USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 835 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 ALA N :NH3+ 130:sc= 0.0806 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.39) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= -0.0244 (180deg=-0.115) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.48) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 47 GLN : amide:sc= 0.0907 X(o=0.091,f=-0.03) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc=-0.00762 (180deg=-0.938) USER MOD Single : A 56 HIS : no HE2:sc= 0.456 K(o=0.46,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 62 HIS : no HE2:sc= -0.77 K(o=-0.77,f=-6.8!) USER MOD Single : A 63 CYS SG : rot -160:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.188 K(o=0.19,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 71 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.3!) USER MOD Single : A 72 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.46) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0.147 (180deg=0.0451) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.197) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0.923 (180deg=0.915) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc=-0.00569 (180deg=-0.113) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.410 -8.774 -4.193 1.00 0.00 N ATOM 2 CA ALA A 1 12.082 -8.033 -5.420 1.00 0.00 C ATOM 3 C ALA A 1 10.605 -7.683 -5.422 1.00 0.00 C ATOM 4 O ALA A 1 9.802 -8.436 -4.879 1.00 0.00 O ATOM 5 CB ALA A 1 12.388 -8.840 -6.678 1.00 0.00 C ATOM 0 H1 ALA A 1 12.935 -9.637 -4.439 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.994 -8.178 -3.573 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.532 -9.032 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 1 12.698 -7.134 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.130 -8.252 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.450 -9.085 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.803 -9.760 -6.671 1.00 0.00 H new ATOM 11 N LEU A 2 10.239 -6.575 -6.075 1.00 0.00 N ATOM 12 CA LEU A 2 8.865 -6.100 -6.186 1.00 0.00 C ATOM 13 C LEU A 2 7.974 -7.004 -7.046 1.00 0.00 C ATOM 14 O LEU A 2 7.723 -6.707 -8.217 1.00 0.00 O ATOM 15 CB LEU A 2 8.846 -4.647 -6.687 1.00 0.00 C ATOM 16 CG LEU A 2 9.449 -3.689 -5.645 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.884 -3.298 -5.975 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.606 -2.418 -5.490 1.00 0.00 C ATOM 0 H LEU A 2 10.910 -5.972 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 2 8.434 -6.137 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.407 -4.574 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.821 -4.349 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 2 9.449 -4.239 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.262 -2.621 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.506 -4.192 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.912 -2.800 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.064 -1.766 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.554 -1.897 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.600 -2.686 -5.168 1.00 0.00 H new ATOM 30 N THR A 3 7.488 -8.103 -6.480 1.00 0.00 N ATOM 31 CA THR A 3 6.600 -9.045 -7.151 1.00 0.00 C ATOM 32 C THR A 3 5.161 -8.540 -6.955 1.00 0.00 C ATOM 33 O THR A 3 4.849 -7.878 -5.962 1.00 0.00 O ATOM 34 CB THR A 3 6.835 -10.448 -6.563 1.00 0.00 C ATOM 35 OG1 THR A 3 8.160 -10.856 -6.851 1.00 0.00 O ATOM 36 CG2 THR A 3 5.884 -11.510 -7.117 1.00 0.00 C ATOM 0 H THR A 3 7.706 -8.370 -5.520 1.00 0.00 H new ATOM 0 HA THR A 3 6.792 -9.115 -8.222 1.00 0.00 H new ATOM 0 HB THR A 3 6.653 -10.368 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.316 -11.748 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.107 -12.473 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.855 -11.230 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.011 -11.584 -8.197 1.00 0.00 H new ATOM 44 N THR A 4 4.277 -8.791 -7.915 1.00 0.00 N ATOM 45 CA THR A 4 2.875 -8.387 -7.854 1.00 0.00 C ATOM 46 C THR A 4 2.093 -9.547 -7.237 1.00 0.00 C ATOM 47 O THR A 4 2.305 -10.692 -7.639 1.00 0.00 O ATOM 48 CB THR A 4 2.376 -8.003 -9.259 1.00 0.00 C ATOM 49 OG1 THR A 4 2.890 -8.867 -10.247 1.00 0.00 O ATOM 50 CG2 THR A 4 2.846 -6.596 -9.634 1.00 0.00 C ATOM 0 H THR A 4 4.518 -9.289 -8.772 1.00 0.00 H new ATOM 0 HA THR A 4 2.735 -7.502 -7.234 1.00 0.00 H new ATOM 0 HB THR A 4 1.288 -8.065 -9.222 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.552 -8.596 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.483 -6.344 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.455 -5.878 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.935 -6.562 -9.626 1.00 0.00 H new ATOM 58 N ILE A 5 1.189 -9.276 -6.288 1.00 0.00 N ATOM 59 CA ILE A 5 0.403 -10.328 -5.623 1.00 0.00 C ATOM 60 C ILE A 5 -1.113 -10.068 -5.588 1.00 0.00 C ATOM 61 O ILE A 5 -1.874 -10.959 -5.212 1.00 0.00 O ATOM 62 CB ILE A 5 0.981 -10.639 -4.224 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.501 -9.674 -3.118 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.515 -10.795 -4.211 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.762 -8.186 -3.359 1.00 0.00 C ATOM 0 H ILE A 5 0.981 -8.333 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 5 0.504 -11.218 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 5 0.563 -11.616 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.571 -9.816 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.982 -9.959 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.850 -11.012 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.803 -11.613 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.978 -9.870 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.382 -7.609 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.834 -8.016 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.257 -7.871 -4.272 1.00 0.00 H new ATOM 77 N SER A 6 -1.559 -8.885 -6.023 1.00 0.00 N ATOM 78 CA SER A 6 -2.954 -8.433 -6.069 1.00 0.00 C ATOM 79 C SER A 6 -3.548 -8.240 -4.655 1.00 0.00 C ATOM 80 O SER A 6 -2.963 -8.702 -3.677 1.00 0.00 O ATOM 81 CB SER A 6 -3.750 -9.372 -6.997 1.00 0.00 C ATOM 82 OG SER A 6 -3.259 -9.219 -8.314 1.00 0.00 O ATOM 0 H SER A 6 -0.917 -8.174 -6.374 1.00 0.00 H new ATOM 0 HA SER A 6 -3.017 -7.435 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.644 -10.407 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.813 -9.132 -6.958 1.00 0.00 H new ATOM 0 HG SER A 6 -3.754 -9.811 -8.918 1.00 0.00 H new ATOM 88 N PRO A 7 -4.705 -7.558 -4.497 1.00 0.00 N ATOM 89 CA PRO A 7 -5.305 -7.330 -3.179 1.00 0.00 C ATOM 90 C PRO A 7 -5.590 -8.617 -2.396 1.00 0.00 C ATOM 91 O PRO A 7 -5.464 -8.618 -1.176 1.00 0.00 O ATOM 92 CB PRO A 7 -6.594 -6.533 -3.433 1.00 0.00 C ATOM 93 CG PRO A 7 -6.923 -6.844 -4.889 1.00 0.00 C ATOM 94 CD PRO A 7 -5.539 -6.928 -5.516 1.00 0.00 C ATOM 0 HA PRO A 7 -4.603 -6.786 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.397 -6.844 -2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.444 -5.465 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.475 -7.778 -4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.531 -6.063 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.555 -7.517 -6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.163 -5.939 -5.779 1.00 0.00 H new ATOM 102 N HIS A 8 -5.941 -9.695 -3.097 1.00 0.00 N ATOM 103 CA HIS A 8 -6.264 -10.996 -2.537 1.00 0.00 C ATOM 104 C HIS A 8 -5.136 -11.540 -1.660 1.00 0.00 C ATOM 105 O HIS A 8 -5.308 -11.707 -0.450 1.00 0.00 O ATOM 106 CB HIS A 8 -6.620 -11.921 -3.710 1.00 0.00 C ATOM 107 CG HIS A 8 -7.156 -13.275 -3.328 1.00 0.00 C ATOM 108 ND1 HIS A 8 -6.480 -14.277 -2.668 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.384 -13.768 -3.672 1.00 0.00 C ATOM 110 CE1 HIS A 8 -7.268 -15.359 -2.650 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.435 -15.106 -3.267 1.00 0.00 N ATOM 0 H HIS A 8 -6.009 -9.679 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.117 -10.923 -1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.360 -11.419 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.729 -12.062 -4.322 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.173 -13.222 -4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.003 -16.305 -2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.205 -15.760 -3.411 1.00 0.00 H new ATOM 119 N ASP A 9 -3.983 -11.819 -2.271 1.00 0.00 N ATOM 120 CA ASP A 9 -2.832 -12.354 -1.549 1.00 0.00 C ATOM 121 C ASP A 9 -2.308 -11.317 -0.565 1.00 0.00 C ATOM 122 O ASP A 9 -1.927 -11.669 0.544 1.00 0.00 O ATOM 123 CB ASP A 9 -1.697 -12.720 -2.516 1.00 0.00 C ATOM 124 CG ASP A 9 -0.797 -13.869 -2.045 1.00 0.00 C ATOM 125 OD1 ASP A 9 0.304 -13.997 -2.633 1.00 0.00 O ATOM 126 OD2 ASP A 9 -1.178 -14.684 -1.175 1.00 0.00 O ATOM 0 H ASP A 9 -3.823 -11.682 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.159 -13.249 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.131 -12.989 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.079 -11.837 -2.680 1.00 0.00 H new ATOM 131 N ALA A 10 -2.315 -10.032 -0.953 1.00 0.00 N ATOM 132 CA ALA A 10 -1.832 -8.939 -0.123 1.00 0.00 C ATOM 133 C ALA A 10 -2.494 -8.960 1.246 1.00 0.00 C ATOM 134 O ALA A 10 -1.788 -8.868 2.248 1.00 0.00 O ATOM 135 CB ALA A 10 -2.081 -7.593 -0.801 1.00 0.00 C ATOM 0 H ALA A 10 -2.662 -9.729 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.758 -9.073 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.712 -6.790 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.559 -7.565 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.150 -7.462 -0.967 1.00 0.00 H new ATOM 141 N GLN A 11 -3.826 -9.072 1.292 1.00 0.00 N ATOM 142 CA GLN A 11 -4.572 -9.113 2.533 1.00 0.00 C ATOM 143 C GLN A 11 -4.060 -10.242 3.406 1.00 0.00 C ATOM 144 O GLN A 11 -3.786 -10.026 4.582 1.00 0.00 O ATOM 145 CB GLN A 11 -6.057 -9.249 2.216 1.00 0.00 C ATOM 146 CG GLN A 11 -6.906 -8.653 3.343 1.00 0.00 C ATOM 147 CD GLN A 11 -7.394 -9.657 4.389 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.984 -10.813 4.456 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.354 -9.264 5.205 1.00 0.00 N ATOM 0 H GLN A 11 -4.411 -9.136 0.459 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.433 -8.189 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.282 -8.743 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.310 -10.300 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.323 -7.882 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.773 -8.161 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.703 -8.307 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.747 -9.918 5.882 1.00 0.00 H new ATOM 158 N GLU A 12 -3.897 -11.425 2.820 1.00 0.00 N ATOM 159 CA GLU A 12 -3.396 -12.577 3.541 1.00 0.00 C ATOM 160 C GLU A 12 -1.970 -12.326 4.023 1.00 0.00 C ATOM 161 O GLU A 12 -1.630 -12.754 5.118 1.00 0.00 O ATOM 162 CB GLU A 12 -3.480 -13.834 2.674 1.00 0.00 C ATOM 163 CG GLU A 12 -3.593 -15.060 3.586 1.00 0.00 C ATOM 164 CD GLU A 12 -3.609 -16.376 2.817 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.538 -16.824 2.353 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.695 -16.997 2.726 1.00 0.00 O ATOM 0 H GLU A 12 -4.109 -11.605 1.839 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.022 -12.739 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.343 -13.777 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.596 -13.915 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.756 -15.064 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.504 -14.981 4.180 1.00 0.00 H new ATOM 173 N LEU A 13 -1.124 -11.624 3.262 1.00 0.00 N ATOM 174 CA LEU A 13 0.242 -11.355 3.694 1.00 0.00 C ATOM 175 C LEU A 13 0.160 -10.511 4.957 1.00 0.00 C ATOM 176 O LEU A 13 0.828 -10.806 5.945 1.00 0.00 O ATOM 177 CB LEU A 13 1.077 -10.633 2.617 1.00 0.00 C ATOM 178 CG LEU A 13 1.398 -11.423 1.335 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.259 -10.565 0.401 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.129 -12.729 1.634 1.00 0.00 C ATOM 0 H LEU A 13 -1.364 -11.236 2.350 1.00 0.00 H new ATOM 0 HA LEU A 13 0.750 -12.302 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.548 -9.724 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.019 -10.324 3.070 1.00 0.00 H new ATOM 0 HG LEU A 13 0.450 -11.670 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.484 -11.127 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.717 -9.656 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.189 -10.300 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.335 -13.253 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.068 -12.512 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.507 -13.356 2.272 1.00 0.00 H new ATOM 192 N ILE A 14 -0.663 -9.460 4.940 1.00 0.00 N ATOM 193 CA ILE A 14 -0.833 -8.568 6.079 1.00 0.00 C ATOM 194 C ILE A 14 -1.419 -9.355 7.251 1.00 0.00 C ATOM 195 O ILE A 14 -0.932 -9.225 8.377 1.00 0.00 O ATOM 196 CB ILE A 14 -1.657 -7.326 5.694 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.035 -6.545 4.511 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.726 -6.386 6.902 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.121 -6.028 3.564 1.00 0.00 C ATOM 0 H ILE A 14 -1.230 -9.207 4.131 1.00 0.00 H new ATOM 0 HA ILE A 14 0.135 -8.181 6.399 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.645 -7.671 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.450 -5.708 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.348 -7.192 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.308 -5.502 6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.202 -6.901 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.718 -6.086 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.657 -5.483 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.689 -6.870 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.791 -5.363 4.108 1.00 0.00 H new ATOM 211 N ALA A 15 -2.411 -10.212 7.006 1.00 0.00 N ATOM 212 CA ALA A 15 -3.034 -11.030 8.034 1.00 0.00 C ATOM 213 C ALA A 15 -1.974 -11.936 8.675 1.00 0.00 C ATOM 214 O ALA A 15 -1.937 -12.095 9.897 1.00 0.00 O ATOM 215 CB ALA A 15 -4.176 -11.853 7.433 1.00 0.00 C ATOM 0 H ALA A 15 -2.805 -10.355 6.076 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.457 -10.389 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.635 -12.462 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.923 -11.183 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.784 -12.502 6.650 1.00 0.00 H new ATOM 221 N ARG A 16 -1.054 -12.480 7.879 1.00 0.00 N ATOM 222 CA ARG A 16 0.022 -13.340 8.358 1.00 0.00 C ATOM 223 C ARG A 16 1.091 -12.532 9.098 1.00 0.00 C ATOM 224 O ARG A 16 1.820 -13.117 9.897 1.00 0.00 O ATOM 225 CB ARG A 16 0.614 -14.121 7.180 1.00 0.00 C ATOM 226 CG ARG A 16 -0.383 -15.139 6.594 1.00 0.00 C ATOM 227 CD ARG A 16 0.152 -15.595 5.241 1.00 0.00 C ATOM 228 NE ARG A 16 -0.668 -16.618 4.583 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.577 -17.939 4.730 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.173 -18.479 5.687 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.248 -18.708 3.886 1.00 0.00 N ATOM 0 H ARG A 16 -1.037 -12.332 6.870 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.384 -14.052 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.918 -13.423 6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.513 -14.643 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.498 -15.990 7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.368 -14.687 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.229 -14.729 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.161 -15.985 5.375 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.387 -16.281 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.693 -17.879 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.228 -19.493 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.814 -18.285 3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.199 -19.723 3.972 1.00 0.00 H new ATOM 245 N GLY A 17 1.213 -11.221 8.864 1.00 0.00 N ATOM 246 CA GLY A 17 2.179 -10.356 9.536 1.00 0.00 C ATOM 247 C GLY A 17 2.791 -9.220 8.715 1.00 0.00 C ATOM 248 O GLY A 17 3.600 -8.471 9.270 1.00 0.00 O ATOM 0 H GLY A 17 0.631 -10.726 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.692 -9.918 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.992 -10.981 9.906 1.00 0.00 H new ATOM 252 N ALA A 18 2.465 -9.070 7.431 1.00 0.00 N ATOM 253 CA ALA A 18 3.001 -8.014 6.568 1.00 0.00 C ATOM 254 C ALA A 18 2.395 -6.635 6.893 1.00 0.00 C ATOM 255 O ALA A 18 1.646 -6.481 7.861 1.00 0.00 O ATOM 256 CB ALA A 18 2.793 -8.410 5.096 1.00 0.00 C ATOM 0 H ALA A 18 1.810 -9.689 6.952 1.00 0.00 H new ATOM 0 HA ALA A 18 4.070 -7.915 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.190 -7.628 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.313 -9.346 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.728 -8.537 4.900 1.00 0.00 H new ATOM 262 N LYS A 19 2.712 -5.609 6.092 1.00 0.00 N ATOM 263 CA LYS A 19 2.209 -4.234 6.242 1.00 0.00 C ATOM 264 C LYS A 19 1.768 -3.718 4.875 1.00 0.00 C ATOM 265 O LYS A 19 2.292 -4.159 3.857 1.00 0.00 O ATOM 266 CB LYS A 19 3.294 -3.315 6.846 1.00 0.00 C ATOM 267 CG LYS A 19 2.933 -2.672 8.191 1.00 0.00 C ATOM 268 CD LYS A 19 1.744 -1.705 8.078 1.00 0.00 C ATOM 269 CE LYS A 19 1.348 -1.045 9.407 1.00 0.00 C ATOM 270 NZ LYS A 19 1.115 -2.031 10.484 1.00 0.00 N ATOM 0 H LYS A 19 3.344 -5.714 5.298 1.00 0.00 H new ATOM 0 HA LYS A 19 1.359 -4.233 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.208 -3.895 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.515 -2.523 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.695 -3.454 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.799 -2.135 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.990 -0.926 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.885 -2.247 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.134 -0.355 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.445 -0.453 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.737 -1.546 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.432 -2.745 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.012 -2.497 10.728 1.00 0.00 H new ATOM 284 N LEU A 20 0.865 -2.741 4.840 1.00 0.00 N ATOM 285 CA LEU A 20 0.344 -2.158 3.601 1.00 0.00 C ATOM 286 C LEU A 20 0.624 -0.667 3.611 1.00 0.00 C ATOM 287 O LEU A 20 0.156 0.047 4.503 1.00 0.00 O ATOM 288 CB LEU A 20 -1.151 -2.463 3.485 1.00 0.00 C ATOM 289 CG LEU A 20 -1.791 -2.209 2.107 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.078 -2.901 0.940 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.243 -2.699 2.148 1.00 0.00 C ATOM 0 H LEU A 20 0.468 -2.325 5.682 1.00 0.00 H new ATOM 0 HA LEU A 20 0.834 -2.591 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.309 -3.509 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.682 -1.864 4.225 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.715 -1.137 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.595 -2.669 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.048 -2.548 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.083 -3.979 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.713 -2.527 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.261 -3.765 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.789 -2.154 2.918 1.00 0.00 H new ATOM 303 N ILE A 21 1.402 -0.190 2.645 1.00 0.00 N ATOM 304 CA ILE A 21 1.784 1.206 2.534 1.00 0.00 C ATOM 305 C ILE A 21 1.062 1.836 1.340 1.00 0.00 C ATOM 306 O ILE A 21 1.074 1.329 0.213 1.00 0.00 O ATOM 307 CB ILE A 21 3.328 1.309 2.492 1.00 0.00 C ATOM 308 CG1 ILE A 21 3.989 1.236 3.888 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.781 2.628 1.844 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.594 0.038 4.760 1.00 0.00 C ATOM 0 H ILE A 21 1.790 -0.776 1.906 1.00 0.00 H new ATOM 0 HA ILE A 21 1.471 1.782 3.405 1.00 0.00 H new ATOM 0 HB ILE A 21 3.647 0.448 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.071 1.222 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.747 2.150 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.870 2.671 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.402 2.681 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.393 3.468 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.119 0.093 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.519 0.055 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.863 -0.887 4.251 1.00 0.00 H new ATOM 322 N ASP A 22 0.366 2.933 1.629 1.00 0.00 N ATOM 323 CA ASP A 22 -0.378 3.736 0.673 1.00 0.00 C ATOM 324 C ASP A 22 0.584 4.796 0.159 1.00 0.00 C ATOM 325 O ASP A 22 0.977 5.671 0.936 1.00 0.00 O ATOM 326 CB ASP A 22 -1.578 4.402 1.340 1.00 0.00 C ATOM 327 CG ASP A 22 -2.314 5.222 0.292 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.220 4.657 -0.357 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.952 6.404 0.094 1.00 0.00 O ATOM 0 H ASP A 22 0.305 3.299 2.579 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.761 3.115 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.241 3.649 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.250 5.041 2.160 1.00 0.00 H new ATOM 334 N ILE A 23 0.958 4.720 -1.121 1.00 0.00 N ATOM 335 CA ILE A 23 1.887 5.656 -1.755 1.00 0.00 C ATOM 336 C ILE A 23 1.155 6.768 -2.547 1.00 0.00 C ATOM 337 O ILE A 23 1.756 7.352 -3.453 1.00 0.00 O ATOM 338 CB ILE A 23 2.983 4.876 -2.546 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.453 4.198 -3.825 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.676 3.818 -1.664 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.497 3.501 -4.708 1.00 0.00 C ATOM 0 H ILE A 23 0.618 3.996 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 23 2.421 6.212 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 23 3.706 5.634 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.703 3.462 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.945 4.952 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.433 3.295 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.150 4.307 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.936 3.102 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.005 3.062 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.237 4.229 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.991 2.716 -4.136 1.00 0.00 H new ATOM 353 N ARG A 24 -0.146 7.008 -2.296 1.00 0.00 N ATOM 354 CA ARG A 24 -0.957 8.035 -2.966 1.00 0.00 C ATOM 355 C ARG A 24 -0.532 9.449 -2.523 1.00 0.00 C ATOM 356 O ARG A 24 0.498 9.962 -2.970 1.00 0.00 O ATOM 357 CB ARG A 24 -2.476 7.798 -2.752 1.00 0.00 C ATOM 358 CG ARG A 24 -2.981 6.440 -3.248 1.00 0.00 C ATOM 359 CD ARG A 24 -4.513 6.329 -3.174 1.00 0.00 C ATOM 360 NE ARG A 24 -5.041 6.206 -1.799 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.310 6.424 -1.414 1.00 0.00 C ATOM 362 NH1 ARG A 24 -7.157 7.051 -2.224 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.746 6.035 -0.222 1.00 0.00 N ATOM 0 H ARG A 24 -0.673 6.477 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.773 7.955 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.699 7.889 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.030 8.586 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.656 6.287 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.531 5.647 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.954 7.208 -3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.833 5.463 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.380 5.929 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.845 7.369 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.119 7.214 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.114 5.560 0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.713 6.211 0.050 1.00 0.00 H new ATOM 377 N ASP A 25 -1.340 10.104 -1.692 1.00 0.00 N ATOM 378 CA ASP A 25 -1.158 11.441 -1.148 1.00 0.00 C ATOM 379 C ASP A 25 -1.722 11.392 0.266 1.00 0.00 C ATOM 380 O ASP A 25 -2.736 10.725 0.493 1.00 0.00 O ATOM 381 CB ASP A 25 -1.957 12.472 -1.971 1.00 0.00 C ATOM 382 CG ASP A 25 -1.123 13.144 -3.061 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.609 14.261 -2.817 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.025 12.604 -4.184 1.00 0.00 O ATOM 0 H ASP A 25 -2.204 9.678 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.108 11.734 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.813 11.977 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.352 13.236 -1.301 1.00 0.00 H new ATOM 389 N ALA A 26 -1.128 12.146 1.194 1.00 0.00 N ATOM 390 CA ALA A 26 -1.547 12.208 2.593 1.00 0.00 C ATOM 391 C ALA A 26 -2.998 12.673 2.771 1.00 0.00 C ATOM 392 O ALA A 26 -3.645 12.326 3.757 1.00 0.00 O ATOM 393 CB ALA A 26 -0.584 13.141 3.333 1.00 0.00 C ATOM 0 H ALA A 26 -0.326 12.742 0.988 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.512 11.200 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.874 13.206 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.430 12.749 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.622 14.134 2.884 1.00 0.00 H new ATOM 399 N ASP A 27 -3.517 13.443 1.817 1.00 0.00 N ATOM 400 CA ASP A 27 -4.878 13.974 1.831 1.00 0.00 C ATOM 401 C ASP A 27 -5.930 12.907 1.532 1.00 0.00 C ATOM 402 O ASP A 27 -7.103 13.139 1.816 1.00 0.00 O ATOM 403 CB ASP A 27 -4.995 15.098 0.797 1.00 0.00 C