USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot 100:sc= 0.614 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 166:sc= -0.0105 (180deg=-0.121) USER MOD Single : A 2 GLN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 5 SER OG : rot 50:sc= 0.00657 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -169:sc= -0.622 (180deg=-0.882) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.128 USER MOD Single : A 12 ASN : amide:sc= -3.7! C(o=-3.7!,f=-2.5!) USER MOD Single : A 13 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.5) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 36 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 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 55 CYS SG : rot -170:sc= -3.52! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.6) USER MOD Single : A 64 GLN : amide:sc=-0.00571 X(o=-0.0057,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.067 -4.540 -4.694 1.00 0.00 N ATOM 12 CA GLN A 2 -7.692 -3.702 -3.684 1.00 0.00 C ATOM 13 C GLN A 2 -6.996 -2.342 -3.618 1.00 0.00 C ATOM 14 O GLN A 2 -5.856 -2.202 -4.059 1.00 0.00 O ATOM 15 CB GLN A 2 -7.683 -4.390 -2.318 1.00 0.00 C ATOM 16 CG GLN A 2 -8.932 -5.253 -2.130 1.00 0.00 C ATOM 17 CD GLN A 2 -9.972 -4.533 -1.269 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.066 -4.729 -0.069 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.746 -3.690 -1.948 1.00 0.00 N ATOM 0 HA GLN A 2 -8.733 -3.542 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.791 -5.010 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.633 -3.639 -1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.363 -5.492 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.658 -6.198 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.614 -3.573 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.471 -3.161 -1.464 1.00 0.00 H new ATOM 28 N GLU A 3 -7.710 -1.373 -3.063 1.00 0.00 N ATOM 29 CA GLU A 3 -7.174 -0.029 -2.934 1.00 0.00 C ATOM 30 C GLU A 3 -7.405 0.500 -1.516 1.00 0.00 C ATOM 31 O GLU A 3 -8.181 -0.075 -0.754 1.00 0.00 O ATOM 32 CB GLU A 3 -7.788 0.909 -3.975 1.00 0.00 C ATOM 33 CG GLU A 3 -9.316 0.890 -3.897 1.00 0.00 C ATOM 34 CD GLU A 3 -9.938 1.306 -5.232 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.996 2.531 -5.474 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.341 0.389 -5.980 1.00 0.00 O ATOM 0 H GLU A 3 -8.655 -1.492 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.100 -0.068 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.425 1.924 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.468 0.610 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.658 -0.110 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.652 1.564 -3.109 1.00 0.00 H new ATOM 43 N PHE A 4 -6.717 1.589 -1.206 1.00 0.00 N ATOM 44 CA PHE A 4 -6.838 2.202 0.106 1.00 0.00 C ATOM 45 C PHE A 4 -6.700 3.723 0.015 1.00 0.00 C ATOM 46 O PHE A 4 -5.796 4.230 -0.647 1.00 0.00 O ATOM 47 CB PHE A 4 -5.698 1.649 0.964 1.00 0.00 C ATOM 48 CG PHE A 4 -5.226 0.254 0.548 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.261 0.117 -0.400 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.773 -0.849 1.126 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.823 -1.177 -0.786 1.00 0.00 C ATOM 52 CE2 PHE A 4 -5.336 -2.144 0.740 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.370 -2.281 -0.208 1.00 0.00 C ATOM 0 H PHE A 4 -6.074 2.063 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.815 1.978 0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.854 2.337 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.023 1.616 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.828 0.993 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.540 -0.740 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.056 -1.285 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.770 -3.020 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.037 -3.266 -0.502 1.00 0.00 H new ATOM 63 N SER A 5 -7.611 4.409 0.691 1.00 0.00 N ATOM 64 CA SER A 5 -7.603 5.862 0.695 1.00 0.00 C ATOM 65 C SER A 5 -6.698 6.376 1.816 1.00 0.00 C ATOM 66 O SER A 5 -6.799 5.925 2.956 1.00 0.00 O ATOM 67 CB SER A 5 -9.018 6.420 0.856 1.00 0.00 C ATOM 68 OG SER A 5 -9.014 7.730 1.417 1.00 0.00 O ATOM 0 H SER A 5 -8.359 3.985 1.239 1.00 0.00 H new ATOM 0 HA SER A 5 -7.214 6.205 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.511 6.443 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.600 5.754 1.493 1.00 0.00 H new ATOM 0 HG SER A 5 -8.387 8.296 0.921 1.00 0.00 H new ATOM 74 N VAL A 6 -5.835 7.314 1.454 1.00 0.00 N ATOM 75 CA VAL A 6 -4.914 7.895 2.415 1.00 0.00 C ATOM 76 C VAL A 6 -5.353 9.325 2.737 1.00 0.00 C ATOM 77 O VAL A 6 -5.622 10.114 1.832 1.00 0.00 O ATOM 78 CB VAL A 6 -3.482 7.815 1.882 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.537 8.685 2.715 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.994 6.366 1.835 1.00 0.00 C ATOM 0 H VAL A 6 -5.754 7.686 0.508 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.931 7.332 3.348 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.482 8.201 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.526 8.610 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.867 9.723 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.544 8.342 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.974 6.338 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.017 5.942 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.643 5.785 1.180 1.00 0.00 H new ATOM 90 N LYS A 7 -5.413 9.616 4.028 1.00 0.00 N ATOM 91 CA LYS A 7 -5.815 10.937 4.480 1.00 0.00 C ATOM 92 C LYS A 7 -4.852 11.414 5.568 1.00 0.00 C ATOM 93 O LYS A 7 -5.282 11.869 6.627 1.00 0.00 O ATOM 94 CB LYS A 7 -7.282 10.930 4.916 1.00 0.00 C ATOM 95 CG LYS A 7 -8.212 10.798 3.708 1.00 0.00 C ATOM 96 CD LYS A 7 -9.655 11.138 4.088 1.00 0.00 C ATOM 97 CE LYS A 7 -9.842 12.650 4.231 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.159 13.062 3.694 1.00 0.00 N ATOM 0 H LYS A 7 -5.190 8.959 4.776 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.753 11.655 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.456 10.104 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.509 11.849 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.876 11.462 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.165 9.782 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.335 10.754 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.914 10.646 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.765 12.934 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.046 13.173 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.270 14.091 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.218 12.808 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.915 12.577 4.218 1.00 0.00 H new ATOM 112 N GLY A 8 -3.566 11.293 5.271 1.00 0.00 N ATOM 113 CA GLY A 8 -2.539 11.706 6.211 1.00 0.00 C ATOM 114 C GLY A 8 -1.173 11.797 5.527 1.00 0.00 C ATOM 115 O GLY A 8 -0.139 11.631 6.172 1.00 0.00 O ATOM 0 H GLY A 8 -3.213 10.915 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.801 12.674 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.490 10.996 7.036 1.00 0.00 H new ATOM 119 N MET A 9 -1.214 12.059 4.229 1.00 0.00 N ATOM 120 CA MET A 9 0.007 12.173 3.449 1.00 0.00 C ATOM 121 C MET A 9 0.719 13.496 3.737 1.00 0.00 C ATOM 122 O MET A 9 0.075 14.496 4.052 1.00 0.00 O ATOM 123 CB MET A 9 -0.328 12.087 1.959 1.00 0.00 C ATOM 124 CG MET A 9 0.458 10.961 1.285 1.00 0.00 C ATOM 125 SD MET A 9 1.234 11.565 -0.205 1.00 0.00 S ATOM 126 CE MET A 9 0.468 10.494 -1.410 1.00 0.00 C ATOM 0 H MET A 9 -2.074 12.196 3.698 1.00 0.00 H new ATOM 0 HA MET A 9 0.672 11.355 3.728 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.397 11.916 1.832 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.098 13.036 1.475 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.215 10.575 