USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.109 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.26 K(o=-2.3,f=-6.1!) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0487) USER MOD Single : A 36 GLN : amide:sc= -0.977 K(o=-0.98,f=-5.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -97:sc= 0.0291 USER MOD Single : A 42 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.2) USER MOD Single : A 47 GLN : amide:sc= -3.34 K(o=-3.3,f=-11!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.9! C(o=-3.9!,f=-3.1!) USER MOD Single : A 69 TYR OH : rot -15:sc= 0.321 USER MOD Single : A 72 CYS SG : rot 29:sc= -2.01! USER MOD Single : A 76 GLN : amide:sc= -3.77 K(o=-3.8,f=-5.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 112:sc= 0.292 USER MOD Single : A 88 GLN : amide:sc= -0.927 K(o=-0.93,f=-2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.893 -22.093 -12.157 1.00 0.00 N ATOM 2 CA GLY A 1 -8.016 -20.974 -12.604 1.00 0.00 C ATOM 3 C GLY A 1 -6.683 -20.959 -11.882 1.00 0.00 C ATOM 4 O GLY A 1 -6.219 -19.907 -11.444 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.792 -22.060 -12.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.419 -23.000 -12.341 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.081 -22.001 -11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.844 -21.058 -13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.527 -20.026 -12.436 1.00 0.00 H new ATOM 10 N SER A 2 -6.066 -22.130 -11.760 1.00 0.00 N ATOM 11 CA SER A 2 -4.777 -22.248 -11.087 1.00 0.00 C ATOM 12 C SER A 2 -3.634 -22.240 -12.096 1.00 0.00 C ATOM 13 O SER A 2 -3.854 -22.090 -13.298 1.00 0.00 O ATOM 14 CB SER A 2 -4.729 -23.530 -10.255 1.00 0.00 C ATOM 15 OG SER A 2 -3.647 -23.504 -9.339 1.00 0.00 O ATOM 0 H SER A 2 -6.437 -23.010 -12.118 1.00 0.00 H new ATOM 0 HA SER A 2 -4.660 -21.389 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.666 -23.650 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.630 -24.392 -10.915 1.00 0.00 H new ATOM 0 HG SER A 2 -3.639 -24.334 -8.818 1.00 0.00 H new ATOM 21 N SER A 3 -2.412 -22.404 -11.599 1.00 0.00 N ATOM 22 CA SER A 3 -1.233 -22.416 -12.457 1.00 0.00 C ATOM 23 C SER A 3 -1.090 -21.093 -13.204 1.00 0.00 C ATOM 24 O SER A 3 -1.645 -20.919 -14.289 1.00 0.00 O ATOM 25 CB SER A 3 -1.315 -23.571 -13.455 1.00 0.00 C ATOM 26 OG SER A 3 -0.033 -23.900 -13.962 1.00 0.00 O ATOM 0 H SER A 3 -2.213 -22.530 -10.607 1.00 0.00 H new ATOM 0 HA SER A 3 -0.356 -22.553 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.753 -24.444 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.976 -23.298 -14.278 1.00 0.00 H new ATOM 0 HG SER A 3 -0.113 -24.643 -14.597 1.00 0.00 H new ATOM 32 N GLY A 4 -0.342 -20.165 -12.617 1.00 0.00 N ATOM 33 CA GLY A 4 -0.140 -18.871 -13.241 1.00 0.00 C ATOM 34 C GLY A 4 -0.374 -17.720 -12.282 1.00 0.00 C ATOM 35 O GLY A 4 0.223 -17.668 -11.207 1.00 0.00 O ATOM 0 H GLY A 4 0.128 -20.286 -11.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.876 -18.814 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.814 -18.773 -14.092 1.00 0.00 H new ATOM 39 N SER A 5 -1.247 -16.796 -12.672 1.00 0.00 N ATOM 40 CA SER A 5 -1.559 -15.640 -11.840 1.00 0.00 C ATOM 41 C SER A 5 -2.928 -15.795 -11.185 1.00 0.00 C ATOM 42 O SER A 5 -3.947 -15.408 -11.756 1.00 0.00 O ATOM 43 CB SER A 5 -1.522 -14.359 -12.674 1.00 0.00 C ATOM 44 OG SER A 5 -0.202 -14.066 -13.100 1.00 0.00 O ATOM 0 H SER A 5 -1.750 -16.826 -13.559 1.00 0.00 H new ATOM 0 HA SER A 5 -0.805 -15.575 -11.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.172 -14.468 -13.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.911 -13.527 -12.087 1.00 0.00 H new ATOM 0 HG SER A 5 -0.205 -13.243 -13.633 1.00 0.00 H new ATOM 50 N SER A 6 -2.943 -16.364 -9.983 1.00 0.00 N ATOM 51 CA SER A 6 -4.188 -16.569 -9.251 1.00 0.00 C ATOM 52 C SER A 6 -4.654 -15.273 -8.597 1.00 0.00 C ATOM 53 O SER A 6 -3.841 -14.454 -8.171 1.00 0.00 O ATOM 54 CB SER A 6 -4.005 -17.654 -8.188 1.00 0.00 C ATOM 55 OG SER A 6 -5.247 -18.237 -7.835 1.00 0.00 O ATOM 0 H SER A 6 -2.108 -16.691 -9.496 1.00 0.00 H new ATOM 0 HA SER A 6 -4.950 -16.890 -9.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.331 -18.425 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.537 -17.225 -7.302 1.00 0.00 H new ATOM 0 HG SER A 6 -5.103 -18.928 -7.156 1.00 0.00 H new ATOM 61 N GLY A 7 -5.968 -15.094 -8.521 1.00 0.00 N ATOM 62 CA GLY A 7 -6.521 -13.896 -7.917 1.00 0.00 C ATOM 63 C GLY A 7 -7.429 -13.134 -8.864 1.00 0.00 C ATOM 64 O GLY A 7 -7.810 -13.647 -9.915 1.00 0.00 O ATOM 0 H GLY A 7 -6.661 -15.758 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.081 -14.169 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.707 -13.245 -7.597 1.00 0.00 H new ATOM 68 N ALA A 8 -7.773 -11.906 -8.491 1.00 0.00 N ATOM 69 CA ALA A 8 -8.642 -11.073 -9.314 1.00 0.00 C ATOM 70 C ALA A 8 -7.831 -10.269 -10.325 1.00 0.00 C ATOM 71 O ALA A 8 -8.104 -10.310 -11.525 1.00 0.00 O ATOM 72 CB ALA A 8 -9.466 -10.143 -8.436 1.00 0.00 C ATOM 0 H ALA A 8 -7.463 -11.466 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.318 -11.727 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.110 -9.527 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.079 -10.734 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.800 -9.501 -7.860 1.00 0.00 H new ATOM 78 N ALA A 9 -6.834 -9.541 -9.834 1.00 0.00 N ATOM 79 CA ALA A 9 -5.985 -8.729 -10.696 1.00 0.00 C ATOM 80 C ALA A 9 -4.736 -8.262 -9.955 1.00 0.00 C ATOM 81 O ALA A 9 -3.629 -8.315 -10.489 1.00 0.00 O ATOM 82 CB ALA A 9 -6.764 -7.535 -11.229 1.00 0.00 C ATOM 0 H ALA A 9 -6.594 -9.497 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.666 -9.346 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.118 -6.937 -11.872 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.621 -7.887 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.111 -6.925 -10.395 1.00 0.00 H new ATOM 88 N GLU A 10 -4.923 -7.805 -8.720 1.00 0.00 N ATOM 89 CA GLU A 10 -3.811 -7.329 -7.906 1.00 0.00 C ATOM 90 C GLU A 10 -3.145 -8.485 -7.167 1.00 0.00 C ATOM 91 O GLU A 10 -3.777 -9.503 -6.885 1.00 0.00 O ATOM 92 CB GLU A 10 -4.298 -6.281 -6.903 1.00 0.00 C ATOM 93 CG GLU A 10 -4.377 -4.878 -7.481 1.00 0.00 C ATOM 94 CD GLU A 10 -5.744 -4.560 -8.054 1.00 0.00 C ATOM 95 OE1 GLU A 10 -6.753 -4.994 -7.459 1.00 0.00 O ATOM 96 OE2 GLU A 10 -5.806 -3.877 -9.098 1.00 0.00 O ATOM 0 H GLU A 10 -5.833 -7.755 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.076 -6.873 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.283 -6.570 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.628 -6.274 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.136 -4.154 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.625 -4.768 -8.262 1.00 0.00 H new ATOM 103 N VAL A 11 -1.863 -8.322 -6.856 1.00 0.00 N ATOM 104 CA VAL A 11 -1.111 -9.351 -6.150 1.00 0.00 C ATOM 105 C VAL A 11 -0.150 -8.735 -5.139 1.00 0.00 C ATOM 106 O VAL A 11 0.595 -7.809 -5.459 1.00 0.00 O ATOM 107 CB VAL A 11 -0.311 -10.233 -7.127 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.237 -11.183 -7.871 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.475 -9.370 -8.103 1.00 0.00 C ATOM 0 H VAL A 11 -1.324 -7.486 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.840 -9.969 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 11 0.397 -10.830 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.653 -11.798 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.751 -11.825 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.971 -10.608 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.034 -10.010 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.213 -8.746 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.168 -8.735 -7.551 1.00 0.00 H new ATOM 119 N GLY A 12 -0.174 -9.254 -3.916 1.00 0.00 N ATOM 120 CA GLY A 12 0.698 -8.742 -2.875 1.00 0.00 C ATOM 121 C GLY A 12 1.981 -9.541 -2.750 1.00 0.00 C ATOM 122 O GLY A 12 2.011 -10.733 -3.055 1.00 0.00 O ATOM 0 H GLY A 12 -0.782 -10.020 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.941 -7.701 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.169 -8.757 -1.922 1.00 0.00 H new ATOM 126 N ASP A 13 3.044 -8.882 -2.301 1.00 0.00 N ATOM 127 CA ASP A 13 4.337 -9.536 -2.136 1.00 0.00 C ATOM 128 C ASP A 13 4.540 -9.981 -0.691 1.00 0.00 C ATOM 129 O ASP A 13 3.803 -9.571 0.205 1.00 0.00 O ATOM 130 CB ASP A 13 5.467 -8.595 -2.556 1.00 0.00 C ATOM 131 CG ASP A 13 6.757 -9.336 -2.851 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.780 -10.126 -3.817 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.744 -9.124 -2.116 1.00 0.00 O ATOM 0 H ASP A 13 3.035 -7.895 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 13 4.354 -10.419 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.161 -8.037 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.643 -7.866 -1.764 1.00 0.00 H new ATOM 138 N ASP A 14 5.547 -10.822 -0.473 1.00 0.00 N ATOM 139 CA ASP A 14 5.846 -11.324 0.863 1.00 0.00 C ATOM 140 C ASP A 14 6.978 -10.524 1.503 1.00 0.00 C ATOM 141 O ASP A 14 7.797 -11.072 2.241 1.00 0.00 O ATOM 142 CB ASP A 14 6.223 -12.806 0.801 1.00 0.00 C ATOM 143 CG ASP A 14 5.582 -13.611 1.914 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.340 -13.739 1.915 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.323 -14.115 2.785 1.00 0.00 O ATOM 0 H ASP A 14 6.168 -11.169 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 14 4.952 -11.210 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.919 -13.216 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.307 -12.906 0.862 1.00 0.00 H new ATOM 150 N PHE A 15 7.016 -9.227 1.217 1.00 0.00 N ATOM 151 CA PHE A 15 8.046 -8.353 1.766 1.00 0.00 C ATOM 152 C PHE A 15 7.587 -7.731 3.081 1.00 0.00 C ATOM 153 O PHE A 15 8.069 -8.095 4.153 1.00 0.00 O ATOM 154 CB PHE A 15 8.402 -7.254 0.762 1.00 0.00 C ATOM 155 CG PHE A 15 9.472 -6.318 1.248 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.812 -6.641 1.105 1.00 0.00 C ATOM 157 CD2 PHE A 15 9.137 -5.116 1.850 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.797 -5.782 1.551 1.00 0.00 C ATOM 159 CE2 PHE A 15 10.119 -4.252 2.298 1.00 0.00 C ATOM 160 CZ PHE A 15 11.451 -4.586 2.149 