USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 378 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 35 ASN : amide:sc=-0.00861 X(o=-2.4,f=-2.9) USER MOD Set 1.2: A 38 SER OG : rot -40:sc= -2.43! USER MOD Single : A 5 ASN : amide:sc= -5.14! C(o=-5.1!,f=-13!) USER MOD Single : A 8 CYS SG : rot 180:sc= -1.21! USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.109 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= 0.576 (180deg=0) USER MOD Single : A 49 SER OG : rot 100:sc= 0.183 USER MOD Single : A 50 CYS SG : rot 140:sc= -3.45! USER MOD Single : A 58 SER OG : rot -34:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -4.511 4.625 4.409 1.00 0.00 N ATOM 16 CA ILE A 2 -4.316 3.602 3.396 1.00 0.00 C ATOM 17 C ILE A 2 -3.164 2.686 3.816 1.00 0.00 C ATOM 18 O ILE A 2 -1.996 3.058 3.700 1.00 0.00 O ATOM 19 CB ILE A 2 -4.122 4.240 2.019 1.00 0.00 C ATOM 20 CG1 ILE A 2 -3.087 5.365 2.077 1.00 0.00 C ATOM 21 CG2 ILE A 2 -5.457 4.719 1.445 1.00 0.00 C ATOM 22 CD1 ILE A 2 -3.752 6.707 2.388 1.00 0.00 C ATOM 0 HA ILE A 2 -5.206 2.978 3.310 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.733 3.480 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.342 5.139 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.560 5.428 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.292 5.169 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.135 3.872 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.896 5.459 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.994 7.489 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.479 6.941 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.258 6.648 3.352 1.00 0.00 H new ATOM 34 N GLU A 3 -3.531 1.508 4.296 1.00 0.00 N ATOM 35 CA GLU A 3 -2.543 0.537 4.734 1.00 0.00 C ATOM 36 C GLU A 3 -2.974 -0.877 4.336 1.00 0.00 C ATOM 37 O GLU A 3 -3.873 -1.047 3.513 1.00 0.00 O ATOM 38 CB GLU A 3 -2.310 0.634 6.242 1.00 0.00 C ATOM 39 CG GLU A 3 -3.121 1.781 6.850 1.00 0.00 C ATOM 40 CD GLU A 3 -2.809 1.944 8.339 1.00 0.00 C ATOM 41 OE1 GLU A 3 -2.137 1.040 8.881 1.00 0.00 O ATOM 42 OE2 GLU A 3 -3.249 2.971 8.901 1.00 0.00 O ATOM 0 H GLU A 3 -4.500 1.203 4.392 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.599 0.761 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.590 -0.306 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.249 0.789 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.896 2.709 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.186 1.589 6.717 1.00 0.00 H new ATOM 49 N VAL A 4 -2.313 -1.854 4.938 1.00 0.00 N ATOM 50 CA VAL A 4 -2.617 -3.247 4.657 1.00 0.00 C ATOM 51 C VAL A 4 -2.797 -4.002 5.976 1.00 0.00 C ATOM 52 O VAL A 4 -3.776 -3.786 6.690 1.00 0.00 O ATOM 53 CB VAL A 4 -1.529 -3.850 3.767 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.729 -3.446 2.305 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.135 -3.455 4.260 1.00 0.00 C ATOM 0 H VAL A 4 -1.568 -1.709 5.619 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.553 -3.330 4.105 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.610 -4.935 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.942 -3.888 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.700 -3.801 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.688 -2.360 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.620 -3.897 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.037 -2.370 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.007 -3.817 5.278 1.00 0.00 H new ATOM 65 N ASN A 5 -1.838 -4.870 6.261 1.00 0.00 N ATOM 66 CA ASN A 5 -1.879 -5.657 7.480 1.00 0.00 C ATOM 67 C ASN A 5 -0.705 -6.639 7.489 1.00 0.00 C ATOM 68 O ASN A 5 0.176 -6.565 6.633 1.00 0.00 O ATOM 69 CB ASN A 5 -3.173 -6.468 7.570 1.00 0.00 C ATOM 70 CG ASN A 5 -3.734 -6.762 6.177 1.00 0.00 C ATOM 71 OD1 ASN A 5 -3.038 -6.708 5.175 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.026 -7.075 6.169 1.00 0.00 N ATOM 0 H ASN A 5 -1.027 -5.045 5.668 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.824 -4.971 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.984 -7.404 8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.911 -5.919 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.494 -7.288 5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.550 -7.102 7.044 1.00 0.00 H new ATOM 79 N ASP A 6 -0.730 -7.534 8.464 1.00 0.00 N ATOM 80 CA ASP A 6 0.321 -8.529 8.595 1.00 0.00 C ATOM 81 C ASP A 6 0.099 -9.638 7.564 1.00 0.00 C ATOM 82 O ASP A 6 1.055 -10.160 6.993 1.00 0.00 O ATOM 83 CB ASP A 6 0.306 -9.167 9.986 1.00 0.00 C ATOM 84 CG ASP A 6 0.943 -10.555 10.067 1.00 0.00 C ATOM 85 OD1 ASP A 6 2.188 -10.604 10.156 1.00 0.00 O ATOM 86 OD2 ASP A 6 0.169 -11.537 10.039 1.00 0.00 O ATOM 0 H ASP A 6 -1.462 -7.592 9.172 1.00 0.00 H new ATOM 0 HA ASP A 6 1.278 -8.031 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.825 -8.505 10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.727 -9.237 10.326 1.00 0.00 H new ATOM 91 N ASP A 7 -1.168 -9.965 7.358 1.00 0.00 N ATOM 92 CA ASP A 7 -1.528 -11.002 6.405 1.00 0.00 C ATOM 93 C ASP A 7 -0.713 -10.817 5.125 1.00 0.00 C ATOM 94 O ASP A 7 -0.088 -11.761 4.642 1.00 0.00 O ATOM 95 CB ASP A 7 -3.011 -10.921 6.037 1.00 0.00 C ATOM 96 CG ASP A 7 -3.562 -12.143 5.299 1.00 0.00 C ATOM 97 OD1 ASP A 7 -2.788 -12.723 4.507 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.743 -12.468 5.542 1.00 0.00 O ATOM 0 H ASP A 7 -1.958 -9.530 7.834 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.323 -11.969 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.589 -10.775 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.168 -10.039 5.416 1.00 0.00 H new ATOM 103 N CYS A 8 -0.744 -9.597 4.611 1.00 0.00 N ATOM 104 CA CYS A 8 -0.015 -9.278 3.395 1.00 0.00 C ATOM 105 C CYS A 8 1.424 -9.772 3.554 1.00 0.00 C ATOM 106 O CYS A 8 1.888 -9.997 4.671 1.00 0.00 O ATOM 107 CB CYS A 8 -0.072 -7.782 3.078 1.00 0.00 C ATOM 108 SG CYS A 8 1.360 -7.142 