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.209 10.132 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.979 10.599 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.537 9.460 -1.074 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.581 10.768 -1.526 1.00 0.00 H new ATOM 136 N SER A 10 2.038 13.460 3.618 1.00 0.00 N ATOM 137 CA SER A 10 2.845 14.644 3.862 1.00 0.00 C ATOM 138 C SER A 10 3.657 14.989 2.612 1.00 0.00 C ATOM 139 O SER A 10 3.798 16.161 2.263 1.00 0.00 O ATOM 140 CB SER A 10 3.774 14.440 5.060 1.00 0.00 C ATOM 141 OG SER A 10 3.707 15.528 5.978 1.00 0.00 O ATOM 0 H SER A 10 2.568 12.629 3.356 1.00 0.00 H new ATOM 0 HA SER A 10 2.176 15.473 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.507 13.516 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.799 14.325 4.708 1.00 0.00 H new ATOM 0 HG SER A 10 4.313 15.360 6.730 1.00 0.00 H new ATOM 147 N CYS A 11 4.170 13.949 1.972 1.00 0.00 N ATOM 148 CA CYS A 11 4.965 14.128 0.769 1.00 0.00 C ATOM 149 C CYS A 11 6.428 14.303 1.181 1.00 0.00 C ATOM 150 O CYS A 11 6.736 14.390 2.369 1.00 0.00 O ATOM 151 CB CYS A 11 4.464 15.305 -0.070 1.00 0.00 C ATOM 152 SG CYS A 11 4.765 14.982 -1.846 1.00 0.00 S ATOM 0 H CYS A 11 4.051 12.979 2.264 1.00 0.00 H new ATOM 0 HA CYS A 11 4.871 13.247 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.399 15.459 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.972 16.220 0.233 1.00 0.00 H new ATOM 0 HG CYS A 11 4.334 15.987 -2.549 1.00 0.00 H new ATOM 158 N ASN A 12 7.291 14.348 0.177 1.00 0.00 N ATOM 159 CA ASN A 12 8.714 14.511 0.420 1.00 0.00 C ATOM 160 C ASN A 12 9.288 13.200 0.959 1.00 0.00 C ATOM 161 O ASN A 12 9.662 13.115 2.128 1.00 0.00 O ATOM 162 CB ASN A 12 8.974 15.604 1.459 1.00 0.00 C ATOM 163 CG ASN A 12 7.920 16.708 1.369 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.507 17.291 2.358 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.509 16.964 0.130 1.00 0.00 N ATOM 0 H ASN A 12 7.032 14.274 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 12 9.187 14.789 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.966 15.170 2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.965 16.029 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.807 17.685 -0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.896 16.439 -0.654 1.00 0.00 H new ATOM 172 N HIS A 13 9.340 12.208 0.081 1.00 0.00 N ATOM 173 CA HIS A 13 9.863 10.905 0.454 1.00 0.00 C ATOM 174 C HIS A 13 8.726 10.029 0.984 1.00 0.00 C ATOM 175 O HIS A 13 8.892 8.821 1.146 1.00 0.00 O ATOM 176 CB HIS A 13 11.016 11.046 1.449 1.00 0.00 C ATOM 177 CG HIS A 13 12.092 9.998 1.296 1.00 0.00 C ATOM 178 ND1 HIS A 13 12.390 9.401 0.083 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.936 9.446 2.214 1.00 0.00 C ATOM 180 CE1 HIS A 13 13.371 8.531 0.275 1.00 0.00 C ATOM 181 NE2 HIS A 13 13.708 8.560 1.597 1.00 0.00 N ATOM 0 H HIS A 13 9.028 12.281 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 13 10.278 10.411 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.465 12.032 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.616 10.996 2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.970 9.689 3.266 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.824 7.908 -0.482 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.433 7.994 2.038 1.00 0.00 H new ATOM 189 N CYS A 14 7.596 10.672 1.240 1.00 0.00 N ATOM 190 CA CYS A 14 6.432 9.967 1.749 1.00 0.00 C ATOM 191 C CYS A 14 5.947 8.999 0.669 1.00 0.00 C ATOM 192 O CYS A 14 5.855 7.795 0.905 1.00 0.00 O ATOM 193 CB CYS A 14 5.330 10.935 2.185 1.00 0.00 C ATOM 194 SG CYS A 14 5.769 11.703 3.787 1.00 0.00 S ATOM 0 H CYS A 14 7.462 11.674 1.104 1.00 0.00 H new ATOM 0 HA CYS A 14 6.705 9.406 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.192 11.707 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.382 10.404 2.275 1.00 0.00 H new ATOM 0 HG CYS A 14 6.256 12.890 3.580 1.00 0.00 H new ATOM 200 N VAL A 15 5.649 9.561 -0.494 1.00 0.00 N ATOM 201 CA VAL A 15 5.176 8.762 -1.611 1.00 0.00 C ATOM 202 C VAL A 15 6.004 7.480 -1.704 1.00 0.00 C ATOM 203 O VAL A 15 5.452 6.386 -1.809 1.00 0.00 O ATOM 204 CB VAL A 15 5.210 9.590 -2.898 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.342 8.688 -4.127 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.975 10.487 -3.006 1.00 0.00 C ATOM 0 H VAL A 15 5.726 10.560 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 15 4.138 8.467 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 15 6.089 10.234 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.364 9.301 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.265 8.112 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.492 8.008 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.024 11.064 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.076 9.870 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.943 11.167 -2.154 1.00 0.00 H new ATOM 216 N ALA A 16 7.317 7.657 -1.661 1.00 0.00 N ATOM 217 CA ALA A 16 8.227 6.527 -1.738 1.00 0.00 C ATOM 218 C ALA A 16 8.050 5.649 -0.498 1.00 0.00 C ATOM 219 O ALA A 16 7.755 4.460 -0.612 1.00 0.00 O ATOM 220 CB ALA A 16 9.662 7.037 -1.891 1.00 0.00 C ATOM 0 H ALA A 16 7.772 8.566 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 16 8.004 5.913 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.345 6.190 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.742 7.630 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.922 7.655 -1.031 1.00 0.00 H new ATOM 226 N ARG A 17 8.237 6.268 0.658 1.00 0.00 N ATOM 227 CA ARG A 17 8.101 5.557 1.918 1.00 0.00 C ATOM 228 C ARG A 17 6.853 4.673 1.897 1.00 0.00 C ATOM 229 O ARG A 17 6.902 3.514 2.307 1.00 0.00 O ATOM 230 CB ARG A 17 8.007 6.532 3.093 1.00 0.00 C ATOM 231 CG ARG A 17 9.115 6.269 4.115 1.00 0.00 C ATOM 232 CD ARG A 17 9.667 7.582 4.675 1.00 0.00 C ATOM 233 NE ARG A 17 11.006 7.357 5.264 1.00 0.00 N ATOM 234 CZ ARG A 17 11.821 8.339 5.673 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.439 9.618 5.560 1.00 0.00 N ATOM 236 NH2 ARG A 17 13.019 8.041 6.195 1.00 0.00 N ATOM 0 H ARG A 17 8.482 7.254 0.749 1.00 0.00 H new ATOM 0 HA ARG A 17 8.988 4.936 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.081 7.556 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.034 6.435 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.726 5.657 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.920 5.702 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.730 8.327 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.989 7.978 5.432 1.00 0.00 H new ATOM 0 HE ARG A 17 11.329 6.395 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.527 9.845 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.060 10.365 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.310 7.067 6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.640 8.788 6.506 1.00 0.00 H new ATOM 250 N ILE A 18 5.764 5.253 1.415 1.00 0.00 N ATOM 251 CA ILE A 18 4.505 4.531 1.334 1.00 0.00 C ATOM 252 C ILE A 18 4.630 3.409 0.302 1.00 0.00 C ATOM 253 O ILE A 18 4.491 2.234 0.638 1.00 0.00 O ATOM 254 CB ILE A 18 3.351 5.497 1.056 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.290 6.598 2.116 1.00 0.00 C ATOM 256 CG2 ILE A 18 2.024 4.745 0.934 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.262 7.666 1.739 1.00 0.00 C ATOM 0 H ILE A 18 5.727 6.214 1.077 1.00 0.00 H new ATOM 0 HA ILE A 18 4.274 4.060 2.290 1.00 0.00 H new ATOM 0 HB ILE A 18 3.536 5.983 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.031 6.164 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.273 7.057 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.221 5.455 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.086 4.029 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.819 4.215 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.239 8.437 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.537 8.115 