USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 ASN : amide:sc= -6.84! C(o=-9.7!,f=-16!) USER MOD Set 1.2: A 17 MET CE :methyl -119:sc= -2.85 (180deg=-2.08!) USER MOD Single : A 1 ARG N :NH3+ 154:sc= -0.0496 (180deg=-0.402) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0184 (180deg=-0.246) USER MOD Single : A 6 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 7 LYS NZ :NH3+ 137:sc= -0.652 (180deg=-2.04!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.42) USER MOD Single : A 13 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=0.0021) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00253 USER MOD Single : A 20 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.1) USER MOD Single : A 22 THR OG1 : rot 36:sc= 0.0209 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.37! C(o=-4.4!,f=-13!) USER MOD Single : A 31 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.33) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.012) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.18 F(o=-1.7,f=-1.2) USER MOD Single : A 58 GLN : amide:sc= -1.99 K(o=-2,f=-4.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.7 K(o=-3.7,f=-4.4!) USER MOD Single : A 66 HIS : no HE2:sc= 0.00118 X(o=0.0012,f=-0.27) USER MOD Single : A 67 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.6!) USER MOD Single : A 70 SER OG : rot 170:sc= -0.023 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -151:sc= -0.142 (180deg=-1.34) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.19) USER MOD Single : A 81 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.13) USER MOD Single : A 83 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 18:sc= -0.389! USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 87.238 -1.100 20.602 1.00 0.00 N ATOM 2 CA ARG A 1 85.870 -0.756 20.257 1.00 0.00 C ATOM 3 C ARG A 1 85.522 -1.293 18.867 1.00 0.00 C ATOM 4 O ARG A 1 86.045 -0.813 17.863 1.00 0.00 O ATOM 5 CB ARG A 1 85.661 0.759 20.278 1.00 0.00 C ATOM 6 CG ARG A 1 86.429 1.434 19.139 1.00 0.00 C ATOM 7 CD ARG A 1 86.985 2.789 19.580 1.00 0.00 C ATOM 8 NE ARG A 1 86.080 3.875 19.144 1.00 0.00 N ATOM 9 CZ ARG A 1 85.996 5.079 19.748 1.00 0.00 C ATOM 10 NH1 ARG A 1 86.763 5.362 20.822 1.00 0.00 N ATOM 11 NH2 ARG A 1 85.151 5.976 19.273 1.00 0.00 N ATOM 0 H1 ARG A 1 87.608 -0.408 21.284 1.00 0.00 H new ATOM 0 H2 ARG A 1 87.261 -2.050 21.025 1.00 0.00 H new ATOM 0 H3 ARG A 1 87.826 -1.089 19.744 1.00 0.00 H new ATOM 0 HA ARG A 1 85.216 -1.212 21.000 1.00 0.00 H new ATOM 0 HB2 ARG A 1 84.598 0.984 20.189 1.00 0.00 H new ATOM 0 HB3 ARG A 1 85.993 1.162 21.235 1.00 0.00 H new ATOM 0 HG2 ARG A 1 87.246 0.790 18.815 1.00 0.00 H new ATOM 0 HG3 ARG A 1 85.770 1.569 18.281 1.00 0.00 H new ATOM 0 HD2 ARG A 1 87.096 2.810 20.664 1.00 0.00 H new ATOM 0 HD3 ARG A 1 87.978 2.939 19.155 1.00 0.00 H new ATOM 0 HE ARG A 