2.131 1.00 0.00 S ATOM 0 H CYS A 8 -1.263 -8.817 5.014 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.480 -9.781 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.983 -7.579 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.147 -7.229 4.014 1.00 0.00 H new ATOM 0 HG CYS A 8 1.205 -5.869 1.918 1.00 0.00 H new ATOM 113 N MET A 9 2.092 -9.927 2.420 1.00 0.00 N ATOM 114 CA MET A 9 3.468 -10.391 2.419 1.00 0.00 C ATOM 115 C MET A 9 4.440 -9.223 2.240 1.00 0.00 C ATOM 116 O MET A 9 4.905 -8.642 3.219 1.00 0.00 O ATOM 117 CB MET A 9 3.666 -11.400 1.285 1.00 0.00 C ATOM 118 CG MET A 9 5.138 -11.801 1.160 1.00 0.00 C ATOM 119 SD MET A 9 5.416 -12.616 -0.403 1.00 0.00 S ATOM 120 CE MET A 9 5.462 -14.316 0.137 1.00 0.00 C ATOM 0 H MET A 9 1.705 -9.739 1.495 1.00 0.00 H new ATOM 0 HA MET A 9 3.673 -10.865 3.379 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.058 -12.286 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.322 -10.969 0.345 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.772 -10.918 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.414 -12.464 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.629 -14.966 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.271 -14.448 0.855 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.513 -14.574 0.608 1.00 0.00 H new ATOM 130 N ALA A 10 4.719 -8.916 0.981 1.00 0.00 N ATOM 131 CA ALA A 10 5.627 -7.828 0.661 1.00 0.00 C ATOM 132 C ALA A 10 5.871 -7.800 -0.849 1.00 0.00 C ATOM 133 O ALA A 10 7.000 -7.604 -1.296 1.00 0.00 O ATOM 134 CB ALA A 10 6.923 -7.993 1.458 1.00 0.00 C ATOM 0 H ALA A 10 4.332 -9.402 0.172 1.00 0.00 H new ATOM 0 HA ALA A 10 5.191 -6.869 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.604 -7.177 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.699 -7.977 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.390 -8.943 1.200 1.00 0.00 H new ATOM 140 N CYS A 11 4.793 -8.000 -1.594 1.00 0.00 N ATOM 141 CA CYS A 11 4.876 -8.001 -3.045 1.00 0.00 C ATOM 142 C CYS A 11 5.381 -6.629 -3.498 1.00 0.00 C ATOM 143 O CYS A 11 5.993 -6.508 -4.558 1.00 0.00 O ATOM 144 CB CYS A 11 3.533 -8.355 -3.687 1.00 0.00 C ATOM 145 SG CYS A 11 3.634 -9.571 -5.051 1.00 0.00 S ATOM 0 H CYS A 11 3.858 -8.162 -1.220 1.00 0.00 H new ATOM 0 HA CYS A 11 5.575 -8.771 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.870 -8.748 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.075 -7.441 -4.066 1.00 0.00 H new ATOM 0 HG CYS A 11 2.443 -9.798 -5.519 1.00 0.00 H new ATOM 150 N GLU A 12 5.105 -5.631 -2.672 1.00 0.00 N ATOM 151 CA GLU A 12 5.524 -4.272 -2.974 1.00 0.00 C ATOM 152 C GLU A 12 4.916 -3.812 -4.301 1.00 0.00 C ATOM 153 O GLU A 12 5.386 -2.848 -4.902 1.00 0.00 O ATOM 154 CB GLU A 12 7.049 -4.162 -3.003 1.00 0.00 C ATOM 155 CG GLU A 12 7.638 -4.345 -1.603 1.00 0.00 C ATOM 156 CD GLU A 12 9.150 -4.573 -1.670 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.713 -4.325 -2.758 1.00 0.00 O ATOM 158 OE2 GLU A 12 9.708 -4.989 -0.632 1.00 0.00 O ATOM 0 H GLU A 12 4.597 -5.736 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 12 5.160 -3.616 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.459 -4.916 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.340 -3.189 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.426 -3.464 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.160 -5.192 -1.111 1.00 0.00 H new ATOM 165 N ALA A 13 3.879 -4.524 -4.719 1.00 0.00 N ATOM 166 CA ALA A 13 3.202 -4.201 -5.963 1.00 0.00 C ATOM 167 C ALA A 13 2.447 -2.880 -5.800 1.00 0.00 C ATOM 168 O ALA A 13 2.572 -1.984 -6.632 1.00 0.00 O ATOM 169 CB ALA A 13 2.277 -5.356 -6.356 1.00 0.00 C ATOM 0 H ALA A 13 3.492 -5.323 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 13 3.923 -4.071 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.769 -5.114 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.865 -6.264 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.538 -5.513 -5.571 1.00 0.00 H new ATOM 175 N CYS A 14 1.682 -2.802 -4.722 1.00 0.00 N ATOM 176 CA CYS A 14 0.907 -1.606 -4.440 1.00 0.00 C ATOM 177 C CYS A 14 1.850 -0.402 -4.480 1.00 0.00 C ATOM 178 O CYS A 14 1.505 0.645 -5.026 1.00 0.00 O ATOM 179 CB CYS A 14 0.172 -1.710 -3.101 1.00 0.00 C ATOM 180 SG CYS A 14 1.092 -2.597 -1.788 1.00 0.00 S ATOM 0 H CYS A 14 1.582 -3.548 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 14 0.132 -1.485 -5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.057 -0.704 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.780 -2.215 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 14 0.379 -2.623 -0.701 1.00 0.00 H new ATOM 185 N VAL A 15 3.024 -0.590 -3.894 1.00 0.00 N ATOM 186 CA VAL A 15 4.020 0.467 -3.857 1.00 0.00 C ATOM 187 C VAL A 15 4.634 0.633 -5.248 1.00 0.00 C ATOM 188 O VAL A 15 5.062 1.726 -5.616 1.00 0.00 O ATOM 189 CB VAL A 15 5.060 0.168 -2.776 1.00 0.00 C ATOM 190 CG1 VAL A 15 4.388 -0.260 -1.471 1.00 0.00 C ATOM 191 CG2 VAL A 15 6.057 -0.891 -3.253 1.00 0.00 C ATOM 0 H VAL A 15 3.307 -1.459 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 15 3.558 1.418 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 15 5.614 1.086 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.150 -0.466 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.737 0.540 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.796 -1.159 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.786 -1.085 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.524 -1.812 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.572 -0.531 -4.144 1.00 0.00 H new ATOM 201 N GLU A 16 4.658 -0.468 -5.985 1.00 0.00 N ATOM 202 CA GLU A 16 5.212 -0.458 -7.328 1.00 0.00 C ATOM 203 C GLU A 16 4.335 0.382 -8.258 1.00 0.00 C ATOM 204 O GLU A 16 4.757 0.745 -9.355 1.00 0.00 O ATOM 205 CB GLU A 16 5.374 -1.881 -7.865 1.00 0.00 C ATOM 206 CG GLU A 16 6.737 -2.062 -8.536 1.00 0.00 C ATOM 207 CD GLU A 16 6.624 -1.918 -10.055 1.00 0.00 C ATOM 208 