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.276 7.208 1.654 1.00 0.00 H new ATOM 269 N GLU A 19 4.891 3.811 -0.933 1.00 0.00 N ATOM 270 CA GLU A 19 5.036 2.853 -2.016 1.00 0.00 C ATOM 271 C GLU A 19 5.985 1.725 -1.604 1.00 0.00 C ATOM 272 O GLU A 19 5.660 0.549 -1.759 1.00 0.00 O ATOM 273 CB GLU A 19 5.524 3.540 -3.293 1.00 0.00 C ATOM 274 CG GLU A 19 6.243 2.548 -4.210 1.00 0.00 C ATOM 275 CD GLU A 19 7.728 2.451 -3.856 1.00 0.00 C ATOM 276 OE1 GLU A 19 8.393 3.508 -3.903 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.165 1.321 -3.546 1.00 0.00 O ATOM 0 H GLU A 19 5.006 4.787 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 19 4.058 2.420 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.677 3.980 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.198 4.357 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.780 1.565 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.133 2.861 -5.248 1.00 0.00 H new ATOM 284 N GLU A 20 7.137 2.124 -1.087 1.00 0.00 N ATOM 285 CA GLU A 20 8.135 1.161 -0.651 1.00 0.00 C ATOM 286 C GLU A 20 7.605 0.346 0.531 1.00 0.00 C ATOM 287 O GLU A 20 7.700 -0.880 0.537 1.00 0.00 O ATOM 288 CB GLU A 20 9.449 1.857 -0.293 1.00 0.00 C ATOM 289 CG GLU A 20 10.643 0.931 -0.533 1.00 0.00 C ATOM 290 CD GLU A 20 11.354 0.601 0.781 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.474 1.529 1.610 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.762 -0.571 0.927 1.00 0.00 O ATOM 0 H GLU A 20 7.402 3.101 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 20 8.338 0.478 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.560 2.762 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.428 2.166 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.304 0.011 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.343 1.406 -1.220 1.00 0.00 H new ATOM 299 N ALA A 21 7.059 1.061 1.504 1.00 0.00 N ATOM 300 CA ALA A 21 6.515 0.420 2.688 1.00 0.00 C ATOM 301 C ALA A 21 5.451 -0.597 2.270 1.00 0.00 C ATOM 302 O ALA A 21 5.443 -1.727 2.755 1.00 0.00 O ATOM 303 CB ALA A 21 5.961 1.485 3.637 1.00 0.00 C ATOM 0 H ALA A 21 6.982 2.078 1.496 1.00 0.00 H new ATOM 0 HA ALA A 21 7.296 -0.120 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.553 1.004 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.762 2.165 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.173 2.046 3.134 1.00 0.00 H new ATOM 309 N VAL A 22 4.580 -0.159 1.373 1.00 0.00 N ATOM 310 CA VAL A 22 3.515 -1.017 0.883 1.00 0.00 C ATOM 311 C VAL A 22 4.114 -2.111 -0.003 1.00 0.00 C ATOM 312 O VAL A 22 3.598 -3.227 -0.052 1.00 0.00 O ATOM 313 CB VAL A 22 2.456 -0.178 0.164 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.469 -1.071 -0.590 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.725 0.740 1.146 1.00 0.00 C ATOM 0 H VAL A 22 4.590 0.779 0.973 1.00 0.00 H new ATOM 0 HA VAL A 22 3.010 -1.511 1.713 1.00 0.00 H new ATOM 0 HB VAL A 22 2.965 0.450 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.727 -0.450 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.007 -1.664 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.969 -1.736 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.978 1.325 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.234 0.138 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.442 1.412 1.618 1.00 0.00 H new ATOM 325 N GLY A 23 5.194 -1.753 -0.682 1.00 0.00 N ATOM 326 CA GLY A 23 5.868 -2.690 -1.564 1.00 0.00 C ATOM 327 C GLY A 23 6.703 -3.693 -0.764 1.00 0.00 C ATOM 328 O GLY A 23 6.997 -4.785 -1.246 1.00 0.00 O ATOM 0 H GLY A 23 5.619 -0.827 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.132 -3.223 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.511 -2.146 -2.256 1.00 0.00 H new ATOM 332 N ARG A 24 7.061 -3.284 0.445 1.00 0.00 N ATOM 333 CA ARG A 24 7.856 -4.133 1.317 1.00 0.00 C ATOM 334 C ARG A 24 6.982 -5.228 1.932 1.00 0.00 C ATOM 335 O ARG A 24 7.485 -6.113 2.622 1.00 0.00 O ATOM 336 CB ARG A 24 8.504 -3.318 2.437 1.00 0.00 C ATOM 337 CG ARG A 24 9.893 -3.862 2.778 1.00 0.00 C ATOM 338 CD ARG A 24 9.858 -4.686 4.066 1.00 0.00 C ATOM 339 NE ARG A 24 11.234 -5.045 4.476 1.00 0.00 N ATOM 340 CZ ARG A 24 11.570 -5.446 5.709 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.633 -5.542 6.661 1.00 0.00 N ATOM 342 NH2 ARG A 24 12.845 -5.751 5.990 1.00 0.00 N ATOM 0 H ARG A 24 6.815 -2.377 0.841 1.00 0.00 H new ATOM 0 HA ARG A 24 8.641 -4.587 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.583 -2.274 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.871 -3.345 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.257 -4.479 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.594 -3.035 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.371 -4.117 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.268 -5.590 3.913 1.00 0.00 H new ATOM 0 HE ARG A 24 11.973 -4.983 3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.663 -5.310 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.889 -5.847 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.559 -5.678 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.101 -6.056 6.929 1.00 0.00 H new ATOM 356 N ILE A 25 5.689 -5.132 1.660 1.00 0.00 N ATOM 357 CA ILE A 25 4.741 -6.103 2.178 1.00 0.00 C ATOM 358 C ILE A 25 4.984 -7.456 1.506 1.00 0.00 C ATOM 359 O ILE A 25 4.870 -7.577 0.288 1.00 0.00 O ATOM 360 CB ILE A 25 3.308 -5.589 2.024 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.145 -4.215 2.679 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.299 -6.605 2.563 1.00 0.00 C ATOM 363 CD1 ILE A 25 3.617 -4.243 4.134 1.00 0.00 C ATOM 0 H ILE A 25 5.276 -4.396 1.087 1.00 0.00 H new ATOM 0 HA ILE A 25 4.890 -6.246 3.248 1.00 0.00 H new ATOM 0 HB ILE A 25 3.102 -5.465 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.716 -3.472 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.099 -3.910 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.289 -6.214 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.395 -7.541 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.493 -6.785 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.491 -3.255 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.028 -4.969 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.669 -4.525 4.170 1.00 0.00 H new ATOM 375 N SER A 26 5.315 -8.439 2.331 1.00 0.00 N ATOM 376 CA SER A 26 5.576 -9.778 1.832 1.00 0.00 C ATOM 377 C SER A 26 4.299 -10.370 1.230 1.00 0.00 C ATOM 378 O SER A 26 3.401 -10.789 1.959 1.00 0.00 O ATOM 379 CB SER A 26 6.109 -10.686 2.942 1.00 0.00 C ATOM 380 OG SER A 26 6.403 -11.996 2.465 1.00 0.00 O ATOM 0 H SER A 26 5.408 -8.334 3.341 1.00 0.00 H new ATOM 0 HA SER A 26 6.339 -9.711 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.010 -10.245 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.373 -10.749 3.744 1.00 0.00 H new ATOM 0 HG SER A 26 6.742 -12.544 3.203 1.00 0.00 H new ATOM 386 N GLY A 27 4.260 -10.386 -0.094 1.00 0.00 N ATOM 387 CA GLY A 27 3.108 -10.919 -0.802 1.00 0.00 C ATOM 388 C GLY A 27 2.647 -9.960 -1.901 1.00 0.00 C ATOM 389 O GLY A 27 1.741 -10.279 -2.669 1.00 0.00 O ATOM 0 H GLY A 27 5.007 -10.039 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.361 -11.885 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.293 -11.091 -0.099 1.00 0.00 H new ATOM 393 N VAL A 28 3.292 -8.803 -1.941 1.00 0.00 N ATOM 394 CA VAL A 28 2.960 -7.795 -2.933 1.00 0.00 C ATOM 395 C VAL A 28 3.882 -7.953 -4.144 1.00 0.00 C ATOM 396 O VAL A 28 5.062 -8.266 -3.993 1.00 0.00 O ATOM 397 CB VAL A 28 3.030 -6.401 -2.307 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.753 -5.317 -3.350 1.00 0.00 C ATOM 399 CG2 VAL A 28 2.066 -6.283 -1.124 1.00 0.00 C ATOM 0 H VAL A 28 4.043 -8.542 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 28 1.937 -7.928 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 28 4.042 -6.253 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.809 -4.336 