1 85.482 3.703 18.336 1.00 0.00 H new ATOM 0 HH11 ARG A 1 87.413 4.663 21.183 1.00 0.00 H new ATOM 0 HH12 ARG A 1 86.693 6.275 21.272 1.00 0.00 H new ATOM 0 HH21 ARG A 1 84.574 5.754 18.462 1.00 0.00 H new ATOM 0 HH22 ARG A 1 85.075 6.891 19.718 1.00 0.00 H new ATOM 24 N LYS A 2 84.640 -2.282 18.854 1.00 0.00 N ATOM 25 CA LYS A 2 84.216 -2.890 17.604 1.00 0.00 C ATOM 26 C LYS A 2 82.972 -3.745 17.854 1.00 0.00 C ATOM 27 O LYS A 2 81.887 -3.423 17.373 1.00 0.00 O ATOM 28 CB LYS A 2 85.373 -3.659 16.963 1.00 0.00 C ATOM 29 CG LYS A 2 85.549 -3.262 15.496 1.00 0.00 C ATOM 30 CD LYS A 2 84.409 -3.813 14.638 1.00 0.00 C ATOM 31 CE LYS A 2 84.497 -3.285 13.204 1.00 0.00 C ATOM 32 NZ LYS A 2 84.193 -1.837 13.166 1.00 0.00 N ATOM 0 H LYS A 2 84.208 -2.677 19.689 1.00 0.00 H new ATOM 0 HA LYS A 2 83.936 -2.123 16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 2 86.294 -3.460 17.510 1.00 0.00 H new ATOM 0 HB3 LYS A 2 85.186 -4.730 17.034 1.00 0.00 H new ATOM 0 HG2 LYS A 2 85.581 -2.176 15.411 1.00 0.00 H new ATOM 0 HG3 LYS A 2 86.502 -3.639 15.126 1.00 0.00 H new ATOM 0 HD2 LYS A 2 84.448 -4.902 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 2 83.451 -3.531 15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 2 85.495 -3.464 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 2 83.798 -3.826 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 83.973 -1.554 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 83.375 -1.638 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 85.017 -1.300 13.505 1.00 0.00 H new ATOM 45 N LEU A 3 83.171 -4.817 18.606 1.00 0.00 N ATOM 46 CA LEU A 3 82.079 -5.721 18.925 1.00 0.00 C ATOM 47 C LEU A 3 81.485 -5.336 20.282 1.00 0.00 C ATOM 48 O LEU A 3 81.462 -6.148 21.206 1.00 0.00 O ATOM 49 CB LEU A 3 82.547 -7.175 18.849 1.00 0.00 C ATOM 50 CG LEU A 3 81.784 -8.075 17.875 1.00 0.00 C ATOM 51 CD1 LEU A 3 82.597 -8.319 16.602 1.00 0.00 C ATOM 52 CD2 LEU A 3 81.368 -9.384 18.549 1.00 0.00 C ATOM 0 H LEU A 3 84.073 -5.080 19.004 1.00 0.00 H new ATOM 0 HA LEU A 3 81.281 -5.629 18.189 1.00 0.00 H new ATOM 0 HB2 LEU A 3 83.601 -7.183 18.570 1.00 0.00 H new ATOM 0 HB3 LEU A 3 82.478 -7.611 19.846 1.00 0.00 H new ATOM 0 HG LEU A 3 80.870 -7.560 17.579 1.00 0.00 H new ATOM 0 HD11 LEU A 3 82.032 -8.962 15.927 1.00 0.00 H new ATOM 0 HD12 LEU A 3 82.800 -7.367 16.112 1.00 0.00 H new ATOM 0 HD13 LEU A 3 83.539 -8.803 16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 3 80.827 -10.005 17.835 1.00 0.00 H new ATOM 0 HD22 LEU A 3 82.256 -9.915 18.892 1.00 0.00 H new ATOM 0 HD23 LEU A 3 80.724 -9.166 19.401 1.00 0.00 H new ATOM 64 N GLU A 4 81.020 -4.098 20.359 1.00 0.00 N ATOM 65 CA GLU A 4 80.428 -3.596 21.587 1.00 0.00 C ATOM 66 C GLU A 4 80.008 -2.135 21.416 1.00 0.00 C ATOM 67 O GLU A 4 80.696 -1.229 21.884 1.00 0.00 O ATOM 68 CB GLU A 4 81.391 -3.756 22.765 1.00 0.00 