OE1 GLU A 16 6.368 -0.778 -10.499 1.00 0.00 O ATOM 209 OE2 GLU A 16 6.796 -2.951 -10.738 1.00 0.00 O ATOM 0 H GLU A 16 4.303 -1.373 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 16 6.203 -0.005 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.269 -2.596 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.581 -2.096 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.438 -1.323 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.140 -3.044 -8.289 1.00 0.00 H new ATOM 216 N ILE A 17 3.130 0.667 -7.786 1.00 0.00 N ATOM 217 CA ILE A 17 2.190 1.458 -8.561 1.00 0.00 C ATOM 218 C ILE A 17 2.048 2.843 -7.925 1.00 0.00 C ATOM 219 O ILE A 17 1.931 3.844 -8.631 1.00 0.00 O ATOM 220 CB ILE A 17 0.862 0.713 -8.715 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.326 0.837 -10.142 1.00 0.00 C ATOM 222 CG2 ILE A 17 -0.157 1.189 -7.677 1.00 0.00 C ATOM 223 CD1 ILE A 17 0.423 2.280 -10.642 1.00 0.00 C ATOM 0 H ILE A 17 2.783 0.364 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 17 2.564 1.609 -9.574 1.00 0.00 H new ATOM 0 HB ILE A 17 1.041 -0.346 -8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.890 0.180 -10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.712 0.506 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.092 0.644 -7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.232 1.007 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.338 2.256 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.035 2.340 -11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.162 2.930 -9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.465 2.599 -10.632 1.00 0.00 H new ATOM 235 N CYS A 18 2.065 2.855 -6.601 1.00 0.00 N ATOM 236 CA CYS A 18 1.940 4.101 -5.863 1.00 0.00 C ATOM 237 C CYS A 18 2.997 4.111 -4.757 1.00 0.00 C ATOM 238 O CYS A 18 2.670 3.977 -3.579 1.00 0.00 O ATOM 239 CB CYS A 18 0.528 4.287 -5.303 1.00 0.00 C ATOM 240 SG CYS A 18 -0.110 6.001 -5.386 1.00 0.00 S ATOM 0 H CYS A 18 2.163 2.023 -6.020 1.00 0.00 H new ATOM 0 HA CYS A 18 2.108 4.943 -6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.153 3.634 -5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.519 3.961 -4.263 1.00 0.00 H new ATOM 245 N PRO A 19 4.276 4.277 -5.187 1.00 0.00 N ATOM 246 CA PRO A 19 5.385 4.308 -4.247 1.00 0.00 C ATOM 247 C PRO A 19 5.428 5.639 -3.494 1.00 0.00 C ATOM 248 O PRO A 19 6.341 5.882 -2.707 1.00 0.00 O ATOM 249 CB PRO A 19 6.624 4.063 -5.092 1.00 0.00 C ATOM 250 CG PRO A 19 6.219 4.366 -6.525 1.00 0.00 C ATOM 251 CD PRO A 19 4.701 4.441 -6.575 1.00 0.00 C ATOM 0 HA PRO A 19 5.296 3.552 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.446 4.705 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.967 3.033 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.659 5.307 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.585 3.590 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.365 5.395 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.287 3.659 -7.211 1.00 0.00 H new ATOM 259 N ASP A 20 4.429 6.467 -3.763 1.00 0.00 N ATOM 260 CA ASP A 20 4.343 7.767 -3.121 1.00 0.00 C ATOM 261 C ASP A 20 3.381 7.681 -1.934 1.00 0.00 C ATOM 262 O ASP A 20 3.332 8.587 -1.102 1.00 0.00 O ATOM 263 CB ASP A 20 3.806 8.825 -4.088 1.00 0.00 C ATOM 264 CG ASP A 20 4.430 10.214 -3.938 1.00 0.00 C ATOM 265 OD1 ASP A 20 4.129 10.863 -2.913 1.00 0.00 O ATOM 266 OD2 ASP A 20 5.193 10.595 -4.851 1.00 0.00 O ATOM 0 H ASP A 20 3.673 6.263 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 20 5.344 8.050 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.968 8.479 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.728 8.910 -3.948 1.00 0.00 H new ATOM 271 N VAL A 21 2.639 6.585 -1.891 1.00 0.00 N ATOM 272 CA VAL A 21 1.682 6.369 -0.821 1.00 0.00 C ATOM 273 C VAL A 21 2.129 5.174 0.024 1.00 0.00 C ATOM 274 O VAL A 21 1.831 5.104 1.215 1.00 0.00 O ATOM 275 CB VAL A 21 0.277 6.198 -1.401 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.755 6.000 -0.288 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.097 7.385 -2.291 1.00 0.00 C ATOM 0 H VAL A 21 2.682 5.836 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 21 1.644 7.237 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 21 0.277 5.302 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.745 5.881 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.503 5.109 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.752 6.869 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.100 7.238 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.071 8.303 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.614 7.461 -3.114 1.00 0.00 H new ATOM 287 N PHE A 22 2.838 4.262 -0.626 1.00 0.00 N ATOM 288 CA PHE A 22 3.329 3.074 0.051 1.00 0.00 C ATOM 289 C PHE A 22 4.788 2.795 -0.320 1.00 0.00 C ATOM 290 O PHE A 22 5.170 2.914 -1.483 1.00 0.00 O ATOM 291 CB PHE A 22 2.464 1.902 -0.418 1.00 0.00 C ATOM 292 CG PHE A 22 0.972 2.229 -0.511 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.243 2.406 0.624 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.374 2.341 -1.728 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.141 2.709 0.538 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.011 2.643 -1.813 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.738 2.821 -0.678 1.00 0.00 C ATOM 0 H PHE A 22 3.084 4.322 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 22 3.276 3.213 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.815 1.573 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.600 1.066 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.717 2.316 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.952 2.200 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.720 2.851 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.487 2.731 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.791 3.052 -0.743 1.00 0.00 H new ATOM 307 N GLU A 23 5.562 2.432 0.692 1.00 0.00 N ATOM 308 CA GLU A 