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.495 -5.380 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.757 -5.462 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.135 -5.283 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.047 -6.462 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.329 -7.020 -0.366 1.00 0.00 H new ATOM 409 N LYS A 29 3.309 -7.730 -5.317 1.00 0.00 N ATOM 410 CA LYS A 29 4.066 -7.843 -6.553 1.00 0.00 C ATOM 411 C LYS A 29 4.255 -6.452 -7.160 1.00 0.00 C ATOM 412 O LYS A 29 5.324 -6.138 -7.681 1.00 0.00 O ATOM 413 CB LYS A 29 3.397 -8.842 -7.500 1.00 0.00 C ATOM 414 CG LYS A 29 3.958 -8.713 -8.918 1.00 0.00 C ATOM 415 CD LYS A 29 4.486 -10.057 -9.423 1.00 0.00 C ATOM 416 CE LYS A 29 5.783 -9.875 -10.214 1.00 0.00 C ATOM 417 NZ LYS A 29 5.604 -10.323 -11.613 1.00 0.00 N ATOM 0 H LYS A 29 2.330 -7.472 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 29 5.061 -8.242 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.554 -9.857 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.321 -8.671 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.180 -8.349 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.760 -7.975 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.662 -10.723 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.735 -10.533 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.082 -8.827 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.585 -10.443 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.494 -10.193 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.340 -11.329 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.852 -9.763 -12.063 1.00 0.00 H new ATOM 431 N LYS A 30 3.200 -5.654 -7.072 1.00 0.00 N ATOM 432 CA LYS A 30 3.237 -4.304 -7.606 1.00 0.00 C ATOM 433 C LYS A 30 2.508 -3.361 -6.647 1.00 0.00 C ATOM 434 O LYS A 30 1.557 -3.763 -5.978 1.00 0.00 O ATOM 435 CB LYS A 30 2.685 -4.277 -9.033 1.00 0.00 C ATOM 436 CG LYS A 30 3.150 -5.501 -9.824 1.00 0.00 C ATOM 437 CD LYS A 30 4.617 -5.363 -10.237 1.00 0.00 C ATOM 438 CE LYS A 30 4.752 -5.269 -11.758 1.00 0.00 C ATOM 439 NZ LYS A 30 6.154 -4.987 -12.137 1.00 0.00 N ATOM 0 H LYS A 30 2.315 -5.917 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 30 4.266 -3.952 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.596 -4.250 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.013 -3.368 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.022 -6.399 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.529 -5.622 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.047 -4.474 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.184 -6.219 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.426 -6.203 -12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.101 -4.482 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.228 -4.926 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.453 -4.085 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.768 -5.752 -11.790 1.00 0.00 H new ATOM 453 N VAL A 31 2.981 -2.124 -6.611 1.00 0.00 N ATOM 454 CA VAL A 31 2.386 -1.120 -5.745 1.00 0.00 C ATOM 455 C VAL A 31 2.659 0.271 -6.320 1.00 0.00 C ATOM 456 O VAL A 31 3.711 0.506 -6.913 1.00 0.00 O ATOM 457 CB VAL A 31 2.905 -1.288 -4.315 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.417 -1.525 -4.305 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.533 -0.082 -3.451 1.00 0.00 C ATOM 0 H VAL A 31 3.770 -1.794 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 31 1.304 -1.247 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 31 2.425 -2.168 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.760 -1.641 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.647 -2.429 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.922 -0.674 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.914 -0.227 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.971 0.820 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.448 0.022 -3.419 1.00 0.00 H new ATOM 469 N LYS A 32 1.694 1.157 -6.125 1.00 0.00 N ATOM 470 CA LYS A 32 1.817 2.519 -6.617 1.00 0.00 C ATOM 471 C LYS A 32 0.933 3.442 -5.777 1.00 0.00 C ATOM 472 O LYS A 32 0.063 2.976 -5.043 1.00 0.00 O ATOM 473 CB LYS A 32 1.517 2.576 -8.116 1.00 0.00 C ATOM 474 CG LYS A 32 2.154 3.811 -8.757 1.00 0.00 C ATOM 475 CD LYS A 32 2.476 3.560 -10.231 1.00 0.00 C ATOM 476 CE LYS A 32 3.239 4.741 -10.834 1.00 0.00 C ATOM 477 NZ LYS A 32 3.973 4.318 -12.048 1.00 0.00 N ATOM 0 H LYS A 32 0.823 0.959 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 32 2.842 2.873 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.894 1.675 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.439 2.595 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.477 4.661 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.066 4.073 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.070 2.651 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.552 3.398 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.543 5.542 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.938 5.143 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.485 5.131 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.651 3.569 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.299 3.956 -12.753 1.00 0.00 H new ATOM 491 N VAL A 33 1.186 4.736 -5.912 1.00 0.00 N ATOM 492 CA VAL A 33 0.424 5.729 -5.175 1.00 0.00 C ATOM 493 C VAL A 33 0.022 6.862 -6.121 1.00 0.00 C ATOM 494 O VAL A 33 0.662 7.074 -7.150 1.00 0.00 O ATOM 495 CB VAL A 33 1.228 6.215 -3.967 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.327 7.189 -4.396 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.312 6.847 -2.918 1.00 0.00 C ATOM 0 H VAL A 33 1.909 5.119 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.494 5.292 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 33 1.708 5.348 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.883 7.519 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.005 6.691 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.877 8.052 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.908 7.184 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.210 7.698 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.416 6.110 -2.579 1.00 0.00 H new ATOM 507 N GLN A 34 -1.036 7.562 -5.738 1.00 0.00 N ATOM 508 CA GLN A 34 -1.531 8.669 -6.539 1.00 0.00 C ATOM 509 C GLN A 34 -1.735 9.908 -5.665 1.00 0.00 C ATOM 510 O GLN A 34 -2.709 9.992 -4.919 1.00 0.00 O ATOM 511 CB GLN A 34 -2.825 8.288 -7.260 1.00 0.00 C ATOM 512 CG GLN A 34 -2.650 6.992 -8.054 1.00 0.00 C ATOM 513 CD GLN A 34 -2.089 7.274 -9.449 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.739 7.859 -10.301 1.00 0.00 O ATOM 515 NE2 GLN A 34 -0.850 6.828 -9.635 1.00 0.00 N ATOM 0 H GLN A 34 -1.564 7.384 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.786 8.904 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.628 8.168 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.121 9.093 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.979 6.321 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.610 6.482 -8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.363 6.346 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.387 6.968 -10.533 1.00 0.00 H new ATOM 524 N LEU A 35 -0.799 10.838 -5.785 1.00 0.00 N ATOM 525 CA LEU A 35 -0.864 12.069 -5.015 1.00 0.00 C ATOM 526 C LEU A 35 -2.093 12.871 -5.446 1.00 0.00 C ATOM 527 O LEU A 35 -2.644 12.640 -6.522 1.00 0.00 O ATOM 528 CB LEU A 35 0.449 12.844 -5.133 1.00 0.00 C ATOM 529 CG LEU A 35 0.640 13.995 -4.143 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.540 13.499 -2.700 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.954 14.733 -4.407 1.00 0.00 C ATOM 0 H LEU A 35 0.009 10.764 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.983 11.849 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.274 12.143 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.522 