901 -3.794 -17.629 1.00 0.00 N ATOM 210 CA ASP A 14 -9.633 -2.588 -17.236 1.00 0.00 C ATOM 211 C ASP A 14 -10.193 -2.750 -15.823 1.00 0.00 C ATOM 212 O ASP A 14 -10.313 -1.780 -15.075 1.00 0.00 O ATOM 213 CB ASP A 14 -10.792 -2.319 -18.203 1.00 0.00 C ATOM 214 CG ASP A 14 -10.239 -1.934 -19.574 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.938 -0.767 -19.764 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.121 -2.814 -20.413 1.00 0.00 O ATOM 0 H ASP A 14 -9.345 -4.338 -18.369 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.939 -1.748 -17.264 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.420 -3.206 -18.289 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.423 -1.518 -17.816 1.00 0.00 H new ATOM 221 N GLU A 15 -10.527 -3.997 -15.471 1.00 0.00 N ATOM 222 CA GLU A 15 -11.071 -4.306 -14.149 1.00 0.00 C ATOM 223 C GLU A 15 -10.050 -4.012 -13.046 1.00 0.00 C ATOM 224 O GLU A 15 -10.400 -3.488 -11.988 1.00 0.00 O ATOM 225 CB GLU A 15 -11.489 -5.781 -14.082 1.00 0.00 C ATOM 226 CG GLU A 15 -10.256 -6.693 -14.127 1.00 0.00 C ATOM 227 CD GLU A 15 -10.666 -8.095 -14.568 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.157 -8.838 -13.732 1.00 0.00 O ATOM 229 OE2 GLU A 15 -10.478 -8.406 -15.734 1.00 0.00 O ATOM 0 H GLU A 15 -10.429 -4.806 -16.085 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.943 -3.671 -13.990 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.051 -5.964 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.152 -6.015 -14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.517 -6.286 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.786 -6.734 -13.144 1.00 0.00 H new ATOM 236 N GLN A 16 -8.782 -4.353 -13.308 1.00 0.00 N ATOM 237 CA GLN A 16 -7.717 -4.116 -12.327 1.00 0.00 C ATOM 238 C GLN A 16 -7.572 -2.618 -12.034 1.00 0.00 C ATOM 239 O GLN A 16 -7.259 -2.224 -10.910 1.00 0.00 O ATOM 240 CB GLN A 16 -6.372 -4.703 -12.811 1.00 0.00 C ATOM 241 CG GLN A 16 -5.646 -3.731 -13.756 1.00 0.00 C ATOM 242 CD GLN A 16 -4.515 -3.030 -13.007 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.698 -1.936 -12.472 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.340 -3.599 -12.936 1.00 0.00 N ATOM 0 H GLN A 16 -8.472 -4.787 -14.177 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.996 -4.624 -11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.737 -4.920 -11.952 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.549 -5.648 -13.324 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.246 -4.273 -14.613 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.349 -2.994 -14.145 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.185 -4.505 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.579 -3.137 -12.439 1.00 0.00 H new ATOM 253 N LYS A 17 -7.825 -1.787 -13.054 1.00 0.00 N ATOM 254 CA LYS A 17 -7.741 -0.337 -12.889 1.00 0.00 C ATOM 255 C LYS A 17 -9.031 0.199 -12.264 1.00 0.00 C ATOM 256 O LYS A 17 -9.007 1.162 -11.499 1.00 0.00 O ATOM 257 CB LYS A 17 -7.511 0.353 -14.238 1.00 0.00 C ATOM 258 CG LYS A 17 -6.005 0.515 -14.478 1.00 0.00 C ATOM 259 CD LYS A 17 -5.534 -0.507 -15.518 1.00 0.00 C ATOM 260 CE LYS A 17 -5.457 0.157 -16.896 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.800 0.125 -17.547 1.00 0.00 N ATOM 0 H LYS A 17 -8.087 -2.093 -13.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.898 -0.122 -12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.957 -0.235 -15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.999 1.328 -14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.789 1.526 -14.824 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.461 0.375 -13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.557 -0.901 -15.238 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.222 -1.352 -15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.116 1.187 -16.795 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.728 -0.361 -17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.755 0.621 -18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.086 -0.862 -17.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.495 0.594 -16.932 1.00 0.00 H new ATOM 275 N ASN A 18 -10.157 -0.449 -12.594 1.00 0.00 N ATOM 276 CA ASN A 18 -11.458 -0.046 -12.053 1.00 0.00 C ATOM 277 C ASN A 18 -11.479 -0.224 -10.532 1.00 0.00 C ATOM 278 O ASN A 18 -11.969 0.643 -9.803 1.00 0.00 O ATOM 279 CB ASN A 18 -12.580 -0.890 -12.671 1.00 0.00 C ATOM 280 CG ASN A 18 -13.219 -0.125 -13.827 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.873 0.896 -13.617 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.070 -0.562 -15.049 1.00 0.00 N ATOM 0 H ASN A 18 -10.191 -1.248 -13.228 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.617 1.004 -12.300 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.181 -1.840 -13.027 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.331 -1.123 -11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.495 -0.057 -15.827 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.528 -1.408 -15.226 1.00 0.00 H new ATOM 289 N GLU A 19 -10.930 -1.351 -10.064 1.00 0.00 N ATOM 290 CA GLU A 19 -10.874 -1.631 -8.627 1.00 0.00 C ATOM 291 C GLU A 19 -9.863 -0.707 -7.954 1.00 0.00 C ATOM 292 O GLU A 19 -10.119 -0.161 -6.881 1.00 0.00 O ATOM 293 CB GLU A 19 -10.461 -3.084 -8.367 1.00 0.00 C ATOM 294 CG GLU A 19 -11.457 -4.034 -9.036 1.00 0.00 C ATOM 295 CD GLU A 19 -12.695 -4.184 -8.156 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.650 -4.982 -7.233 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.671 -3.499 -8.417 1.00 0.00 O ATOM 0 H GLU A 19 -10.522 -2.077 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.869 -1.463 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.458 -3.262 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.426 -3.275 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.740 -3.649 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.994 -5.007 -9.198 1.00 0.00 H new ATOM 304 N PHE A 20 -8.710 -0.541 -8.607 1.00 0.00 N ATOM 305 CA PHE A 20 -7.646 0.321 -8.085 1.00 0.00 C ATOM 306 C PHE A 20 -8.125 1.769 -7.963 1.00 0.00 C ATOM 307 O PHE A 20 -7.846 2.441 -6.971 1.00 0.00 O ATOM 308 CB PHE A 20 -6.423 0.284 -9.013 1.00 0.00 C ATOM 309 CG PHE A 20 -5.559 -0.927 -8.722 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.053 -2.003 -7.970 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.252 -0.969 -9.217 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.240 -3.111 -7.716 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.440 -2.076 -8.965 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.933 -3.149 -8.213 1.00 0.00 C ATOM 0 H PHE A 20 -8.490 -0.991 -9.496 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.374 -0.053 -7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.751 0.260 -10.052 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.836 1.194 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.062 -1.975 -7.587 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.869 -0.142 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.621 -3.938 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.431 -2.105 -9.350 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.305 -4.005 -8.017 1.00 0.00 H new ATOM 324 N LYS A 21 -8.847 2.239 -8.988 1.00 0.00 N ATOM 325 CA LYS A 21 -9.360 3.613 -8.997 1.00 0.00 C ATOM 326 C LYS A 21 -10.344 3.833 -7.850 1.00 0.00 C ATOM 327 O LYS A 21 -10.243 4.818 -7.119 1.00 0.00 O ATOM 328 CB LYS A 21 -10.060 3.920 -10.329 1.00 0.00 C ATOM 329 CG LYS A 21 -10.485 5.394 -10.370 1.00 0.00 C ATOM 330 CD LYS A 21 -9.260 6.293 -10.170 1.00 0.00 C ATOM 331 CE LYS A 21 -9.582 7.715 -10.639 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.314 7.832 -12.103 1.00 0.00 N ATOM 0 H LYS A 21 -9.087 1.693 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.510 4.284 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.389 3.703 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.933 3.278 -10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.960 5.619 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.223 5.591 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.972 6.303 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.412 5.898 