23 6.970 2.136 0.488 1.00 0.00 C ATOM 309 C GLU A 23 7.423 1.029 1.441 1.00 0.00 C ATOM 310 O GLU A 23 7.026 1.006 2.605 1.00 0.00 O ATOM 311 CB GLU A 23 7.825 3.392 0.660 1.00 0.00 C ATOM 312 CG GLU A 23 9.287 3.029 0.928 1.00 0.00 C ATOM 313 CD GLU A 23 9.604 3.098 2.423 1.00 0.00 C ATOM 314 OE1 GLU A 23 8.694 2.766 3.212 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.750 3.482 2.743 1.00 0.00 O ATOM 0 H GLU A 23 5.241 2.336 1.655 1.00 0.00 H new ATOM 0 HA GLU A 23 7.103 1.784 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.758 4.007 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.438 3.989 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.490 2.025 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.940 3.710 0.382 1.00 0.00 H new ATOM 322 N MET A 24 8.249 0.138 0.912 1.00 0.00 N ATOM 323 CA MET A 24 8.761 -0.970 1.702 1.00 0.00 C ATOM 324 C MET A 24 9.147 -0.508 3.108 1.00 0.00 C ATOM 325 O MET A 24 9.674 0.590 3.282 1.00 0.00 O ATOM 326 CB MET A 24 9.985 -1.569 1.007 1.00 0.00 C ATOM 327 CG MET A 24 9.799 -1.590 -0.512 1.00 0.00 C ATOM 328 SD MET A 24 10.685 -0.231 -1.254 1.00 0.00 S ATOM 329 CE MET A 24 11.410 -1.063 -2.658 1.00 0.00 C ATOM 0 H MET A 24 8.577 0.160 -0.054 1.00 0.00 H new ATOM 0 HA MET A 24 7.977 -1.723 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.872 -0.988 1.260 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.154 -2.583 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.160 -2.535 -0.918 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.739 -1.522 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.002 -0.353 -3.236 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.052 -1.872 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.619 -1.472 -3.287 1.00 0.00 H new ATOM 339 N ASN A 25 8.870 -1.369 4.076 1.00 0.00 N ATOM 340 CA ASN A 25 9.181 -1.064 5.462 1.00 0.00 C ATOM 341 C ASN A 25 10.694 -0.886 5.613 1.00 0.00 C ATOM 342 O ASN A 25 11.361 -0.416 4.694 1.00 0.00 O ATOM 343 CB ASN A 25 8.743 -2.199 6.389 1.00 0.00 C ATOM 344 CG ASN A 25 8.499 -1.683 7.809 1.00 0.00 C ATOM 345 OD1 ASN A 25 7.721 -0.773 8.042 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.205 -2.316 8.742 1.00 0.00 N ATOM 0 H ASN A 25 8.433 -2.279 3.928 1.00 0.00 H new ATOM 0 HA ASN A 25 8.649 -0.152 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.833 -2.658 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.508 -2.975 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.112 -2.047 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.839 -3.070 8.478 1.00 0.00 H new ATOM 353 N GLU A 26 11.188 -1.274 6.779 1.00 0.00 N ATOM 354 CA GLU A 26 12.610 -1.165 7.063 1.00 0.00 C ATOM 355 C GLU A 26 13.386 -2.244 6.304 1.00 0.00 C ATOM 356 O GLU A 26 14.569 -2.073 6.015 1.00 0.00 O ATOM 357 CB GLU A 26 12.877 -1.252 8.567 1.00 0.00 C ATOM 358 CG GLU A 26 13.975 -0.271 8.985 1.00 0.00 C ATOM 359 CD GLU A 26 14.545 -0.640 10.356 1.00 0.00 C ATOM 360 OE1 GLU A 26 14.856 -1.837 10.537 1.00 0.00 O ATOM 361 OE2 GLU A 26 14.657 0.283 11.191 1.00 0.00 O ATOM 0 H GLU A 26 10.630 -1.664 7.538 1.00 0.00 H new ATOM 0 HA GLU A 26 12.956 -0.189 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.961 -1.034 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.172 -2.268 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.773 -0.274 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.572 0.741 9.015 1.00 0.00 H new ATOM 368 N GLU A 27 12.690 -3.330 6.005 1.00 0.00 N ATOM 369 CA GLU A 27 13.299 -4.436 5.287 1.00 0.00 C ATOM 370 C GLU A 27 12.361 -4.934 4.184 1.00 0.00 C ATOM 371 O GLU A 27 12.642 -5.938 3.532 1.00 0.00 O ATOM 372 CB GLU A 27 13.673 -5.571 6.242 1.00 0.00 C ATOM 373 CG GLU A 27 14.103 -5.021 7.604 1.00 0.00 C ATOM 374 CD GLU A 27 14.911 -6.061 8.384 1.00 0.00 C ATOM 375 OE1 GLU A 27 14.277 -7.021 8.874 1.00 0.00 O ATOM 376 OE2 GLU A 27 16.143 -5.872 8.472 1.00 0.00 O ATOM 0 H GLU A 27 11.709 -3.468 6.247 1.00 0.00 H new ATOM 0 HA GLU A 27 14.218 -4.079 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.822 -6.240 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.482 -6.161 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.701 -4.120 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.223 -4.733 8.179 1.00 0.00 H new ATOM 383 N GLY A 28 11.268 -4.207 4.009 1.00 0.00 N ATOM 384 CA GLY A 28 10.288 -4.562 2.997 1.00 0.00 C ATOM 385 C GLY A 28 9.487 -5.796 3.418 1.00 0.00 C ATOM 386 O GLY A 28 8.935 -6.501 2.574 1.00 0.00 O ATOM 0 H GLY A 28 11.039 -3.374 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.611 -3.724 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.792 -4.757 2.050 1.00 0.00 H new ATOM 390 N ASP A 29 9.450 -6.021 4.723 1.00 0.00 N ATOM 391 CA ASP A 29 8.726 -7.159 5.267 1.00 0.00 C ATOM 392 C ASP A 29 7.226 -6.863 5.239 1.00 0.00 C ATOM 393 O ASP A 29 6.411 -7.740 5.524 1.00 0.00 O ATOM 394 CB ASP A 29 9.130 -7.426 6.718 1.00 0.00 C ATOM 395 CG ASP A 29 9.257 -8.904 7.092 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.367 -9.445 6.903 1.00 0.00 O ATOM 397 OD2 ASP A 29 8.239 -9.460 7.560 1.00 0.00 O ATOM 0 H ASP A 29 9.909 -5.435 5.420 1.00 0.00 H new ATOM 0 HA ASP A 29 8.965 -8.033 4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.084 -6.935 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.395 -6.962 7.375 1.00 0.00 H new ATOM 402 N LYS A 30 6.905 -5.624 4.893 1.00 0.00 N ATOM 403 CA LYS A 30 5.516 -5.203 4.826 1.00 0.00 C ATOM 404 C LYS A 30 5.442 -3.806 4.205 1.00 0.00 C ATOM 405 O LYS A 30 6.195 -2.911 4.589 1.00 0.00 O ATOM 406 CB LYS A 30 4.860 -5.298 6.205 1.00 0.00 C ATOM 407 CG LYS A 30 3.959 -6.532 6.298 1.00 0.00 C ATOM 408 CD LYS A 30 4.340 -7.399 7.500 1.00 0.00 C ATOM 409 CE LYS A 30 3.630 -8.753 7.446 1.00 0.00 C ATOM 410 NZ LYS A 30 4.398 -9.706 6.614 1.00 0.00 N ATOM 0 H LYS A 30 7.583 -4.899 4.656 1.00 0.00 H new ATOM 0 HA LYS A 30 4.946 -5.871 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.629 -5.346 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.273 -4.399 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.918 -6.221 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.042 -7.117 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.419 -7.551 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.077 -6.883 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.515 -9.151 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.627 -8.629 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.784 -10.086 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.207 -9.216 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.743 -10.486 7.209 1.00 0.00 H new ATOM 423 N ALA A 31 4.530 -3.663 3.256 1.00 0.00 N ATOM 424 CA ALA A 31 4.348 -2.391 2.578 1.00 0.00 C ATOM 425 C ALA A 31 3.997 -1.315 3.608 1.00 0.00 C ATOM 426 O ALA A 31 2.924 -1.350 4.207 1.00 0.00 O ATOM 427 CB ALA A 31 3.272 -2.536 1.499 1.00 0.00 C ATOM 0 H ALA A 31 3.908 -4.407 2.940 1.00 0.00 H new ATOM 0 HA ALA A 31 5.269 -2.086 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.136 -1.582 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.581 -3.291 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.332 -2.839 1.961 1.00 0.00 H new ATOM 433 N VAL A 32 4.925 -0.384 3.782 1.00 0.00 N ATOM 434 CA VAL A 32 4.728 0.700 4.729 1.00 0.00 C ATOM 435 C VAL A 32 3.889 1.799 4.073 1.00 0.00 C ATOM 436 O VAL A 32 3.799 1.868 2.849 1.00 0.00 O ATOM 437 CB VAL A 32 6.080 1.204 5.237 1.00 0.00 C ATOM 438 CG1 VAL A 32 6.333 2.645 4.789 1.00 0.00 C ATOM 439 CG2 VAL A 32 6.176 1.077 6.759 1.00 0.00 C ATOM 0 H VAL A 32 5.814 -0.359 3.283 1.00 0.00 H new ATOM 0 HA VAL A 32 4.178 0.348 5.602 1.00 0.00 H new ATOM 0 HB VAL A 32 6.857 0.577 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.301 2.978 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.329 2.693 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.549 3.292 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.147 1.442 7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.386 1.667 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.063 0.031 7.045 1.00 0.00 H new ATOM 449 N VAL A 33 3.297 2.630 4.917 1.00 0.00 N ATOM 450 CA VAL A 33 2.468 3.722 4.435 1.00 0.00 C ATOM 451 C VAL A 33 3.173 5.052 4.712 1.00 0.00 C ATOM 452 O VAL A 33 3.606 5.307 5.834 1.00 0.00 O ATOM 453 CB VAL A 33 1.076 3.641 5.064 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.223 4.847 4.666 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.381 2.329 4.691 1.00 0.00 C ATOM 0 H VAL A 33 3.375 2.570 5.932 1.00 0.00 H new ATOM 0 HA VAL A 33 2.327 3.647 3.357 1.00 0.00 H new ATOM 0 HB VAL A 33 1.196 3.660 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.761 4.764 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.707 5.763 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.115 4.874 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.607 2.297 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.279 2.267 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.975 1.488 5.048 1.00 0.00 H new ATOM 465 N ILE A 34 3.264 5.864 3.669 1.00 0.00 N ATOM 466 CA ILE A 34 3.909 7.162 3.786 1.00 0.00 C ATOM 467 C ILE A 34 2.841 8.256 3.815 1.00 0.00 C ATOM 468 O ILE A 34 2.957 9.222 4.567 1.00 0.00 O ATOM 469 CB ILE A 34 4.948 7.345 2.679 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.850 6.223 1.642 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.358 7.464 3.262 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.909 6.390 0.552 1.00 0.00 C ATOM 0 H ILE A 34 2.902 5.649 2.740 1.00 0.00 H new ATOM 0 HA ILE A 34 4.461 7.231 4.723 1.00 0.00 H new ATOM 0 HB ILE A 34 4.733 8.281 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.977 5.258 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.857 6.224 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.077 7.593 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.404 8.325 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.599 6.559 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.817 5.580 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.764 7.345 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.901 6.364 1.002 1.00 0.00 H new ATOM 484 N ASN A 35 1.824 8.068 2.987 1.00 0.00 N ATOM 485 CA ASN A 35 0.735 9.028 2.908 1.00 0.00 C ATOM 486 C ASN A 35 -0.563 8.358 3.362 1.00 0.00 C ATOM 487 O ASN A 35 -1.320 7.842 2.542 1.00 0.00 O ATOM 488 CB ASN A 35 0.537 9.519 1.472 1.00 0.00 C ATOM 489 CG ASN A 35 0.101 10.985 1.449 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.529 11.487 2.366 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.472 11.642 0.354 1.00 0.00 N ATOM 0 H ASN A 35 1.731 7.265 2.365 1.00 0.00 H new ATOM 0 HA ASN A 35 0.984 9.875 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.466 9.403 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.213 8.905 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.231 12.627 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.998 11.161 -0.376 1.00 0.00 H new ATOM 498 N PRO A 36 -0.787 8.390 4.703 1.00 0.00 N ATOM 499 CA PRO A 36 -1.981 7.793 5.277 1.00 0.00 C ATOM 500 C PRO A 36 -3.210 8.665 5.016 1.00 0.00 C ATOM 501 O PRO A 36 -4.150 8.672 5.809 1.00 0.00 O ATOM 502 CB PRO A 36 -1.669 7.631 6.756 1.00 0.00 C ATOM 503 CG PRO A 36 -0.503 8.564 7.039 1.00 0.00 C ATOM 504 CD PRO A 36 0.087 8.992 5.705 1.00 0.00 C ATOM 0 HA PRO A 36 -2.227 6.830 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.533 7.889 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.409 6.599 6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.839 9.433 7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.250 8.061 7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.108 10.078 5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.114 8.643 5.596 1.00 0.00 H new ATOM 512 N ASP A 37 -3.163 9.379 3.901 1.00 0.00 N ATOM 513 CA ASP A 