13.245 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.167 14.712 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.679 14.337 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.442 13.056 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.311 12.750 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.065 15.546 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.788 14.040 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.946 15.140 -5.418 1.00 0.00 H new ATOM 543 N LYS A 36 -2.488 13.797 -4.585 1.00 0.00 N ATOM 544 CA LYS A 36 -3.642 14.635 -4.863 1.00 0.00 C ATOM 545 C LYS A 36 -4.847 13.747 -5.178 1.00 0.00 C ATOM 546 O LYS A 36 -5.826 14.208 -5.763 1.00 0.00 O ATOM 547 CB LYS A 36 -3.317 15.645 -5.966 1.00 0.00 C ATOM 548 CG LYS A 36 -2.204 16.599 -5.526 1.00 0.00 C ATOM 549 CD LYS A 36 -2.761 17.993 -5.233 1.00 0.00 C ATOM 550 CE LYS A 36 -1.668 19.057 -5.354 1.00 0.00 C ATOM 551 NZ LYS A 36 -1.820 19.815 -6.616 1.00 0.00 N ATOM 0 H LYS A 36 -2.029 13.986 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.903 15.228 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.012 15.117 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.211 16.215 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.713 16.205 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.446 16.663 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.571 18.218 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.186 18.015 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.720 19.739 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.687 18.584 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.070 20.533 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.748 19.163 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.749 20.282 -6.631 1.00 0.00 H new ATOM 565 N LYS A 37 -4.736 12.490 -4.776 1.00 0.00 N ATOM 566 CA LYS A 37 -5.805 11.533 -5.007 1.00 0.00 C ATOM 567 C LYS A 37 -6.260 10.949 -3.668 1.00 0.00 C ATOM 568 O LYS A 37 -7.446 10.686 -3.472 1.00 0.00 O ATOM 569 CB LYS A 37 -5.367 10.476 -6.023 1.00 0.00 C ATOM 570 CG LYS A 37 -6.488 10.176 -7.020 1.00 0.00 C ATOM 571 CD LYS A 37 -6.173 8.922 -7.838 1.00 0.00 C ATOM 572 CE LYS A 37 -6.726 9.042 -9.260 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.790 7.711 -9.905 1.00 0.00 N ATOM 0 H LYS A 37 -3.922 12.112 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.670 12.027 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.484 10.825 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.084 9.561 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.428 10.039 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.622 11.026 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.094 8.769 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.602 8.047 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.720 9.488 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.094 9.707 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.698 7.820 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.016 7.115 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.702 7.262 -9.685 1.00 0.00 H new ATOM 587 N GLU A 38 -5.293 10.762 -2.782 1.00 0.00 N ATOM 588 CA GLU A 38 -5.579 10.214 -1.467 1.00 0.00 C ATOM 589 C GLU A 38 -5.977 8.741 -1.581 1.00 0.00 C ATOM 590 O GLU A 38 -6.912 8.294 -0.918 1.00 0.00 O ATOM 591 CB GLU A 38 -6.669 11.023 -0.760 1.00 0.00 C ATOM 592 CG GLU A 38 -6.169 12.426 -0.409 1.00 0.00 C ATOM 593 CD GLU A 38 -7.240 13.216 0.347 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.412 13.137 -0.081 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.862 13.881 1.336 1.00 0.00 O ATOM 0 H GLU A 38 -4.311 10.980 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.674 10.280 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.547 11.096 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.980 10.506 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.268 12.353 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.896 12.957 -1.321 1.00 0.00 H new ATOM 602 N LYS A 39 -5.248 8.028 -2.427 1.00 0.00 N ATOM 603 CA LYS A 39 -5.514 6.615 -2.636 1.00 0.00 C ATOM 604 C LYS A 39 -4.238 5.929 -3.129 1.00 0.00 C ATOM 605 O LYS A 39 -3.439 6.533 -3.842 1.00 0.00 O ATOM 606 CB LYS A 39 -6.712 6.427 -3.569 1.00 0.00 C ATOM 607 CG LYS A 39 -7.037 7.725 -4.312 1.00 0.00 C ATOM 608 CD LYS A 39 -8.276 7.556 -5.194 1.00 0.00 C ATOM 609 CE LYS A 39 -8.110 6.374 -6.151 1.00 0.00 C ATOM 610 NZ LYS A 39 -8.861 6.612 -7.404 1.00 0.00 N ATOM 0 H LYS A 39 -4.474 8.402 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.793 6.137 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.497 5.636 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.580 6.107 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.204 8.527 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.186 8.019 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.154 7.401 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.448 8.469 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.054 6.226 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.466 5.460 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.555 5.930 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.879 6.495 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.677 7.579 -7.741 1.00 0.00 H new ATOM 624 N ALA A 40 -4.086 4.675 -2.728 1.00 0.00 N ATOM 625 CA ALA A 40 -2.921 3.900 -3.120 1.00 0.00 C ATOM 626 C ALA A 40 -3.379 2.598 -3.781 1.00 0.00 C ATOM 627 O ALA A 40 -4.375 2.006 -3.370 1.00 0.00 O ATOM 628 CB ALA A 40 -2.038 3.652 -1.896 1.00 0.00 C ATOM 0 H ALA A 40 -4.750 4.177 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.323 4.448 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.164 3.071 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.716 4.607 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.604 3.102 -1.145 1.00 0.00 H new ATOM 634 N VAL A 41 -2.629 2.192 -4.795 1.00 0.00 N ATOM 635 CA VAL A 41 -2.945 0.971 -5.518 1.00 0.00 C ATOM 636 C VAL A 41 -1.923 -0.109 -5.158 1.00 0.00 C ATOM 637 O VAL A 41 -0.743 0.186 -4.969 1.00 0.00 O ATOM 638 CB VAL A 41 -3.011 1.255 -7.020 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.631 1.623 -7.570 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.603 0.065 -7.777 1.00 0.00 C ATOM 0 H VAL A 41 -1.803 2.687 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.927 0.598 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.670 2.110 -7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.706 1.820 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.263 2.514 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.940 0.797 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.639 0.293 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.981 -0.815 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.612 -0.132 -7.414 1.00 0.00 H new ATOM 650 N VAL A 42 -2.412 -1.337 -5.073 1.00 0.00 N ATOM 651 CA VAL A 42 -1.556 -2.462 -4.738 1.00 0.00 C ATOM 652 C VAL A 42 -2.040 -3.705 -5.488 1.00 0.00 C ATOM 653 O VAL A 42 -3.238 -3.874 -5.711 1.00 0.00 O ATOM 654 CB VAL A 42 -1.516 -2.657 -3.221 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.761 -3.936 -2.852 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.903 -1.439 -2.528 1.00 0.00 C ATOM 0 H VAL A 42 -3.391 -1.578 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.531 -2.269 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.542 -2.761 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.747 -4.051 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.259 -4.795 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.262 -3.875 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.886 -1.603 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.115 -1.290 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.500 -0.555 -2.751 1.00 0.00 H new ATOM 666 