ATOM 404 CG ASP A 27 -4.604 16.464 1.349 1.00 0.00 C ATOM 405 OD1 ASP A 27 -5.451 17.382 1.306 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.441 16.642 1.780 1.00 0.00 O ATOM 0 H ASP A 27 -2.988 13.722 0.991 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.068 14.349 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.361 14.864 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.021 15.141 0.431 1.00 0.00 H new ATOM 411 N GLU A 28 -5.572 11.768 0.929 1.00 0.00 N ATOM 412 CA GLU A 28 -6.570 10.737 0.634 1.00 0.00 C ATOM 413 C GLU A 28 -6.832 9.848 1.845 1.00 0.00 C ATOM 414 O GLU A 28 -7.936 9.324 1.982 1.00 0.00 O ATOM 415 CB GLU A 28 -6.192 9.921 -0.599 1.00 0.00 C ATOM 416 CG GLU A 28 -6.146 10.806 -1.854 1.00 0.00 C ATOM 417 CD GLU A 28 -6.807 10.129 -3.050 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.962 10.468 -3.394 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.182 9.223 -3.648 1.00 0.00 O ATOM 0 H GLU A 28 -4.620 11.540 0.641 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.505 11.248 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.220 9.452 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.914 9.118 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.647 11.752 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.109 11.040 -2.096 1.00 0.00 H new ATOM 426 N TYR A 29 -5.860 9.738 2.755 1.00 0.00 N ATOM 427 CA TYR A 29 -5.982 8.949 3.977 1.00 0.00 C ATOM 428 C TYR A 29 -7.126 9.514 4.841 1.00 0.00 C ATOM 429 O TYR A 29 -7.747 8.788 5.612 1.00 0.00 O ATOM 430 CB TYR A 29 -4.615 8.961 4.681 1.00 0.00 C ATOM 431 CG TYR A 29 -4.568 8.580 6.150 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.356 9.572 7.127 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.629 7.231 6.537 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.224 9.226 8.482 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.484 6.874 7.888 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.301 7.869 8.868 1.00 0.00 C ATOM 437 OH TYR A 29 -4.224 7.502 10.177 1.00 0.00 O ATOM 0 H TYR A 29 -4.956 10.201 2.659 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.243 7.911 3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.954 8.285 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.197 9.963 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.294 10.609 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.788 6.465 5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.064 9.993 9.225 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.513 5.834 8.176 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.297 6.527 10.248 1.00 0.00 H new ATOM 447 N LEU A 30 -7.415 10.814 4.692 1.00 0.00 N ATOM 448 CA LEU A 30 -8.471 11.536 5.395 1.00 0.00 C ATOM 449 C LEU A 30 -9.853 11.180 4.829 1.00 0.00 C ATOM 450 O LEU A 30 -10.857 11.330 5.532 1.00 0.00 O ATOM 451 CB LEU A 30 -8.249 13.056 5.216 1.00 0.00 C ATOM 452 CG LEU A 30 -7.383 13.741 6.288 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.994 13.115 6.431 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.213 15.222 5.916 1.00 0.00 C ATOM 0 H LEU A 30 -6.894 11.412 4.050 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.435 11.257 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.788 13.224 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.223 13.546 5.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.897 13.617 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.434 13.644 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.095 12.066 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.462 13.189 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.601 15.718 6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.726 15.299 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.191 15.700 5.871 1.00 0.00 H new ATOM 466 N ARG A 31 -9.930 10.784 3.552 1.00 0.00 N ATOM 467 CA ARG A 31 -11.173 10.431 2.870 1.00 0.00 C ATOM 468 C ARG A 31 -11.595 9.027 3.268 1.00 0.00 C ATOM 469 O ARG A 31 -12.540 8.853 4.043 1.00 0.00 O ATOM 470 CB ARG A 31 -11.033 10.612 1.346 1.00 0.00 C ATOM 471 CG ARG A 31 -10.895 12.107 1.027 1.00 0.00 C ATOM 472 CD ARG A 31 -11.074 12.435 -0.453 1.00 0.00 C ATOM 473 NE ARG A 31 -11.330 13.875 -0.626 1.00 0.00 N ATOM 474 CZ ARG A 31 -12.290 14.476 -1.341 1.00 0.00 C ATOM 475 NH1 ARG A 31 -13.049 13.811 -2.206 1.00 0.00 N ATOM 476 NH2 ARG A 31 -12.500 15.775 -1.161 1.00 0.00 N ATOM 0 H ARG A 31 -9.108 10.700 2.954 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.968 11.108 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.162 10.068 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.903 10.198 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.633 12.663 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.912 12.450 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.181 12.148 -1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.903 11.859 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.690 14.499 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.910 12.810 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.771 14.302 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.935 16.295 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.226 16.253 -1.695 1.00 0.00 H new ATOM 490 N GLU A 32 -10.897 8.022 2.760 1.00 0.00 N ATOM 491 CA GLU A 32 -11.173 6.621 3.019 1.00 0.00 C ATOM 492 C GLU A 32 -9.921 5.831 2.654 1.00 0.00 C ATOM 493 O GLU A 32 -9.378 5.983 1.554 1.00 0.00 O ATOM 494 CB GLU A 32 -12.433 6.146 2.266 1.00 0.00 C ATOM 495 CG GLU A 32 -12.815 6.772 0.911 1.00 0.00 C ATOM 496 CD GLU A 32 -14.228 7.389 0.974 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.369 8.607 1.232 1.00 0.00 O ATOM 498 OE2 GLU A 32 -15.233 6.643 0.868 1.00 0.00 O ATOM 0 H GLU A 32 -10.101 8.165 2.139 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.399 6.459 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.327 5.073 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.281 6.287 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.089 7.540 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.779 6.012 0.131 1.00 0.00 H new ATOM 505 N HIS A 33 -9.446 5.017 3.597 1.00 0.00 N ATOM 506 CA HIS A 33 -8.264 4.189 3.470 1.00 0.00 C ATOM 507 C HIS A 33 -8.538 2.762 3.994 1.00 0.00 C ATOM 508 O HIS A 33 -9.691 2.432 4.306 1.00 0.00 O ATOM 509 CB HIS A 33 -7.109 4.946 4.144 1.00 0.00 C ATOM 510 CG HIS A 33 -6.832 4.606 5.584 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.803 3.802 6.007 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.497 5.055 6.693 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.860 3.726 7.342 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.881 4.474 7.813 1.00 0.00 N ATOM 0 H HIS A 33 -9.899 4.918 4.505 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.974 4.021 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.201 4.764 3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.318 6.014 4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.339 5.731 6.704 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.185 3.148 7.956 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.151 4.593 8.789 1.00 0.00 H new ATOM 522 N ILE A 34 -7.524 1.896 4.072 1.00 0.00 N ATOM 523 CA ILE A 34 -7.664 0.503 4.522 1.00 0.00 C ATOM 524 C ILE A 34 -7.235 0.350 5.992 1.00 0.00 C ATOM 525 O ILE A 34 -6.247 0.956 6.396 1.00 0.00 O ATOM 526 CB ILE A 34 -6.869 -0.372 3.532 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.620 -0.348 2.181 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.682 -1.829 3.991 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.700 -0.644 1.007 1.00 0.00 C ATOM 0 H ILE A 34 -6.567 2.144 3.821 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.704 0.175 4.514 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.864 0.043 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.426 -1.081 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.082 0.629 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.113 -2.377 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.143 -1.846 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.658 -2.298 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.273 -0.616 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.908 0.104 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.259 -1.633 1.131 1.00 0.00 H new ATOM 541 N PRO A 35 -7.909 -0.494 6.801 1.00 0.00 N ATOM 542 CA PRO A 35 -7.581 -0.666 8.218 1.00 0.00 C ATOM 543 C PRO A 35 -6.210 -1.302 8.425 1.00 0.00 C ATOM 544 O PRO A 35 -5.451 -0.900 9.305 1.00 0.00 O ATOM 545 CB PRO A 35 -8.712 -1.524 8.806 1.00 0.00 C ATOM 546 CG PRO A 35 -9.270 -2.285 7.602 1.00 0.00 C ATOM 547 CD PRO A 35 -9.075 -1.295 6.461 1.00 0.00 C ATOM 0 HA PRO A 35 -7.512 0.298 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.339 -2.206 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.477 -0.906 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.732 -3.216 7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.320 -2.545 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.924 -1.817 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.956 -0.665 6.340 1.00 0.00 H new ATOM 555 N GLU A 36 -5.884 -2.286 7.594 1.00 0.00 N ATOM 556 CA GLU A 36 -4.631 -3.017 7.638 1.00 0.00 C ATOM 557 C GLU A 36 -3.435 -2.212 7.102 1.00 0.00 C ATOM 558 O GLU A 36 -2.295 -2.684 7.189 1.00 0.00 O ATOM 559 CB GLU A 36 -4.848 -4.343 6.898 1.00 0.00 C ATOM 560 CG GLU A 36 -5.751 -5.265 7.729 1.00 0.00 C ATOM 561 CD GLU A 36 -5.614 -6.734 7.335 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.072 -7.103 6.236 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.151 -7.537 8.179 1.00 0.00 O ATOM 0 H GLU A 36 -6.506 -2.603 6.850 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.357 -3.213 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.302 -4.156 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.889 -4.828 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.506 -5.152 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.789 -4.956 7.608 1.00 0.00 H new ATOM 570 N ALA A 37 -3.664 -1.013 6.563 1.00 0.00 N ATOM 571 CA ALA A 37 -2.633 -0.136 6.032 1.00 0.00 C ATOM 572 C ALA A 37 -2.364 1.019 6.986 1.00 0.00 C ATOM 573 O ALA A 37 -2.981 1.119 8.051 1.00 0.00 O ATOM 574 CB ALA A 37 -3.103 0.416 4.682 1.00 0.00 C ATOM 0 H ALA A 37 -4.602 -0.619 6.484 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.710 -0.703 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.338 1.076 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.277 -0.410 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.029 0.975 4.820 1.00 0.00 H new ATOM 580 N ASP A 38 -1.411 1.877 6.615 1.00 0.00 N ATOM 581 CA ASP A 38 -1.075 3.055 7.412 1.00 0.00 C ATOM 582 C ASP A 38 -1.211 4.271 6.498 1.00 0.00 C ATOM 583 O ASP A 38 -2.333 4.665 6.195 1.00 0.00 O ATOM 584 CB ASP A 38 0.287 2.888 8.081 1.00 0.00 C ATOM 585 CG ASP A 38 0.550 3.973 9.130 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.667 3.603 10.319 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.748 5.154 8.772 1.00 0.00 O ATOM 0 H ASP A 38 -0.858 1.776 5.764 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.756 3.197 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.341 1.907 8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.069 2.920 7.323 1.00 0.00 H new ATOM 592 N LEU A 39 -0.101 4.801 5.984 1.00 0.00 N ATOM 593 CA LEU A 39 0.047 5.950 5.091 1.00 0.00 C ATOM 594 C LEU A 39 1.543 6.247 4.993 1.00 0.00 C ATOM 595 O LEU A 39 2.242 6.146 6.002 1.00 0.00 O ATOM 596 CB LEU A 39 -0.670 7.201 5.655 1.00 0.00 C ATOM 597 CG LEU A 39 -0.321 8.515 4.928 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.780 8.487 3.469 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.959 9.706 5.631 1.00 0.00 C ATOM 0 H LEU A 39 0.808 4.395 6.205 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.394 5.719 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.747 7.044 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.417 7.305 6.710 1.00 0.00 H new ATOM 0 HG LEU A 39 0.764 8.617 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.518 9.429 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.289 7.664 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.860 8.348 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.700 10.623 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.042 9.586 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.592 9.763 6.656 1.00 0.00 H new ATOM 611 N ALA A 40 2.033 6.611 3.808 1.00 0.00 N ATOM 612 CA ALA A 40 3.424 6.960 3.522 1.00 0.00 C ATOM 613 C ALA A 40 3.482 7.378 2.040 1.00 0.00 C ATOM 614 O ALA A 40 3.785 6.533 1.197 1.00 0.00 O ATOM 615 CB ALA A 40 4.359 