37 -4.262 10.253 3.526 1.00 0.00 C ATOM 514 C ASP A 37 -3.953 10.903 2.176 1.00 0.00 C ATOM 515 O ASP A 37 -4.084 12.116 2.022 1.00 0.00 O ATOM 516 CB ASP A 37 -4.453 11.370 4.555 1.00 0.00 C ATOM 517 CG ASP A 37 -5.661 12.276 4.309 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.789 11.794 4.546 1.00 0.00 O ATOM 519 OD2 ASP A 37 -5.428 13.431 3.889 1.00 0.00 O ATOM 0 H ASP A 37 -2.382 9.370 3.245 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.169 9.651 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.550 10.920 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.554 11.986 4.572 1.00 0.00 H new ATOM 524 N SER A 38 -3.548 10.066 1.232 1.00 0.00 N ATOM 525 CA SER A 38 -3.219 10.543 -0.101 1.00 0.00 C ATOM 526 C SER A 38 -4.434 11.233 -0.725 1.00 0.00 C ATOM 527 O SER A 38 -5.367 11.613 -0.018 1.00 0.00 O ATOM 528 CB SER A 38 -2.743 9.396 -0.995 1.00 0.00 C ATOM 529 OG SER A 38 -1.550 9.728 -1.699 1.00 0.00 O ATOM 0 H SER A 38 -3.440 9.060 1.364 1.00 0.00 H new ATOM 0 HA SER A 38 -2.405 11.263 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.569 8.509 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.527 9.143 -1.709 1.00 0.00 H new ATOM 0 HG SER A 38 -1.599 10.657 -2.006 1.00 0.00 H new ATOM 535 N ASP A 39 -4.385 11.373 -2.041 1.00 0.00 N ATOM 536 CA ASP A 39 -5.470 12.010 -2.767 1.00 0.00 C ATOM 537 C ASP A 39 -5.241 11.839 -4.270 1.00 0.00 C ATOM 538 O ASP A 39 -5.615 12.703 -5.062 1.00 0.00 O ATOM 539 CB ASP A 39 -5.528 13.509 -2.466 1.00 0.00 C ATOM 540 CG ASP A 39 -6.805 13.979 -1.766 1.00 0.00 C ATOM 541 OD1 ASP A 39 -7.258 13.246 -0.860 1.00 0.00 O ATOM 542 OD2 ASP A 39 -7.300 15.060 -2.153 1.00 0.00 O ATOM 0 H ASP A 39 -3.610 11.056 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.404 11.543 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.673 13.773 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.422 14.057 -3.402 1.00 0.00 H new ATOM 547 N LEU A 40 -4.628 10.717 -4.618 1.00 0.00 N ATOM 548 CA LEU A 40 -4.346 10.421 -6.013 1.00 0.00 C ATOM 549 C LEU A 40 -5.285 9.313 -6.496 1.00 0.00 C ATOM 550 O LEU A 40 -6.241 8.962 -5.806 1.00 0.00 O ATOM 551 CB LEU A 40 -2.863 10.094 -6.202 1.00 0.00 C ATOM 552 CG LEU A 40 -2.113 9.637 -4.950 1.00 0.00 C ATOM 553 CD1 LEU A 40 -2.616 8.271 -4.477 1.00 0.00 C ATOM 554 CD2 LEU A 40 -0.600 9.642 -5.185 1.00 0.00 C ATOM 0 H LEU A 40 -4.319 10.002 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.539 11.296 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.777 9.314 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.364 10.978 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.317 10.349 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.066 7.970 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.679 8.336 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.462 7.534 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.090 9.313 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.357 8.966 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.275 10.651 -5.439 1.00 0.00 H new ATOM 566 N ASP A 41 -4.981 8.796 -7.676 1.00 0.00 N ATOM 567 CA ASP A 41 -5.786 7.735 -8.258 1.00 0.00 C ATOM 568 C ASP A 41 -4.944 6.463 -8.368 1.00 0.00 C ATOM 569 O ASP A 41 -5.309 5.533 -9.085 1.00 0.00 O ATOM 570 CB ASP A 41 -6.259 8.112 -9.664 1.00 0.00 C ATOM 571 CG ASP A 41 -7.455 7.310 -10.181 1.00 0.00 C ATOM 572 OD1 ASP A 41 -8.400 7.124 -9.385 1.00 0.00 O ATOM 573 OD2 ASP A 41 -7.396 6.900 -11.360 1.00 0.00 O ATOM 0 H ASP A 41 -4.188 9.092 -8.246 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.652 7.578 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.520 9.170 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.428 7.984 -10.357 1.00 0.00 H new ATOM 578 N CYS A 42 -3.832 6.463 -7.647 1.00 0.00 N ATOM 579 CA CYS A 42 -2.935 5.320 -7.655 1.00 0.00 C ATOM 580 C CYS A 42 -3.164 4.521 -6.369 1.00 0.00 C ATOM 581 O CYS A 42 -2.325 3.711 -5.980 1.00 0.00 O ATOM 582 CB CYS A 42 -1.474 5.748 -7.808 1.00 0.00 C ATOM 583 SG CYS A 42 -0.965 7.138 -6.732 1.00 0.00 S ATOM 0 H CYS A 42 -3.532 7.236 -7.054 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.152 4.690 -8.517 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.835 4.891 -7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.299 6.028 -8.847 1.00 0.00 H new ATOM 588 N VAL A 43 -4.305 4.779 -5.746 1.00 0.00 N ATOM 589 CA VAL A 43 -4.654 4.095 -4.513 1.00 0.00 C ATOM 590 C VAL A 43 -5.691 3.010 -4.813 1.00 0.00 C ATOM 591 O VAL A 43 -5.777 2.013 -4.097 1.00 0.00 O ATOM 592 CB VAL A 43 -5.133 5.107 -3.470 1.00 0.00 C ATOM 593 CG1 VAL A 43 -5.967 4.423 -2.384 1.00 0.00 C ATOM 594 CG2 VAL A 43 -3.954 5.865 -2.859 1.00 0.00 C ATOM 0 H VAL A 43 -4.999 5.452 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.779 3.601 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.771 5.832 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.295 5.165 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.838 3.950 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.363 3.666 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.323 6.578 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.279 5.159 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.419 6.400 -3.644 1.00 0.00 H new ATOM 604 N GLU A 44 -6.451 3.240 -5.873 1.00 0.00 N ATOM 605 CA GLU A 44 -7.477 2.294 -6.276 1.00 0.00 C ATOM 606 C GLU A 44 -6.877 1.207 -7.169 1.00 0.00 C ATOM 607 O GLU A 44 -7.423 0.109 -7.270 1.00 0.00 O ATOM 608 CB GLU A 44 -8.633 3.007 -6.984 1.00 0.00 C ATOM 609 CG GLU A 44 -9.720 3.412 -5.986 1.00 0.00 C ATOM 610 CD GLU A 44 -11.114 3.198 -6.577 1.00 0.00 C ATOM 611 OE1 GLU A 44 -11.258 2.229 -7.354 1.00 0.00 O ATOM 612 OE2 GLU A 44 -12.004 4.009 -6.241 1.00 0.00 O ATOM 0 H GLU A 44 -6.377 4.067 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.878 1.821 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.259 3.892 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.058 