N LYS A 43 -1.083 -4.544 -5.857 1.00 0.00 N ATOM 667 CA LYS A 43 -1.396 -5.767 -6.577 1.00 0.00 C ATOM 668 C LYS A 43 -0.694 -6.946 -5.900 1.00 0.00 C ATOM 669 O LYS A 43 0.482 -7.203 -6.154 1.00 0.00 O ATOM 670 CB LYS A 43 -1.053 -5.617 -8.060 1.00 0.00 C ATOM 671 CG LYS A 43 -1.972 -6.484 -8.925 1.00 0.00 C ATOM 672 CD LYS A 43 -1.549 -6.434 -10.395 1.00 0.00 C ATOM 673 CE LYS A 43 -0.619 -7.599 -10.738 1.00 0.00 C ATOM 674 NZ LYS A 43 -1.204 -8.428 -11.816 1.00 0.00 N ATOM 0 H LYS A 43 -0.090 -4.401 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.467 -5.968 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.149 -4.572 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.014 -5.902 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.946 -7.514 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.001 -6.139 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.432 -6.469 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.045 -5.489 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.352 -7.217 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.450 -8.211 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.560 -9.215 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.120 -8.808 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.343 -7.845 -12.666 1.00 0.00 H new ATOM 688 N PHE A 44 -1.446 -7.632 -5.051 1.00 0.00 N ATOM 689 CA PHE A 44 -0.911 -8.778 -4.335 1.00 0.00 C ATOM 690 C PHE A 44 -1.838 -9.988 -4.467 1.00 0.00 C ATOM 691 O PHE A 44 -2.875 -9.912 -5.124 1.00 0.00 O ATOM 692 CB PHE A 44 -0.816 -8.381 -2.861 1.00 0.00 C ATOM 693 CG PHE A 44 -2.018 -7.580 -2.354 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.280 -8.033 -2.577 1.00 0.00 C ATOM 695 CD2 PHE A 44 -1.823 -6.414 -1.681 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.395 -7.290 -2.107 1.00 0.00 C ATOM 697 CE2 PHE A 44 -2.938 -5.671 -1.211 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.200 -6.125 -1.434 1.00 0.00 C ATOM 0 H PHE A 44 -2.421 -7.416 -4.843 1.00 0.00 H new ATOM 0 HA PHE A 44 0.061 -9.052 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.713 -9.283 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.089 -7.793 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.435 -8.958 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.820 -6.054 -1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.398 -7.650 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.784 -4.745 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.048 -5.560 -1.076 1.00 0.00 H new ATOM 708 N ASP A 45 -1.430 -11.077 -3.832 1.00 0.00 N ATOM 709 CA ASP A 45 -2.211 -12.302 -3.870 1.00 0.00 C ATOM 710 C ASP A 45 -3.104 -12.371 -2.629 1.00 0.00 C ATOM 711 O ASP A 45 -2.637 -12.159 -1.511 1.00 0.00 O ATOM 712 CB ASP A 45 -1.304 -13.534 -3.868 1.00 0.00 C ATOM 713 CG ASP A 45 -2.031 -14.871 -3.713 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.194 -14.942 -4.165 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.406 -15.794 -3.145 1.00 0.00 O ATOM 0 H ASP A 45 -0.569 -11.137 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.806 -12.294 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.738 -13.551 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.582 -13.434 -3.058 1.00 0.00 H new ATOM 720 N GLU A 46 -4.373 -12.668 -2.868 1.00 0.00 N ATOM 721 CA GLU A 46 -5.335 -12.767 -1.784 1.00 0.00 C ATOM 722 C GLU A 46 -5.091 -14.041 -0.972 1.00 0.00 C ATOM 723 O GLU A 46 -5.472 -14.121 0.195 1.00 0.00 O ATOM 724 CB GLU A 46 -6.769 -12.724 -2.317 1.00 0.00 C ATOM 725 CG GLU A 46 -7.732 -12.189 -1.256 1.00 0.00 C ATOM 726 CD GLU A 46 -8.103 -10.731 -1.538 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.959 -10.524 -2.425 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.523 -9.857 -0.859 1.00 0.00 O ATOM 0 H GLU A 46 -4.757 -12.843 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.200 -11.908 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.812 -12.092 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.077 -13.724 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.634 -12.800 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.273 -12.267 -0.270 1.00 0.00 H new ATOM 735 N ALA A 47 -4.456 -15.006 -1.622 1.00 0.00 N ATOM 736 CA ALA A 47 -4.157 -16.272 -0.975 1.00 0.00 C ATOM 737 C ALA A 47 -2.816 -16.163 -0.247 1.00 0.00 C ATOM 738 O ALA A 47 -2.211 -17.175 0.104 1.00 0.00 O ATOM 739 CB ALA A 47 -4.164 -17.392 -2.017 1.00 0.00 C ATOM 0 H ALA A 47 -4.141 -14.936 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.918 -16.512 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.940 -18.342 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.147 -17.447 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.411 -17.186 -2.777 1.00 0.00 H new ATOM 745 N ASN A 48 -2.389 -14.925 -0.041 1.00 0.00 N ATOM 746 CA ASN A 48 -1.131 -14.670 0.639 1.00 0.00 C ATOM 747 C ASN A 48 -1.295 -13.469 1.573 1.00 0.00 C ATOM 748 O ASN A 48 -0.874 -13.515 2.728 1.00 0.00 O ATOM 749 CB ASN A 48 -0.020 -14.343 -0.361 1.00 0.00 C ATOM 750 CG ASN A 48 1.196 -15.245 -0.144 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.194 -14.855 0.439 1.00 0.00 O ATOM 752 ND2 ASN A 48 1.058 -16.470 -0.645 1.00 0.00 N ATOM 0 H ASN A 48 -2.893 -14.088 -0.334 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.862 -15.567 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.393 -14.468 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.274 -13.299 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.815 -17.147 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.195 -16.732 -1.122 1.00 0.00 H new ATOM 759 N VAL A 49 -1.906 -12.423 1.037 1.00 0.00 N ATOM 760 CA VAL A 49 -2.131 -11.212 1.808 1.00 0.00 C ATOM 761 C VAL A 49 -3.574 -10.745 1.607 1.00 0.00 C ATOM 762 O VAL A 49 -4.263 -11.217 0.704 1.00 0.00 O ATOM 763 CB VAL A 49 -1.100 -10.149 1.424 1.00 0.00 C ATOM 764 CG1 VAL A 49 -1.326 -9.657 -0.007 1.00 0.00 C ATOM 765 CG2 VAL A 49 -1.120 -8.983 2.415 1.00 0.00 C ATOM 0 H VAL A 49 -2.252 -12.389 0.078 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.998 -11.406 2.872 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.113 -10.609 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.580 -8.902 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.237 -10.495 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.322 -9.223 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.378 -8.241 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.109 -8.525 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.887 -9.351 3.414 1.00 0.00 H new ATOM 775 N GLN A 50 -3.989 -9.824 2.465 1.00 0.00 N ATOM 776 CA GLN A 50 -5.338 -9.289 2.393 1.00 0.00 C ATOM 777 C GLN A 50 -5.319 -7.884 1.787 1.00 0.00 C ATOM 778 O GLN A 50 -5.208 -7.729 0.572 1.00 0.00 O ATOM 779 CB GLN A 50 -5.999 -9.282 3.773 1.00 0.00 C ATOM 780 CG GLN A 50 -6.641 -10.637 4.079 1.00 0.00 C ATOM 781 CD GLN A 50 -8.162 -10.512 4.185 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.705 -10.039 5.170 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.817 -10.961 3.119 1.00 0.00 N ATOM 0 H GLN A 50 -3.415 -9.435 3.213 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.931 -9.935 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.256 -9.047 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.756 -8.499 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.385 -11.350 3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.239 -11.031 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.301 -11.345 2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.836 -10.921 3.092 1.00 0.00 H new ATOM 792 N ALA A 51 -5.430 -6.895 2.663 1.00 0.00 N ATOM 793 CA ALA A 51 -5.427 -5.508 2.229 1.00 0.00 C ATOM 794 C ALA A 51 -5.441 -4.595 3.457 1.00 0.00 C ATOM 795 O ALA A 51 -4.743 -3.582 3.489 1.00 0.00 O ATOM 796 CB ALA A 51 -6.620 -5.260 1.304 1.00 0.00 C ATOM 0 H ALA A 51 -5.522 -7.027 3.670 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.523 -5.285 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.618 -4.220 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.548 -5.913 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.546 -5.471 1.840 1.00 0.00 H new ATOM 802 N THR A 52 -6.243 -4.986 4.437 1.00 0.00 N ATOM 803 CA THR A 52 -6.357 -4.215 5.663 1.00 0.00 C ATOM 804 C THR A 52 -5.037 -4.245 6.436 1.00 0.00 C ATOM 805 O THR A 52 -4.692 -3.283 7.121 1.00 0.00 O ATOM 806 CB THR A 52 -7.540 -4.766 6.460 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.571 -3.803 6.262 1.00 0.00 O ATOM 808 CG2 THR A 52 -7.292 -4.742 7.970 1.00 0.00 C ATOM 0 H THR A 52 -6.820 -5.827 4.407 1.00 0.00 H new ATOM 0 HA THR A 52 -6.551 -3.163 5.452 1.00 0.00 H new ATOM 0 HB THR A 52 -7.746 -5.788 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.377 -4.083 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.163 -5.144 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.418 -5.349 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.119 -3.716 8.294 1.00 0.00 H new ATOM 816 N GLU A 53 -4.334 -5.360 6.301 1.00 0.00 N ATOM 817 CA GLU A 53 -3.059 -5.528 6.978 1.00 0.00 C ATOM 818 C GLU A 53 -2.028 -4.546 6.419 1.00 0.00 C ATOM 819 O GLU A 53 -1.275 -3.933 7.175 1.00 0.00 O ATOM 820 CB GLU A 53 -2.562 -6.970 6.862 1.00 0.00 C ATOM 821 CG GLU A 53 -2.131 -7.513 8.226 1.00 0.00 C ATOM 822 CD GLU A 53 -0.621 -7.756 8.267 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.112 -6.843 7.828 1.00 0.00 O ATOM 824 OE2 GLU A 53 -0.234 -8.848 8.735 1.00 0.00 O ATOM 0 H GLU A 53 -4.623 -6.156 5.733 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.201 -5.312 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.351 -7.598 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.723 -7.015 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.411 -6.807 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.659 -8.444 8.434 1.00 0.00 H new ATOM 831 N ILE A 54 -2.025 -4.427 5.100 1.00 0.00 N ATOM 832 CA ILE A 54 -1.098 -3.529 4.431 1.00 0.00 C ATOM 833 C ILE A 54 -1.328 -2.101 4.929 1.00 0.00 C ATOM 834 O ILE A 54 -0.375 -1.355 5.147 1.00 0.00 O ATOM 835 CB ILE A 54 -1.212 -3.677 2.912 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.584 -4.989 2.440 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.612 -2.464 2.197 1.00 0.00 C ATOM 838 CD1 ILE A 54 -0.681 -5.128 0.919 1.00 0.00 C ATOM 0 H ILE A 54 -2.650 -4.937 4.476 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.069 -3.790 4.678 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.270 -3.715 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.461 -5.027 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.087 -5.830 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.706 -2.594 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.144 -1.562 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.441 -2.370 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.227 -6.070 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.729 -5.114 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.156 -4.299 0.444 1.00 0.00 H new ATOM 850 N CYS A 55 -2.599 -1.764 5.095 1.00 0.00 N ATOM 851 CA CYS A 55 -2.966 -0.438 5.564 1.00 0.00 C ATOM 852 C CYS A 55 -2.262 -0.189 6.899 1.00 0.00 C ATOM 853 O CYS A 55 -1.759 0.906 7.145 1.00 0.00 O ATOM 854 CB CYS A 55 -4.483 -0.279 5.680 1.00 0.00 C ATOM 855 SG CYS A 55 -5.075 0.967 4.478 1.00 0.00 S ATOM 0 H CYS A 55 -3.387 -2.386 4.913 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.643 0.309 4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.972 -1.235 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.749 0.025 6.692 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.320 1.249 4.723 1.00 0.00 H new ATOM 861 N GLN A 56 -2.249 -1.223 7.727 1.00 0.00 N ATOM 862 CA GLN A 56 -1.616 -1.130 9.031 1.00 0.00 C ATOM 863 C GLN A 56 -0.166 -0.664 8.885 1.00 0.00 C ATOM 864 O GLN A 56 0.360 0.024 9.759 1.00 0.00 O ATOM 865 CB GLN A 56 -1.690 -2.466 9.774 1.00 0.00 C ATOM 866 CG GLN A 56 -2.081 -2.258 11.238 1.00 0.00 C ATOM 867 CD GLN A 56 -1.383 -3.278 12.141 1.00 0.00 C ATOM 868 OE1 GLN A 56 -1.915 -4.328 12.462 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.166 -2.911 12.533 1.00 0.00 N ATOM 0 H GLN A 56 -2.667 -2.130 7.520 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.157 -0.392 9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.418 -3.116 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.725 -2.970 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.814 -1.248 11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.162 -2.350 11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.220 -2.018 12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.381 -3.523 13.139 1.00 0.00 H new ATOM 878 N ALA A 57 0.439 -1.057 7.774 1.00 0.00 N ATOM 879 CA ALA A 57 1.818 -0.688 7.502 1.00 0.00 C ATOM 880 C ALA A 57 1.909 0.828 7.319 1.00 0.00 C ATOM 881 O ALA A 57 2.902 1.445 7.702 1.00 0.00 O ATOM 882 CB ALA A 57 2.320 -1.455 6.276 1.00 0.00 C ATOM 0 H ALA A 57 -0.000 -1.627 7.051 1.00 0.00 H new ATOM 0 HA ALA A 57 2.460 -0.958 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.354 -1.178 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.262 -2.526 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.701 -1.207 5.413 1.00 0.00 H new ATOM 888 N ILE A 58 0.860 1.385 6.733 1.00 0.00 N ATOM 889 CA ILE A 58 0.809 2.818 6.494 1.00 0.00 C ATOM 890 C ILE A 58 0.787 3.553 7.836 1.00 0.00 C ATOM 891 O ILE A 58 1.664 4.369 8.114 1.00 0.00 O ATOM 892 CB ILE A 58 -0.369 3.167 5.582 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.072 2.782 4.131 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.747 4.644 5.717 1.00 0.00 C ATOM 895 CD1 ILE A 58 -0.810 1.500 3.742 1.00 0.00 C ATOM 0 H ILE A 58 0.038 0.870 6.416 1.00 0.00 H new ATOM 0 HA ILE A 58 1.702 3.149 5.963 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.232 2.583 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.371 3.593 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.001 2.642 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.587 4.866 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.029 4.855 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.105 5.264 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.582 1.249 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.491 0.685 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.884 1.651 3.850 1.00 0.00 H new ATOM 907 N ASN A 59 -0.225 3.238 8.631 1.00 0.00 N ATOM 908 CA ASN A 59 -0.372 3.859 9.936 1.00 0.00 C ATOM 909 C ASN A 59 0.920 3.673 10.733 1.00 0.00 C ATOM 910 O ASN A 59 1.226 4.468 11.621 1.00 0.00 O ATOM 911 CB ASN A 59 -1.513 3.214 10.727 1.00 0.00 C ATOM 912 CG ASN A 59 -2.812 4.005 10.558 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.831 5.224 10.553 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.894 3.244 10.422 1.00 0.00 N ATOM 0 H ASN A 59 -0.951 2.561 8.396 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.591 4.916 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.661 2.188 10.389 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.247 3.166 11.783 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.810 3.677 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.808 2.228 10.435 1.00 0.00 H new ATOM 921 N GLU A 60 1.645 2.619 10.388 1.00 0.00 N ATOM 922 CA GLU A 60 2.897 2.319 11.060 1.00 0.00 C ATOM 923 C GLU A 60 3.978 3.317 10.639 1.00 0.00 C ATOM 924 O GLU A 60 5.159 2.975 10.591 1.00 0.00 O ATOM 925 CB GLU A 60 3.339 0.881 10.780 1.00 0.00 C ATOM 926 CG GLU A 60 3.716 0.161 12.076 1.00 0.00 C ATOM 927 CD GLU A 60 2.467 -0.258 12.854 1.00 0.00 C ATOM 928 OE1 GLU A 60 1.518 0.556 12.884 1.00 0.00 O ATOM 929 OE2 GLU A 60 2.488 -1.381 13.401 1.00 0.00 O ATOM 0 H GLU A 60 1.389 1.962 9.651 1.00 0.00 H new ATOM 0 HA GLU A 