C ATOM 69 CG GLU A 4 80.876 -4.802 23.756 1.00 0.00 C ATOM 70 CD GLU A 4 81.218 -4.408 25.195 1.00 0.00 C ATOM 71 OE1 GLU A 4 80.314 -4.084 25.980 1.00 0.00 O ATOM 72 OE2 GLU A 4 82.473 -4.449 25.488 1.00 0.00 O ATOM 0 H GLU A 4 81.041 -3.428 19.591 1.00 0.00 H new ATOM 0 HA GLU A 4 79.538 -4.186 21.806 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.374 -4.050 22.398 1.00 0.00 H new ATOM 0 HB3 GLU A 4 81.513 -2.799 23.272 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.796 -4.908 23.651 1.00 0.00 H new ATOM 0 HG3 GLU A 4 81.315 -5.773 23.527 1.00 0.00 H new ATOM 80 N LEU A 5 78.882 -1.951 20.743 1.00 0.00 N ATOM 81 CA LEU A 5 78.362 -0.616 20.504 1.00 0.00 C ATOM 82 C LEU A 5 76.940 -0.718 19.949 1.00 0.00 C ATOM 83 O LEU A 5 76.696 -0.381 18.791 1.00 0.00 O ATOM 84 CB LEU A 5 79.316 0.178 19.609 1.00 0.00 C ATOM 85 CG LEU A 5 78.878 1.602 19.258 1.00 0.00 C ATOM 86 CD1 LEU A 5 79.220 2.575 20.388 1.00 0.00 C ATOM 87 CD2 LEU A 5 79.475 2.045 17.921 1.00 0.00 C ATOM 0 H LEU A 5 78.315 -2.705 20.355 1.00 0.00 H new ATOM 0 HA LEU A 5 78.300 -0.059 21.439 1.00 0.00 H new ATOM 0 HB2 LEU A 5 80.287 0.229 20.102 1.00 0.00 H new ATOM 0 HB3 LEU A 5 79.458 -0.376 18.681 1.00 0.00 H new ATOM 0 HG LEU A 5 77.794 1.608 19.145 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.898 3.579 20.113 1.00 0.00 H new ATOM 0 HD12 LEU A 5 78.709 2.267 21.300 1.00 0.00 H new ATOM 0 HD13 LEU A 5 80.297 2.572 20.557 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.148 3.060 17.695 1.00 0.00 H new ATOM 0 HD22 LEU A 5 80.563 2.019 17.982 1.00 0.00 H new ATOM 0 HD23 LEU A 5 79.140 1.372 17.132 1.00 0.00 H new ATOM 99 N THR A 6 76.038 -1.183 20.801 1.00 0.00 N ATOM 100 CA THR A 6 74.647 -1.334 20.411 1.00 0.00 C ATOM 101 C THR A 6 74.550 -1.866 18.980 1.00 0.00 C ATOM 102 O THR A 6 74.117 -1.152 18.076 1.00 0.00 O ATOM 103 CB THR A 6 73.952 0.015 20.606 1.00 0.00 C ATOM 104 OG1 THR A 6 72.716 -0.128 19.913 1.00 0.00 O ATOM 105 CG2 THR A 6 74.663 1.152 19.869 1.00 0.00 C ATOM 0 H THR A 6 76.244 -1.460 21.761 1.00 0.00 H new ATOM 0 HA THR A 6 74.139 -2.070 21.034 1.00 0.00 H new ATOM 0 HB THR A 6 73.902 0.247 21.670 1.00 0.00 H new ATOM 0 HG1 THR A 6 72.885 -0.171 18.949 1.00 0.00 H new ATOM 0 HG21 THR A 6 74.129 2.087 20.040 1.00 0.00 H new ATOM 0 HG22 THR A 6 75.684 1.244 20.240 1.00 0.00 H new ATOM 0 HG23 THR A 6 74.683 0.937 18.801 1.00 0.00 H new ATOM 113 N LYS A 7 74.959 -3.116 18.818 1.00 0.00 N ATOM 114 CA LYS A 7 74.923 -3.752 17.512 1.00 0.00 C ATOM 115 C LYS A 7 73.472 -3.850 17.037 1.00 0.00 C ATOM 116 O LYS A 7 72.617 -4.378 17.746 1.00 0.00 O ATOM 117 CB LYS A 7 75.650 -5.098 17.551 1.00 0.00 C ATOM 118 CG LYS A 7 75.030 -6.025 18.600 1.00 0.00 C ATOM 119 CD LYS A 7 73.875 -6.832 18.004 1.00 0.00 C ATOM 120 CE LYS A 7 74.338 -8.233 17.598 1.00 0.00 C ATOM 121 NZ LYS A 7 73.197 -9.030 17.093 1.00 