5.788 3.868 1.00 0.00 C ATOM 0 H ALA A 40 1.440 6.673 2.980 1.00 0.00 H new ATOM 0 HA ALA A 40 3.772 7.789 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.389 6.067 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.266 5.549 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.085 4.916 3.274 1.00 0.00 H new ATOM 621 N PRO A 41 3.159 8.642 1.701 1.00 0.00 N ATOM 622 CA PRO A 41 3.157 9.108 0.319 1.00 0.00 C ATOM 623 C PRO A 41 4.560 9.163 -0.272 1.00 0.00 C ATOM 624 O PRO A 41 5.533 9.479 0.422 1.00 0.00 O ATOM 625 CB PRO A 41 2.508 10.493 0.340 1.00 0.00 C ATOM 626 CG PRO A 41 2.782 10.993 1.753 1.00 0.00 C ATOM 627 CD PRO A 41 2.794 9.726 2.604 1.00 0.00 C ATOM 0 HA PRO A 41 2.604 8.417 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.944 11.152 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.439 10.439 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.734 11.520 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.011 11.689 2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.510 9.811 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.817 9.548 3.053 1.00 0.00 H new ATOM 635 N LEU A 42 4.653 8.932 -1.586 1.00 0.00 N ATOM 636 CA LEU A 42 5.926 8.944 -2.302 1.00 0.00 C ATOM 637 C LEU A 42 6.642 10.287 -2.115 1.00 0.00 C ATOM 638 O LEU A 42 7.859 10.321 -1.946 1.00 0.00 O ATOM 639 CB LEU A 42 5.723 8.653 -3.800 1.00 0.00 C ATOM 640 CG LEU A 42 6.741 7.710 -4.480 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.095 7.546 -3.787 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.147 6.310 -4.655 1.00 0.00 C ATOM 0 H LEU A 42 3.848 8.732 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 42 6.550 8.155 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.728 8.226 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.734 9.603 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 42 6.938 8.211 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.717 6.861 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.589 8.515 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.945 7.145 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.879 5.661 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.885 5.901 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.253 6.369 -5.275 1.00 0.00 H new ATOM 654 N SER A 43 5.879 11.382 -2.074 1.00 0.00 N ATOM 655 CA SER A 43 6.377 12.742 -1.897 1.00 0.00 C ATOM 656 C SER A 43 7.201 12.926 -0.614 1.00 0.00 C ATOM 657 O SER A 43 8.023 13.842 -0.552 1.00 0.00 O ATOM 658 CB SER A 43 5.182 13.706 -1.929 1.00 0.00 C ATOM 659 OG SER A 43 4.396 13.434 -3.080 1.00 0.00 O ATOM 0 H SER A 43 4.864 11.341 -2.167 1.00 0.00 H new ATOM 0 HA SER A 43 7.064 12.960 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.581 13.590 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.532 14.738 -1.948 1.00 0.00 H new ATOM 0 HG SER A 43 3.630 14.045 -3.105 1.00 0.00 H new ATOM 665 N VAL A 44 6.991 12.093 0.410 1.00 0.00 N ATOM 666 CA VAL A 44 7.734 12.163 1.666 1.00 0.00 C ATOM 667 C VAL A 44 8.845 11.109 1.610 1.00 0.00 C ATOM 668 O VAL A 44 9.974 11.357 2.032 1.00 0.00 O ATOM 669 CB VAL A 44 6.774 11.945 2.856 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.529 11.906 4.192 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.720 13.060 2.945 1.00 0.00 C ATOM 0 H VAL A 44 6.295 11.347 0.388 1.00 0.00 H new ATOM 0 HA VAL A 44 8.187 13.144 1.807 1.00 0.00 H new ATOM 0 HB VAL A 44 6.287 10.987 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.821 11.751 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.250 11.089 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.053 12.850 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.063 12.872 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.217 14.021 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.131 13.078 2.028 1.00 0.00 H new ATOM 681 N LEU A 45 8.552 9.939 1.044 1.00 0.00 N ATOM 682 CA LEU A 45 9.467 8.818 0.913 1.00 0.00 C ATOM 683 C LEU A 45 10.714 9.133 0.098 1.00 0.00 C ATOM 684 O LEU A 45 11.818 8.931 0.589 1.00 0.00 O ATOM 685 CB LEU A 45 8.712 7.670 0.266 1.00 0.00 C ATOM 686 CG LEU A 45 7.683 7.019 1.208 1.00 0.00 C ATOM 687 CD1 LEU A 45 6.952 5.967 0.396 1.00 0.00 C ATOM 688 CD2 LEU A 45 8.318 6.366 2.435 1.00 0.00 C ATOM 0 H LEU A 45 7.632 9.744 0.650 1.00 0.00 H new ATOM 0 HA LEU A 45 9.820 8.563 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.201 8.035 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.425 6.914 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 45 7.016 7.792 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.208 5.475 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.456 6.441 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.665 5.228 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.539 5.926 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.010 5.587 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.859 7.119 3.009 1.00 0.00 H new ATOM 700 N GLU A 46 10.575 9.625 -1.129 1.00 0.00 N ATOM 701 CA GLU A 46 11.722 9.964 -1.977 1.00 0.00 C ATOM 702 C GLU A 46 12.666 11.005 -1.349 1.00 0.00 C ATOM 703 O GLU A 46 13.819 11.142 -1.762 1.00 0.00 O ATOM 704 CB GLU A 46 11.198 10.450 -3.322 1.00 0.00 C ATOM 705 CG GLU A 46 10.984 9.254 -4.259 1.00 0.00 C ATOM 706 CD GLU A 46 12.207 8.927 -5.121 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.271 8.550 -4.574 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.121 8.982 -6.370 1.00 0.00 O ATOM 0 H GLU A 46 9.670 9.801 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 46 12.326 9.065 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.260 10.988 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.905 11.150 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.724 8.378 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.135 9.460 -4.910 1.00 0.00 H new ATOM 715 N GLN A 47 12.163 11.741 -0.360 1.00 0.00 N ATOM 716 CA GLN A 47 12.880 12.758 0.388 1.00 0.00 C ATOM 717 C GLN A 47 13.516 12.178 1.666 1.00 0.00 C ATOM 718 O GLN A 47 14.742 12.217 1.810 1.00 0.00 O ATOM 719 CB GLN A 47 11.939 13.922 0.758 1.00 0.00 C ATOM 720 CG GLN A 47 11.510 14.766 -0.453 1.00 0.00 C ATOM 721 CD GLN A 47 10.892 16.098 -0.019 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.526 16.900 0.671 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.666 16.394 -0.412 1.00 0.00 N ATOM 0 H GLN A 47 11.198 11.635 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 47 13.679 13.130 -0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.050 13.521 1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.437 14.566 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.374 14.955 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.790 14.207 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.140 15.732 -0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.246 17.284 -0.145 1.00 0.00 H new ATOM 732 N SER A 48 12.703 11.639 2.581 1.00 0.00 N ATOM 733 CA SER A 48 13.123 11.098 3.872 1.00 0.00 C ATOM 734 C SER A 48 13.230 9.574 4.010 1.00 0.00 C ATOM 735 O SER A 48 14.018 9.088 4.825 1.00 0.00 O ATOM 736 CB SER A 48 12.107 11.598 4.906 1.00 0.00 C ATOM 737 OG SER A 48 12.702 11.693 6.186 1.00 0.00 O ATOM 0 H SER A 48 11.696 11.566 2.434 1.00 0.00 H new ATOM 0 HA SER A 48 14.147 11.444 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.723 12.573 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.256 10.919 4.945 1.00 0.00 H new ATOM 0 HG SER A 48 12.039 12.015 6.832 1.00 0.00 H new ATOM 743 N GLY A 49 12.440 8.802 3.274 1.00 0.00 N ATOM 744 CA GLY A 49 12.432 7.340 3.322 1.00 0.00 C ATOM 745 C GLY A 49 11.321 6.830 4.244 1.00 0.00 C ATOM 746 O GLY A 49 10.664 7.610 4.933 1.00 0.00 O ATOM 0 H GLY A 49 11.768 9.183 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.289 6.940 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.398 6.978 3.675 1.00 0.00 H new ATOM 750 N LEU A 50 11.095 5.517 4.272 1.00 0.00 N ATOM 751 CA LEU A 50 10.055 4.874 5.084 1.00 0.00 C ATOM 752 C LEU A 50 10.297 5.079 6.590 1.00 0.00 C ATOM 753 O LEU A 50 11.454 5.029 7.016 1.00 0.00 O ATOM 754 CB LEU A 50 10.058 3.382 4.714 1.00 0.00 C ATOM 755 CG LEU A 50 8.852 2.577 5.216 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.564 2.897 4.444 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.142 1.088 5.023 1.00 0.00 C ATOM 0 H LEU A 50 11.640 4.854 3.720 1.00 0.00 H new ATOM 0 HA LEU A 50 9.083 5.321 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.105 3.294 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.966 2.929 5.110 1.00 0.00 H new ATOM 0 HG LEU A 50 8.702 2.841 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.744 2.299 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.328 3.955 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.705 2.664 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.293 0.503 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.309 0.884 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.032 0.814 5.590 1.00 0.00 H new ATOM 769 N PRO A 51 9.261 5.291 7.426 1.00 0.00 N ATOM 770 CA PRO A 51 9.455 5.484 8.857 1.00 0.00 C ATOM 771 C PRO A 51 9.788 4.157 9.541 1.00 0.00 C ATOM 772 O PRO A 51 9.473 3.067 9.046 1.00 0.00 O ATOM 773 CB PRO A 51 8.144 6.064 9.383 1.00 0.00 C ATOM 774 CG PRO A 51 7.109 5.476 8.439 1.00 0.00 C ATOM 775 CD PRO A 51 7.845 5.384 7.103 1.00 0.00 C ATOM 0 HA PRO A 51 10.290 6.153 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.959 5.772 10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.144 7.154 9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.770 4.497 8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.227 6.112 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.517 4.512 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.643 6.260 6.486 1.00 0.00 H new ATOM 783 N ALA A 52 10.353 4.254 10.744 1.00 0.00 N ATOM 784 CA ALA A 52 10.757 3.106 11.542 1.00 0.00 C ATOM 785 C ALA A 52 9.593 2.187 11.934 1.00 0.00 C ATOM 786 O ALA A 52 9.805 1.013 12.227 1.00 0.00 O ATOM 787 CB ALA A 52 11.457 3.595 12.805 1.00 0.00 C ATOM 0 H ALA A 52 10.544 5.149 11.195 1.00 0.00 H new ATOM 0 HA ALA A 52 11.427 2.513 10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.762 2.739 13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.337 4.178 12.531 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.774 4.219 13.381 1.00 0.00 H new ATOM 793 N LYS A 53 8.361 2.698 11.956 1.00 0.00 N ATOM 794 CA LYS A 53 7.187 1.908 12.303 1.00 0.00 C ATOM 795 C LYS A 53 6.745 1.016 11.145 1.00 0.00 C ATOM 796 O LYS A 53 6.428 -0.153 11.349 1.00 0.00 O ATOM 797 CB LYS A 53 6.017 2.844 12.673 1.00 0.00 C ATOM 798 CG LYS A 53 6.286 3.818 13.834 1.00 0.00 C ATOM 799 CD LYS A 53 6.571 3.182 15.200 1.00 0.00 C ATOM 800 CE LYS A 53 5.306 2.765 15.967 1.00 0.00 C ATOM 801 NZ LYS A 53 4.712 1.502 15.482 1.00 0.00 N ATOM 0 H LYS A 53 8.153 3.671 11.733 1.00 0.00 H new ATOM 0 HA LYS A 53 7.457 1.277 13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.747 3.424 11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.152 2.232 12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.135 4.446 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.423 4.476 13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.203 2.306 15.057 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.137 3.888 15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.550 2.660 17.024 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.564 3.560 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.206 1.035 16.