1.00 0.00 C ATOM 0 H PHE A 15 6.345 -8.758 0.608 1.00 0.00 H new ATOM 0 HA PHE A 15 8.933 -8.956 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.731 -7.717 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.505 -6.679 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.089 -7.575 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.097 -4.851 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.838 -6.045 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.845 -3.317 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.220 -3.914 2.499 1.00 0.00 H new ATOM 170 N LEU A 16 6.651 -6.790 2.991 1.00 0.00 N ATOM 171 CA LEU A 16 6.127 -6.117 4.175 1.00 0.00 C ATOM 172 C LEU A 16 7.247 -5.441 4.960 1.00 0.00 C ATOM 173 O LEU A 16 7.942 -6.083 5.747 1.00 0.00 O ATOM 174 CB LEU A 16 5.387 -7.117 5.068 1.00 0.00 C ATOM 175 CG LEU A 16 3.971 -6.703 5.469 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.318 -7.783 6.316 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.996 -5.378 6.218 1.00 0.00 C ATOM 0 H LEU A 16 6.240 -6.477 2.111 1.00 0.00 H new ATOM 0 HA LEU A 16 5.428 -5.348 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.336 -8.075 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.973 -7.275 5.973 1.00 0.00 H new ATOM 0 HG LEU A 16 3.380 -6.575 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.311 -7.470 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.267 -8.711 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.908 -7.944 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.980 -5.098 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.603 -5.480 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.423 -4.606 5.578 1.00 0.00 H new ATOM 189 N GLY A 17 7.415 -4.141 4.740 1.00 0.00 N ATOM 190 CA GLY A 17 8.451 -3.399 5.435 1.00 0.00 C ATOM 191 C GLY A 17 8.092 -3.114 6.879 1.00 0.00 C ATOM 192 O GLY A 17 7.192 -3.740 7.438 1.00 0.00 O ATOM 0 H GLY A 17 6.853 -3.588 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.383 -3.963 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.629 -2.457 4.916 1.00 0.00 H new ATOM 196 N ASP A 18 8.798 -2.166 7.486 1.00 0.00 N ATOM 197 CA ASP A 18 8.549 -1.797 8.874 1.00 0.00 C ATOM 198 C ASP A 18 7.702 -0.532 8.959 1.00 0.00 C ATOM 199 O ASP A 18 7.890 0.293 9.853 1.00 0.00 O ATOM 200 CB ASP A 18 9.873 -1.589 9.614 1.00 0.00 C ATOM 201 CG ASP A 18 9.749 -1.840 11.104 1.00 0.00 C ATOM 202 OD1 ASP A 18 8.919 -1.168 11.752 1.00 0.00 O ATOM 203 OD2 ASP A 18 10.481 -2.710 11.623 1.00 0.00 O ATOM 0 H ASP A 18 9.548 -1.639 7.038 1.00 0.00 H new ATOM 0 HA ASP A 18 8.000 -2.612 9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.627 -2.257 9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.223 -0.570 9.448 1.00 0.00 H new ATOM 208 N PHE A 19 6.769 -0.387 8.024 1.00 0.00 N ATOM 209 CA PHE A 19 5.892 0.777 7.992 1.00 0.00 C ATOM 210 C PHE A 19 4.864 0.714 9.118 1.00 0.00 C ATOM 211 O PHE A 19 4.312 -0.346 9.409 1.00 0.00 O ATOM 212 CB PHE A 19 5.181 0.870 6.641 1.00 0.00 C ATOM 213 CG PHE A 19 6.112 0.778 5.466 1.00 0.00 C ATOM 214 CD1 PHE A 19 6.751 1.908 4.980 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.348 -0.439 4.847 1.00 0.00 C ATOM 216 CE1 PHE A 19 7.608 1.825 3.900 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.204 -0.528 3.766 1.00 0.00 C ATOM 218 CZ PHE A 19 7.834 0.606 3.291 1.00 0.00 C ATOM 0 H PHE A 19 6.601 -1.062 7.278 1.00 0.00 H new ATOM 0 HA PHE A 19 6.505 1.667 8.133 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.442 0.071 6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.637 1.813 6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.577 2.864 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.857 -1.328 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.101 2.713 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.380 -1.483 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.502 0.540 2.445 1.00 0.00 H new ATOM 228 N VAL A 20 4.613 1.859 9.746 1.00 0.00 N ATOM 229 CA VAL A 20 3.651 1.934 10.839 1.00 0.00 C ATOM 230 C VAL A 20 2.434 2.764 10.444 1.00 0.00 C ATOM 231 O VAL A 20 2.394 3.347 9.361 1.00 0.00 O ATOM 232 CB VAL A 20 4.284 2.544 12.103 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.233 1.552 12.758 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.005 3.841 11.768 1.00 0.00 C ATOM 0 H VAL A 20 5.062 2.746 9.517 1.00 0.00 H new ATOM 0 HA VAL A 20 3.337 0.913 11.055 1.00 0.00 H new ATOM 0 HB VAL A 20 3.487 2.771 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.670 2.001 13.650 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.684 0.653 13.037 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.026 1.290 12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.446 4.257 12.674 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.792 3.642 11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.295 4.554 11.349 1.00 0.00 H new ATOM 244 N VAL A 21 1.445 2.812 11.329 1.00 0.00 N ATOM 245 CA VAL A 21 0.227 3.571 11.073 1.00 0.00 C ATOM 246 C VAL A 21 0.365 5.011 11.554 1.00 0.00 C ATOM 247 O VAL A 21 0.559 5.262 12.743 1.00 0.00 O ATOM 248 CB VAL A 21 -0.992 2.927 11.760 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.277 3.612 11.320 1.00 0.00 C ATOM 250 CG2 VAL A 21 -1.045 1.436 11.464 1.00 0.00 C ATOM 0 H VAL A 21 1.463 2.334 12.230 1.00 0.00 H new ATOM 0 HA VAL A 21 0.072 3.564 9.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.890 3.057 12.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.127 3.143 11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.237 4.668 11.589 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.389 3.516 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.913 0.998 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.123 1.281 10.388 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.138 0.959 11.834 1.00 0.00 H new ATOM 260 N GLY A 22 0.263 5.953 10.623 1.00 0.00 N ATOM 261 CA GLY A 22 0.378 7.358 10.971 1.00 0.00 C ATOM 262 C GLY A 22 1.494 8.053 10.217 1.00 0.00 C ATOM 263 O GLY A 22 1.407 9.246 9.929 1.00 0.00 O ATOM 0 H GLY A 22 0.103 5.769 9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.566 7.860 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.555 7.450 12.043 1.00 0.00 H new ATOM 267 N GLU A 23 2.544 7.304 9.897 1.00 0.00 N ATOM 268 CA GLU A 23 3.683 7.857 9.171 1.00 0.00 C ATOM 269 C GLU A 23 3.309 8.165 7.725 1.00 0.00 C ATOM 270 O GLU A 23 2.190 7.890 7.290 1.00 0.00 O ATOM 271 CB GLU A 23 4.860 6.881 9.208 1.00 0.00 C ATOM 272 CG GLU A 23 4.583 5.565 8.499 1.00 0.00 C ATOM 273 CD GLU A 23 5.847 4.771 8.229 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.576 4.469 9.198 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.106 4.451 7.050 1.00 0.00 O ATOM 0 H GLU A 23 2.631 6.314 10.128 1.00 0.00 H new ATOM 0 HA GLU A 23 3.975 8.787 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.728 7.355 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.119 6.677 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.904 4.965 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.075 5.765 7.555 1.00 0.00 H new ATOM 282 N ARG A 24 4.252 8.738 6.985 1.00 0.00 N ATOM 283 CA ARG A 24 4.022 9.084 5.587 1.00 0.00 C ATOM 284 C ARG A 24 4.979 8.323 4.674 1.00 0.00 C ATOM 285 O ARG A 24 6.195 8.366 4.860 1.00 0.00 O ATOM 286 CB ARG A 24 4.186 10.592 5.380 1.00 0.00 C ATOM 287 CG ARG A 24 3.030 11.232 4.630 1.00 0.00 C ATOM 288 CD ARG A 24 1.991 11.796 5.586 1.00 0.00 C ATOM 289 NE ARG A 24 2.434 13.045 6.201 1.00 0.00 N ATOM 290 CZ ARG A 24 1.906 13.553 7.313 1.00 0.00 C ATOM 291 NH1 ARG A 24 0.917 12.921 7.934 1.00 0.00 N ATOM 292 NH2 ARG A 24 2.369 14.694 7.805 1.00 0.00 N ATOM 0 H ARG A 24 5.183 8.973 7.330 1.00 0.00 H new ATOM 0 HA ARG A 24 3.002 8.799 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.289 11.075 6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.110 10.777 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.407 12.029 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.564 10.493 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.059 11.968 5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.779 11.063 6.365 1.00 0.00 H new ATOM 0 HE ARG A 24 3.193 13.558 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.559 12.043 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.516 13.314 8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.129 15.182 7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.965 15.083 8.657 1.00 0.00 H new ATOM 306 N VAL A 25 4.422 7.628 3.688 1.00 0.00 N ATOM 307 CA VAL A 25 5.225 6.857 2.747 1.00 0.00 C ATOM 308 C VAL A 25 4.898 7.234 1.306 1.00 0.00 C ATOM 309 O VAL A 25 3.733 7.411 0.950 1.00 0.00 O ATOM 310 CB VAL A 25 5.010 5.344 2.931 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.504 4.895 4.298 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.543 4.986 2.743 1.00 0.00 C ATOM 0 H VAL A 25 3.417 7.583 3.520 1.00 0.00 H new ATOM 0 HA VAL A 25 6.268 7.095 2.954 1.00 0.00 H new ATOM 0 HB VAL A 25 5.589 4.819 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.343 3.823 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.568 5.114 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.955 5.426 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.410 3.912 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.941 5.520 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.225 5.268 1.739 1.00 0.00 H new ATOM 322 N TRP A 26 5.933 7.355 0.482 1.00 0.00 N ATOM 323 CA TRP A 26 5.755 7.711 -0.922 1.00 0.00 C ATOM 324 C TRP A 26 5.405 6.482 -1.755 1.00 0.00 C ATOM 325 O TRP A 26 6.200 5.548 -1.864 1.00 0.00 O ATOM 326 CB TRP A 26 7.023 8.368 -1.468 1.00 0.00 C ATOM 327 CG TRP A 26 7.058 9.852 -1.267 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.074 10.811 -2.239 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.083 10.548 -0.015 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.107 12.060 -1.668 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.114 11.925 -0.304 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.083 10.140 1.322 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.143 12.895 0.695 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.112 11.103 2.311 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.140 12.467 1.994 1.00 0.00 C ATOM 0 H TRP A 26 6.904 7.212 0.761 1.00 0.00 H new ATOM 0 HA TRP A 26 4.930 8.420 -0.989 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.892 7.923 -0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.106 8.151 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.062 10.616 -3.301 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.124 12.944 -2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.061 9.091 1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.167 13.947 0.