0.00 N ATOM 0 H LYS A 7 75.317 -3.705 19.570 1.00 0.00 H new ATOM 0 HA LYS A 7 75.458 -3.148 16.779 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.602 -5.570 16.570 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.704 -4.940 17.778 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.791 -6.703 18.986 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.670 -5.436 19.444 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.067 -6.909 18.731 1.00 0.00 H new ATOM 0 HD3 LYS A 7 73.473 -6.311 17.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.107 -8.160 16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.790 -8.735 18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 73.489 -9.554 16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 72.891 -9.702 17.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 72.408 -8.395 16.855 1.00 0.00 H new ATOM 134 N ALA A 8 73.239 -3.332 15.839 1.00 0.00 N ATOM 135 CA ALA A 8 71.906 -3.355 15.261 1.00 0.00 C ATOM 136 C ALA A 8 71.772 -4.574 14.346 1.00 0.00 C ATOM 137 O ALA A 8 72.593 -4.777 13.452 1.00 0.00 O ATOM 138 CB ALA A 8 71.648 -2.040 14.522 1.00 0.00 C ATOM 0 H ALA A 8 73.951 -2.894 15.254 1.00 0.00 H new ATOM 0 HA ALA A 8 71.151 -3.445 16.042 1.00 0.00 H new ATOM 0 HB1 ALA A 8 70.648 -2.057 14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 8 71.726 -1.208 15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 8 72.386 -1.918 13.729 1.00 0.00 H new ATOM 144 N GLU A 9 70.732 -5.354 14.601 1.00 0.00 N ATOM 145 CA GLU A 9 70.480 -6.547 13.812 1.00 0.00 C ATOM 146 C GLU A 9 68.980 -6.707 13.555 1.00 0.00 C ATOM 147 O GLU A 9 68.530 -7.769 13.128 1.00 0.00 O ATOM 148 CB GLU A 9 71.055 -7.789 14.496 1.00 0.00 C ATOM 149 CG GLU A 9 72.370 -8.217 13.842 1.00 0.00 C ATOM 150 CD GLU A 9 72.187 -9.503 13.034 1.00 0.00 C ATOM 151 OE1 GLU A 9 71.126 -9.707 12.425 1.00 0.00 O ATOM 152 OE2 GLU A 9 73.196 -10.306 13.050 1.00 0.00 O ATOM 0 H GLU A 9 70.054 -5.183 15.343 1.00 0.00 H new ATOM 0 HA GLU A 9 70.983 -6.436 12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 9 71.221 -7.582 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 9 70.335 -8.605 14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 9 72.732 -7.422 13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 73.129 -8.370 14.609 1.00 0.00 H new ATOM 160 N LYS A 10 68.249 -5.636 13.826 1.00 0.00 N ATOM 161 CA LYS A 10 66.809 -5.645 13.630 1.00 0.00 C ATOM 162 C LYS A 10 66.444 -4.655 12.522 1.00 0.00 C ATOM 163 O LYS A 10 65.532 -4.906 11.736 1.00 0.00 O ATOM 164 CB LYS A 10 66.086 -5.381 14.952 1.00 0.00 C ATOM 165 CG LYS A 10 66.632 -4.124 15.634 1.00 0.00 C ATOM 166 CD LYS A 10 65.528 -3.394 16.401 1.00 0.00 C ATOM 167 CE LYS A 10 65.100 -4.189 17.636 1.00 0.00 C ATOM 168 NZ LYS A 10 64.346 -3.326 18.573 1.00 0.00 N ATOM 0 H LYS A 10 68.626 -4.757 14.179 1.00 0.00 