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.046 1.706 14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.465 0.875 15.134 1.00 0.00 H new ATOM 815 N LEU A 54 6.722 1.552 9.922 1.00 0.00 N ATOM 816 CA LEU A 54 6.260 0.850 8.720 1.00 0.00 C ATOM 817 C LEU A 54 7.243 -0.092 8.041 1.00 0.00 C ATOM 818 O LEU A 54 6.847 -0.800 7.123 1.00 0.00 O ATOM 819 CB LEU A 54 5.717 1.884 7.718 1.00 0.00 C ATOM 820 CG LEU A 54 4.551 2.717 8.284 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.032 3.700 7.235 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.397 1.840 8.764 1.00 0.00 C ATOM 0 H LEU A 54 7.030 2.506 9.735 1.00 0.00 H new ATOM 0 HA LEU A 54 5.484 0.172 9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.525 2.554 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.384 1.369 6.817 1.00 0.00 H new ATOM 0 HG LEU A 54 4.944 3.264 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.209 4.279 7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.836 4.374 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.681 3.149 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.599 2.471 9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.018 1.249 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.750 1.173 9.551 1.00 0.00 H new ATOM 834 N ARG A 55 8.497 -0.140 8.470 1.00 0.00 N ATOM 835 CA ARG A 55 9.566 -0.986 7.920 1.00 0.00 C ATOM 836 C ARG A 55 9.450 -2.466 8.315 1.00 0.00 C ATOM 837 O ARG A 55 10.472 -3.136 8.474 1.00 0.00 O ATOM 838 CB ARG A 55 10.921 -0.394 8.336 1.00 0.00 C ATOM 839 CG ARG A 55 11.075 -0.350 9.853 1.00 0.00 C ATOM 840 CD ARG A 55 12.391 -0.926 10.333 1.00 0.00 C ATOM 841 NE ARG A 55 12.394 -2.394 10.292 1.00 0.00 N ATOM 842 CZ ARG A 55 13.171 -3.224 10.985 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.995 -2.760 11.911 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.114 -4.526 10.746 1.00 0.00 N ATOM 0 H ARG A 55 8.820 0.435 9.248 1.00 0.00 H new ATOM 0 HA ARG A 55 9.470 -0.983 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.726 -0.990 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.018 0.613 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.992 0.683 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.255 -0.902 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.202 -0.544 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.584 -0.591 11.352 1.00 0.00 H new ATOM 0 HE ARG A 55 11.723 -2.828 9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.039 -1.758 12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.586 -3.404 12.437 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.478 -4.887 10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.706 -5.168 11.273 1.00 0.00 H new ATOM 858 N HIS A 56 8.233 -2.945 8.546 1.00 0.00 N ATOM 859 CA HIS A 56 7.936 -4.328 8.924 1.00 0.00 C ATOM 860 C HIS A 56 8.679 -5.326 8.025 1.00 0.00 C ATOM 861 O HIS A 56 9.038 -5.000 6.896 1.00 0.00 O ATOM 862 CB HIS A 56 6.416 -4.575 8.895 1.00 0.00 C ATOM 863 CG HIS A 56 5.870 -5.165 10.170 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.136 -6.326 10.294 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.949 -4.590 11.411 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.783 -6.457 11.582 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.252 -5.418 12.300 1.00 0.00 N ATOM 0 H HIS A 56 7.397 -2.365 8.474 1.00 0.00 H new ATOM 0 HA HIS A 56 8.290 -4.486 9.943 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.908 -3.631 8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.182 -5.244 8.067 1.00 0.00 H new ATOM 0 HD1 HIS A 56 4.903 -6.971 9.539 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.455 -3.669 11.658 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.206 -7.277 11.985 1.00 0.00 H new ATOM 875 N GLU A 57 8.847 -6.553 8.526 1.00 0.00 N ATOM 876 CA GLU A 57 9.541 -7.671 7.873 1.00 0.00 C ATOM 877 C GLU A 57 9.221 -7.782 6.378 1.00 0.00 C ATOM 878 O GLU A 57 10.129 -7.970 5.563 1.00 0.00 O ATOM 879 CB GLU A 57 9.183 -8.981 8.590 1.00 0.00 C ATOM 880 CG GLU A 57 9.826 -9.137 9.969 1.00 0.00 C ATOM 881 CD GLU A 57 9.180 -10.274 10.770 1.00 0.00 C ATOM 882 OE1 GLU A 57 8.721 -10.021 11.902 1.00 0.00 O ATOM 883 OE2 GLU A 57 9.061 -11.423 10.286 1.00 0.00 O ATOM 0 H GLU A 57 8.485 -6.808 9.445 1.00 0.00 H new ATOM 0 HA GLU A 57 10.611 -7.479 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.100 -9.039 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.486 -9.820 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.892 -9.333 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.732 -8.203 10.522 1.00 0.00 H new ATOM 890 N GLN A 58 7.945 -7.682 6.008 1.00 0.00 N ATOM 891 CA GLN A 58 7.472 -7.747 4.638 1.00 0.00 C ATOM 892 C GLN A 58 6.345 -6.736 4.511 1.00 0.00 C ATOM 893 O GLN A 58 5.523 -6.607 5.422 1.00 0.00 O ATOM 894 CB GLN A 58 7.007 -9.175 4.291 1.00 0.00 C ATOM 895 CG GLN A 58 8.051 -10.269 4.603 1.00 0.00 C ATOM 896 CD GLN A 58 7.674 -11.638 4.044 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.043 -11.752 3.000 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.030 -12.720 4.723 1.00 0.00 N ATOM 0 H GLN A 58 7.191 -7.549 6.682 1.00 0.00 H new ATOM 0 HA GLN A 58 8.268 -7.507 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.092 -9.392 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.757 -9.217 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.015 -9.969 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.175 -10.346 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.555 -12.627 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.779 -13.646 4.376 1.00 0.00 H new ATOM 907 N ILE A 59 6.302 -5.990 3.408 1.00 0.00 N ATOM 908 CA ILE A 59 5.279 -4.990 3.176 1.00 0.00 C ATOM 909 C ILE A 59 4.833 -5.029 1.712 1.00 0.00 C ATOM 910 O ILE A 59 5.468 -5.645 0.855 1.00 0.00 O ATOM 911 CB ILE A 59 5.760 -3.590 3.637 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.569 -2.862 2.545 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.537 -3.600 4.972 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.004 -1.449 2.930 1.00 0.00 C ATOM 0 H ILE A 59 6.982 -6.068 2.651 1.00 0.00 H new ATOM 0 HA ILE A 59 4.401 -5.217 3.780 1.00 0.00 H new ATOM 0 HB ILE A 59 4.842 -3.031 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.455 -3.452 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.969 -2.811 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.839 -2.584 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.899 -3.996 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.423 -4.227 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.567 -1.005 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.123 -0.841 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.632 -1.491 3.820 1.00 0.00 H new ATOM 926 N ILE A 60 3.757 -4.317 1.404 1.00 0.00 N ATOM 927 CA ILE A 60 3.168 -4.211 0.078 1.00 0.00 C ATOM 928 C ILE A 60 2.949 -2.722 -0.195 1.00 0.00 C ATOM 929 O ILE A 60 2.606 -1.959 0.714 1.00 0.00 O ATOM 930 CB ILE A 60 1.865 -5.046 0.022 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.105 -6.536 0.373 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.192 -4.957 -1.358 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.570 -6.918 1.753 1.00 0.00 C ATOM 0 H ILE A 60 3.250 -3.774 2.103 1.00 0.00 H new ATOM 0 HA ILE A 60 3.816 -4.615 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 60 1.204 -4.614 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.629 -7.163 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.174 -6.745 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.281 -5.556 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.943 -3.918 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.874 -5.334 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.768 -7.973 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.064 -6.315 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.495 -6.739 1.789 1.00 0.00 H new ATOM 945 N PHE A 61 3.167 -2.305 -1.442 1.00 0.00 N ATOM 946 CA PHE A 61 3.001 -0.939 -1.906 1.00 0.00 C ATOM 947 C PHE A 61 1.808 -0.903 -2.847 1.00 0.00 C ATOM 948 O PHE A 61 1.764 -1.654 -3.825 1.00 0.00 O ATOM 949 CB PHE A 61 4.262 -0.454 -2.643 1.00 0.00 C ATOM 950 CG PHE A 61 5.493 -0.194 -1.794 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.364 0.466 -0.561 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.779 -0.523 -2.268 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.496 0.793 0.199 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.917 -0.161 -1.521 1.00 0.00 C ATOM 955 CZ PHE A 61 7.776 0.503 -0.295 1.00 0.00 C ATOM 0 H PHE A 61 3.476 -2.938 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 61 2.838 -0.280 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.521 -1.196 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.014 0.466 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.382 0.725 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.892 -1.052 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.382 1.267 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.903 -0.396 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.651 0.791 0.268 1.00 0.00 H new ATOM 965 N HIS A 62 0.849 -0.026 -2.556 1.00 0.00 N ATOM 966 CA HIS A 62 -0.347 0.139 -3.366 1.00 0.00 C ATOM 967 C HIS A 62 -0.701 1.622 -3.485 1.00 0.00 C ATOM 968 O HIS A 62 -0.360 2.428 -2.609 1.00 0.00 O ATOM 969 CB HIS A 62 -1.508 -0.706 -2.800 1.00 0.00 C ATOM 970 CG HIS A 62 -2.140 -0.224 -1.514 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.619 0.698 -0.632 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.344 -0.639 -1.005 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.506 0.876 0.355 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.578 0.102 0.156 1.00 0.00 N ATOM 0 H HIS A 62 0.884 0.592 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.155 -0.229 -4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.287 -0.764 -3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.143 -1.720 -2.639 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.715 1.164 -0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.990 -1.397 -1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.375 1.547 1.191 1.00 0.00 H new ATOM 982 N CYS A 63 -1.366 1.985 -4.577 1.00 0.00 N ATOM 983 CA CYS A 63 -1.821 3.333 -4.881 1.00 0.00 C ATOM 984 C CYS A 63 -3.083 3.249 -5.735 1.00 0.00 C ATOM 985 O CYS A 63 -3.545 2.152 -6.031 1.00 0.00 O ATOM 986 CB CYS A 63 -0.712 4.166 -5.537 1.00 0.00 C ATOM 987 SG CYS A 63 0.068 3.352 -6.952 1.00 0.00 S ATOM 0 H CYS A 63 -1.613 1.315 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.069 3.854 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.130 5.119 -5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.051 4.390 -4.792 1.00 0.00 H new ATOM 0 HG CYS A 63 1.228 3.894 -7.179 1.00 0.00 H new ATOM 993 N GLN A 64 -3.632 4.410 -6.108 1.00 0.00 N ATOM 994 CA GLN A 64 -4.839 4.595 -6.908 1.00 0.00 C ATOM 995 C GLN A 64 -5.022 3.530 -7.999 1.00 0.00 C ATOM 996 O GLN A 64 -5.843 2.635 -7.787 1.00 0.00 O ATOM 997 CB GLN A 64 -4.975 6.056 -7.366 1.00 0.00 C ATOM 998 CG GLN A 64 -3.695 6.697 -7.932 1.00 0.00 C ATOM 999 CD GLN A 64 -3.873 7.118 -9.379 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -3.740 6.303 -10.284 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.178 8.374 -9.630 1.00 0.00 N ATOM 0 H GLN A 64 -3.215 5.301 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.701 4.414 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.753 6.108 -8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.316 6.653 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.426 7.565 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.869 5.989 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.284 9.036 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.308 8.685 -10.593 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.299 3.629 -9.118 1.00 0.00 N ATOM 1011 CA ALA A 65 -4.312 2.718 -10.259 1.00 0.00 C ATOM 1012 C ALA A 65 -3.290 3.233 -11.282 1.00 0.00 C ATOM 1013 O ALA A 65 -3.664 3.856 -12.284 1.00 0.00 O ATOM 1014 CB ALA A 65 -5.711 2.613 -10.888 1.00 0.00 C ATOM 0 H ALA A 65 -3.646 4.400 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.047 1.714 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.679 1.926 -11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.417 2.242 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.030 3.597 -11.232 1.00 0.00 H new ATOM 1020 N GLY A 66 -1.993 3.037 -11.025 1.00 0.00 N ATOM 1021 CA GLY A 66 -0.957 3.490 -11.943 1.00 0.00 C ATOM 1022 C GLY A 66 0.395 2.820 -11.726 1.00 0.00 C ATOM 1023 O GLY A 66 0.754 2.472 -10.600 1.00 0.00 O ATOM 0 H GLY A 66 -1.642 2.568 -10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.284 3.303 -12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.838 4.568 -11.838 1.00 0.00 H new ATOM 1027 N LYS A 67 1.204 2.794 -12.791 1.00 0.00 N ATOM 1028 CA LYS A 67 2.546 2.206 -12.917 1.00 0.00 C ATOM 1029 C LYS A 67 3.592 2.658 -11.907 1.00 0.00 C ATOM 1030 O LYS A 67 4.719 2.177 -11.943 1.00 0.00 O ATOM 1031 CB LYS A 67 3.071 2.451 -14.349 1.00 0.00 C ATOM 1032 CG LYS A 67 3.517 3.902 -14.652 1.00 0.00 C ATOM 1033 CD LYS A 67 4.164 3.983 -16.042 1.00 0.00 C ATOM 1034 CE LYS A 67 4.692 5.365 -16.451 1.00 0.00 C ATOM 1035 NZ LYS A 67 3.642 6.396 -16.592 1.00 0.00 N ATOM 0 H LYS A 67 0.910 3.223 -13.668 1.00 0.00 H new ATOM 0 HA LYS A 67 2.405 1.148 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.915 1.784 -14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.290 2.173 -15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.658 4.571 -14.604 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.225 4.238 -13.894 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.990 3.273 -16.080 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.432 3.660 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.417 5.699 -15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.225 5.273 -17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.077 7.299 -16.