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.626 7.950 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.977 8.436 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.533 8.798 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.312 7.625 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.910 7.154 -12.620 1.00 0.00 H new ATOM 346 N ALA A 22 -11.292 2.906 -7.697 1.00 0.00 N ATOM 347 CA ALA A 22 -12.285 3.011 -6.626 1.00 0.00 C ATOM 348 C ALA A 22 -11.609 2.893 -5.261 1.00 0.00 C ATOM 349 O ALA A 22 -11.895 3.666 -4.348 1.00 0.00 O ATOM 350 CB ALA A 22 -13.343 1.913 -6.759 1.00 0.00 C ATOM 0 H ALA A 22 -11.393 2.084 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.768 3.985 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.071 2.010 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.850 2.010 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.863 0.936 -6.699 1.00 0.00 H new ATOM 356 N ALA A 23 -10.698 1.920 -5.139 1.00 0.00 N ATOM 357 CA ALA A 23 -9.968 1.701 -3.885 1.00 0.00 C ATOM 358 C ALA A 23 -9.099 2.914 -3.535 1.00 0.00 C ATOM 359 O ALA A 23 -8.805 3.161 -2.364 1.00 0.00 O ATOM 360 CB ALA A 23 -9.072 0.464 -3.994 1.00 0.00 C ATOM 0 H ALA A 23 -10.450 1.275 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.707 1.551 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.538 0.317 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.685 -0.412 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.353 0.605 -4.801 1.00 0.00 H new ATOM 366 N PHE A 24 -8.694 3.671 -4.560 1.00 0.00 N ATOM 367 CA PHE A 24 -7.868 4.857 -4.350 1.00 0.00 C ATOM 368 C PHE A 24 -8.749 6.061 -4.013 1.00 0.00 C ATOM 369 O PHE A 24 -8.533 6.734 -3.009 1.00 0.00 O ATOM 370 CB PHE A 24 -7.052 5.169 -5.614 1.00 0.00 C ATOM 371 CG PHE A 24 -5.811 5.960 -5.255 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.652 5.294 -4.837 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.819 7.358 -5.348 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.503 6.026 -4.511 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.669 8.088 -5.021 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.513 7.422 -4.603 1.00 0.00 C ATOM 0 H PHE A 24 -8.924 3.483 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.189 4.659 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.769 4.241 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.662 5.735 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.644 4.216 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.712 7.873 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.609 5.513 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.675 9.166 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.627 7.986 -4.351 1.00 0.00 H new ATOM 386 N ASP A 25 -9.742 6.320 -4.874 1.00 0.00 N ATOM 387 CA ASP A 25 -10.655 7.455 -4.688 1.00 0.00 C ATOM 388 C ASP A 25 -11.312 7.457 -3.303 1.00 0.00 C ATOM 389 O ASP A 25 -11.452 8.516 -2.686 1.00 0.00 O ATOM 390 CB ASP A 25 -11.756 7.437 -5.755 1.00 0.00 C ATOM 391 CG ASP A 25 -12.394 8.820 -5.861 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.877 9.634 -6.609 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.389 9.045 -5.190 1.00 0.00 O ATOM 0 H ASP A 25 -9.933 5.760 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.050 8.357 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.337 7.144 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.513 6.696 -5.498 1.00 0.00 H new ATOM 398 N ILE A 26 -11.722 6.277 -2.821 1.00 0.00 N ATOM 399 CA ILE A 26 -12.370 6.184 -1.503 1.00 0.00 C ATOM 400 C ILE A 26 -11.463 6.745 -0.402 1.00 0.00 C ATOM 401 O ILE A 26 -11.942 7.330 0.572 1.00 0.00 O ATOM 402 CB ILE A 26 -12.739 4.732 -1.166 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.485 3.851 -1.232 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.785 4.225 -2.166 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.842 2.408 -0.870 1.00 0.00 C ATOM 0 H ILE A 26 -11.620 5.388 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.282 6.779 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.153 4.687 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.056 3.888 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.727 4.230 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.047 3.194 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.677 4.849 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.376 4.271 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.947 1.788 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.250 2.377 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.584 2.029 -1.573 1.00 0.00 H new ATOM 417 N PHE A 27 -10.149 6.568 -0.572 1.00 0.00 N ATOM 418 CA PHE A 27 -9.178 7.063 0.407 1.00 0.00 C ATOM 419 C PHE A 27 -8.776 8.514 0.105 1.00 0.00 C ATOM 420 O PHE A 27 -8.397 9.260 1.009 1.00 0.00 O ATOM 421 CB PHE A 27 -7.923 6.184 0.409 1.00 0.00 C ATOM 422 CG PHE A 27 -8.129 5.015 1.345 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.813 5.141 2.703 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.642 3.808 0.855 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.008 4.061 3.570 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.838 2.727 1.722 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.521 2.853 3.080 1.00 0.00 C ATOM 0 H PHE A 27 -9.736 6.089 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.653 7.025 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.716 5.825 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.058 6.767 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.419 6.072 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.887 3.711 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.763 4.158 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.234 1.796 1.344 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.672 2.019 3.750 1.00 0.00 H new ATOM 437 N ILE A 28 -8.862 8.907 -1.176 1.00 0.00 N ATOM 438 CA ILE A 28 -8.501 10.275 -1.580 1.00 0.00 C ATOM 439 C ILE A 28 -9.728 11.201 -1.556 1.00 0.00 C ATOM 440 O ILE A 28 -9.738 12.252 -2.200 1.00 0.00 O ATOM 441 CB ILE A 28 -7.888 10.276 -2.995 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.812 9.191 -3.124 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.237 11.629 -3.294 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.040 9.037 -1.808 1.00 0.00 C ATOM 0 H ILE A 28 -9.174 8.307 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.766 10.647 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.695 10.082 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.275 8.242 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.123 9.449 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.809 11.613 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.989 12.416 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.449 11.822 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.281 8.263 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.559 9.982 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.730 8.757 -1.012 1.00 0.00 H new ATOM 456 N GLN A 29 -10.756 10.814 -0.791 1.00 0.00 N ATOM 457 CA GLN A 29 -11.969 11.635 -0.683 1.00 0.00 C ATOM 458 C GLN A 29 -11.639 12.998 -0.065 1.00 0.00 C ATOM 459 O GLN A 29 -12.265 14.009 -0.391 1.00 0.00 O ATOM 460 CB GLN A 29 -13.039 10.934 0.169 1.00 0.00 C ATOM 461 CG GLN A 29 -12.449 10.497 1.516 1.00 0.00 C ATOM 462 CD GLN A 29 -13.539 10.522 2.585 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.466 9.712 2.554 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.483 11.412 3.540 1.00 0.00 N ATOM 0 H GLN A 29 -10.774 9.952 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.362 11.778 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.880 11.608 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.426 10.066 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.030 9.494 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.632 11.161 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.716 12.084 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.207 11.435 4.259 1.00 0.00 H new ATOM 473 N ASP A 30 -10.635 13.010 0.821 1.00 0.00 N ATOM 474 CA ASP A 30 -10.203 14.243 1.477 1.00 0.00 C ATOM 475 C ASP