H new ATOM 0 HA LYS A 10 66.476 -6.630 13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 10 65.018 -5.265 14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 10 66.205 -6.239 15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 10 67.436 -4.397 16.318 1.00 0.00 H new ATOM 0 HG3 LYS A 10 67.062 -3.458 14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 10 65.881 -2.408 16.703 1.00 0.00 H new ATOM 0 HD3 LYS A 10 64.669 -3.239 15.749 1.00 0.00 H new ATOM 0 HE2 LYS A 10 64.483 -5.035 17.335 1.00 0.00 H new ATOM 0 HE3 LYS A 10 65.979 -4.597 18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 64.063 -3.881 19.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 64.947 -2.532 18.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 63.497 -2.957 18.099 1.00 0.00 H new ATOM 181 N HIS A 11 67.175 -3.551 12.494 1.00 0.00 N ATOM 182 CA HIS A 11 66.940 -2.522 11.495 1.00 0.00 C ATOM 183 C HIS A 11 65.668 -1.747 11.846 1.00 0.00 C ATOM 184 O HIS A 11 65.093 -1.943 12.915 1.00 0.00 O ATOM 185 CB HIS A 11 66.897 -3.128 10.091 1.00 0.00 C ATOM 186 CG HIS A 11 68.007 -2.655 9.183 1.00 0.00 C ATOM 187 ND1 HIS A 11 68.414 -1.333 9.123 1.00 0.00 N ATOM 188 CD2 HIS A 11 68.791 -3.340 8.302 1.00 0.00 C ATOM 189 CE1 HIS A 11 69.398 -1.239 8.241 1.00 0.00 C ATOM 190 NE2 HIS A 11 69.630 -2.483 7.732 1.00 0.00 N ATOM 0 H HIS A 11 67.931 -3.346 13.147 1.00 0.00 H new ATOM 0 HA HIS A 11 67.768 -1.813 11.496 1.00 0.00 H new ATOM 0 HB2 HIS A 11 66.947 -4.214 10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 11 65.938 -2.887 9.632 1.00 0.00 H new ATOM 0 HD2 HIS A 11 68.738 -4.400 8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 11 69.925 -0.335 7.972 1.00 0.00 H new ATOM 0 HE2 HIS A 11 70.332 -2.716 7.030 1.00 0.00 H new ATOM 198 N VAL A 12 65.267 -0.884 10.925 1.00 0.00 N ATOM 199 CA VAL A 12 64.074 -0.078 11.123 1.00 0.00 C ATOM 200 C VAL A 12 62.841 -0.895 10.730 1.00 0.00 C ATOM 201 O VAL A 12 62.328 -0.756 9.621 1.00 0.00 O ATOM 202 CB VAL A 12 64.194 1.234 10.346 1.00 0.00 C ATOM 203 CG1 VAL A 12 65.187 2.182 11.022 1.00 0.00 C ATOM 204 CG2 VAL A 12 64.585 0.976 8.890 1.00 0.00 C ATOM 0 H VAL A 12 65.747 -0.725 10.039 1.00 0.00 H new ATOM 0 HA VAL A 12 63.965 0.191 12.174 1.00 0.00 H new ATOM 0 HB VAL A 12 63.216 1.716 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 12 65.254 3.107 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 64.847 2.405 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 66.169 1.710 11.