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.962 6.101 -17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.148 6.514 -15.685 1.00 0.00 H new ATOM 1049 N ARG A 68 3.277 3.637 -11.060 1.00 0.00 N ATOM 1050 CA ARG A 68 4.147 4.225 -10.040 1.00 0.00 C ATOM 1051 C ARG A 68 4.882 3.138 -9.260 1.00 0.00 C ATOM 1052 O ARG A 68 6.073 3.279 -8.988 1.00 0.00 O ATOM 1053 CB ARG A 68 3.318 5.149 -9.142 1.00 0.00 C ATOM 1054 CG ARG A 68 2.984 6.497 -9.811 1.00 0.00 C ATOM 1055 CD ARG A 68 2.117 6.397 -11.074 1.00 0.00 C ATOM 1056 NE ARG A 68 1.729 7.723 -11.553 1.00 0.00 N ATOM 1057 CZ ARG A 68 1.359 8.031 -12.800 1.00 0.00 C ATOM 1058 NH1 ARG A 68 1.193 7.108 -13.740 1.00 0.00 N ATOM 1059 NH2 ARG A 68 1.155 9.297 -13.127 1.00 0.00 N ATOM 0 H ARG A 68 2.352 4.067 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 68 4.921 4.829 -10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.391 4.645 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.864 5.334 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.471 7.128 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.917 6.999 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.666 5.871 -11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.225 5.809 -10.861 1.00 0.00 H new ATOM 0 HE ARG A 68 1.742 8.483 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.349 6.124 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.910 7.383 -14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.280 10.030 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.873 9.539 -14.077 1.00 0.00 H new ATOM 1073 N THR A 69 4.167 2.060 -8.961 1.00 0.00 N ATOM 1074 CA THR A 69 4.610 0.865 -8.272 1.00 0.00 C ATOM 1075 C THR A 69 5.952 0.376 -8.839 1.00 0.00 C ATOM 1076 O THR A 69 6.922 0.239 -8.094 1.00 0.00 O ATOM 1077 CB THR A 69 3.472 -0.163 -8.427 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.934 -0.135 -9.739 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.347 0.144 -7.435 1.00 0.00 C ATOM 0 H THR A 69 3.182 2.000 -9.218 1.00 0.00 H new ATOM 0 HA THR A 69 4.801 1.044 -7.214 1.00 0.00 H new ATOM 0 HB THR A 69 3.890 -1.150 -8.231 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.215 -0.797 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.548 -0.588 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.736 0.096 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.955 1.143 -7.627 1.00 0.00 H new ATOM 1087 N SER A 70 6.048 0.144 -10.149 1.00 0.00 N ATOM 1088 CA SER A 70 7.279 -0.310 -10.788 1.00 0.00 C ATOM 1089 C SER A 70 8.146 0.860 -11.277 1.00 0.00 C ATOM 1090 O SER A 70 9.373 0.738 -11.352 1.00 0.00 O ATOM 1091 CB SER A 70 6.908 -1.272 -11.918 1.00 0.00 C ATOM 1092 OG SER A 70 5.879 -0.757 -12.745 1.00 0.00 O ATOM 0 H SER A 70 5.270 0.267 -10.797 1.00 0.00 H new ATOM 0 HA SER A 70 7.895 -0.834 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.791 -1.475 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.588 -2.223 -11.492 1.00 0.00 H new ATOM 0 HG SER A 70 5.675 -1.403 -13.454 1.00 0.00 H new ATOM 1098 N ASN A 71 7.534 2.018 -11.542 1.00 0.00 N ATOM 1099 CA ASN A 71 8.185 3.242 -12.036 1.00 0.00 C ATOM 1100 C ASN A 71 9.307 3.708 -11.115 1.00 0.00 C ATOM 1101 O ASN A 71 10.280 4.296 -11.594 1.00 0.00 O ATOM 1102 CB ASN A 71 7.146 4.366 -12.168 1.00 0.00 C ATOM 1103 CG ASN A 71 7.496 5.538 -13.082 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.630 6.001 -13.820 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.690 6.095 -13.040 1.00 0.00 N ATOM 0 H ASN A 71 6.529 2.136 -11.414 1.00 0.00 H new ATOM 0 HA ASN A 71 8.620 3.008 -13.007 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.216 3.925 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.949 4.762 -11.172 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.894 6.909 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.410 5.712 -12.428 1.00 0.00 H new ATOM 1112 N ASN A 72 9.173 3.471 -9.807 1.00 0.00 N ATOM 1113 CA ASN A 72 10.175 3.855 -8.819 1.00 0.00 C ATOM 1114 C ASN A 72 10.750 2.615 -8.121 1.00 0.00 C ATOM 1115 O ASN A 72 11.393 2.786 -7.099 1.00 0.00 O ATOM 1116 CB ASN A 72 9.649 4.903 -7.802 1.00 0.00 C ATOM 1117 CG ASN A 72 9.228 6.238 -8.412 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.291 6.299 -9.209 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.828 7.352 -8.019 1.00 0.00 N ATOM 0 H ASN A 72 8.360 3.004 -9.405 1.00 0.00 H new ATOM 0 HA ASN A 72 10.985 4.348 -9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.797 4.477 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.425 5.088 -7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.513 8.254 -8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.605 7.308 -7.359 1.00 0.00 H new ATOM 1126 N ALA A 73 10.535 1.389 -8.612 1.00 0.00 N ATOM 1127 CA ALA A 73 11.015 0.117 -8.073 1.00 0.00 C ATOM 1128 C ALA A 73 12.460 0.169 -7.574 1.00 0.00 C ATOM 1129 O ALA A 73 12.754 -0.435 -6.546 1.00 0.00 O ATOM 1130 CB ALA A 73 10.891 -0.970 -9.148 1.00 0.00 C ATOM 0 H ALA A 73 9.981 1.253 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 73 10.392 -0.110 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.248 -1.919 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.847 -1.071 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.490 -0.693 -10.016 1.00 0.00 H new ATOM 1136 N ASP A 74 13.341 0.904 -8.252 1.00 0.00 N ATOM 1137 CA ASP A 74 14.753 1.022 -7.881 1.00 0.00 C ATOM 1138 C ASP A 74 14.916 1.559 -6.458 1.00 0.00 C ATOM 1139 O ASP A 74 15.595 0.977 -5.611 1.00 0.00 O ATOM 1140 CB ASP A 74 15.483 1.936 -8.884 1.00 0.00 C ATOM 1141 CG ASP A 74 16.618 1.243 -9.631 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.849 1.635 -10.794 1.00 0.00 O ATOM 1143 OD2 ASP A 74 17.252 0.286 -9.126 1.00 0.00 O ATOM 0 H ASP A 74 13.093 1.440 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 74 15.195 0.026 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.762 2.315 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.884 2.798 -8.351 1.00 0.00 H new ATOM 1148 N LYS A 75 14.304 2.715 -6.212 1.00 0.00 N ATOM 1149 CA LYS A 75 14.309 3.422 -4.936 1.00 0.00 C ATOM 1150 C LYS A 75 13.335 2.765 -3.991 1.00 0.00 C ATOM 1151 O LYS A 75 13.688 2.514 -2.851 1.00 0.00 O ATOM 1152 CB LYS A 75 14.074 4.910 -5.059 1.00 0.00 C ATOM 1153 CG LYS A 75 12.930 5.320 -5.917 1.00 0.00 C ATOM 1154 CD LYS A 75 13.317 5.324 -7.396 1.00 0.00 C ATOM 1155 CE LYS A 75 13.551 6.730 -7.939 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.651 7.443 -7.265 1.00 0.00 N ATOM 0 H LYS A 75 13.768 3.205 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 75 15.315 3.342 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.918 5.317 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.981 5.370 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.093 4.640 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.592 6.314 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.221 4.731 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.529 4.842 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.768 6.668 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.634 7.309 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.994 8.210 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.308 7.843 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.428 6.779 -7.072 1.00 0.00 H new ATOM 1170 N LEU A 76 12.133 2.461 -4.484 1.00 0.00 N ATOM 1171 CA LEU A 76 11.076 1.808 -3.703 1.00 0.00 C ATOM 1172 C LEU A 76 11.645 0.584 -2.996 1.00 0.00 C ATOM 1173 O LEU A 76 11.385 0.410 -1.806 1.00 0.00 O ATOM 1174 CB LEU A 76 9.836 1.456 -4.543 1.00 0.00 C ATOM 1175 CG LEU A 76 8.920 2.657 -4.842 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.765 2.238 -5.759 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.305 3.224 -3.565 1.00 0.00 C ATOM 0 H LEU A 76 11.861 2.662 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 76 10.726 2.521 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.161 1.017 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.259 0.694 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 76 9.542 3.413 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.128 3.100 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.166 1.857 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.178 1.459 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.665 4.070 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.712 2.453 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.098 3.554 -2.895 1.00 0.00 H new ATOM 1189 N ALA A 77 12.435 -0.229 -3.708 1.00 0.00 N ATOM 1190 CA ALA A 77 13.065 -1.398 -3.102 1.00 0.00 C ATOM 1191 C ALA A 77 13.924 -0.963 -1.904 1.00 0.00 C ATOM 1192 O ALA A 77 13.733 -1.478 -0.808 1.00 0.00 O ATOM 1193 CB ALA A 77 13.962 -2.128 -4.107 1.00 0.00 C ATOM 0 H ALA A 77 12.649 -0.097 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 77 12.273 -2.073 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.417 -2.994 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.364 -2.457 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.744 -1.453 -4.454 1.00 0.00 H new ATOM 1199 N ALA A 78 14.872 -0.032 -2.097 1.00 0.00 N ATOM 1200 CA ALA A 78 15.761 0.421 -1.026 1.00 0.00 C ATOM 1201 C ALA A 78 15.043 1.074 0.154 1.00 0.00 C ATOM 1202 O ALA A 78 15.379 0.757 1.292 1.00 0.00 O ATOM 1203 CB ALA A 78 16.833 1.358 -1.580 1.00 0.00 C ATOM 0 H ALA A 78 15.040 0.422 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 78 16.225 -0.482 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.485 1.685 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.423 0.832 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.357 2.226 -2.035 1.00 0.00 H new ATOM 1209 N ILE A 79 14.063 1.938 -0.124 1.00 0.00 N ATOM 1210 CA ILE A 79 13.247 2.692 0.830 1.00 0.00 C ATOM 1211 C ILE A 79 12.670 1.783 1.920 1.00 0.00 C ATOM 1212 O ILE A 79 12.539 2.212 3.068 1.00 0.00 O ATOM 1213 CB ILE A 79 12.162 3.465 0.032 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.796 4.689 -0.667 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.993 3.941 0.909 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.913 5.297 -1.764 1.00 0.00 C ATOM 0 H ILE A 79 13.801 2.143 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 79 13.861 3.415 1.368 1.00 0.00 H new ATOM 0 HB ILE A 79 11.759 2.766 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.010 5.453 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.750 4.394 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.269 4.474 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.511 3.080 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.369 4.607 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.423 6.151 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.720 4.548 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.968 5.624 -1.331 1.00 0.00 H new ATOM 1228 N ALA A 80 12.296 0.551 1.569 1.00 0.00 N ATOM 1229 CA ALA A 80 11.727 -0.405 2.512 1.00 0.00 C ATOM 1230 C ALA A 80 12.701 -1.522 2.897 1.00 0.00 C ATOM 1231 O ALA A 80 12.573 -2.086 3.986 1.00 0.00 O ATOM 1232 CB ALA A 80 10.456 -0.980 1.891 1.00 0.00 C ATOM 0 H ALA A 80 12.381 0.190 0.619 1.00 0.00 H new ATOM 0 HA ALA A 80 11.502 0.117 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.009 -1.700 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.748 -0.174 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.702 -1.478 0.953 1.00 0.00 H new ATOM 1238 N ALA A 81 13.675 -1.846 2.044 1.00 0.00 N ATOM 1239 CA ALA A 81 14.646 -2.900 2.290 1.00 0.00 C ATOM 1240 C ALA A 81 15.398 -2.729 3.628 1.00 0.00 C ATOM 1241 O ALA A 81 15.454 -1.622 4.175 1.00 0.00 O ATOM 1242 CB ALA A 81 15.599 -2.991 1.113 1.00 0.00 C ATOM 0 H ALA A 81 13.808 -1.373 1.150 1.00 0.00 H new ATOM 0 HA ALA A 81 14.104 -3.841 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.328 -3.781 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.037 -3.218 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.117 -2.040 0.990 1.00 0.00 H new ATOM 1248 N PRO A 82 16.015 -3.790 4.189 1.00 0.00 N ATOM 1249 CA PRO A 82 16.109 -5.175 3.707 1.00 0.00 C ATOM 1250 C PRO A 82 14.793 -5.975 3.723 1.00 0.00 C ATOM 1251 O PRO A 82 14.821 -7.183 3.491 1.00 0.00 O ATOM 1252 CB PRO A 82 17.195 -5.818 4.575 1.00 0.00 C ATOM 1253 CG PRO A 82 17.059 -5.084 5.903 1.00 0.00 C ATOM 1254 CD PRO A 82 16.747 -3.667 5.442 1.00 0.00 C ATOM 0 HA PRO A 82 16.355 -5.179 2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.037 -6.890 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.187 -5.687 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.262 -5.499 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.975 -5.130 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.153 -3.139 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.664 -3.095 5.301 1.00 0.00 H new ATOM 1262 N ALA A 83 13.661 -5.343 4.025 1.00 0.00 N ATOM 1263 CA ALA A 83 12.364 -6.001 4.048 1.00 0.00 C ATOM 1264 C ALA A 83 11.944 -6.413 2.631 1.00 0.00 C ATOM 1265 O ALA A 83 12.580 -6.042 1.637 1.00 0.00 O ATOM 1266 CB ALA A 83 11.318 -5.048 4.635 1.00 0.00 C ATOM 0 H ALA A 83 13.622 -4.352 4.262 1.00 0.00 H new ATOM 0 HA ALA A 83 12.436 -6.896 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.346 -5.541 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.604 -4.774 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.259 -4.150 4.020 1.00 0.00 H new ATOM 1272 N GLU A 84 10.874 -7.198 2.537 1.00 0.00 N ATOM 1273 CA GLU A 84 10.324 -7.640 1.259 1.00 0.00 C ATOM 1274 C GLU A 84 9.276 -6.608 0.852 1.00 0.00 C ATOM 1275 O GLU A 84 8.568 -6.078 1.711 1.00 0.00 O ATOM 1276 CB GLU A 84 9.687 -9.028 1.375 1.00 0.00 C ATOM 1277 CG GLU A 84 10.772 -10.103 1.446 1.00 0.00 C ATOM 1278 CD GLU A 84 10.218 -11.525 1.524 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.452 -12.185 2.567 1.00 0.00 O ATOM 1280 OE2 GLU A 84 9.629 -12.008 0.529 1.00 0.00 O ATOM 0 H GLU A 84 10.362 -7.546 3.348 1.00 0.00 H new ATOM 0 HA GLU A 84 11.115 -7.719 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.060 -9.075 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.039 -9.211 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.413 -10.019 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.399 -9.918 2.318 1.00 0.00 H new ATOM 1287 N ILE A 85 9.165 -6.328 -0.446 1.00 0.00 N ATOM 1288 CA ILE A 85 8.215 -5.379 -0.993 1.00 0.00 C ATOM 1289 C ILE A 85 7.460 -6.048 -2.130 1.00 0.00 C ATOM 1290 O ILE A 85 8.069 -6.696 -2.977 1.00 0.00 O ATOM 1291 CB ILE A 85 8.881 -4.060 -1.437 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.313 -4.174 -2.014 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.806 -3.066 -0.275 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.453 -4.136 -0.984 1.00 0.00 C ATOM 0 H ILE A 85 9.749 -6.768 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 85 7.513 -5.094 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 85 8.314 -3.704 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.386 -5.106 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.464 -3.362 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.272 -2.126 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.762 -2.888 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.330 -3.476 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.410 -4.223 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.419 -3.193 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.339 -4.965 -0.285 1.00 0.00 H new ATOM 1306 N PHE A 86 6.145 -5.843 -2.174 1.00 0.00 N ATOM 1307 CA PHE A 86 5.251 -6.388 -3.189 1.00 0.00 C ATOM 1308 C PHE A 86 4.409 -5.256 -3.791 1.00 0.00 C ATOM 1309 O PHE A 86 4.406 -4.145 -3.254 1.00 0.00 O ATOM 1310 CB PHE A 86 4.400 -7.506 -2.586 1.00 0.00 C ATOM 1311 CG PHE A 86 5.193 -8.643 -1.976 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.380 -8.729 -0.583 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.738 -9.632 -2.813 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.111 -9.794 -0.033 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.475 -10.694 -2.265 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.657 -10.777 -0.873 1.00 0.00 C ATOM 0 H PHE A 86 5.659 -5.274 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 86 5.825 -6.832 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.753 -7.079 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.750 -7.909 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.960 -7.973 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.589 -9.575 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.253 -9.857 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.902 -11.446 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.217 -11.598 -0.450 1.00 0.00 H new ATOM 1326 N LEU A 87 3.656 -5.521 -4.866 1.00 0.00 N ATOM 1327 CA LEU A 87 2.829 -4.535 -5.570 1.00 0.00 C ATOM 1328 C LEU A 87 1.403 -5.039 -5.855 1.00 0.00 C ATOM 1329 O LEU A 87 1.152 -6.246 -5.929 1.00 0.00 O ATOM 1330 CB LEU A 87 3.512 -4.214 -6.916 1.00 0.00 C ATOM 1331 CG LEU A 87 4.934 -3.623 -6.873 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.473 -3.511 -8.308 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.991 -2.269 -6.155 1.00 0.00 C ATOM 0 H LEU A 87 3.604 -6.452 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 87 2.740 -3.657 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.548 -5.133 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.874 -3.515 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 87 5.564 -4.297 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.480 -3.093 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.500 -4.500 -8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.822 -2.860 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.017 -1.900 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.349 -1.556 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.648 -2.387 -5.127 1.00 0.00 H new ATOM 1345 N LEU A 88 0.479 -4.099 -6.097 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.937 -4.332 -6.405 1.00 0.00 C ATOM 1347 C LEU A 88 -1.226 -3.886 -7.847 1.00 0.00 C ATOM 1348 O LEU A 88 -1.277 -2.681 -8.122 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.857 -3.568 -5.418 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.638 -4.477 -4.453 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -1.782 -4.962 -3.289 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.848 -3.740 -3.871 1.00 0.00 C ATOM 0 H LEU A 88 0.712 -3.106 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.144 -5.397 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.250 -2.875 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.566 -2.969 -5.989 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.957 -5.337 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.380 -5.599 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.934 -5.529 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.419 -4.105 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.385 -4.402 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.510 -2.858 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.512 -3.434 -4.680 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.444 -4.830 -8.768 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.737 -4.563 -10.175 1.00 0.00 C ATOM 1366 C GLU A 89 -3.091 -3.870 -10.335 1.00 0.00 C ATOM 1367 O GLU A 89 -3.163 -2.823 -10.973 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.719 -5.877 -10.968 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.291 -6.330 -11.287 1.00 0.00 C ATOM 1370 CD GLU A 89 0.398 -5.446 -12.335 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.196 -5.696 -13.546 1.00 0.00 O ATOM 1372 OE2 GLU A 89 1.172 -4.524 -11.971 1.00 0.00 O ATOM 0 H GLU A 89 -1.420 -5.826 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.969 -3.895 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.227 -6.653 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.276 -5.749 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.299 -6.325 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.314 -7.359 -11.646 1.00 0.00 H new ATOM 1379 N ASP A 90 -4.145 -4.395 -9.702 1.00 0.00 N ATOM 1380 CA ASP A 90 -5.499 -3.822 -9.782 1.00 0.00 C ATOM 1381 C ASP A 90 -5.593 -2.453 -9.087 1.00 0.00 C ATOM 1382 O ASP A 90 -6.577 -1.728 -9.241 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.507 -4.794 -9.148 1.00 0.00 C ATOM 1384 CG ASP A 90 -7.888 -4.744 -9.813 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -8.141 -5.609 -10.677 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -8.757 -3.920 -9.453 1.00 0.00 O ATOM 0 H ASP A 90 -4.087 -5.230 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.732 -3.671 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.115 -5.809 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.611 -4.560 -8.088 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.546 -2.074 -8.346 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.465 -0.832 -7.596 1.00 0.00 C ATOM 1393 C GLY A 91 -5.298 -0.967 -6.323 1.00 0.00 C ATOM 1394 O GLY A 91 -5.899 -2.014 -6.065 1.00 0.00 O ATOM 0 H GLY A 91 -3.708 -2.648 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.428 -0.610 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.832 -0.002 -8.200 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.341 0.084 -5.502 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.123 0.101 -4.262 1.00 0.00 C ATOM 1400 C ILE A 92 -7.604 -0.100 -4.610 1.00 0.00 C ATOM 1401 O ILE A 92 -8.377 -0.586 -3.797 1.00 0.00 O ATOM 1402 CB ILE A 92 -5.809 1.380 -3.461 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.205 1.297 -1.974 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.348 2.642 -4.138 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.596 1.821 -1.580 1.00 0.00 C ATOM 0 H ILE A 92 -4.833 0.951 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.850 -0.721 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.722 1.459 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.139 0.254 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.462 1.847 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.100 3.514 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.898 2.746 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.431 2.567 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.739 1.701 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.674 2.877 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.362 1.258 -2.114 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.989 0.228 -5.846 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.328 0.069 -6.402 1.00 0.00 C ATOM 1419 C ASP A 93 -9.727 -1.413 -6.259 1.00 0.00 C ATOM 1420 O ASP A 93 -10.850 -1.731 -5.865 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.269 0.562 -7.852 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.499 0.218 -8.683 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.626 0.661 -8.371 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -10.325 -0.527 -9.676 1.00 0.00 O ATOM 0 H ASP A 93 -7.338 0.633 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.092 0.650 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.137 1.644 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.389 0.135 -8.333 1.00 0.00 H new ATOM 1429 N GLY A 94 -8.777 -2.338 -6.465 1.00 0.00 N ATOM 1430 CA GLY A 94 -8.993 -3.778 -6.328 1.00 0.00 C ATOM 1431 C GLY A 94 -9.395 -4.146 -4.901 1.00 0.00 C ATOM 1432 O GLY A 94 -10.065 -5.153 -4.658 1.00 0.00 O ATOM 0 H GLY A 94 -7.823 -2.098 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.771 -4.099 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.083 -4.312 -6.601 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.999 -3.337 -3.915 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.344 -3.555 -2.517 1.00 0.00 C ATOM 1438 C TRP A 95 -10.851 -3.327 -2.298 1.00 0.00 C ATOM 1439 O TRP A 95 -11.393 -3.651 -1.243 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.567 -2.622 -1.614 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.409 -3.166 -0.230 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.303 -3.061 0.776 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.317 -3.975 0.295 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.842 -3.739 1.882 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.616 -4.323 1.647 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.108 -4.455 -0.252 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.751 -5.103 2.427 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.231 -5.237 0.525 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.549 -5.553 1.858 1.00 0.00 C ATOM 0 H TRP A 95 -8.426 -2.508 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.087 -4.585 -2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.582 -2.441 -2.045 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.076 -1.659 -1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.239 -2.526 0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.346 -3.801 2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.853 -4.221 -1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.004 -5.353 3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.308 -5.596 0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.865 -6.145 