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.113 10.799 3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.160 13.195 2.791 1.00 0.00 H new ATOM 346 N VAL A 27 4.213 6.491 -2.342 1.00 0.00 N ATOM 347 CA VAL A 27 3.760 5.377 -3.166 1.00 0.00 C ATOM 348 C VAL A 27 4.510 5.336 -4.493 1.00 0.00 C ATOM 349 O VAL A 27 4.357 6.224 -5.332 1.00 0.00 O ATOM 350 CB VAL A 27 2.248 5.464 -3.447 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.758 4.200 -4.135 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.478 5.712 -2.158 1.00 0.00 C ATOM 0 H VAL A 27 3.544 7.257 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 27 3.966 4.465 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 27 2.070 6.305 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.688 4.281 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.286 4.072 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.949 3.339 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.412 5.770 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.661 4.894 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.809 6.650 -1.711 1.00 0.00 H new ATOM 362 N ASN A 28 5.320 4.299 -4.677 1.00 0.00 N ATOM 363 CA ASN A 28 6.095 4.142 -5.902 1.00 0.00 C ATOM 364 C ASN A 28 7.041 5.322 -6.106 1.00 0.00 C ATOM 365 O ASN A 28 7.375 5.673 -7.237 1.00 0.00 O ATOM 366 CB ASN A 28 5.161 4.009 -7.106 1.00 0.00 C ATOM 367 CG ASN A 28 4.411 2.691 -7.113 1.00 0.00 C ATOM 368 OD1 ASN A 28 5.005 1.626 -7.274 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.095 2.758 -6.940 1.00 0.00 N ATOM 0 H ASN A 28 5.457 3.555 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 28 6.692 3.235 -5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.445 4.831 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.741 4.099 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.537 1.904 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.643 3.663 -6.810 1.00 0.00 H new ATOM 376 N GLY A 29 7.469 5.929 -5.004 1.00 0.00 N ATOM 377 CA GLY A 29 8.372 7.062 -5.084 1.00 0.00 C ATOM 378 C GLY A 29 7.808 8.198 -5.915 1.00 0.00 C ATOM 379 O GLY A 29 8.488 8.733 -6.791 1.00 0.00 O ATOM 0 H GLY A 29 7.207 5.656 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.586 7.424 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.319 6.737 -5.514 1.00 0.00 H new ATOM 383 N VAL A 30 6.561 8.568 -5.641 1.00 0.00 N ATOM 384 CA VAL A 30 5.906 9.648 -6.370 1.00 0.00 C ATOM 385 C VAL A 30 5.250 10.638 -5.414 1.00 0.00 C ATOM 386 O VAL A 30 5.671 11.791 -5.313 1.00 0.00 O ATOM 387 CB VAL A 30 4.840 9.104 -7.339 1.00 0.00 C ATOM 388 CG1 VAL A 30 4.309 10.218 -8.230 1.00 0.00 C ATOM 389 CG2 VAL A 30 5.409 7.968 -8.176 1.00 0.00 C ATOM 0 H VAL A 30 5.984 8.136 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 30 6.680 10.159 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 30 4.009 8.712 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.557 9.814 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.860 10.996 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.129 10.643 -8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.641 7.596 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.259 8.332 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.735 7.161 -7.520 1.00 0.00 H new ATOM 399 N LYS A 31 4.217 10.181 -4.713 1.00 0.00 N ATOM 400 CA LYS A 31 3.503 11.027 -3.764 1.00 0.00 C ATOM 401 C LYS A 31 3.404 10.348 -2.399 1.00 0.00 C ATOM 402 O LYS A 31 3.277 9.127 -2.313 1.00 0.00 O ATOM 403 CB LYS A 31 2.103 11.352 -4.292 1.00 0.00 C ATOM 404 CG LYS A 31 1.963 12.772 -4.812 1.00 0.00 C ATOM 405 CD LYS A 31 0.850 12.882 -5.843 1.00 0.00 C ATOM 406 CE LYS A 31 -0.008 14.115 -5.609 1.00 0.00 C ATOM 407 NZ LYS A 31 0.789 15.370 -5.688 1.00 0.00 N ATOM 0 H LYS A 31 3.856 9.230 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 31 4.062 11.955 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.855 10.655 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.377 11.193 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.758 13.446 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.905 13.092 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.282 12.923 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.225 11.990 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.808 14.146 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.482 14.047 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.153 16.190 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.470 15.399 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.302 15.399 -6.592 1.00 0.00 H new ATOM 421 N PRO A 32 3.459 11.134 -1.309 1.00 0.00 N ATOM 422 CA PRO A 32 3.374 10.600 0.053 1.00 0.00 C ATOM 423 C PRO A 32 1.958 10.168 0.417 1.00 0.00 C ATOM 424 O PRO A 32 0.986 10.615 -0.191 1.00 0.00 O ATOM 425 CB PRO A 32 3.814 11.779 0.920 1.00 0.00 C ATOM 426 CG PRO A 32 3.443 12.985 0.128 1.00 0.00 C ATOM 427 CD PRO A 32 3.609 12.603 -1.319 1.00 0.00 C ATOM 0 HA PRO A 32 3.985 9.707 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.311 11.770 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.886 11.748 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.416 13.287 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.082 13.830 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.857 13.079 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.583 12.904 -1.704 1.00 0.00 H new ATOM 435 N GLY A 33 1.848 9.294 1.414 1.00 0.00 N ATOM 436 CA GLY A 33 0.546 8.818 1.841 1.00 0.00 C ATOM 437 C GLY A 33 0.545 8.342 3.281 1.00 0.00 C ATOM 438 O GLY A 33 1.492 7.696 3.728 1.00 0.00 O ATOM 0 H GLY A 33 2.637 8.908 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.185 9.618 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.230 8.001 1.192 1.00 0.00 H new ATOM 442 N VAL A 34 -0.522 8.663 4.006 1.00 0.00 N ATOM 443 CA VAL A 34 -0.642 8.266 5.404 1.00 0.00 C ATOM 444 C VAL A 34 -1.047 6.800 5.524 1.00 0.00 C ATOM 445 O VAL A 34 -2.164 6.423 5.169 1.00 0.00 O ATOM 446 CB VAL A 34 -1.675 9.133 6.149 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.663 8.821 7.637 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.408 10.613 5.905 1.00 0.00 C ATOM 0 H VAL A 34 -1.315 9.196 3.649 1.00 0.00 H new ATOM 0 HA VAL A 34 0.338 8.411 5.859 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.666 8.897 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.399 9.444 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.909 7.770 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.673 9.025 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.148 11.209 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.410 10.867 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.475 10.824 4.838 1.00 0.00 H new ATOM 458 N VAL A 35 -0.132 5.977 6.024 1.00 0.00 N ATOM 459 CA VAL A 35 -0.394 4.554 6.190 1.00 0.00 C ATOM 460 C VAL A 35 -1.477 4.312 7.235 1.00 0.00 C ATOM 461 O VAL A 35 -1.387 4.801 8.362 1.00 0.00 O ATOM 462 CB VAL A 35 0.879 3.791 6.604 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.637 2.291 6.576 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.044 4.169 5.701 1.00 0.00 C ATOM 0 H VAL A 35 0.798 6.272 6.321 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.734 4.182 5.223 1.00 0.00 H new ATOM 0 HB VAL A 35 1.134 4.073 7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.548 1.770 6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.166 2.039 7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.356 1.987 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.935 3.621 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.801 3.918 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.232 5.240 5.779 1.00 0.00 H new ATOM 474 N GLN A 36 -2.502 3.557 6.855 1.00 0.00 N ATOM 475 CA GLN A 36 -3.604 3.250 7.759 1.00 0.00 C ATOM 476 C GLN A 36 -3.613 1.768 8.124 1.00 0.00 C ATOM 477 O GLN A 36 -3.531 1.407 9.298 1.00 0.00 O ATOM 478 CB GLN A 36 -4.939 3.638 7.120 1.00 0.00 C ATOM 479 CG GLN A 36 -5.433 5.015 7.533 1.00 0.00 C ATOM 480 CD GLN A 36 -5.996 5.033 8.941 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.135 4.626 9.171 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.200 5.506 9.891 1.00 0.00 N ATOM 0 H GLN A 36 -2.593 3.146 5.926 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.464 3.829 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.835 3.608 6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.691 2.896 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.611 5.728 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.201 5.346 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.263 5.833 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.525 5.543 10.857 1.00 0.00 H new ATOM 491 N TYR A 37 -3.712 0.915 7.109 1.00 0.00 N ATOM 492 CA TYR A 37 -3.731 -0.528 7.324 1.00 0.00 C ATOM 493 C TYR A 37 -2.420 -1.162 6.870 1.00 0.00 C ATOM 494 O TYR A 37 -1.801 -0.709 5.908 1.00 0.00 O ATOM 495 CB TYR A 37 -4.903 -1.161 6.573 1.00 0.00 C ATOM 496 CG TYR A 37 -5.408 -2.439 7.207 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.054 -2.419 8.437 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.238 -3.663 6.574 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.515 -3.584 9.019 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.697 -4.834 7.150 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.335 -4.789 8.371 1.00 0.00 C ATOM 502 OH TYR A 37 -6.793 -5.951 8.947 1.00 0.00 O ATOM 0 H TYR A 37 -3.780 1.197 6.131 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.852 -0.710 8.392 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.721 -0.443 6.521 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.597 -1.370 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.198 -1.478 8.946 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.739 -3.701 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.014 -3.552 9.976 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.556 -5.779 6.646 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.587 -6.709 8.361 1.00 0.00 H new ATOM 512 N LEU A 38 -2.004 -2.212 7.570 1.00 0.00 N ATOM 513 CA LEU A 38 -0.767 -2.910 7.239 1.00 0.00 C ATOM 514 C LEU A 38 -0.909 -4.410 7.472 1.00 0.00 C ATOM 515 O LEU A 38 -1.052 -4.861 8.608 1.00 0.00 O ATOM 516 CB LEU A 38 0.391 -2.359 8.075 1.00 0.00 C ATOM 517 CG LEU A 38 0.870 -0.960 7.676 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.031 -0.077 8.904 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.178 -1.044 6.903 1.00 0.00 C ATOM 0 H LEU A 38 -2.505 -2.598 8.