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 64.663 1.926 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 65.545 0.462 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 12 63.825 0.357 8.414 1.00 0.00 H new ATOM 214 N HIS A 13 62.402 -1.729 11.661 1.00 0.00 N ATOM 215 CA HIS A 13 61.239 -2.568 11.426 1.00 0.00 C ATOM 216 C HIS A 13 60.020 -1.964 12.126 1.00 0.00 C ATOM 217 O HIS A 13 59.056 -1.571 11.471 1.00 0.00 O ATOM 218 CB HIS A 13 61.515 -4.011 11.855 1.00 0.00 C ATOM 219 CG HIS A 13 61.870 -4.934 10.714 1.00 0.00 C ATOM 220 ND1 HIS A 13 60.992 -5.879 10.213 1.00 0.00 N ATOM 221 CD2 HIS A 13 63.015 -5.046 9.981 1.00 0.00 C ATOM 222 CE1 HIS A 13 61.592 -6.526 9.224 1.00 0.00 C ATOM 223 NE2 HIS A 13 62.846 -6.008 9.083 1.00 0.00 N ATOM 0 H HIS A 13 62.831 -1.842 12.580 1.00 0.00 H new ATOM 0 HA HIS A 13 61.021 -2.603 10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 13 62.330 -4.014 12.579 1.00 0.00 H new ATOM 0 HB3 HIS A 13 60.635 -4.402 12.365 1.00 0.00 H new ATOM 0 HD2 HIS A 13 63.908 -4.452 10.110 1.00 0.00 H new ATOM 0 HE1 HIS A 13 61.164 -7.323 8.634 1.00 0.00 H new ATOM 0 HE2 HIS A 13 63.540 -6.311 8.399 1.00 0.00 H new ATOM 231 N ASN A 14 60.103 -1.909 13.447 1.00 0.00 N ATOM 232 CA ASN A 14 59.019 -1.360 14.243 1.00 0.00 C ATOM 233 C ASN A 14 59.476 -1.228 15.697 1.00 0.00 C ATOM 234 O ASN A 14 59.259 -2.131 16.504 1.00 0.00 O ATOM 235 CB ASN A 14 57.795 -2.277 14.213 1.00 0.00 C ATOM 236 CG ASN A 14 56.860 -1.906 13.060 1.00 0.00 C ATOM 237 OD1 ASN A 14 56.915 -0.821 12.506 1.00 0.00 O ATOM 238 ND2 ASN A 14 56.000 -2.866 12.730 1.00 0.00 N ATOM 0 H ASN A 14 60.905 -2.236 13.986 1.00 0.00 H new ATOM 0 HA ASN A 14 58.752 -0.389 13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 14 58.115 -3.314 14.107 1.00 0.00 H new ATOM 0 HB3 ASN A 14 57.258 -2.204 15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.334 -2.716 11.972 1.00 0.00 H new ATOM 0 HD22 ASN A 14 56.007 -3.752 13.235 1.00 0.00 H new ATOM 245 N PHE A 15 60.099 -0.095 15.987 1.00 0.00 N ATOM 246 CA PHE A 15 60.588 0.167 17.330 1.00 0.00 C ATOM 247 C PHE A 15 59.490 0.778 18.204 1.00 0.00 C ATOM 248 O PHE A 15 59.069 0.175 19.190 1.00 0.00 O ATOM 249 CB PHE A 15 61.737 1.169 17.200 1.00 0.00 C ATOM 250 CG PHE A 15 62.386 1.548 18.533 1.00 0.00 C ATOM 251 CD1 PHE A 15 62.837 0.575 19.370 1.00 0.00 C ATOM 252 CD2 PHE A 15 62.511 2.856 18.881 1.00 0.00 C ATOM 253 CE1 PHE A 15 63.439 0.927 20.608 1.00 0.00 C ATOM 254 CE2 PHE A 15 63.113 3.208 20.118 1.00 0.00 C ATOM 255 CZ PHE A 15 63.565 2.236 20.955 1.00 0.00 C ATOM 0 H PHE A 15 60.276 0.652 15.315 1.00 0.00 H new ATOM 0 HA PHE A 15 60.911 -0.764 17.797 1.00 0.00 H new ATOM 0 HB2 PHE A 15 62.499 0.749 16.543 1.00 0.00 H new ATOM 0 HB3 PHE A 15 61.364 2.073 16.719 1.00 0.00 H new ATOM 0 HD1 PHE A 15 62.738 -0.464 19.094 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.152 3.628 18.216 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.797 0.155 21.273 1.00 0.00 H new ATOM 0 HE2 PHE A 15 63.212 4.247 20.394 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.024 2.504 21.895 1.00 0.00 H new ATOM 265 N MET A 16 59.059 1.967 17.810 1.00 0.00 N ATOM 266 CA MET A 16 58.019 2.666 18.545 1.00 0.00 C ATOM 267 C MET