A 30 -8.734 14.121 1.905 1.00 0.00 C ATOM 476 O ASP A 30 -8.358 14.494 3.021 1.00 0.00 O ATOM 477 CB ASP A 30 -11.081 14.535 2.703 1.00 0.00 C ATOM 478 CG ASP A 30 -11.239 16.043 2.870 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.147 16.594 2.267 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.451 16.626 3.598 1.00 0.00 O ATOM 0 H ASP A 30 -10.110 12.180 1.097 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.304 15.067 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.058 14.068 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.630 14.105 3.597 1.00 0.00 H new ATOM 485 N ALA A 31 -7.906 13.589 0.997 1.00 0.00 N ATOM 486 CA ALA A 31 -6.481 13.413 1.277 1.00 0.00 C ATOM 487 C ALA A 31 -5.768 14.765 1.327 1.00 0.00 C ATOM 488 O ALA A 31 -6.255 15.763 0.791 1.00 0.00 O ATOM 489 CB ALA A 31 -5.830 12.542 0.199 1.00 0.00 C ATOM 0 H ALA A 31 -8.198 13.276 0.071 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.388 12.924 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.770 12.420 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.312 11.564 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.944 13.021 -0.774 1.00 0.00 H new ATOM 495 N GLU A 32 -4.605 14.778 1.980 1.00 0.00 N ATOM 496 CA GLU A 32 -3.814 16.006 2.108 1.00 0.00 C ATOM 497 C GLU A 32 -3.174 16.380 0.772 1.00 0.00 C ATOM 498 O GLU A 32 -3.273 17.523 0.323 1.00 0.00 O ATOM 499 CB GLU A 32 -2.710 15.829 3.155 1.00 0.00 C ATOM 500 CG GLU A 32 -3.334 15.686 4.546 1.00 0.00 C ATOM 501 CD GLU A 32 -2.609 14.590 5.322 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.976 13.436 5.164 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.696 14.920 6.061 1.00 0.00 O ATOM 0 H GLU A 32 -4.191 13.959 2.426 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.489 16.803 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.113 14.948 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.036 16.685 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.268 16.631 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.393 15.443 4.457 1.00 0.00 H new ATOM 510 N ASP A 33 -2.519 15.400 0.145 1.00 0.00 N ATOM 511 CA ASP A 33 -1.863 15.629 -1.145 1.00 0.00 C ATOM 512 C ASP A 33 -2.511 14.782 -2.250 1.00 0.00 C ATOM 513 O ASP A 33 -1.860 14.426 -3.235 1.00 0.00 O ATOM 514 CB ASP A 33 -0.372 15.277 -1.046 1.00 0.00 C ATOM 515 CG ASP A 33 0.439 16.220 -1.930 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.588 17.374 -1.556 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.902 15.777 -2.969 1.00 0.00 O ATOM 0 H ASP A 33 -2.429 14.450 0.505 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.977 16.683 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.038 15.356 -0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.211 14.244 -1.355 1.00 0.00 H new ATOM 522 N GLY A 34 -3.800 14.462 -2.075 1.00 0.00 N ATOM 523 CA GLY A 34 -4.524 13.655 -3.061 1.00 0.00 C ATOM 524 C GLY A 34 -3.915 12.256 -3.190 1.00 0.00 C ATOM 525 O GLY A 34 -3.961 11.645 -4.259 1.00 0.00 O ATOM 0 H GLY A 34 -4.356 14.747 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.571 13.573 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.502 14.154 -4.030 1.00 0.00 H new ATOM 529 N CYS A 35 -3.336 11.760 -2.089 1.00 0.00 N ATOM 530 CA CYS A 35 -2.710 10.436 -2.084 1.00 0.00 C ATOM 531 C CYS A 35 -2.956 9.734 -0.748 1.00 0.00 C ATOM 532 O CYS A 35 -3.570 10.300 0.161 1.00 0.00 O ATOM 533 CB CYS A 35 -1.200 10.561 -2.304 1.00 0.00 C ATOM 534 SG CYS A 35 -0.879 11.459 -3.842 1.00 0.00 S ATOM 0 H CYS A 35 -3.289 12.253 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.152 9.851 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.743 11.084 -1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.746 9.571 -2.348 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.248 12.698 -3.706 1.00 0.00 H new ATOM 540 N ILE A 36 -2.462 8.500 -0.632 1.00 0.00 N ATOM 541 CA ILE A 36 -2.627 7.739 0.605 1.00 0.00 C ATOM 542 C ILE A 36 -1.300 7.672 1.359 1.00 0.00 C ATOM 543 O ILE A 36 -0.260 8.084 0.848 1.00 0.00 O ATOM 544 CB ILE A 36 -3.121 6.312 0.318 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.105 5.570 -0.556 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.470 6.366 -0.402 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.384 4.514 0.284 1.00 0.00 C ATOM 0 H ILE A 36 -1.952 8.013 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.373 8.249 1.215 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.235 5.782 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.610 5.097 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.384 6.274 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.816 5.352 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.198 6.880 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.359 6.905 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.661 3.986 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.866 4.999 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.111 3.804 0.678 1.00 0.00 H new ATOM 559 N SER A 37 -1.348 7.143 2.578 1.00 0.00 N ATOM 560 CA SER A 37 -0.145 7.019 3.391 1.00 0.00 C ATOM 561 C SER A 37 0.478 5.642 3.194 1.00 0.00 C ATOM 562 O SER A 37 -0.225 4.635 3.112 1.00 0.00 O ATOM 563 CB SER A 37 -0.470 7.215 4.874 1.00 0.00 C ATOM 564 OG SER A 37 0.661 7.769 5.534 1.00 0.00 O ATOM 0 H SER A 37 -2.199 6.796 3.021 1.00 0.00 H new ATOM 0 HA SER A 37 0.558 7.790 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.330 7.875 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.739 6.261 5.328 1.00 0.00 H new ATOM 0 HG SER A 37 0.455 7.897 6.484 1.00 0.00 H new ATOM 570 N THR A 38 1.807 5.610 3.128 1.00 0.00 N ATOM 571 CA THR A 38 2.529 4.346 2.953 1.00 0.00 C ATOM 572 C THR A 38 2.117 3.340 4.032 1.00 0.00 C ATOM 573 O THR A 38 2.037 2.137 3.780 1.00 0.00 O ATOM 574 CB THR A 38 4.047 4.571 3.027 1.00 0.00 C ATOM 575 OG1 THR A 38 4.349 5.428 4.121 1.00 0.00 O ATOM 576 CG2 THR A 38 4.535 5.211 1.725 1.00 0.00 C ATOM 0 H THR A 38 2.404 6.435 3.192 1.00 0.00 H new ATOM 0 HA THR A 38 2.274 3.950 1.970 1.00 0.00 H new ATOM 0 HB THR A 38 4.548 3.613 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.318 5.569 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.612 5.370 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.307 4.551 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.034 6.168 1.580 1.00 0.00 H new ATOM 584 N LYS A 39 1.849 3.855 5.237 1.00 0.00 N ATOM 585 CA LYS A 39 1.437 3.016 6.364 1.00 0.00 C ATOM 586 C LYS A 39 0.063 2.381 6.127 1.00 0.00 C ATOM 587 O LYS A 39 -0.154 1.213 6.457 1.00 0.00 O ATOM 588 CB LYS A 39 1.377 3.855 7.644 1.00 0.00 C ATOM 589 CG LYS A 39 2.679 3.680 8.422 1.00 0.00 C ATOM 590 CD LYS A 39 2.789 2.227 8.883 1.00 0.00 C ATOM 591 CE LYS A 39 3.381 2.176 10.294 1.00 0.00 C ATOM 592 NZ LYS A 39 3.815 0.783 10.605 1.00 0.00 N ATOM 0 H LYS A 39 1.911 4.849 5.455 1.00 0.00 H new ATOM 0 HA LYS A 39 2.175 2.220 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.226 4.906 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.530 3.546 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.531 3.942 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.698 4.350 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.806 1.757 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.418 1.663 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.229 2.857 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.641 2.508 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.217 0.750 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.996 0.144 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.535 0.482 9.918 1.00 0.00 H new ATOM 606 N GLU A 40 -0.864 3.165 5.571 1.00 0.00 N ATOM 607 CA GLU A 40 -2.225 2.677 5.315 1.00 0.00 C ATOM 608 C GLU A 40 -2.363 2.017 3.931 1.00 0.00 C ATOM 609 O GLU A 40 -3.476 1.880 3.414 1.00 0.00 O ATOM 610 CB GLU A 40 -3.229 3.832 5.435 1.00 0.00 C ATOM 611 CG GLU A 40 -3.024 4.839 4.297 1.00 0.00 C ATOM 612 CD GLU A 40 -4.357 5.121 3.609 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.687 4.404 2.677 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.028 6.053 4.021 1.00 0.00 O ATOM 0 H GLU A 40 -0.701 4.132 5.291 