2.447 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.574 -2.883 -3.316 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.018 -2.686 -3.291 1.00 0.00 C ATOM 1462 C LYS A 96 -13.640 -3.819 -4.117 1.00 0.00 C ATOM 1463 O LYS A 96 -14.467 -4.556 -3.593 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.401 -1.273 -3.777 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.630 -0.184 -3.004 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.818 1.233 -3.562 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.130 1.922 -3.158 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.224 2.135 -1.696 1.00 0.00 N ATOM 0 H LYS A 96 -11.157 -2.641 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.411 -2.735 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.190 -1.183 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.473 -1.121 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.950 -0.198 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.568 -0.429 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.984 1.851 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.769 1.188 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.206 2.882 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.973 1.316 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.995 2.802 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.416 1.228 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.327 2.525 -1.344 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.170 -4.044 -5.349 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.654 -5.083 -6.269 1.00 0.00 C ATOM 1484 C LYS A 97 -13.578 -6.481 -5.669 1.00 0.00 C ATOM 1485 O LYS A 97 -14.529 -7.249 -5.811 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.854 -4.999 -7.577 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.130 -6.087 -8.635 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.124 -6.006 -9.796 1.00 0.00 C ATOM 1489 CE LYS A 97 -12.266 -4.737 -10.638 1.00 0.00 C ATOM 1490 NZ LYS A 97 -10.982 -4.328 -11.256 1.00 0.00 N ATOM 0 H LYS A 97 -12.414 -3.488 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.710 -4.900 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.048 -4.027 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.793 -5.029 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.074 -7.071 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.143 -5.974 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.112 -6.054 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.253 -6.876 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.007 -4.903 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.640 -3.927 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.115 -3.437 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.267 -4.193 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.662 -5.067 -11.914 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.460 -6.857 -5.044 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.308 -8.185 -4.444 1.00 0.00 C ATOM 1506 C ALA A 98 -13.309 -8.408 -3.288 1.00 0.00 C ATOM 1507 O ALA A 98 -13.643 -9.556 -2.980 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.847 -8.429 -4.038 1.00 0.00 C ATOM 0 H ALA A 98 -11.642 -6.257 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.557 -8.936 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.753 -9.420 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.209 -8.364 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.541 -7.676 -3.312 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.839 -7.328 -2.708 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.815 -7.316 -1.617 1.00 0.00 C ATOM 1516 C GLY A 99 -14.199 -7.215 -0.217 1.00 0.00 C ATOM 1517 O GLY A 99 -14.834 -7.611 0.763 1.00 0.00 O ATOM 0 H GLY A 99 -13.584 -6.386 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.495 -6.476 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.415 -8.225 -1.672 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.967 -6.721 -0.096 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.240 -6.575 1.172 1.00 0.00 C ATOM 1523 C LEU A 100 -12.794 -5.405 2.013 1.00 0.00 C ATOM 1524 O LEU A 100 -13.465 -4.527 1.458 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.741 -6.389 0.867 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.047 -7.613 0.239 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.615 -7.254 -0.160 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.019 -8.810 1.194 1.00 0.00 C ATOM 0 H LEU A 100 -12.428 -6.401 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.378 -7.476 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.625 -5.540 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.226 -6.134 1.793 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.624 -7.896 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.132 -8.125 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.632 -6.440 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.059 -6.941 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.521 -9.650 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.477 -8.540 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.039 -9.093 1.452 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.523 -5.342 3.332 1.00 0.00 N ATOM 1541 CA PRO A 101 -13.004 -4.262 4.202 1.00 0.00 C ATOM 1542 C PRO A 101 -12.233 -2.943 4.008 1.00 0.00 C ATOM 1543 O PRO A 101 -11.181 -2.902 3.364 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.797 -4.791 5.626 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.571 -5.682 5.491 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.763 -6.313 4.117 1.00 0.00 C ATOM 0 HA PRO A 101 -14.042 -4.020 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.630 -3.981 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.664 -5.350 5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.646 -5.108 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.528 -6.434 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.803 -6.528 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.299 -7.259 4.193 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.746 -1.860 4.598 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.185 -0.506 4.572 1.00 0.00 C ATOM 1556 C VAL A 102 -12.301 0.125 5.958 1.00 0.00 C ATOM 1557 O VAL A 102 -13.009 -0.380 6.830 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.858 0.404 3.517 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.125 0.295 2.177 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.363 0.188 3.354 1.00 0.00 C ATOM 0 H VAL A 102 -13.611 -1.907 5.136 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.137 -0.597 4.287 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.768 1.421 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.609 0.940 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.087 0.604 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.156 -0.737 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.748 0.868 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.552 -0.841 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.863 0.383 4.303 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.597 1.241 6.158 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.561 2.019 7.384 1.00 0.00 C ATOM 1572 C ALA A 103 -12.237 3.356 7.091 1.00 0.00 C ATOM 1573 O ALA A 103 -11.575 4.396 7.008 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.104 2.210 7.818 1.00 0.00 C ATOM 0 H ALA A 103 -11.009 1.642 5.427 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.084 1.516 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.072 2.794 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.645 1.236 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.557 2.736 7.035 1.00 0.00 H new ATOM 1580 N VAL A 104 -13.529 3.344 6.768 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.267 4.575 6.483 1.00 0.00 C ATOM 1582 C VAL A 104 -14.624 5.219 7.830 1.00 0.00 C ATOM 1583 O VAL A 104 -14.278 4.699 8.899 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.503 4.293 5.592 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.119 4.012 4.136 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.308 3.096 6.080 1.00 0.00 C ATOM 0 H VAL A 104 -14.088 2.494 6.697 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.659 5.273 5.908 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.102 5.201 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.020 3.821 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.597 4.876 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.467 3.140 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.163 2.940 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.678 2.207 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.660 3.283 7.094 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.284 6.371 7.805 1.00 0.00 N ATOM 1597 CA ASN A 105 -15.712 7.108 8.992 1.00 0.00 C ATOM 1598 C ASN A 105 -17.142 7.596 8.761 1.00 0.00 C ATOM 1599 O ASN A 105 -17.456 8.782 8.889 1.00 0.00 O ATOM 1600 CB ASN A 105 -14.728 8.243 9.282 1.00 0.00 C ATOM 1601 CG ASN A 105 -14.805 8.649 10.751 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -15.871 8.739 11.347 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -13.679 8.854 11.401 1.00 0.00 N ATOM 0 H ASN A 105 -15.545 6.833 6.934 1.00 0.00 H new ATOM 0 HA ASN A 105 -15.713 6.471 9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -13.714 7.926 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -14.955 9.101 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.698 9.086 12.394 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.787 8.781 10.912 1.00 0.00 H new ATOM 1610 N LYS A 106 -17.992 6.664 8.325 1.00 0.00 N ATOM 1611 CA LYS A 106 -19.391 6.892 8.011 1.00 0.00 C ATOM 1612 C LYS A 106 -20.153 5.663 8.476 1.00 0.00 C ATOM 1613 O LYS A 106 -20.101 4.629 7.807 1.00 0.00 O ATOM 1614 CB LYS A 106 -19.506 7.156 6.499 1.00 0.00 C ATOM 1615 CG LYS A 106 -20.914 7.586 6.072 1.00 0.00 C ATOM 1616 CD LYS A 106 -20.920 7.908 4.568 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.230 8.538 4.079 1.00 0.00 C ATOM 1618 NZ LYS A 106 -22.517 9.836 4.727 1.00 0.00 N ATOM 0 H LYS A 106 -17.707 5.696 8.178 1.00 0.00 H new ATOM 0 HA LYS A 106 -19.815 7.761 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.794 7.931 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.227 6.253 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -21.629 6.792 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -21.227 8.460 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.096 8.586 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.737 6.991 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.179 8.679 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -23.053 7.850 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -23.304 10.304 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -22.777 9.678 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.672 10.441 4.682 1.00 0.00 H new ATOM 1632 N SER A 107 -20.783 5.732 9.643 1.00 0.00 N ATOM 1633 CA SER A 107 -21.556 4.629 10.194 1.00 0.00 C ATOM 1634 C SER A 107 -22.830 4.446 9.360 1.00 0.00 C ATOM 1635 O SER A 107 -23.817 5.155 9.583 1.00 0.00 O ATOM 1636 CB SER A 107 -21.865 4.912 11.668 1.00 0.00 C ATOM 1637 OG SER A 107 -20.693 4.778 12.456 1.00 0.00 O ATOM 0 H SER A 107 -20.771 6.561 10.236 1.00 0.00 H new ATOM 0 HA SER A 107 -20.990 3.699 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.269 5.919 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.631 4.223 12.024 1.00 0.00 H new ATOM 0 HG SER A 107 -20.907 4.964 13.394 1.00 0.00 H new ATOM 1643 N GLN A 108 -22.799 3.540 8.374 1.00 0.00 N ATOM 1644 CA GLN A 108 -23.940 3.250 7.506 1.00 0.00 C ATOM 1645 C GLN A 108 -25.082 2.676 8.323 1.00 0.00 C ATOM 1646 O GLN A 108 -26.241 2.781 7.881 1.00 0.00 O ATOM 1647 CB GLN A 108 -23.551 2.309 6.347 1.00 0.00 C ATOM 1648 CG GLN A 108 -23.073 0.890 6.713 1.00 0.00 C ATOM 1649 CD GLN A 108 -24.188 -0.087 7.117 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -25.191 -0.257 6.425 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -24.036 -0.787 8.227 1.00 0.00 N ATOM 0 H GLN A 108 -21.972 2.984 8.157 1.00 0.00 H new ATOM 0 HA GLN A 108 -24.271 4.186 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -24.413 2.214 5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -22.761 2.792 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -22.536 0.473 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -22.360 0.964 7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -23.207 -0.652 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -24.747 -1.463 8.505 1.00 0.00 H new TER 1660 GLN A 108