A 16 56.754 2.815 17.697 1.00 0.00 C ATOM 268 O MET A 16 56.229 3.917 17.547 1.00 0.00 O ATOM 269 CB MET A 16 58.525 4.051 18.954 1.00 0.00 C ATOM 270 CG MET A 16 58.978 4.852 17.732 1.00 0.00 C ATOM 271 SD MET A 16 58.824 6.601 18.057 1.00 0.00 S ATOM 272 CE MET A 16 60.077 7.233 16.954 1.00 0.00 C ATOM 0 H MET A 16 59.411 2.464 16.992 1.00 0.00 H new ATOM 0 HA MET A 16 57.773 2.083 19.432 1.00 0.00 H new ATOM 0 HB2 MET A 16 57.735 4.592 19.475 1.00 0.00 H new ATOM 0 HB3 MET A 16 59.355 3.947 19.653 1.00 0.00 H new ATOM 0 HG2 MET A 16 60.013 4.608 17.490 1.00 0.00 H new ATOM 0 HG3 MET A 16 58.376 4.580 16.865 1.00 0.00 H new ATOM 0 HE1 MET A 16 60.115 8.320 17.031 1.00 0.00 H new ATOM 0 HE2 MET A 16 61.046 6.816 17.227 1.00 0.00 H new ATOM 0 HE3 MET A 16 59.836 6.950 15.929 1.00 0.00 H new ATOM 282 N MET A 17 56.301 1.690 17.165 1.00 0.00 N ATOM 283 CA MET A 17 55.108 1.681 16.335 1.00 0.00 C ATOM 284 C MET A 17 54.846 0.285 15.767 1.00 0.00 C ATOM 285 O MET A 17 55.703 -0.287 15.096 1.00 0.00 O ATOM 286 CB MET A 17 55.277 2.677 15.187 1.00 0.00 C ATOM 287 CG MET A 17 56.757 2.946 14.907 1.00 0.00 C ATOM 288 SD MET A 17 56.985 3.380 13.191 1.00 0.00 S ATOM 289 CE MET A 17 56.395 1.887 12.412 1.00 0.00 C ATOM 0 H MET A 17 56.739 0.777 17.292 1.00 0.00 H new ATOM 0 HA MET A 17 54.256 1.967 16.952 1.00 0.00 H new ATOM 0 HB2 MET A 17 54.799 2.287 14.289 1.00 0.00 H new ATOM 0 HB3 MET A 17 54.774 3.612 15.435 1.00 0.00 H new ATOM 0 HG2 MET A 17 57.115 3.753 15.545 1.00 0.00 H new ATOM 0 HG3 MET A 17 57.348 2.062 15.149 1.00 0.00 H new ATOM 0 HE1 MET A 17 57.200 1.438 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 17 56.065 1.184 13.177 1.00 0.00 H new ATOM 0 HE3 MET A 17 55.560 2.126 11.753 1.00 0.00 H new ATOM 299 N ASP A 18 53.657 -0.223 16.056 1.00 0.00 N ATOM 300 CA ASP A 18 53.270 -1.541 15.582 1.00 0.00 C ATOM 301 C ASP A 18 51.887 -1.892 16.133 1.00 0.00 C ATOM 302 O ASP A 18 51.775 -2.573 17.151 1.00 0.00 O ATOM 303 CB ASP A 18 54.255 -2.609 16.061 1.00 0.00 C ATOM 304 CG ASP A 18 54.717 -2.458 17.512 1.00 0.00 C ATOM 305 OD1 ASP A 18 53.962 -1.990 18.377 1.00 0.00 O ATOM 306 OD2 ASP A 18 55.924 -2.851 17.744 1.00 0.00 O ATOM 0 H ASP A 18 52.948 0.255 16.613 1.00 0.00 H new ATOM 0 HA ASP A 18 53.263 -1.519 14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 53.791 -3.588 15.943 1.00 0.00 H new ATOM 0 HB3 ASP A 18 55.131 -2.591 15.413 1.00 0.00 H new ATOM 312 N THR A 19 50.868 -1.411 15.436 1.00 0.00 N ATOM 313 CA THR A 19 49.497 -1.665 15.843 1.00 0.00 C ATOM 314 C THR A 19 48.763 -2.472 14.770 1.00 0.00 C ATOM 315 O THR A 19 47.950 -3.339 15.088 1.00 0.00 O ATOM 316 CB THR A 19 48.837 -0.319 16.148 1.00 0.00 C ATOM 317 OG1 THR A 19 48.962 0.413 14.931 1.00 0.00 O ATOM 318 CG2 THR A 19 49.631 0.507 17.162 1.00 0.00 C ATOM 0 H THR A 19 50.965 -0.847 14.592 1.00 0.00 H new ATOM 0 HA THR