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.556 -2.744 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.086 -2.337 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.232 -3.049 8.003 1.00 0.00 H new ATOM 0 HG LEU A 38 0.116 -0.512 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.372 0.912 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.073 0.012 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.763 -0.521 9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.503 -0.041 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.939 -1.514 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.030 -1.638 6.001 1.00 0.00 H new ATOM 531 N GLY A 39 -0.867 -5.178 6.389 1.00 0.00 N ATOM 532 CA GLY A 39 -0.993 -6.620 6.496 1.00 0.00 C ATOM 533 C GLY A 39 -1.642 -7.240 5.275 1.00 0.00 C ATOM 534 O GLY A 39 -1.738 -6.604 4.224 1.00 0.00 O ATOM 0 H GLY A 39 -0.748 -4.828 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.005 -7.058 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.582 -6.865 7.380 1.00 0.00 H new ATOM 538 N GLU A 40 -2.087 -8.485 5.412 1.00 0.00 N ATOM 539 CA GLU A 40 -2.730 -9.192 4.310 1.00 0.00 C ATOM 540 C GLU A 40 -4.069 -8.550 3.958 1.00 0.00 C ATOM 541 O GLU A 40 -4.571 -7.697 4.690 1.00 0.00 O ATOM 542 CB GLU A 40 -2.936 -10.664 4.673 1.00 0.00 C ATOM 543 CG GLU A 40 -1.648 -11.390 5.021 1.00 0.00 C ATOM 544 CD GLU A 40 -1.852 -12.470 6.066 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.771 -13.298 5.892 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.092 -12.489 7.056 1.00 0.00 O ATOM 0 H GLU A 40 -2.014 -9.025 6.274 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.077 -9.127 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.620 -10.729 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.415 -11.172 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.232 -11.837 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.916 -10.669 5.386 1.00 0.00 H new ATOM 553 N THR A 41 -4.641 -8.967 2.834 1.00 0.00 N ATOM 554 CA THR A 41 -5.922 -8.433 2.384 1.00 0.00 C ATOM 555 C THR A 41 -6.901 -9.560 2.071 1.00 0.00 C ATOM 556 O THR A 41 -6.583 -10.737 2.241 1.00 0.00 O ATOM 557 CB THR A 41 -5.726 -7.553 1.148 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.797 -8.142 0.257 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.230 -6.162 1.477 1.00 0.00 C ATOM 0 H THR A 41 -4.238 -9.673 2.218 1.00 0.00 H new ATOM 0 HA THR A 41 -6.338 -7.828 3.189 1.00 0.00 H new ATOM 0 HB THR A 41 -6.712 -7.470 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.912 -7.746 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.112 -5.590 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.951 -5.662 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.269 -6.230 1.987 1.00 0.00 H new ATOM 567 N GLN A 42 -8.093 -9.192 1.613 1.00 0.00 N ATOM 568 CA GLN A 42 -9.118 -10.171 1.275 1.00 0.00 C ATOM 569 C GLN A 42 -9.325 -10.247 -0.234 1.00 0.00 C ATOM 570 O GLN A 42 -9.564 -11.321 -0.785 1.00 0.00 O ATOM 571 CB GLN A 42 -10.438 -9.818 1.965 1.00 0.00 C ATOM 572 CG GLN A 42 -10.459 -10.154 3.447 1.00 0.00 C ATOM 573 CD GLN A 42 -11.382 -11.312 3.770 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.473 -12.278 3.014 1.00 0.00 O ATOM 575 NE2 GLN A 42 -12.076 -11.219 4.899 1.00 0.00 N ATOM 0 H GLN A 42 -8.373 -8.222 1.468 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.781 -11.146 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.630 -8.752 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.251 -10.349 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.448 -10.398 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.774 -9.276 4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.970 -10.399 5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.715 -11.967 5.168 1.00 0.00 H new ATOM 584 N PHE A 43 -9.233 -9.099 -0.897 1.00 0.00 N ATOM 585 CA PHE A 43 -9.412 -9.035 -2.344 1.00 0.00 C ATOM 586 C PHE A 43 -8.302 -9.796 -3.063 1.00 0.00 C ATOM 587 O PHE A 43 -8.552 -10.500 -4.042 1.00 0.00 O ATOM 588 CB PHE A 43 -9.438 -7.578 -2.812 1.00 0.00 C ATOM 589 CG PHE A 43 -8.126 -6.865 -2.643 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.127 -6.991 -3.595 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.894 -6.067 -1.533 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.919 -6.336 -3.443 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.688 -5.411 -1.376 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.700 -5.545 -2.333 1.00 0.00 C ATOM 0 H PHE A 43 -9.036 -8.201 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.365 -9.503 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.724 -7.549 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.207 -7.041 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.294 -7.608 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.664 -5.957 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.148 -6.443 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.518 -4.794 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.758 -5.031 -2.213 1.00 0.00 H new ATOM 604 N ALA A 44 -7.076 -9.649 -2.572 1.00 0.00 N ATOM 605 CA ALA A 44 -5.928 -10.322 -3.168 1.00 0.00 C ATOM 606 C ALA A 44 -4.992 -10.868 -2.094 1.00 0.00 C ATOM 607 O ALA A 44 -4.890 -10.305 -1.004 1.00 0.00 O ATOM 608 CB ALA A 44 -5.179 -9.370 -4.089 1.00 0.00 C ATOM 0 H ALA A 44 -6.852 -9.070 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.296 -11.164 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.324 -9.885 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.845 -9.032 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.830 -8.510 -3.517 1.00 0.00 H new ATOM 614 N PRO A 45 -4.292 -11.978 -2.389 1.00 0.00 N ATOM 615 CA PRO A 45 -3.361 -12.598 -1.441 1.00 0.00 C ATOM 616 C PRO A 45 -2.100 -11.765 -1.238 1.00 0.00 C ATOM 617 O PRO A 45 -2.034 -10.609 -1.657 1.00 0.00 O ATOM 618 CB PRO A 45 -3.019 -13.934 -2.104 1.00 0.00 C ATOM 619 CG PRO A 45 -3.221 -13.696 -3.560 1.00 0.00 C ATOM 620 CD PRO A 45 -4.354 -12.712 -3.666 1.00 0.00 C ATOM 0 HA PRO A 45 -3.797 -12.699 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.992 -14.231 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.664 -14.733 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.316 -13.300 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.461 -14.625 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.228 -12.045 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.312 -13.215 -3.794 1.00 0.00 H new ATOM 628 N GLY A 46 -1.102 -12.359 -0.594 1.00 0.00 N ATOM 629 CA GLY A 46 0.143 -11.657 -0.347 1.00 0.00 C ATOM 630 C GLY A 46 -0.018 -10.515 0.636 1.00 0.00 C ATOM 631 O GLY A 46 -1.136 -10.174 1.023 1.00 0.00 O ATOM 0 H GLY A 46 -1.133 -13.315 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.883 -12.360 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.530 -11.269 -1.289 1.00 0.00 H new ATOM 635 N GLN A 47 1.100 -9.924 1.042 1.00 0.00 N ATOM 636 CA GLN A 47 1.078 -8.813 1.988 1.00 0.00 C ATOM 637 C GLN A 47 0.642 -7.522 1.301 1.00 0.00 C ATOM 638 O GLN A 47 0.758 -7.385 0.083 1.00 0.00 O ATOM 639 CB GLN A 47 2.458 -8.626 2.621 1.00 0.00 C ATOM 640 CG GLN A 47 3.086 -9.923 3.106 1.00 0.00 C ATOM 641 CD GLN A 47 2.319 -10.546 4.256 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.088 -10.553 4.267 1.00 0.00 O ATOM 643 NE2 GLN A 47 3.046 -11.075 5.234 1.00 0.00 N ATOM 0 H GLN A 47 2.033 -10.195 0.731 1.00 0.00 H new ATOM 0 HA GLN A 47 0.357 -9.049 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.122 -8.160 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.373 -7.937 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.133 -10.631 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.112 -9.731 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.064 -11.047 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.586 -11.509 6.034 1.00 0.00 H new ATOM 652 N TRP A 48 0.141 -6.579 2.091 1.00 0.00 N ATOM 653 CA TRP A 48 -0.313 -5.298 1.560 1.00 0.00 C ATOM 654 C TRP A 48 -0.076 -4.177 2.566 1.00 0.00 C ATOM 655 O TRP A 48 0.312 -4.425 3.708 1.00 0.00 O ATOM 656 CB TRP A 48 -1.797 -5.371 1.200 1.00 0.00 C ATOM 657 CG TRP A 48 -2.059 -6.061 -0.102 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.215 -7.402 -0.298 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.195 -5.448 -1.389 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.441 -7.662 -1.628 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.433 -6.479 -2.319 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.139 -4.129 -1.846 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.614 -6.230 -3.677 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.319 -3.883 -3.194 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.555 -4.928 -4.096 1.00 0.00 C ATOM 0 H TRP A 48 0.039 -6.677 3.101 1.00 0.00 H new ATOM 0 HA TRP A 48 0.262 -5.081 0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.331 -5.894 1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.203 -4.360 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.168 -8.150 0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.590 -8.585 -2.035 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.958 -3.316 -1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.794 -7.035 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.277 -2.867 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.693 -4.702 -5.143 1.00 0.00 H new ATOM 676 N ALA A 49 -0.314 -2.943 2.135 1.00 0.00 N ATOM 677 CA ALA A 49 -0.128 -1.782 2.998 1.00 0.00 C ATOM 678 C ALA A 49 -1.055 -0.642 2.591 1.00 0.00 C ATOM 679 O ALA A 49 -0.776 0.089 1.641 1.00 0.00 O ATOM 680 CB ALA A 49 1.323 -1.325 2.961 1.00 0.00 C ATOM 0 H ALA A 49 -0.636 -2.721 1.193 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.380 -2.073 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.448 -0.458 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.968 -2.133 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.594 -1.057 1.940 1.00 0.00 H new ATOM 686 N GLY A 50 -2.160 -0.497 3.315 1.00 0.00 N ATOM 687 CA GLY A 50 -3.111 0.556 3.014 1.00 0.00 C ATOM 688 C GLY A 50 -2.555 1.938 3.293 1.00 0.00 C ATOM 689 O GLY A 50 -2.261 2.277 4.439 1.00 0.00 O ATOM 0 H GLY A 50 -2.414 -1.090 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.402 0.490 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.014 0.405 3.605 1.00 0.00 H new ATOM 693 N VAL A 51 -2.409 2.740 2.242 1.00 0.00 N ATOM 694 CA VAL A 51 -1.885 4.093 2.379 1.00 0.00 C ATOM 695 C VAL A 51 -2.904 5.126 1.913 1.00 0.00 C ATOM 696 O VAL A 51 -3.593 4.925 0.912 1.00 0.00 O ATOM 697 CB VAL A 51 -0.582 4.276 1.579 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.067 5.611 1.910 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.378 3.128 1.850 1.00 0.00 C ATOM 0 H VAL A 51 -2.647 2.475 1.286 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.675 4.245 3.438 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.828 4.271 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.986 5.721 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.618 6.421 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.298 5.649 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.293 3.275 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.618 3.097 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.087 2.187 1.556 1.00 0.00 H new ATOM 709 N VAL A 52 -2.996 6.232 2.643 1.00 0.00 N ATOM 710 CA VAL A 52 -3.932 7.297 2.304 1.00 0.00 C ATOM 711 C VAL A 52 -3.208 8.490 1.688 1.00 0.00 C ATOM 712 O VAL A 52 -2.462 9.194 2.368 1.00 0.00 O ATOM 713 CB VAL A 52 -4.718 7.772 3.540 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.825 8.733 3.135 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.285 6.582 4.301 1.00 0.00 C ATOM 0 H VAL A 52 -2.433 6.414 3.474 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.630 6.882 1.577 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.033 8.304 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.368 9.057 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.390 9.601 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.511 8.231 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.837 6.936 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.955 6.020 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.469 5.937 4.627 1.00 0.00 H new ATOM 725 N LEU A 53 -3.434 8.712 0.398 1.00 0.00 N ATOM 726 CA LEU A 53 -2.804 9.821 -0.309 1.00 0.00 C ATOM 727 C LEU A 53 -3.414 11.153 0.114 1.00 0.00 C ATOM 728 O LEU A 53 -4.595 11.226 0.453 1.00 0.00 O ATOM 729 CB LEU A 53 -2.949 9.637 -1.822 1.00 0.00 C ATOM 730 CG LEU A 53 -2.102 8.513 -2.422 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.514 8.246 -3.861 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.623 8.862 -2.345 1.00 0.00 C ATOM 0 H LEU A 53 -4.049 8.139 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.745 9.829 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.997 9.443 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.684 10.573 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.272 7.606 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.901 7.444 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.563 7.953 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.373 9.150 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.035 8.052 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.437 9.781 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.336 9.004 -1.303 1.00 0.00 H new ATOM 744 N ASP A 54 -2.601 12.204 0.092 1.00 0.00 N ATOM 745 CA ASP A 54 -3.062 13.534 0.473 1.00 0.00 C ATOM 746 C ASP A 54 -4.178 14.010 -0.451 1.00 0.00 C ATOM 747 O ASP A 54 -5.187 14.547 0.004 1.00 0.00 O ATOM 748 CB ASP A 54 -1.899 14.528 0.440 1.00 0.00 C ATOM 749 CG ASP A 54 -0.875 14.255 1.523 1.00 0.00 C ATOM 750 OD1 ASP A 54 -1.101 14.682 2.675 1.00 0.00 O ATOM 751 OD2 ASP A 54 0.154 13.615 1.221 1.00 0.00 O ATOM 0 H ASP A 54 -1.620 12.161 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.455 13.477 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.414 14.483 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.286 15.540 0.557 1.00 0.00 H new ATOM 756 N ASP A 55 -3.989 13.807 -1.751 1.00 0.00 N ATOM 757 CA ASP A 55 -4.982 14.215 -2.740 1.00 0.00 C ATOM 758 C ASP A 55 -5.769 13.011 -3.250 1.00 0.00 C ATOM 759 O ASP A 55 -5.311 11.872 -3.154 1.00 0.00 O ATOM 760 CB ASP A 55 -4.302 14.928 -3.911 1.00 0.00 C ATOM 761 CG ASP A 55 -4.059 16.398 -3.630 1.00 0.00 C ATOM 762 OD1 ASP A 55 -5.034 17.111 -3.315 1.00 0.00 O ATOM 763 OD2 ASP A 55 -2.893 16.836 -3.727 1.00 0.00 O ATOM 0 H ASP A 55 -3.159 13.363 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.677 14.903 -2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.352 14.440 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.921 14.829 -4.802 1.00 0.00 H new ATOM 768 N PRO A 56 -6.971 13.247 -3.803 1.00 0.00 N ATOM 769 CA PRO A 56 -7.822 12.175 -4.330 1.00 0.00 C ATOM 770 C PRO A 56 -7.254 11.559 -5.604 1.00 0.00 C ATOM 771 O PRO A 56 -7.849 11.664 -6.677 1.00 0.00 O ATOM 772 CB PRO A 56 -9.147 12.885 -4.621 1.00 0.00 C ATOM 773 CG PRO A 56 -8.771 14.308 -4.853 1.00 0.00 C ATOM 774 CD PRO A 56 -7.594 14.576 -3.957 1.00 0.00 C ATOM 0 HA PRO A 56 -7.914 11.344 -3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.641 12.459 -5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.839 12.790 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.513 14.478 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.601 14.974 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.905 15.293 -4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.905 14.987 -2.997 1.00 0.00 H new ATOM 782 N VAL A 57 -6.099 10.915 -5.478 1.00 0.00 N ATOM 783 CA VAL A 57 -5.450 10.279 -6.619 1.00 0.00 C ATOM 784 C VAL A 57 -5.077 8.835 -6.306 1.00 0.00 C ATOM 785 O VAL A 57 -4.095 8.309 -6.829 1.00 0.00 O ATOM 786 CB VAL A 57 -4.182 11.045 -7.042 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.539 12.438 -7.540 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.192 11.120 -5.890 1.00 0.00 C ATOM 0 H VAL A 57 -5.593 10.819 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.167 10.296 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.710 10.502 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.630 12.963 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.206 12.358 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.037 12.992 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.303 11.665 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.652 11.637 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.910 10.112 -5.586 1.00 0.00 H new ATOM 798 N GLY A 58 -5.870 8.197 -5.450 1.00 0.00 N ATOM 799 CA GLY A 58 -5.606 6.818 -5.083 1.00 0.00 C ATOM 800 C GLY A 58 -6.328 5.831 -5.979 1.00 0.00 C ATOM 801 O GLY A 58 -6.340 5.985 -7.200 1.00 0.00 O ATOM 0 H GLY A 58 -6.689 8.610 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.533 6.631 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.911 6.656 -4.049 1.00 0.00 H new ATOM 805 N LYS A 59 -6.932 4.815 -5.372 1.00 0.00 N ATOM 806 CA LYS A 59 -7.659 3.798 -6.123 1.00 0.00 C ATOM 807 C LYS A 59 -9.003 3.494 -5.468 1.00 0.00 C ATOM 808 O LYS A 59 -10.050 3.575 -6.109 1.00 0.00 O ATOM 809 CB LYS A 59 -6.828 2.519 -6.227 1.00 0.00 C ATOM 810 CG LYS A 59 -5.935 2.472 -7.458 1.00 0.00 C ATOM 811 CD LYS A 59 -5.772 1.052 -7.976 1.00 0.00 C ATOM 812 CE LYS A 59 -4.386 0.504 -7.673 1.00 0.00 C ATOM 813 NZ LYS A 59 -4.129 -0.781 -8.381 1.00 0.00 N ATOM 0 H LYS A 59 -6.932 4.674 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.843 4.185 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.209 2.424 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.499 1.660 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.361 3.099 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.956 2.886 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.526 0.409 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.944 1.034 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.634 1.237 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.282 0.353 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.174 -1.121 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.831 -1.488 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.203 -0.632 -9.408 1.00 0.00 H new ATOM 827 N ASN A 60 -8.965 3.145 -4.186 1.00 0.00 N ATOM 828 CA ASN A 60 -10.179 2.829 -3.443 1.00 0.00 C ATOM 829 C ASN A 60 -10.504 3.930 -2.440 1.00 0.00 C ATOM 830 O ASN A 60 -9.718 4.858 -2.244 1.00 0.00 O ATOM 831 CB ASN A 60 -10.026 1.491 -2.718 1.00 0.00 C ATOM 832 CG ASN A 60 -9.543 0.387 -3.638 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.164 0.099 -4.662 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.428 -0.238 -3.277 1.00 0.00 N ATOM 0 H ASN A 60 -8.106 3.074 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.002 2.756 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.323 1.606 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.984 1.205 -2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.054 -0.989 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.946 0.033 -2.420 1.00 0.00 H new ATOM 841 N ASP A 61 -11.667 3.821 -1.804 1.00 0.00 N ATOM 842 CA ASP A 61 -12.096 4.809 -0.820 1.00 0.00 C ATOM 843 C ASP A 61 -12.028 4.234 0.591 1.00 0.00 C ATOM 844 O ASP A 