2.352 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.615 2.828 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.594 4.459 -5.711 1.00 0.00 H new ATOM 619 N GLU A 45 -5.760 1.549 -7.795 1.00 0.00 N ATOM 620 CA GLU A 45 -5.078 0.616 -8.676 1.00 0.00 C ATOM 621 C GLU A 45 -4.148 -0.292 -7.869 1.00 0.00 C ATOM 622 O GLU A 45 -3.712 -1.332 -8.360 1.00 0.00 O ATOM 623 CB GLU A 45 -4.308 1.358 -9.770 1.00 0.00 C ATOM 624 CG GLU A 45 -3.172 2.191 -9.172 1.00 0.00 C ATOM 625 CD GLU A 45 -2.605 3.167 -10.205 1.00 0.00 C ATOM 626 OE1 GLU A 45 -3.133 3.164 -11.338 1.00 0.00 O ATOM 627 OE2 GLU A 45 -1.656 3.893 -9.838 1.00 0.00 O ATOM 0 H GLU A 45 -5.310 2.460 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.827 -0.007 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.902 0.641 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.988 2.007 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.538 2.744 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.380 1.531 -8.817 1.00 0.00 H new ATOM 634 N ALA A 46 -3.872 0.135 -6.645 1.00 0.00 N ATOM 635 CA ALA A 46 -3.001 -0.627 -5.766 1.00 0.00 C ATOM 636 C ALA A 46 -3.828 -1.678 -5.022 1.00 0.00 C ATOM 637 O ALA A 46 -3.281 -2.648 -4.501 1.00 0.00 O ATOM 638 CB ALA A 46 -2.276 0.326 -4.814 1.00 0.00 C ATOM 0 H ALA A 46 -4.236 0.998 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.240 -1.154 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.623 -0.246 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.680 1.033 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.008 0.870 -4.217 1.00 0.00 H new ATOM 644 N ILE A 47 -5.133 -1.448 -4.996 1.00 0.00 N ATOM 645 CA ILE A 47 -6.039 -2.362 -4.324 1.00 0.00 C ATOM 646 C ILE A 47 -6.648 -3.319 -5.353 1.00 0.00 C ATOM 647 O ILE A 47 -6.721 -4.524 -5.118 1.00 0.00 O ATOM 648 CB ILE A 47 -7.081 -1.586 -3.516 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.420 -0.798 -2.383 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.180 -2.517 -3.000 1.00 0.00 C ATOM 651 CD1 ILE A 47 -7.297 0.377 -1.948 1.00 0.00 C ATOM 0 H ILE A 47 -5.583 -0.642 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.497 -2.972 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.556 -0.862 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.241 -1.457 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.448 -0.429 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.907 -1.940 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.678 -2.995 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.739 -3.280 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.804 0.920 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.454 1.047 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.259 0.003 -1.598 1.00 0.00 H new ATOM 663 N ASP A 48 -7.069 -2.745 -6.470 1.00 0.00 N ATOM 664 CA ASP A 48 -7.668 -3.530 -7.536 1.00 0.00 C ATOM 665 C ASP A 48 -6.664 -4.580 -8.015 1.00 0.00 C ATOM 666 O ASP A 48 -7.028 -5.732 -8.245 1.00 0.00 O ATOM 667 CB ASP A 48 -8.037 -2.648 -8.730 1.00 0.00 C ATOM 668 CG ASP A 48 -9.332 -3.038 -9.446 1.00 0.00 C ATOM 669 OD1 ASP A 48 -9.855 -4.126 -9.121 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.770 -2.239 -10.302 1.00 0.00 O ATOM 0 H ASP A 48 -7.007 -1.745 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.570 -3.999 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.125 -1.617 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.219 -2.676 -9.450 1.00 0.00 H new ATOM 675 N SER A 49 -5.421 -4.144 -8.153 1.00 0.00 N ATOM 676 CA SER A 49 -4.361 -5.032 -8.602 1.00 0.00 C ATOM 677 C SER A 49 -3.951 -5.972 -7.467 1.00 0.00 C ATOM 678 O SER A 49 -3.191 -6.915 -7.681 1.00 0.00 O ATOM 679 CB SER A 49 -3.151 -4.239 -9.098 1.00 0.00 C ATOM 680 OG SER A 49 -3.429 -3.544 -10.311 1.00 0.00 O ATOM 0 H SER A 49 -5.123 -3.187 -7.962 1.00 0.00 H new ATOM 0 HA SER A 49 -4.740 -5.623 -9.436 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.847 -3.525 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.312 -4.917 -9.253 1.00 0.00 H new ATOM 0 HG SER A 49 -3.617 -2.603 -10.113 1.00 0.00 H new ATOM 686 N CYS A 50 -4.474 -5.684 -6.285 1.00 0.00 N ATOM 687 CA CYS A 50 -4.171 -6.491 -5.115 1.00 0.00 C ATOM 688 C CYS A 50 -5.178 -7.641 -5.052 1.00 0.00 C ATOM 689 O CYS A 50 -6.368 -7.417 -4.835 1.00 0.00 O ATOM 690 CB CYS A 50 -4.177 -5.656 -3.833 1.00 0.00 C ATOM 691 SG CYS A 50 -3.936 -6.615 -2.291 1.00 0.00 S ATOM 0 H CYS A 50 -5.106 -4.903 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.163 -6.896 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.392 -4.903 -3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.125 -5.122 -3.768 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.159 -5.953 -1.485 1.00 0.00 H new ATOM 696 N PRO A 51 -4.652 -8.879 -5.251 1.00 0.00 N ATOM 697 CA PRO A 51 -5.491 -10.065 -5.219 1.00 0.00 C ATOM 698 C PRO A 51 -5.880 -10.423 -3.783 1.00 0.00 C ATOM 699 O PRO A 51 -6.969 -10.938 -3.541 1.00 0.00 O ATOM 700 CB PRO A 51 -4.670 -11.147 -5.900 1.00 0.00 C ATOM 701 CG PRO A 51 -3.231 -10.659 -5.872 1.00 0.00 C ATOM 702 CD PRO A 51 -3.247 -9.182 -5.511 1.00 0.00 C ATOM 0 HA PRO A 51 -6.441 -9.922 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.770 -12.099 -5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.008 -11.307 -6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.650 -11.224 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.758 -10.810 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.630 -8.982 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.854 -8.571 -6.324 1.00 0.00 H new ATOM 710 N ALA A 52 -4.965 -10.135 -2.867 1.00 0.00 N ATOM 711 CA ALA A 52 -5.198 -10.420 -1.462 1.00 0.00 C ATOM 712 C ALA A 52 -6.034 -9.294 -0.849 1.00 0.00 C ATOM 713 O ALA A 52 -6.460 -9.389 0.301 1.00 0.00 O ATOM 714 CB ALA A 52 -3.857 -10.606 -0.750 1.00 0.00 C ATOM 0 H ALA A 52 -4.062 -9.707 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.760 -11.347 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.032 -10.820 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.316 -11.436 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.266 -9.694 -0.842 1.00 0.00 H new ATOM 720 N GLU A 53 -6.241 -8.255 -1.644 1.00 0.00 N ATOM 721 CA GLU A 53 -7.017 -7.112 -1.194 1.00 0.00 C ATOM 722 C GLU A 53 -6.759 -6.846 0.291 1.00 0.00 C ATOM 723 O GLU A 53 -7.667 -6.455 1.023 1.00 0.00 O ATOM 724 CB GLU A 53 -8.509 -7.323 -1.462 1.00 0.00 C ATOM 725 CG GLU A 53 -8.990 -6.435 -2.611 1.00 0.00 C ATOM 726 CD GLU A 53 -10.412 -6.809 -3.035 1.00 0.00 C ATOM 727 OE1 GLU A 53 -11.349 -6.353 -2.345 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.529 -7.545 -4.039 1.00 0.00 O ATOM 0 H GLU A 53 -5.885 -8.181 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.700 -6.236 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.694 -8.369 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.079 -7.099 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.961 -5.390 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.315 -6.536 -3.461 1.00 0.00 H new ATOM 735 N ALA A 54 -5.516 -7.070 0.691 1.00 0.00 N ATOM 736 CA ALA A 54 -5.127 -6.860 2.075 1.00 0.00 C ATOM 737 C ALA A 54 -4.934 -5.363 2.324 1.00 0.00 C ATOM 738 O ALA A 54 -4.856 -4.925 3.472 1.00 0.00 O ATOM 739 CB ALA A 54 -3.864 -7.669 2.380 1.00 0.00 C ATOM 0 H ALA A 54 -4.766 -7.395 0.081 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.908 -7.209 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.573 -7.511 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.062 -8.728 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.057 -7.345 1.723 1.00 0.00 H new ATOM 745 N ILE A 55 -4.862 -4.618 1.231 1.00 0.00 N ATOM 746 CA ILE A 55 -4.680 -3.178 1.317 1.00 0.00 C ATOM 747 C ILE A 55 -6.046 -2.504 1.461 1.00 0.00 C ATOM 748 O ILE A 55 -6.849 -2.517 0.531 1.00 0.00 O ATOM 749 CB ILE A 55 -3.865 -2.670 0.126 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.744 -1.144 0.155 1.00 0.00 C ATOM 751 CG2 ILE A 55 -4.451 -3.174 -1.194 1.00 0.00 C ATOM 752 CD1 ILE A 55 -2.318 -0.701 -0.176 1.00 0.00 C ATOM 0 H ILE A 55 -4.926 -4.984 0.281 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.101 -2.918 2.203 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.856 -3.074 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.440 -0.707 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.025 -0.772 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.853 -2.799 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.442 -4.264 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.477 -2.819 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.259 0.387 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.628 -1.120 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.049 -1.054 -1.172 1.00 0.00 H new ATOM 764 N VAL A 56 -6.264 -1.929 2.635 1.00 0.00 N ATOM 765 CA VAL A 56 -7.519 -1.250 2.913 1.00 0.00 C ATOM 766 C VAL A 56 -7.266 0.255 3.021 1.00 0.00 C ATOM 767 O VAL A 56 -6.141 0.682 3.278 1.00 0.00 O ATOM 768 CB VAL A 56 -8.166 -1.839 4.168 1.00 0.00 C ATOM 769 CG1 VAL A 56 -8.884 -3.152 3.849 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.131 -2.035 5.277 1.00 0.00 C ATOM 0 H VAL A 56 -5.594 -1.919 3.404 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.225 -1.403 2.097 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.911 -1.129 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.335 -3.550 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.662 -2.971 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.167 -3.872 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.617 -2.455 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.353 -2.716 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.685 -1.074 5.532 1.00 0.00 H new ATOM 780 N ARG A 57 -8.330 1.018 2.818 1.00 0.00 N ATOM 781 CA ARG A 57 -8.237 2.465 2.890 1.00 0.00 C ATOM 782 C ARG A 57 -9.184 3.006 3.964 1.00 0.00 C ATOM 783 O ARG A 57 -9.936 3.947 3.718 1.00 0.00 O ATOM 784 CB ARG A 57 -8.585 3.107 1.545 1.00 0.00 C ATOM 785 CG ARG A 57 -9.999 2.724 1.104 1.00 0.00 C ATOM 786 CD ARG A 57 -10.465 3.596 -0.063 1.00 0.00 C ATOM 787 NE ARG A 57 -11.163 2.766 -1.070 1.00 0.00 N ATOM 788 CZ ARG A 57 -12.400 2.252 -0.901 1.00 0.00 C ATOM 789 NH1 ARG A 57 -13.087 2.479 0.239 1.00 0.00 N ATOM 790 NH2 ARG A 57 -12.927 1.523 -1.867 1.00 0.00 N ATOM 0 H ARG A 57 -9.261 0.661 2.604 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.208 2.718 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.506 4.191 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.866 2.790 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.020 1.675 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.687 2.834 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.132 4.378 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.609 4.093 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.679 2.570 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.672 3.043 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.021 2.087 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.401 1.356 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.860 1.127 -1.756 1.00 0.00 H new ATOM 804 N SER A 58 -9.116 2.386 5.134 1.00 0.00 N ATOM 805 CA SER A 58 -9.957 2.792 6.247 1.00 0.00 C ATOM 806 C SER A 58 -10.008 4.320 6.334 1.00 0.00 C ATOM 807 O SER A 58 -10.794 4.875 7.100 1.00 0.00 O ATOM 808 CB SER A 58 -9.451 2.202 7.564 1.00 0.00 C ATOM 809 OG SER A 58 -10.369 2.417 8.633 1.00 0.00 O ATOM 810 OXT SER A 58 -9.266 4.996 5.641 1.00 1.00 O ATOM 0 H SER A 58 -8.491 1.605 5.335 1.00 0.00 H new ATOM 0 HA SER A 58 -10.963 2.410 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.282 1.132 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.490 2.650 7.816 1.00 0.00 H new ATOM 0 HG SER A 58 -10.819 3.279 8.509 1.00 0.00 H new