60 2.742 2.414 12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.535 0.341 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.191 0.885 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.317 -0.718 11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.331 0.815 12.694 1.00 0.00 H new ATOM 936 N LEU A 61 3.536 4.531 10.346 1.00 0.00 N ATOM 937 CA LEU A 61 4.451 5.580 9.931 1.00 0.00 C ATOM 938 C LEU A 61 4.010 6.909 10.550 1.00 0.00 C ATOM 939 O LEU A 61 4.624 7.388 11.502 1.00 0.00 O ATOM 940 CB LEU A 61 4.564 5.620 8.406 1.00 0.00 C ATOM 941 CG LEU A 61 4.638 4.263 7.703 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.144 4.365 6.259 1.00 0.00 C ATOM 943 CD2 LEU A 61 6.050 3.679 7.786 1.00 0.00 C ATOM 0 H LEU A 61 2.556 4.811 10.388 1.00 0.00 H new ATOM 0 HA LEU A 61 5.457 5.375 10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.706 6.165 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.453 6.192 8.142 1.00 0.00 H new ATOM 0 HG LEU A 61 3.973 3.573 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.207 3.387 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.109 4.706 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.763 5.076 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.075 2.715 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.754 4.360 7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.328 3.546 8.832 1.00 0.00 H new ATOM 955 N GLY A 62 2.950 7.466 9.983 1.00 0.00 N ATOM 956 CA GLY A 62 2.421 8.730 10.467 1.00 0.00 C ATOM 957 C GLY A 62 1.382 9.296 9.497 1.00 0.00 C ATOM 958 O GLY A 62 1.339 10.503 9.263 1.00 0.00 O ATOM 0 H GLY A 62 2.443 7.066 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.968 8.587 11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.234 9.445 10.592 1.00 0.00 H new ATOM 962 N TYR A 63 0.570 8.398 8.959 1.00 0.00 N ATOM 963 CA TYR A 63 -0.466 8.793 8.020 1.00 0.00 C ATOM 964 C TYR A 63 -1.716 7.926 8.185 1.00 0.00 C ATOM 965 O TYR A 63 -1.697 6.936 8.915 1.00 0.00 O ATOM 966 CB TYR A 63 0.119 8.563 6.625 1.00 0.00 C ATOM 967 CG TYR A 63 1.645 8.656 6.567 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.274 9.853 6.842 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.392 7.542 6.240 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.711 9.940 6.788 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.828 7.630 6.186 1.00 0.00 C ATOM 972 CZ TYR A 63 4.417 8.825 6.462 1.00 0.00 C ATOM 973 OH TYR A 63 5.773 8.907 6.411 1.00 0.00 O ATOM 0 H TYR A 63 0.609 7.398 9.156 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.758 9.830 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.188 7.579 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.306 9.296 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.689 10.724 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.900 6.605 6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.216 10.870 7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.425 6.766 5.932 1.00 0.00 H new ATOM 0 HH TYR A 63 6.145 8.034 6.167 1.00 0.00 H new ATOM 983 N GLN A 64 -2.773 8.329 7.496 1.00 0.00 N ATOM 984 CA GLN A 64 -4.029 7.602 7.557 1.00 0.00 C ATOM 985 C GLN A 64 -4.254 6.820 6.261 1.00 0.00 C ATOM 986 O GLN A 64 -3.904 7.291 5.180 1.00 0.00 O ATOM 987 CB GLN A 64 -5.198 8.548 7.836 1.00 0.00 C ATOM 988 CG GLN A 64 -6.086 8.006 8.958 1.00 0.00 C ATOM 989 CD GLN A 64 -6.466 9.116 9.941 1.00 0.00 C ATOM 990 OE1 GLN A 64 -6.795 10.229 9.564 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.403 8.751 11.219 1.00 0.00 N ATOM 0 H GLN A 64 -2.785 9.151 6.892 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.975 6.892 8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.817 9.531 8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.790 8.678 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.989 7.567 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.563 7.209 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.120 7.803 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.638 9.420 11.953 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.835 5.640 6.412 1.00 0.00 N ATOM 1001 CA ALA A 65 -5.111 4.789 5.267 1.00 0.00 C ATOM 1002 C ALA A 65 -6.409 4.017 5.512 1.00 0.00 C ATOM 1003 O ALA A 65 -6.590 3.419 6.572 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.918 3.862 5.022 1.00 0.00 C ATOM 0 H ALA A 65 -5.123 5.252 7.310 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.249 5.388 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.124 3.223 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.028 4.459 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.751 3.243 5.903 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.279 4.054 4.513 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.555 3.365 4.606 1.00 0.00 C ATOM 1012 C GLU A 66 -8.728 2.407 3.426 1.00 0.00 C ATOM 1013 O GLU A 66 -8.689 2.827 2.270 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.712 4.363 4.677 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.106 4.644 6.129 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.543 4.198 6.404 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.429 4.634 5.637 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.724 3.432 7.375 1.00 0.00 O ATOM 0 H GLU A 66 -7.125 4.550 3.635 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.565 2.781 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.425 5.294 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.571 3.969 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.425 4.123 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.006 5.709 6.337 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.916 1.138 3.758 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.096 0.117 2.740 1.00 0.00 C ATOM 1027 C VAL A 67 -10.424 0.351 2.017 1.00 0.00 C ATOM 1028 O VAL A 67 -11.422 0.703 2.644 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.995 -1.274 3.370 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.272 -2.366 2.334 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.630 -1.478 4.031 1.00 0.00 C ATOM 0 H VAL A 67 -8.948 0.794 4.718 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.304 0.179 1.993 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.757 -1.347 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.194 -3.345 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.276 -2.238 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.544 -2.294 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.584 -2.474 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.844 -1.375 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.488 -0.730 4.811 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.393 0.147 0.709 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.583 0.332 -0.106 1.00 0.00 C ATOM 1043 C ILE A 68 -11.881 -0.963 -0.865 1.00 0.00 C ATOM 1044 O ILE A 68 -13.003 -1.466 -0.825 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.427 1.555 -1.012 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.178 2.356 -0.641 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.690 2.418 -0.989 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.092 3.647 -1.458 1.00 0.00 C ATOM 0 H ILE A 68 -9.563 -0.145 0.192 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.448 0.540 0.523 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.293 1.207 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.197 2.595 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.288 1.751 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.553 3.281 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.539 1.830 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.879 2.759 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.195 4.198 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.048 3.404 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.971 4.261 -1.262 1.00 0.00 H new