61 -12.813 4.609 1.462 1.00 0.00 O ATOM 845 CB ASP A 61 -13.520 5.279 -1.124 1.00 0.00 C ATOM 846 CG ASP A 61 -14.519 4.139 -1.115 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.235 3.094 -1.738 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.586 4.289 -0.483 1.00 0.00 O ATOM 0 H ASP A 61 -12.328 3.059 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.420 5.662 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.818 6.026 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.538 5.767 -2.098 1.00 0.00 H new ATOM 853 N GLY A 62 -11.085 3.323 0.810 1.00 0.00 N ATOM 854 CA GLY A 62 -10.933 2.712 2.118 1.00 0.00 C ATOM 855 C GLY A 62 -11.328 1.249 2.124 1.00 0.00 C ATOM 856 O GLY A 62 -10.817 0.465 2.925 1.00 0.00 O ATOM 0 H GLY A 62 -10.424 2.997 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.896 2.807 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.543 3.253 2.841 1.00 0.00 H new ATOM 860 N ALA A 63 -12.238 0.879 1.230 1.00 0.00 N ATOM 861 CA ALA A 63 -12.701 -0.500 1.135 1.00 0.00 C ATOM 862 C ALA A 63 -12.336 -1.111 -0.213 1.00 0.00 C ATOM 863 O ALA A 63 -12.191 -0.402 -1.208 1.00 0.00 O ATOM 864 CB ALA A 63 -14.205 -0.568 1.357 1.00 0.00 C ATOM 0 H ALA A 63 -12.670 1.516 0.560 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.203 -1.078 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.537 -1.604 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.445 -0.180 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.712 0.030 0.600 1.00 0.00 H new ATOM 870 N VAL A 64 -12.187 -2.432 -0.238 1.00 0.00 N ATOM 871 CA VAL A 64 -11.839 -3.138 -1.465 1.00 0.00 C ATOM 872 C VAL A 64 -12.534 -4.493 -1.536 1.00 0.00 C ATOM 873 O VAL A 64 -12.300 -5.366 -0.700 1.00 0.00 O ATOM 874 CB VAL A 64 -10.317 -3.348 -1.579 1.00 0.00 C ATOM 875 CG1 VAL A 64 -9.955 -3.904 -2.947 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.577 -2.046 -1.311 1.00 0.00 C ATOM 0 H VAL A 64 -12.302 -3.034 0.577 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.176 -2.516 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.012 -4.074 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.876 -4.045 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.455 -4.861 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.274 -3.205 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.503 -2.214 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.886 -1.296 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.811 -1.695 -0.306 1.00 0.00 H new ATOM 886 N GLY A 65 -13.389 -4.662 -2.539 1.00 0.00 N ATOM 887 CA GLY A 65 -14.105 -5.914 -2.700 1.00 0.00 C ATOM 888 C GLY A 65 -15.078 -6.176 -1.567 1.00 0.00 C ATOM 889 O GLY A 65 -15.241 -7.316 -1.133 1.00 0.00 O ATOM 0 H GLY A 65 -13.599 -3.955 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.648 -5.899 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.389 -6.734 -2.757 1.00 0.00 H new ATOM 893 N GLY A 66 -15.723 -5.118 -1.089 1.00 0.00 N ATOM 894 CA GLY A 66 -16.677 -5.261 -0.003 1.00 0.00 C ATOM 895 C GLY A 66 -16.002 -5.480 1.336 1.00 0.00 C ATOM 896 O GLY A 66 -16.570 -6.113 2.228 1.00 0.00 O ATOM 0 H GLY A 66 -15.603 -4.165 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.300 -4.368 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.340 -6.100 -0.214 1.00 0.00 H new ATOM 900 N VAL A 67 -14.790 -4.957 1.479 1.00 0.00 N ATOM 901 CA VAL A 67 -14.037 -5.099 2.720 1.00 0.00 C ATOM 902 C VAL A 67 -13.356 -3.790 3.103 1.00 0.00 C ATOM 903 O VAL A 67 -12.389 -3.373 2.466 1.00 0.00 O ATOM 904 CB VAL A 67 -12.972 -6.205 2.607 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.337 -6.476 3.963 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.578 -7.475 2.031 1.00 0.00 C ATOM 0 H VAL A 67 -14.307 -4.431 0.751 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.753 -5.373 3.495 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.191 -5.863 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.587 -7.261 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.864 -5.566 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.105 -6.796 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.810 -8.245 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.380 -7.823 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.979 -7.269 1.039 1.00 0.00 H new ATOM 916 N ARG A 68 -13.869 -3.145 4.145 1.00 0.00 N ATOM 917 CA ARG A 68 -13.310 -1.882 4.613 1.00 0.00 C ATOM 918 C ARG A 68 -12.131 -2.122 5.551 1.00 0.00 C ATOM 919 O ARG A 68 -12.234 -2.888 6.510 1.00 0.00 O ATOM 920 CB ARG A 68 -14.385 -1.057 5.324 1.00 0.00 C ATOM 921 CG ARG A 68 -14.341 0.423 4.981 1.00 0.00 C ATOM 922 CD ARG A 68 -14.878 1.278 6.118 1.00 0.00 C ATOM 923 NE ARG A 68 -15.904 2.213 5.662 1.00 0.00 N ATOM 924 CZ ARG A 68 -15.642 3.330 4.987 1.00 0.00 C ATOM 925 NH1 ARG A 68 -14.390 3.653 4.686 1.00 0.00 N ATOM 926 NH2 ARG A 68 -16.634 4.125 4.609 1.00 0.00 N ATOM 0 H ARG A 68 -14.671 -3.476 4.682 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.952 -1.328 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.367 -1.453 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.269 -1.176 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.315 0.715 4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.926 0.606 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.294 0.633 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.058 1.833 6.573 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.878 1.997 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.623 3.044 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.195 4.510 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.598 3.881 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.433 4.981 4.092 1.00 0.00 H new ATOM 940 N TYR A 69 -11.012 -1.464 5.268 1.00 0.00 N ATOM 941 CA TYR A 69 -9.814 -1.606 6.087 1.00 0.00 C ATOM 942 C TYR A 69 -9.619 -0.388 6.983 1.00 0.00 C ATOM 943 O TYR A 69 -9.289 -0.518 8.162 1.00 0.00 O ATOM 944 CB TYR A 69 -8.584 -1.799 5.198 1.00 0.00 C ATOM 945 CG TYR A 69 -8.690 -2.985 4.266 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.464 -2.921 3.115 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.014 -4.169 4.538 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.563 -4.004 2.260 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.108 -5.255 3.688 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.883 -5.167 2.552 1.00 0.00 C ATOM 951 OH TYR A 69 -8.978 -6.246 1.703 1.00 0.00 O ATOM 0 H TYR A 69 -10.910 -0.827 4.478 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.940 -2.484 6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.428 -0.896 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.705 -1.922 5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.997 -2.011 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.406 -4.241 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.170 -3.939 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.577 -6.168 3.913 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.733 -6.116 1.092 1.00 0.00 H new ATOM 961 N PHE A 70 -9.827 0.796 6.417 1.00 0.00 N ATOM 962 CA PHE A 70 -9.674 2.039 7.165 1.00 0.00 C ATOM 963 C PHE A 70 -10.653 3.098 6.667 1.00 0.00 C ATOM 964 O PHE A 70 -10.885 3.225 5.465 1.00 0.00 O ATOM 965 CB PHE A 70 -8.240 2.557 7.045 1.00 0.00 C ATOM 966 CG PHE A 70 -7.755 2.659 5.628 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.175 1.568 4.999 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.882 3.845 4.922 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.729 1.660 3.694 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.438 3.942 3.617 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.861 2.848 3.003 1.00 0.00 C ATOM 0 H PHE A 70 -10.102 0.921 5.443 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.892 1.833 8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.177 3.539 7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.576 1.895 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.071 0.636 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.333 4.703 5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.278 0.803 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.542 4.872 3.078 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.513 2.922 1.983 1.00 0.00 H new ATOM 981 N GLU A 71 -11.221 3.855 7.598 1.00 0.00 N ATOM 982 CA GLU A 71 -12.175 4.904 7.252 1.00 0.00 C ATOM 983 C GLU A 71 -11.452 6.163 6.785 1.00 0.00 C ATOM 984 O GLU A 71 -10.843 6.874 7.585 1.00 0.00 O ATOM 985 CB GLU A 71 -13.069 5.225 8.453 1.00 0.00 C ATOM 986 CG GLU A 71 -14.555 5.137 8.145 1.00 0.00 C ATOM 987 CD GLU A 71 -15.400 5.929 9.123 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.766 5.371 10.180 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.696 7.107 8.834 1.00 0.00 O ATOM 0 H GLU A 71 -11.039 3.763 8.597 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.797 4.542 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.833 4.537 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.839 6.229 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.735 5.504 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.865 4.092 8.165 1.00 0.00 H new ATOM 996 N CYS A 72 -11.525 6.434 5.486 1.00 0.00 N ATOM 997 CA CYS A 72 -10.877 7.608 4.913 1.00 0.00 C ATOM 998 C CYS A 72 -11.675 8.143 3.726 1.00 0.00 C ATOM 999 O CYS A 72 -12.578 7.475 3.222 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.453 7.267 4.473 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.193 7.604 5.726 1.00 0.00 S ATOM 0 H CYS A 72 -12.026 5.857 4.811 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.836 8.381 5.680 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.410 6.211 4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.216 7.835 3.573 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.715 7.481 6.910 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.351 9.363 3.262 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.043 9.986 2.129 1.00 0.00 C ATOM 1009 C PRO A 73 -12.098 9.070 0.911 1.00 0.00 C ATOM 1010 O PRO A 73 -11.614 7.939 0.950 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.194 11.223 1.831 