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.438 1.916 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.247 3.442 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.106 4.330 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.604 5.765 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.308 4.445 3.575 1.00 0.00 H new ATOM 621 N LEU A 41 -1.239 1.588 3.340 1.00 0.00 N ATOM 622 CA LEU A 41 -1.281 0.931 2.031 1.00 0.00 C ATOM 623 C LEU A 41 -1.382 -0.599 2.189 1.00 0.00 C ATOM 624 O LEU A 41 -0.955 -1.360 1.318 1.00 0.00 O ATOM 625 CB LEU A 41 -0.032 1.292 1.214 1.00 0.00 C ATOM 626 CG LEU A 41 -0.017 0.788 -0.236 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.431 0.833 -0.822 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.907 1.671 -1.079 1.00 0.00 C ATOM 0 H LEU A 41 -0.306 1.683 3.741 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.167 1.283 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.072 2.377 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.843 0.893 1.727 1.00 0.00 H new ATOM 0 HG LEU A 41 0.346 -0.240 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.410 0.474 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.091 0.199 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.800 1.858 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.916 1.311 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.547 2.699 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.918 1.632 -0.673 1.00 0.00 H new ATOM 640 N GLY A 42 -1.965 -1.037 3.310 1.00 0.00 N ATOM 641 CA GLY A 42 -2.134 -2.465 3.580 1.00 0.00 C ATOM 642 C GLY A 42 -3.618 -2.837 3.651 1.00 0.00 C ATOM 643 O GLY A 42 -4.015 -3.927 3.236 1.00 0.00 O ATOM 0 H GLY A 42 -2.326 -0.424 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.646 -3.047 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.645 -2.722 4.520 1.00 0.00 H new ATOM 647 N LYS A 43 -4.431 -1.914 4.182 1.00 0.00 N ATOM 648 CA LYS A 43 -5.872 -2.142 4.310 1.00 0.00 C ATOM 649 C LYS A 43 -6.572 -2.036 2.950 1.00 0.00 C ATOM 650 O LYS A 43 -7.623 -2.644 2.737 1.00 0.00 O ATOM 651 CB LYS A 43 -6.488 -1.129 5.284 1.00 0.00 C ATOM 652 CG LYS A 43 -6.368 0.295 4.720 1.00 0.00 C ATOM 653 CD LYS A 43 -6.913 1.298 5.740 1.00 0.00 C ATOM 654 CE LYS A 43 -5.864 1.551 6.827 1.00 0.00 C ATOM 655 NZ LYS A 43 -6.542 1.973 8.087 1.00 0.00 N ATOM 0 H LYS A 43 -4.115 -1.008 4.528 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.016 -3.151 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.537 -1.372 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.984 -1.189 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.326 0.521 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.922 0.375 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.169 2.234 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.830 0.914 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.281 0.647 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.167 2.323 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.829 2.144 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.080 2.846 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.190 1.223 8.400 1.00 0.00 H new ATOM 669 N VAL A 44 -5.977 -1.265 2.030 1.00 0.00 N ATOM 670 CA VAL A 44 -6.552 -1.097 0.693 1.00 0.00 C ATOM 671 C VAL A 44 -6.501 -2.419 -0.082 1.00 0.00 C ATOM 672 O VAL A 44 -7.400 -2.724 -0.868 1.00 0.00 O ATOM 673 CB VAL A 44 -5.800 -0.012 -0.090 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.924 1.330 0.639 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.318 -0.383 -0.209 1.00 0.00 C ATOM 0 H VAL A 44 -5.108 -0.754 2.186 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.591 -0.791 0.810 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.235 0.068 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.389 2.098 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.976 1.605 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.496 1.243 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.792 0.393 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.884 -0.472 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.222 -1.334 -0.733 1.00 0.00 H new ATOM 685 N MET A 45 -5.442 -3.205 0.163 1.00 0.00 N ATOM 686 CA MET A 45 -5.284 -4.503 -0.501 1.00 0.00 C ATOM 687 C MET A 45 -6.376 -5.466 -0.037 1.00 0.00 C ATOM 688 O MET A 45 -6.902 -6.253 -0.825 1.00 0.00 O ATOM 689 CB MET A 45 -3.910 -5.125 -0.196 1.00 0.00 C ATOM 690 CG MET A 45 -2.795 -4.090 -0.396 1.00 0.00 C ATOM 691 SD MET A 45 -2.101 -4.258 -2.060 1.00 0.00 S ATOM 692 CE MET A 45 -3.556 -3.676 -2.962 1.00 0.00 C ATOM 0 H MET A 45 -4.690 -2.966 0.810 1.00 0.00 H new ATOM 0 HA MET A 45 -5.363 -4.335 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.891 -5.495 0.829 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.740 -5.982 -0.847 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.190 -3.084 -0.256 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.014 -4.233 0.351 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.247 -3.259 -3.921 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.237 -4.510 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.063 -2.907 -2.378 1.00 0.00 H new ATOM 702 N ARG A 46 -6.720 -5.375 1.252 1.00 0.00 N ATOM 703 CA ARG A 46 -7.767 -6.225 1.826 1.00 0.00 C ATOM 704 C ARG A 46 -9.118 -5.909 1.184 1.00 0.00 C ATOM 705 O ARG A 46 -9.919 -6.808 0.922 1.00 0.00 O ATOM 706 CB ARG A 46 -7.868 -6.012 3.341 1.00 0.00 C ATOM 707 CG ARG A 46 -6.909 -6.966 4.060 1.00 0.00 C ATOM 708 CD ARG A 46 -7.631 -7.623 5.240 1.00 0.00 C ATOM 709 NE ARG A 46 -8.597 -8.622 4.772 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.322 -9.355 5.630 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.184 -9.201 6.927 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.174 -10.234 5.167 1.00 0.00 N ATOM 0 H ARG A 46 -6.292 -4.726 1.913 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.503 -7.264 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.624 -4.979 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.890 -6.188 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.552 -7.729 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.034 -6.421 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.903 -8.096 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.145 -6.862 5.827 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.721 -8.763 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.520 -8.518 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.741 -9.764 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.283 -10.358 4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.729 -10.795 5.813 1.00 0.00 H new ATOM 726 N MET A 47 -9.353 -4.618 0.919 1.00 0.00 N ATOM 727 CA MET A 47 -10.602 -4.182 0.289 1.00 0.00 C ATOM 728 C MET A 47 -10.662 -4.661 -1.163 1.00 0.00 C ATOM 729 O MET A 47 -11.723 -5.046 -1.658 1.00 0.00 O ATOM 730 CB MET A 47 -10.719 -2.653 0.319 1.00 0.00 C ATOM 731 CG MET A 47 -11.332 -2.210 1.651 1.00 0.00 C ATOM 732 SD MET A 47 -13.134 -2.369 1.570 1.00 0.00 S ATOM 733 CE MET A 47 -13.513 -0.607 1.404 1.00 0.00 C ATOM 0 H MET A 47 -8.700 -3.864 1.130 1.00 0.00 H new ATOM 0 HA MET A 47 -11.430 -4.616 0.850 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.736 -2.200 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.338 -2.309 -0.510 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.939 -2.819 2.465 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.057 -1.177 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.592 -0.472 1.336 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.134 -0.070 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.041 -0.217 0.502 1.00 0.00 H new ATOM 743 N LEU A 48 -9.503 -4.641 -1.833 1.00 0.00 N ATOM 744 CA LEU A 48 -9.415 -5.084 -3.228 1.00 0.00 C ATOM 745 C LEU A 48 -9.781 -6.566 -3.343 1.00 0.00 C ATOM 746 O LEU A 48 -10.516 -6.968 -4.247 1.00 0.00 O ATOM 747 CB LEU A 48 -7.993 -4.876 -3.765 1.00 0.00 C ATOM 748 CG LEU A 48 -7.898 -4.169 -5.122 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.754 -4.912 -6.150 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.399 -2.727 -4.985 1.00 0.00 C ATOM 0 H LEU A 48 -8.619 -4.325 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.116 -4.492 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.428 -4.299 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.508 -5.849 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.860 -4.163 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.685 -4.408 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.395 -5.936 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.793 -4.922 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.331 -2.225 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.437 -2.732 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.786 -2.197 -4.256 1.00 0.00 H new ATOM 762 N GLY A 49 -9.257 -7.369 -2.411 1.00 0.00 N ATOM 763 CA GLY A 49 -9.525 -8.809 -2.401 1.00 0.00 C ATOM 764 C GLY A 49 -8.244 -9.600 -2.134 1.00 0.00 C ATOM 765 O GLY A 49 -7.913 -10.532 -2.871 1.00 0.00 O ATOM 0 H GLY A 49 -8.648 -7.048 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.266 -9.040 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.951 -9.111 -3.358 1.00 0.00 H new ATOM 769 N GLN A 50 -7.528 -9.211 -1.075 1.00 0.00 N ATOM 770 CA GLN A 50 -6.277 -9.879 -0.710 1.00 0.00 C ATOM 771 C GLN A 50 -6.126 -9.951 0.809 1.00 0.00 C ATOM 772 O GLN A 50 -6.961 -9.436 1.556 1.00 0.00 O ATOM 773 CB GLN A 50 -5.079 -9.121 -1.293 1.00 0.00 C ATOM 774 CG GLN A 50 -4.805 -9.616 -2.715 1.00 0.00 C ATOM 775 CD GLN A 50 -5.242 -8.552 -3.721 1.00 0.00 C ATOM 776 OE1 GLN A 50 -6.216 -8.743 -4.451 1.00 0.00 O ATOM 777 NE2 GLN A 50 -4.576 -7.432 -3.804 1.00 0.00 N ATOM 0 H GLN A 50 -7.792 -8.442 -0.459 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.306 -10.890 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.282 -8.050 -1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.199 -9.273 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.744 -9.833 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.343 -10.546 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.769 -7.272 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.862 -6.717 -4.472 1.00 0.00 H new ATOM 786 N ASN A 51 -5.046 -10.597 1.257 1.00 0.00 N ATOM 787 CA ASN A 51 -4.786 -10.729 2.692 1.00 0.00 C ATOM 788 C ASN A 51 -3.295 -10.976 2.954 1.00 0.00 C ATOM 789 O ASN A 51 -2.892 -12.072 3.356 1.00 0.00 O ATOM 790 CB ASN A 51 -5.615 -11.881 3.279 1.00 0.00 C ATOM 791 CG ASN A 51 -5.811 -11.661 4.778 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.480 -10.712 5.190 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.263 -12.488 5.626 1.00 0.00 N ATOM 0 H ASN A 51 -4.346 -11.031 0.655 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.075 -9.797 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.582 -11.937 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.111 -12.831 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.389 -12.348 6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.709 -13.274 5.286 1.00 0.00 H new ATOM 800 N PRO A 52 -2.459 -9.950 2.735 1.00 0.00 N ATOM 801 CA PRO A 52 -1.002 -10.051 2.955 1.00 0.00 C ATOM 802 C PRO A 52 -0.616 -9.825 4.419 1.00 0.00 C ATOM 803 O PRO A 52 -1.472 -9.794 5.306 1.00 0.00 O ATOM 804 CB PRO A 52 -0.466 -8.918 2.087 1.00 0.00 C ATOM 805 CG PRO A 52 -1.596 -7.908 1.925 1.00 0.00 C ATOM 806 CD PRO A 52 -2.910 -8.628 2.252 1.00 0.00 C ATOM 0 HA PRO A 52 -0.608 -11.037 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.403 -8.453 2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.144 -9.295 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.449 -7.058 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.617 -7.516 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.483 -8.096 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.550 -8.717 1.374 1.00 0.00 H new ATOM 814 N THR A 53 0.683 -9.647 4.651 1.00 0.00 N ATOM 815 CA THR A 53 1.192 -9.398 6.000 1.00 0.00 C ATOM 816 C THR A 53 1.654 -7.942 6.101 1.00 0.00 C ATOM 817 O THR A 53 1.784 -7.257 5.083 1.00 0.00 O ATOM 818 CB THR A 53 2.371 -10.339 6.331 1.00 0.00 C ATOM 819 OG1 THR A 53 3.584 -9.790 5.836 1.00 0.00 O ATOM 820 CG2 THR A 53 2.143 -11.711 5.694 1.00 0.00 C ATOM 0 H THR A 53 1.400 -9.670 3.926 1.00 0.00 H new ATOM 0 HA THR A 53 0.392 -9.589 6.715 1.00 0.00 H new ATOM 0 HB THR A 53 2.436 -10.448 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.327 -10.392 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.980 -12.367 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.221 -12.143 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.066 -11.602 4.612 1.00 0.00 H new ATOM 828 N PRO A 54 1.925 -7.455 7.316 1.00 0.00 N ATOM 829 CA PRO A 54 2.389 -6.065 7.513 1.00 0.00 C ATOM 830 C PRO A 54 3.813 -5.848 7.001 1.00 0.00 C ATOM 831 O PRO A 54 4.179 -4.742 6.602 1.00 0.00 O ATOM 832 CB PRO A 54 2.299 -5.896 9.025 1.00 0.00 C ATOM 833 CG PRO A 54 2.344 -7.292 9.625 1.00 0.00 C ATOM 834 CD PRO A 54 1.805 -8.247 8.559 1.00 0.00 C ATOM 0 HA PRO A 54 1.797 -5.337 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.125 -5.289 9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.377 -5.385 9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.363 -7.560 9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.740 -7.343 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.387 -9.167 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.772 -8.533 8.758 1.00 0.00 H new ATOM 842 N GLU A 55 4.597 -6.928 6.992 1.00 0.00 N ATOM 843 CA GLU A 55 5.974 -6.870 6.499 1.00 0.00 C ATOM 844 C GLU A 55 5.982 -6.993 4.972 1.00 0.00 C ATOM 845 O GLU A 55 6.789 -6.359 4.289 1.00 0.00 O ATOM 846 CB GLU A 55 6.816 -8.009 7.091 1.00 0.00 C ATOM 847 CG GLU A 55 6.547 -8.130 8.594 1.00 0.00 C ATOM 848 CD GLU A 55 7.737 -8.801 9.276 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.738 -10.019 9.358 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.629 -8.088 9.705 1.00 0.00 O ATOM 0 H GLU A 55 4.304 -7.849 7.319 1.00 0.00 H new ATOM 0 HA GLU A 55 6.403 -5.915 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.575 -8.948 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.875 -7.819 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.378 -7.143 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.641 -8.712 8.766 1.00 0.00 H new ATOM 857 N GLU A 56 5.065 -7.821 4.452 1.00 0.00 N ATOM 858 CA GLU A 56 4.952 -8.040 3.009 1.00 0.00 C ATOM 859 C GLU A 56 4.515 -6.757 2.299 1.00 0.00 C ATOM 860 O GLU A 56 5.210 -6.267 1.406 1.00 0.00 O ATOM 861 CB GLU A 56 3.936 -9.150 2.714 1.00 0.00 C ATOM 862 CG GLU A 56 4.214 -9.751 1.334 1.00 0.00 C ATOM 863 CD GLU A 56 3.616 -11.153 1.259 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.419 -11.256 1.043 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.364 -12.104 1.421 1.00 0.00 O ATOM 0 H GLU A 56 4.393 -8.348 5.011 1.00 0.00 H new ATOM 0 HA GLU A 56 5.933 -8.338 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.998 -9.925 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.923 -8.748 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.784 -9.119 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.288 -9.792 1.153 1.00 0.00 H new ATOM 872 N LEU A 57 3.356 -6.217 2.704 1.00 0.00 N ATOM 873 CA LEU A 57 2.841 -4.987 2.096 1.00 0.00 C ATOM 874 C LEU A 57 3.844 -3.836 2.237 1.00 0.00 C ATOM 875 O LEU A 57 3.944 -2.984 1.355 1.00 0.00 O ATOM 876 CB LEU A 57 1.503 -4.579 2.732 1.00 0.00 C ATOM 877 CG LEU A 57 1.557 -4.185 4.215 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.713 -2.666 4.342 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.259 -4.618 4.901 1.00 0.00 C ATOM 0 H LEU A 57 2.767 -6.608 3.439 1.00 0.00 H new ATOM 0 HA LEU A 57 2.686 -5.191 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.096 -3.740 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.803 -5.407 2.621 1.00 0.00 H new ATOM 0 HG LEU A 57 2.407 -4.677 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.751 -2.391 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.635 -2.353 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.864 -2.172 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.294 -4.340 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.587 -4.124 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.145 -5.699 4.815 1.00 0.00 H new ATOM 891 N GLN A 58 4.584 -3.825 3.355 1.00 0.00 N ATOM 892 CA GLN A 58 5.577 -2.772 3.603 1.00 0.00 C ATOM 893 C GLN A 58 6.603 -2.706 2.471 1.00 0.00 C ATOM 894 O GLN A 58 6.892 -1.629 1.943 1.00 0.00 O ATOM 895 CB GLN A 58 6.316 -3.020 4.924 1.00 0.00 C ATOM 896 CG GLN A 58 6.254 -1.760 5.796 1.00 0.00 C ATOM 897 CD GLN A 58 6.943 -0.602 5.076 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.166 -0.474 5.121 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.221 0.258 4.406 1.00 0.00 N ATOM 0 H GLN A 58 4.515 -4.525 4.094 1.00 0.00 H new ATOM 0 HA GLN A 58 5.038 -1.826 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.866 -3.861 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.354 -3.286 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.216 -1.503 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.739 -1.945 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.207 0.153 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.672 1.034 3.921 1.00 0.00 H new ATOM 908 N GLU A 59 7.151 -3.869 2.107 1.00 0.00 N ATOM 909 CA GLU A 59 8.149 -3.940 1.035 1.00 0.00 C ATOM 910 C GLU A 59 7.552 -3.485 -0.298 1.00 0.00 C ATOM 911 O GLU A 59 8.227 -2.830 -1.093 1.00 0.00 O ATOM 912 CB GLU A 59 8.682 -5.370 0.883 1.00 0.00 C ATOM 913 CG GLU A 59 9.717 -5.654 1.978 1.00 0.00 C ATOM 914 CD GLU A 59 11.039 -4.972 1.629 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.831 -5.583 0.930 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.238 -3.852 2.067 1.00 0.00 O ATOM 0 H GLU A 59 6.923 -4.767 2.534 1.00 0.00 H new ATOM 0 HA GLU A 59 8.969 -3.275 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.861 -6.084 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.134 -5.497 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.352 -5.291 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.867 -6.729 2.079 1.00 0.00 H new ATOM 923 N MET A 60 6.281 -3.835 -0.530 1.00 0.00 N ATOM 924 CA MET A 60 5.600 -3.452 -1.770 1.00 0.00 C ATOM 925 C MET A 60 5.475 -1.930 -1.872 1.00 0.00 C ATOM 926 O MET A 60 5.703 -1.351 -2.934 1.00 0.00 O ATOM 927 CB MET A 60 4.200 -4.074 -1.830 1.00 0.00 C ATOM 928 CG MET A 60 4.312 -5.578 -2.091 1.00 0.00 C ATOM 929 SD MET A 60 2.854 -6.419 -1.425 1.00 0.00 S ATOM 930 CE MET A 60 1.968 -6.619 -2.992 1.00 0.00 C ATOM 0 H MET A 60 5.709 -4.377 0.118 1.00 0.00 H new ATOM 0 HA MET A 60 6.197 -3.821 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.673 -3.896 -0.893 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.615 -3.601 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.396 -5.766 -3.161 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.216 -5.972 -1.626 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.976 -7.028 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.872 -5.650 -3.482 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.522 -7.299 -3.639 1.00 0.00 H new ATOM 940 N ILE A 61 5.108 -1.294 -0.752 1.00 0.00 N ATOM 941 CA ILE A 61 4.946 0.162 -0.706 1.00 0.00 C ATOM 942 C ILE A 61 6.222 0.878 -1.164 1.00 0.00 C ATOM 943 O ILE A 61 6.244 1.510 -2.220 1.00 0.00 O ATOM 944 CB ILE A 61 4.607 0.598 0.721 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.207 0.100 1.080 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.655 2.122 0.827 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.167 -0.290 2.556 1.00 0.00 C ATOM 0 H ILE A 61 4.918 -1.765 0.132 1.00 0.00 H new ATOM 0 HA ILE A 61 4.136 0.433 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 61 5.336 0.173 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.470 0.878 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.944 -0.757 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.412 2.424 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.655 2.473 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.932 2.558 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.169 -0.645 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.893 -1.082 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.411 0.578 3.168 1.00 0.00 H new ATOM 959 N ASP A 62 7.273 0.779 -0.347 1.00 0.00 N ATOM 960 CA ASP A 62 8.555 1.423 -0.659 1.00 0.00 C ATOM 961 C ASP A 62 9.036 1.063 -2.074 1.00 0.00 C ATOM 962 O ASP A 62 9.645 1.887 -2.758 1.00 0.00 O ATOM 963 CB ASP A 62 9.623 0.996 0.354 1.00 0.00 C ATOM 964 CG ASP A 62 9.383 1.706 1.685 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.662 1.159 2.505 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.925 2.786 1.864 1.00 0.00 O ATOM 0 H ASP A 62 7.264 0.262 0.532 1.00 0.00 H new ATOM 0 HA ASP A 62 8.400 2.501 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.592 -0.084 0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.616 1.239 -0.025 1.00 0.00 H new ATOM 971 N GLU A 63 8.754 -0.176 -2.500 1.00 0.00 N ATOM 972 CA GLU A 63 9.162 -0.640 -3.833 1.00 0.00 C ATOM 973 C GLU A 63 8.472 0.161 -4.943 1.00 0.00 C ATOM 974 O GLU A 63 9.104 0.537 -5.930 1.00 0.00 O ATOM 975 CB GLU A 63 8.823 -2.125 -4.016 1.00 0.00 C ATOM 976 CG GLU A 63 9.998 -2.987 -3.543 1.00 0.00 C ATOM 977 CD GLU A 63 10.951 -3.243 -4.707 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.733 -4.205 -5.427 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.886 -2.473 -4.861 1.00 0.00 O ATOM 0 H GLU A 63 8.250 -0.869 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 63 10.240 -0.493 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.926 -2.375 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.607 -2.332 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.526 -2.485 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.630 -3.934 -3.147 1.00 0.00 H new ATOM 986 N VAL A 64 7.166 0.406 -4.779 1.00 0.00 N ATOM 987 CA VAL A 64 6.401 1.151 -5.791 1.00 0.00 C ATOM 988 C VAL A 64 6.540 2.669 -5.627 1.00 0.00 C ATOM 989 O VAL A 64 6.264 3.416 -6.565 1.00 0.00 O ATOM 990 CB VAL A 64 4.910 0.794 -5.741 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.727 -0.707 -5.963 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.317 1.193 -4.384 1.00 0.00 C ATOM 0 H VAL A 64 6.623 0.106 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 64 6.821 0.859 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 64 4.391 1.339 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.666 -0.954 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.130 -0.982 -6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.254 -1.257 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.258 0.935 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.839 0.661 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.432 2.267 -4.238 1.00 0.00 H new ATOM 1002 N ASP A 65 6.949 3.126 -4.435 1.00 0.00 N ATOM 1003 CA ASP A 65 7.093 4.562 -4.196 1.00 0.00 C ATOM 1004 C ASP A 65 8.269 5.116 -5.008 1.00 0.00 C ATOM 1005 O ASP A 65 9.398 5.219 -4.522 1.00 0.00 O ATOM 1006 CB ASP A 65 7.304 4.851 -2.703 1.00 0.00 C ATOM 1007 CG ASP A 65 6.503 6.091 -2.304 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.888 7.179 -2.702 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.511 5.934 -1.610 1.00 0.00 O ATOM 0 H ASP A 65 7.181 2.533 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 65 6.174 5.054 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.988 3.994 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.363 5.008 -2.498 1.00 0.00 H new ATOM 1014 N GLU A 66 7.975 5.458 -6.266 1.00 0.00 N ATOM 1015 CA GLU A 66 8.990 5.992 -7.181 1.00 0.00 C ATOM 1016 C GLU A 66 9.445 7.395 -6.766 1.00 0.00 C ATOM 1017 O GLU A 66 10.576 7.795 -7.049 1.00 0.00 O ATOM 1018 CB GLU A 66 8.439 6.058 -8.611 1.00 0.00 C ATOM 1019 CG GLU A 66 8.356 4.645 -9.199 1.00 0.00 C ATOM 1020 CD GLU A 66 7.028 4.468 -9.933 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.051 4.133 -9.282 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.009 4.667 -11.137 1.00 0.00 O ATOM 0 H GLU A 66 7.044 5.375 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 66 9.845 5.318 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.452 6.520 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.083 6.683 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.186 4.477 