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.528 11.547 3.122 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.288 10.229 3.806 1.00 0.00 C ATOM 0 HA PRO A 73 -13.083 10.214 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.463 11.022 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.811 12.052 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.590 12.077 2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.156 12.195 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.296 9.836 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.359 10.320 4.890 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.691 9.566 -0.171 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.809 8.793 -1.400 1.00 0.00 C ATOM 1023 C ALA A 74 -11.612 9.026 -2.314 1.00 0.00 C ATOM 1024 O ALA A 74 -11.061 10.126 -2.362 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.103 9.143 -2.121 1.00 0.00 C ATOM 0 H ALA A 74 -13.097 10.500 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.828 7.736 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.178 8.558 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.952 8.917 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.107 10.205 -2.367 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.214 7.985 -3.037 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.081 8.075 -3.951 1.00 0.00 C ATOM 1033 C LEU A 75 -8.807 8.462 -3.205 1.00 0.00 C ATOM 1034 O LEU A 75 -7.910 9.086 -3.771 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.370 9.098 -5.052 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.604 8.799 -5.905 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.155 10.079 -6.512 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.266 7.792 -6.994 1.00 0.00 C ATOM 0 H LEU A 75 -11.660 7.068 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.932 7.094 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.494 10.079 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.501 9.160 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.371 8.366 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.033 9.847 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.434 10.769 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.394 10.541 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.155 7.590 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.483 8.198 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.918 6.865 -6.537 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.734 8.085 -1.932 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.570 8.392 -1.109 1.00 0.00 C ATOM 1052 C GLN A 76 -6.962 7.121 -0.527 1.00 0.00 C ATOM 1053 O GLN A 76 -5.742 6.974 -0.467 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.954 9.351 0.019 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.820 10.818 -0.358 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.030 11.744 0.824 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.915 12.600 0.808 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.215 11.578 1.860 1.00 0.00 N ATOM 0 H GLN A 76 -9.467 7.567 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.825 8.870 -1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.984 9.154 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.326 9.148 0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.830 10.992 -0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.545 11.057 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.495 10.856 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.310 12.172 2.684 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.823 6.206 -0.099 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.356 4.957 0.474 1.00 0.00 C ATOM 1069 C GLY A 77 -6.864 3.984 -0.580 1.00 0.00 C ATOM 1070 O GLY A 77 -7.531 2.994 -0.879 1.00 0.00 O ATOM 0 H GLY A 77 -8.837 6.306 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.550 5.163 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.165 4.496 1.041 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.693 4.266 -1.142 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.112 3.409 -2.168 1.00 0.00 C ATOM 1076 C ILE A 78 -4.401 2.213 -1.543 1.00 0.00 C ATOM 1077 O ILE A 78 -3.812 2.320 -0.467 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.117 4.188 -3.052 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.589 3.296 -4.178 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.968 4.728 -2.212 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.059 4.070 -5.365 1.00 0.00 C ATOM 0 H ILE A 78 -5.128 5.081 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.933 3.053 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.641 5.032 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.795 2.661 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.389 2.636 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.275 5.275 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.360 5.397 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.444 3.899 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.702 3.373 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.856 4.685 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.237 4.710 -5.044 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.458 1.073 -2.225 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.819 -0.144 -1.737 1.00 0.00 C ATOM 1095 C PHE A 79 -2.649 -0.539 -2.631 1.00 0.00 C ATOM 1096 O PHE A 79 -2.806 -0.706 -3.840 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.836 -1.285 -1.667 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.288 -1.602 -0.269 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.419 -2.189 0.637 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.581 -1.314 0.137 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -4.831 -2.481 1.923 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.999 -1.604 1.421 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.124 -2.189 2.315 1.00 0.00 C ATOM 0 H PHE A 79 -4.940 0.967 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.435 0.051 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.705 -1.024 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.398 -2.179 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.408 -2.421 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.270 -0.858 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.144 -2.937 2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.009 -1.373 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.449 -2.418 3.319 1.00 0.00 H new ATOM 1113 N THR A 80 -1.475 -0.690 -2.026 1.00 0.00 N ATOM 1114 CA THR A 80 -0.276 -1.067 -2.767 1.00 0.00 C ATOM 1115 C THR A 80 0.683 -1.854 -1.879 1.00 0.00 C ATOM 1116 O THR A 80 0.597 -1.797 -0.652 1.00 0.00 O ATOM 1117 CB THR A 80 0.423 0.178 -3.316 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.694 -0.154 -3.844 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.623 1.258 -2.277 1.00 0.00 C ATOM 0 H THR A 80 -1.328 -0.557 -1.025 1.00 0.00 H new ATOM 0 HA THR A 80 -0.577 -1.702 -3.601 1.00 0.00 H new ATOM 0 HB THR A 80 -0.238 0.563 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.125 0.654 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.124 2.112 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.345 1.571 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.235 0.870 -1.462 1.00 0.00 H new ATOM 1127 N ARG A 81 1.597 -2.586 -2.507 1.00 0.00 N ATOM 1128 CA ARG A 81 2.573 -3.383 -1.772 1.00 0.00 C ATOM 1129 C ARG A 81 3.473 -2.490 -0.920 1.00 0.00 C ATOM 1130 O ARG A 81 3.952 -1.456 -1.386 1.00 0.00 O ATOM 1131 CB ARG A 81 3.422 -4.207 -2.742 1.00 0.00 C ATOM 1132 CG ARG A 81 2.605 -4.957 -3.781 1.00 0.00 C ATOM 1133 CD ARG A 81 3.452 -5.979 -4.522 1.00 0.00 C ATOM 1134 NE ARG A 81 4.085 -5.407 -5.708 1.00 0.00 N ATOM 1135 CZ ARG A 81 3.457 -5.217 -6.866 1.00 0.00 C ATOM 1136 NH1 ARG A 81 2.179 -5.552 -6.998 1.00 0.00 N ATOM 1137 NH2 ARG A 81 4.107 -4.690 -7.895 1.00 0.00 N ATOM 0 H ARG A 81 1.683 -2.644 -3.522 1.00 0.00 H new ATOM 0 HA ARG A 81 2.031 -4.059 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.122 -3.545 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.016 -4.923 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.769 -5.459 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.181 -4.249 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.220 -6.368 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.828 -6.823 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 81 5.067 -5.137 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.674 -5.957 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.702 -5.404 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.089 -4.430 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.625 -4.545 -8.782 1.00 0.00 H new ATOM 1151 N PRO A 82 3.721 -2.876 0.345 1.00 0.00 N ATOM 1152 CA PRO A 82 4.571 -2.100 1.252 1.00 0.00 C ATOM 1153 C PRO A 82 5.933 -1.783 0.641 1.00 0.00 C ATOM 1154 O PRO A 82 6.453 -0.680 0.798 1.00 0.00 O ATOM 1155 CB PRO A 82 4.731 -3.016 2.467 1.00 0.00 C ATOM 1156 CG PRO A 82 3.529 -3.894 2.440 1.00 0.00 C ATOM 1157 CD PRO A 82 3.195 -4.096 0.989 1.00 0.00 C ATOM 0 HA PRO A 82 4.132 -1.131 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.649 -3.600 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.781 -2.442 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.731 -4.847 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.697 -3.432 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.664 -4.995 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.121 -4.201 0.834 1.00 0.00 H new ATOM 1165 N SER A 83 6.504 -2.761 -0.053 1.00 0.00 N ATOM 1166 CA SER A 83 7.806 -2.589 -0.687 1.00 0.00 C ATOM 1167 C SER A 83 7.771 -1.453 -1.706 1.00 0.00 C ATOM 1168 O SER A 83 8.738 -0.705 -1.849 1.00 0.00 O ATOM 1169 CB SER A 83 8.242 -3.887 -1.369 1.00 0.00 C ATOM 1170 OG SER A 83 7.545 -4.081 -2.588 1.00 0.00 O ATOM 0 H SER A 83 6.086 -3.681 -0.191 1.00 0.00 H new ATOM 0 HA SER A 83 8.528 -2.335 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.315 -3.859 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.059 -4.731 -0.703 1.00 0.00 H new ATOM 0 HG SER A 83 7.842 -4.916 -3.006 1.00 0.00 H new ATOM 1176 N LYS A 84 6.651 -1.330 -2.410 1.00 0.00 N ATOM 1177 CA LYS A 84 6.491 -0.285 -3.415 1.00 0.00 C ATOM 1178 C LYS A 84 6.596 1.100 -2.783 1.00 0.00 C ATOM 1179 O LYS A 84 7.005 2.061 -3.435 1.00 0.00 O ATOM 1180 CB LYS A 84 5.145 -0.434 -4.127 1.00 0.00 C ATOM 1181 CG LYS A 84 5.086 -1.624 -5.072 1.00 0.00 C ATOM 1182 CD LYS A 84 5.646 -1.278 -6.444 1.00 0.00 C ATOM 1183 CE LYS A 84 4.609 -1.478 -7.538 1.00 0.00 C ATOM 1184 NZ LYS A 84 5.241 -1.729 -8.863 1.00 0.00 N ATOM 0 H LYS A 84 5.841 -1.941 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 84 7.293 -0.392 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.357 -0.534 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.938 0.477 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.649 -2.455 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.053 -1.958 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.985 -0.242 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.517 -1.900 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.965 -2.318 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.973 -0.595 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.501 -1.860 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.836 -0.917 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.828 -2.586 -8.811 1.00 0.00 H new ATOM 1198 N LEU A 85 6.222 1.196 -1.511 1.00 0.00 N ATOM 1199 CA LEU A 85 6.276 2.465 -0.793 1.00 0.00 C ATOM 1200 C LEU A 85 7.705 2.795 -0.374 1.00 0.00 C ATOM 1201 O LEU A 85 8.528 1.900 -0.180 1.00 0.00 O ATOM 1202 CB LEU A 85 5.370 2.416 0.440 1.00 0.00 C ATOM 1203 CG LEU A 85 3.988 1.805 0.204 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.403 1.289 1.509 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.057 2.826 -0.434 1.00 0.00 C ATOM 0 H LEU A 85 5.879 0.412 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 85 5.924 3.248 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.874 1.846 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.242 3.430 0.819 1.00 0.00 H new ATOM 0 HG LEU A 85 4.095 0.963 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.420 0.858 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.060 0.526 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.309 2.113 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.078 2.375 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.955 3.688 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.470 3.148 -1.390 1.00 0.00 H new ATOM 1217 N THR A 86 7.994 4.085 -0.236 1.00 0.00 N ATOM 1218 CA THR A 86 9.324 4.532 0.159 1.00 0.00 C ATOM 1219 C THR A 86 9.238 5.665 1.176 1.00 0.00 C ATOM 1220 O THR A 86 8.205 6.323 1.301 1.00 0.00 O ATOM 1221 CB THR A 86 10.115 4.991 -1.067 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.405 5.989 -1.777 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.423 3.869 -2.035 1.00 0.00 C ATOM 0 H THR A 86 7.325 4.839 -0.392 1.00 0.00 H new ATOM 0 HA THR A 86 9.840 3.691 0.622 1.00 0.00 H new ATOM 0 HB THR A 86 11.055 5.379 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.879 6.844 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.986 4.263 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.014 3.105 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.491 3.430 -2.391 1.00 0.00 H new ATOM 1231 N ARG A 87 10.330 5.887 1.901 1.00 0.00 N ATOM 1232 CA ARG A 87 10.377 6.941 2.908 1.00 0.00 C ATOM 1233 C ARG A 87 11.087 8.179 2.367 1.00 0.00 C ATOM 1234 O ARG A 87 11.788 8.875 3.100 1.00 0.00 O ATOM 1235 CB ARG A 87 11.088 6.440 4.166 1.00 0.00 C ATOM 1236 CG ARG A 87 10.287 5.415 4.950 1.00 0.00 C ATOM 1237 CD ARG A 87 11.007 4.999 6.222 1.00 0.00 C ATOM 1238 NE ARG A 87 11.752 3.755 6.049 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.194 2.547 6.069 1.00 0.00 C ATOM 1240 NH1 ARG A 87 9.887 2.415 6.253 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.946 1.466 5.903 1.00 0.00 N ATOM 0 H ARG A 87 11.193 5.352 1.810 1.00 0.00 H new ATOM 0 HA ARG A 87 9.353 7.214 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.045 6.001 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.306 7.290 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.311 5.830 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.109 4.538 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.691 5.791 6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.281 4.878 7.026 1.00 0.00 H new ATOM 0 HE ARG A 87 12.760 3.816 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.304 3.242 6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.465 1.486 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.951 1.561 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.518 0.540 5.918 1.00 0.00 H new ATOM 1255 N GLN A 88 10.900 8.445 1.078 1.00 0.00 N ATOM 1256 CA GLN A 88 11.522 9.600 0.439 1.00 0.00 C ATOM 1257 C GLN A 88 11.032 9.755 -1.000 1.00 0.00 C ATOM 1258 O GLN A 88 10.734 8.768 -1.672 1.00 0.00 O ATOM 1259 CB GLN A 88 13.047 9.461 0.463 1.00 0.00 C ATOM 1260 CG GLN A 88 13.719 10.324 1.519 1.00 0.00 C ATOM 1261 CD GLN A 88 14.465 11.501 0.921 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.984 11.421 -0.192 1.00 0.00 O ATOM 1263 NE2 GLN A 88 14.523 12.602 1.661 1.00 0.00 N ATOM 0 H GLN A 88 10.324 7.878 0.456 1.00 0.00 H new ATOM 0 HA GLN A 88 11.238 10.492 0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.306 8.417 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.443 9.726 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.966 10.692 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.414 9.712 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.078 12.624 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.012 13.426 1.312 1.00 0.00 H new ATOM 1272 N PRO A 89 10.943 11.003 -1.492 1.00 0.00 N ATOM 1273 CA PRO A 89 10.488 11.281 -2.858 1.00 0.00 C ATOM 1274 C PRO A 89 11.517 10.873 -3.907 1.00 0.00 C ATOM 1275 O PRO A 89 12.712 11.118 -3.746 1.00 0.00 O ATOM 1276 CB PRO A 89 10.292 12.798 -2.862 1.00 0.00 C ATOM 1277 CG PRO A 89 11.229 13.303 -1.819 1.00 0.00 C ATOM 1278 CD PRO A 89 11.279 12.238 -0.758 1.00 0.00 C ATOM 0 HA PRO A 89 9.589 10.720 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.520 13.224 -3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.261 13.065 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.219 13.484 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.880 14.250 -1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.265 12.176 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.566 12.435 0.043 1.00 0.00 H new ATOM 1286 N SER A 90 11.044 10.248 -4.980 1.00 0.00 N ATOM 1287 CA SER A 90 11.923 9.806 -6.056 1.00 0.00 C ATOM 1288 C SER A 90 11.777 10.700 -7.282 1.00 0.00 C ATOM 1289 O SER A 90 10.712 10.759 -7.897 1.00 0.00 O ATOM 1290 CB SER A 90 11.615 8.355 -6.430 1.00 0.00 C ATOM 1291 OG SER A 90 12.668 7.789 -7.191 1.00 0.00 O ATOM 0 H SER A 90 10.057 10.036 -5.127 1.00 0.00 H new ATOM 0 HA SER A 90 12.951 9.873 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.460 7.768 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.687 8.312 -7.000 1.00 0.00 H new ATOM 0 HG SER A 90 12.447 6.861 -7.416 1.00 0.00 H new ATOM 1297 N GLY A 91 12.853 11.397 -7.632 1.00 0.00 N ATOM 1298 CA GLY A 91 12.823 12.279 -8.783 1.00 0.00 C ATOM 1299 C GLY A 91 12.664 11.525 -10.090 1.00 0.00 C ATOM 1300 O GLY A 91 11.545 11.352 -10.576 1.00 0.00 O ATOM 0 H GLY A 91 13.745 11.366 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.001 12.986 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 91 13.743 12.862 -8.814 1.00 0.00 H new ATOM 1304 N PRO A 92 13.773 11.059 -10.688 1.00 0.00 N ATOM 1305 CA PRO A 92 13.736 10.316 -11.952 1.00 0.00 C ATOM 1306 C PRO A 92 13.123 8.929 -11.791 1.00 0.00 C ATOM 1307 O PRO A 92 12.730 8.537 -10.692 1.00 0.00 O ATOM 1308 CB PRO A 92 15.211 10.206 -12.344 1.00 0.00 C ATOM 1309 CG PRO A 92 15.954 10.299 -11.056 1.00 0.00 C ATOM 1310 CD PRO A 92 15.148 11.220 -10.179 1.00 0.00 C ATOM 0 HA PRO A 92 13.119 10.815 -12.699 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.416 9.264 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.500 11.006 -13.026 1.00 0.00 H new ATOM 0 HG2 PRO A 92 16.062 9.317 -10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.959 10.690 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.223 10.941 -9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.488 12.252 -10.260 1.00 0.00 H new ATOM 1318 N SER A 93 13.045 8.190 -12.893 1.00 0.00 N ATOM 1319 CA SER A 93 12.479 6.846 -12.874 1.00 0.00 C ATOM 1320 C SER A 93 13.570 5.794 -13.036 1.00 0.00 C ATOM 1321 O SER A 93 13.550 4.758 -12.371 1.00 0.00 O ATOM 1322 CB SER A 93 11.437 6.693 -13.984 1.00 0.00 C ATOM 1323 OG SER A 93 10.686 7.884 -14.148 1.00 0.00 O ATOM 0 H SER A 93 13.367 8.499 -13.810 1.00 0.00 H new ATOM 0 HA SER A 93 11.996 6.696 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.934 6.441 -14.921 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.767 5.867 -13.746 1.00 0.00 H new ATOM 0 HG SER A 93 10.029 7.760 -14.864 1.00 0.00 H new ATOM 1329 N SER A 94 14.522 6.067 -13.922 1.00 0.00 N ATOM 1330 CA SER A 94 15.623 5.143 -14.171 1.00 0.00 C ATOM 1331 C SER A 94 16.816 5.467 -13.278 1.00 0.00 C ATOM 1332 O SER A 94 16.897 6.551 -12.701 1.00 0.00 O ATOM 1333 CB SER A 94 16.039 5.197 -15.643 1.00 0.00 C ATOM 1334 OG SER A 94 16.249 3.894 -16.160 1.00 0.00 O ATOM 0 H SER A 94 14.553 6.920 -14.480 1.00 0.00 H new ATOM 0 HA SER A 94 15.281 4.135 -13.936 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.268 5.703 -16.224 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.952 5.784 -15.745 1.00 0.00 H new ATOM 0 HG SER A 94 16.512 3.954 -17.102 1.00 0.00 H new ATOM 1340 N GLY A 95 17.742 4.519 -13.171 1.00 0.00 N ATOM 1341 CA GLY A 95 18.920 4.724 -12.348 1.00 0.00 C ATOM 1342 C GLY A 95 19.887 5.720 -12.955 1.00 0.00 C ATOM 1343 O GLY A 95 20.775 6.207 -12.225 1.00 0.00 O ATOM 1344 OXT GLY A 95 19.757 6.013 -14.163 1.00 0.00 O ATOM 0 H GLY A 95 17.698 3.614 -13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.614 5.074 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.429 3.771 -12.204 1.00 0.00 H new TER 1348 GLY A 95