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.444 3.904 -8.404 1.00 0.00 H new ATOM 1029 N ASP A 67 8.558 8.141 -6.097 1.00 0.00 N ATOM 1030 CA ASP A 67 8.895 9.499 -5.660 1.00 0.00 C ATOM 1031 C ASP A 67 9.707 9.463 -4.365 1.00 0.00 C ATOM 1032 O ASP A 67 10.731 10.137 -4.245 1.00 0.00 O ATOM 1033 CB ASP A 67 7.630 10.336 -5.416 1.00 0.00 C ATOM 1034 CG ASP A 67 6.691 10.265 -6.623 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.161 10.452 -7.734 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.511 10.035 -6.412 1.00 0.00 O ATOM 0 H ASP A 67 7.617 7.834 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 67 9.483 9.955 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.115 9.974 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.906 11.373 -5.224 1.00 0.00 H new ATOM 1041 N GLY A 68 9.226 8.682 -3.392 1.00 0.00 N ATOM 1042 CA GLY A 68 9.901 8.576 -2.097 1.00 0.00 C ATOM 1043 C GLY A 68 9.634 9.827 -1.262 1.00 0.00 C ATOM 1044 O GLY A 68 10.524 10.337 -0.580 1.00 0.00 O ATOM 0 H GLY A 68 8.379 8.119 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.548 7.692 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.973 8.451 -2.246 1.00 0.00 H new ATOM 1048 N SER A 69 8.394 10.322 -1.343 1.00 0.00 N ATOM 1049 CA SER A 69 7.997 11.521 -0.617 1.00 0.00 C ATOM 1050 C SER A 69 7.446 11.161 0.763 1.00 0.00 C ATOM 1051 O SER A 69 7.874 11.708 1.782 1.00 0.00 O ATOM 1052 CB SER A 69 6.911 12.275 -1.398 1.00 0.00 C ATOM 1053 OG SER A 69 6.787 11.733 -2.711 1.00 0.00 O ATOM 0 H SER A 69 7.652 9.906 -1.906 1.00 0.00 H new ATOM 0 HA SER A 69 8.879 12.151 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.958 12.201 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.162 13.334 -1.455 1.00 0.00 H new ATOM 0 HG SER A 69 6.091 12.219 -3.201 1.00 0.00 H new ATOM 1059 N GLY A 70 6.481 10.240 0.772 1.00 0.00 N ATOM 1060 CA GLY A 70 5.843 9.801 2.015 1.00 0.00 C ATOM 1061 C GLY A 70 4.444 9.254 1.731 1.00 0.00 C ATOM 1062 O GLY A 70 3.979 8.326 2.395 1.00 0.00 O ATOM 0 H GLY A 70 6.124 9.783 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.451 9.032 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.779 10.636 2.713 1.00 0.00 H new ATOM 1066 N THR A 71 3.783 9.843 0.726 1.00 0.00 N ATOM 1067 CA THR A 71 2.439 9.414 0.340 1.00 0.00 C ATOM 1068 C THR A 71 2.500 8.595 -0.950 1.00 0.00 C ATOM 1069 O THR A 71 3.400 8.775 -1.779 1.00 0.00 O ATOM 1070 CB THR A 71 1.516 10.626 0.125 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.936 11.361 -1.023 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.555 11.531 1.360 1.00 0.00 C ATOM 0 H THR A 71 4.157 10.613 0.171 1.00 0.00 H new ATOM 0 HA THR A 71 2.036 8.802 1.147 1.00 0.00 H new ATOM 0 HB THR A 71 0.497 10.273 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.343 12.130 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.900 12.388 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.218 10.971 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.575 11.879 1.524 1.00 0.00 H new ATOM 1080 N VAL A 72 1.533 7.691 -1.111 1.00 0.00 N ATOM 1081 CA VAL A 72 1.482 6.848 -2.300 1.00 0.00 C ATOM 1082 C VAL A 72 0.464 7.403 -3.294 1.00 0.00 C ATOM 1083 O VAL A 72 -0.723 7.521 -2.987 1.00 0.00 O ATOM 1084 CB VAL A 72 1.102 5.409 -1.933 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.221 4.512 -3.171 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.045 4.896 -0.838 1.00 0.00 C ATOM 0 H VAL A 72 0.783 7.527 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 72 2.473 6.845 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 72 0.075 5.388 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.950 3.490 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.550 4.875 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.247 4.532 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.776 3.873 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.072 4.919 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.958 5.531 0.044 1.00 0.00 H new ATOM 1096 N ASP A 73 0.949 7.729 -4.492 1.00 0.00 N ATOM 1097 CA ASP A 73 0.083 8.266 -5.543 1.00 0.00 C ATOM 1098 C ASP A 73 -0.590 7.117 -6.290 1.00 0.00 C ATOM 1099 O ASP A 73 -0.249 5.952 -6.089 1.00 0.00 O ATOM 1100 CB ASP A 73 0.895 9.093 -6.554 1.00 0.00 C ATOM 1101 CG ASP A 73 1.707 10.173 -5.837 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.702 9.834 -5.217 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.328 11.328 -5.932 1.00 0.00 O ATOM 0 H ASP A 73 1.929 7.632 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.663 8.906 -5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.564 8.439 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.223 9.555 -7.277 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.542 7.458 -7.160 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.250 6.441 -7.942 1.00 0.00 C ATOM 1110 C PHE A 74 -1.274 5.702 -8.863 1.00 0.00 C ATOM 1111 O PHE A 74 -1.435 4.509 -9.120 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.360 7.087 -8.783 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.347 6.038 -9.245 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.718 4.986 -8.396 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.895 6.122 -10.531 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.633 4.021 -8.833 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.810 5.157 -10.968 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.179 4.106 -10.119 1.00 0.00 C ATOM 0 H PHE A 74 -1.838 8.417 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.697 5.729 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.875 7.847 -8.195 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.925 7.592 -9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.297 4.920 -7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.611 6.932 -11.186 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.918 3.211 -8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.232 5.223 -11.960 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.885 3.361 -10.457 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.248 6.420 -9.337 1.00 0.00 N ATOM 1129 CA ASP A 75 0.764 5.825 -10.209 1.00 0.00 C ATOM 1130 C ASP A 75 1.578 4.787 -9.435 1.00 0.00 C ATOM 1131 O ASP A 75 1.876 3.708 -9.947 1.00 0.00 O ATOM 1132 CB ASP A 75 1.708 6.907 -10.743 1.00 0.00 C ATOM 1133 CG ASP A 75 0.926 7.899 -11.601 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.718 7.610 -12.768 1.00 0.00 O ATOM 1135 OD2 ASP A 75 0.545 8.933 -11.077 1.00 0.00 O ATOM 0 H ASP A 75 -0.100 7.408 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 75 0.258 5.343 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.186 7.428 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.503 6.450 -11.332 1.00 0.00 H new ATOM 1140 N GLU A 76 1.910 5.125 -8.182 1.00 0.00 N ATOM 1141 CA GLU A 76 2.668 4.215 -7.314 1.00 0.00 C ATOM 1142 C GLU A 76 1.751 3.103 -6.783 1.00 0.00 C ATOM 1143 O GLU A 76 2.213 2.030 -6.394 1.00 0.00 O ATOM 1144 CB GLU A 76 3.267 4.971 -6.117 1.00 0.00 C ATOM 1145 CG GLU A 76 3.779 6.349 -6.559 1.00 0.00 C ATOM 1146 CD GLU A 76 4.553 7.006 -5.413 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.958 7.240 -4.376 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.729 7.267 -5.590 1.00 0.00 O ATOM 0 H GLU A 76 1.667 6.016 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 76 3.474 3.783 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.513 5.088 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.084 4.393 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.423 6.245 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.941 6.981 -6.854 1.00 0.00 H new ATOM 1155 N PHE A 77 0.445 3.383 -6.772 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.553 2.427 -6.292 1.00 0.00 C ATOM 1157 C PHE A 77 -0.833 1.344 -7.345 1.00 0.00 C ATOM 1158 O PHE A 77 -1.043 0.178 -7.004 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.852 3.178 -5.953 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.910 2.225 -5.450 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.946 1.860 -4.097 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.860 1.708 -6.342 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.932 0.979 -3.638 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.845 0.827 -5.880 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.881 0.461 -4.529 1.00 0.00 C ATOM 0 H PHE A 77 0.054 4.269 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.165 1.936 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.651 3.937 -5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.217 3.699 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.214 2.258 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.832 1.989 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.961 0.698 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.578 0.429 -6.566 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.640 -0.220 -4.174 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.845 1.742 -8.623 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.114 0.794 -9.712 1.00 0.00 C ATOM 1177 C LEU A 78 0.119 -0.042 -10.061 1.00 0.00 C ATOM 1178 O LEU A 78 -0.009 -1.218 -10.411 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.573 1.540 -10.962 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.979 2.135 -10.874 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.959 3.570 -11.398 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.944 1.292 -11.713 1.00 0.00 C ATOM 0 H LEU A 78 -0.674 2.701 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.899 0.123 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.866 2.343 -11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.535 0.856 -11.810 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.310 2.135 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.961 3.994 -11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.274 4.167 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.628 3.574 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.946 1.716 -11.650 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.615 1.289 -12.752 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.958 0.270 -11.334 1.00 0.00 H new ATOM 1194 N VAL A 79 1.310 0.565 -9.972 1.00 0.00 N ATOM 1195 CA VAL A 79 2.553 -0.156 -10.293 1.00 0.00 C ATOM 1196 C VAL A 79 2.709 -1.409 -9.429 1.00 0.00 C ATOM 1197 O VAL A 79 3.374 -2.361 -9.830 1.00 0.00 O ATOM 1198 CB VAL A 79 3.794 0.724 -10.103 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.879 1.748 -11.236 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.729 1.447 -8.760 1.00 0.00 C ATOM 0 H VAL A 79 1.441 1.535 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 79 2.475 -0.439 -11.343 1.00 0.00 H new ATOM 0 HB VAL A 79 4.681 0.090 -10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.762 2.372 -11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.948 1.228 -12.192 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.987 2.375 -11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.616 2.068 -8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.839 2.075 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.685 0.714 -7.954 1.00 0.00 H new ATOM 1210 N MET A 80 2.091 -1.397 -8.240 1.00 0.00 N ATOM 1211 CA MET A 80 2.161 -2.543 -7.320 1.00 0.00 C ATOM 1212 C MET A 80 1.926 -3.874 -8.052 1.00 0.00 C ATOM 1213 O MET A 80 2.496 -4.902 -7.680 1.00 0.00 O ATOM 1214 CB MET A 80 1.113 -2.400 -6.211 1.00 0.00 C ATOM 1215 CG MET A 80 1.800 -1.980 -4.910 1.00 0.00 C ATOM 1216 SD MET A 80 0.896 -2.665 -3.499 1.00 0.00 S ATOM 1217 CE MET A 80 -0.246 -1.281 -3.269 1.00 0.00 C ATOM 0 H MET A 80 1.540 -0.612 -7.893 1.00 0.00 H new ATOM 0 HA MET A 80 3.163 -2.550 -6.892 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.366 -1.659 -6.496 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.588 -3.344 -6.069 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.831 -2.333 -4.901 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.835 -0.893 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.789 -1.409 -2.332 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.315 -0.347 -3.239 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.954 -1.252 -4.097 1.00 0.00 H new ATOM 1227 N MET A 81 1.085 -3.844 -9.090 1.00 0.00 N ATOM 1228 CA MET A 81 0.785 -5.053 -9.863 1.00 0.00 C ATOM 1229 C MET A 81 1.924 -5.388 -10.838 1.00 0.00 C ATOM 1230 O MET A 81 2.412 -6.518 -10.867 1.00 0.00 O ATOM 1231 CB MET A 81 -0.510 -4.871 -10.662 1.00 0.00 C ATOM 1232 CG MET A 81 -1.715 -5.053 -9.736 1.00 0.00 C ATOM 1233 SD MET A 81 -2.040 -6.818 -9.503 1.00 0.00 S ATOM 1234 CE MET A 81 -1.867 -6.850 -7.701 1.00 0.00 C ATOM 0 H MET A 81 0.604 -3.004 -9.412 1.00 0.00 H new ATOM 0 HA MET A 81 0.671 -5.872 -9.153 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.533 -3.880 -11.115 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.552 -5.595 -11.476 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.522 -4.578 -8.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.591 -4.565 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.031 -7.865 -7.338 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.864 -6.524 -7.426 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.602 -6.181 -7.253 1.00 0.00 H new ATOM 1244 N VAL A 82 2.326 -4.398 -11.643 1.00 0.00 N ATOM 1245 CA VAL A 82 3.396 -4.600 -12.636 1.00 0.00 C ATOM 1246 C VAL A 82 4.760 -4.845 -11.976 1.00 0.00 C ATOM 1247 O VAL A 82 5.575 -5.605 -12.504 1.00 0.00 O ATOM 1248 CB VAL A 82 3.509 -3.394 -13.588 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.285 -3.343 -14.508 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.593 -2.092 -12.787 1.00 0.00 C ATOM 0 H VAL A 82 1.933 -3.457 -11.630 1.00 0.00 H new ATOM 0 HA VAL A 82 3.120 -5.489 -13.204 1.00 0.00 H new ATOM 0 HB VAL A 82 4.413 -3.506 -14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.370 -2.488 -15.179 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.232 -4.261 -15.094 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.382 -3.244 -13.906 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.673 -1.248 -13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.696 -1.981 -12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.470 -2.118 -12.141 1.00 0.00 H new ATOM 1260 N ARG A 83 5.008 -4.204 -10.824 1.00 0.00 N ATOM 1261 CA ARG A 83 6.288 -4.378 -10.121 1.00 0.00 C ATOM 1262 C ARG A 83 6.505 -5.839 -9.701 1.00 0.00 C ATOM 1263 O ARG A 83 7.640 -6.260 -9.469 1.00 0.00 O ATOM 1264 CB ARG A 83 6.370 -3.475 -8.881 1.00 0.00 C ATOM 1265 CG ARG A 83 5.281 -3.856 -7.873 1.00 0.00 C ATOM 1266 CD ARG A 83 5.888 -3.976 -6.472 1.00 0.00 C ATOM 1267 NE ARG A 83 5.313 -5.118 -5.756 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.858 -6.343 -5.814 1.00 0.00 C ATOM 1269 NH1 ARG A 83 6.943 -6.567 -6.520 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.300 -7.330 -5.159 1.00 0.00 N ATOM 0 H ARG A 83 4.352 -3.571 -10.366 1.00 0.00 H new ATOM 0 HA ARG A 83 7.073 -4.093 -10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.352 -3.569 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.255 -2.432 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.493 -3.103 -7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.820 -4.801 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.969 -4.094 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.706 -3.059 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 83 4.472 -4.977 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.383 -5.804 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.345 -7.504 -6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.457 -7.165 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.709 -8.264 -5.198 1.00 0.00 H new ATOM 1284 N CYS A 84 5.409 -6.611 -9.619 1.00 0.00 N ATOM 1285 CA CYS A 84 5.499 -8.026 -9.244 1.00 0.00 C ATOM 1286 C CYS A 84 6.363 -8.793 -10.251 1.00 0.00 C ATOM 1287 O CYS A 84 7.009 -9.782 -9.900 1.00 0.00 O ATOM 1288 CB CYS A 84 4.108 -8.665 -9.195 1.00 0.00 C ATOM 1289 SG CYS A 84 3.221 -8.072 -7.732 1.00 0.00 S ATOM 0 H CYS A 84 4.462 -6.281 -9.806 1.00 0.00 H new ATOM 0 HA CYS A 84 5.955 -8.079 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.550 -8.416 -10.097 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.196 -9.751 -9.164 1.00 0.00 H new ATOM 0 HG CYS A 84 3.020 -6.792 -7.836 1.00 0.00 H new