A 19 49.459 -2.274 16.746 1.00 0.00 H new ATOM 0 HB THR A 19 47.829 -0.487 16.527 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.558 1.299 15.039 1.00 0.00 H new ATOM 0 HG21 THR A 19 49.119 1.452 17.342 1.00 0.00 H new ATOM 0 HG22 THR A 19 49.712 -0.046 18.098 1.00 0.00 H new ATOM 0 HG23 THR A 19 50.628 0.704 16.769 1.00 0.00 H new ATOM 326 N GLN A 20 49.076 -2.159 13.522 1.00 0.00 N ATOM 327 CA GLN A 20 48.457 -2.845 12.400 1.00 0.00 C ATOM 328 C GLN A 20 49.084 -2.382 11.084 1.00 0.00 C ATOM 329 O GLN A 20 48.429 -1.719 10.280 1.00 0.00 O ATOM 330 CB GLN A 20 46.942 -2.627 12.393 1.00 0.00 C ATOM 331 CG GLN A 20 46.603 -1.141 12.258 1.00 0.00 C ATOM 332 CD GLN A 20 45.653 -0.900 11.082 1.00 0.00 C ATOM 333 OE1 GLN A 20 44.559 -1.436 11.014 1.00 0.00 O ATOM 334 NE2 GLN A 20 46.131 -0.067 10.163 1.00 0.00 N ATOM 0 H GLN A 20 49.750 -1.439 13.262 1.00 0.00 H new ATOM 0 HA GLN A 20 48.637 -3.915 12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 20 46.495 -3.182 11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 20 46.510 -3.020 13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 46.144 -0.784 13.180 1.00 0.00 H new ATOM 0 HG3 GLN A 20 47.518 -0.567 12.114 1.00 0.00 H new ATOM 0 HE21 GLN A 20 47.055 0.347 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 20 45.573 0.158 9.339 1.00 0.00 H new ATOM 343 N LEU A 21 50.344 -2.749 10.903 1.00 0.00 N ATOM 344 CA LEU A 21 51.066 -2.381 9.698 1.00 0.00 C ATOM 345 C LEU A 21 50.561 -3.226 8.527 1.00 0.00 C ATOM 346 O LEU A 21 51.309 -4.025 7.966 1.00 0.00 O ATOM 347 CB LEU A 21 52.575 -2.484 9.925 1.00 0.00 C ATOM 348 CG LEU A 21 53.109 -3.878 10.261 1.00 0.00 C ATOM 349 CD1 LEU A 21 54.478 -4.111 9.618 1.00 0.00 C ATOM 350 CD2 LEU A 21 53.141 -4.103 11.774 1.00 0.00 C ATOM 0 H LEU A 21 50.884 -3.298 11.572 1.00 0.00 H new ATOM 0 HA LEU A 21 50.876 -1.338 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 21 53.082 -2.129 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 52.848 -1.807 10.735 1.00 0.00 H new ATOM 0 HG LEU A 21 52.426 -4.616 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 21 54.834 -5.109 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 21 54.391 -4.022 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 21 55.185 -3.368 9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 21 53.524 -5.101 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 21 53.789 -3.360 12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 21 52.133 -4.009 12.177 1.00 0.00 H new ATOM 362 N THR A 22 49.295 -3.020 8.193 1.00 0.00 N ATOM 363 CA THR A 22 48.681 -3.753 7.099 1.00 0.00 C ATOM 364 C THR A 22 47.781 -2.829 6.276 1.00 0.00 C ATOM 365 O THR A 22 46.777 -2.327 6.779 1.00 0.00 O ATOM 366 CB THR A 22 47.941 -4.954 7.691 1.00 0.00 C ATOM 367 OG1 THR A 22 48.842 -6.043 7.509 1.00 0.00 O ATOM 368 CG2 THR A 22 46.711 -5.347 6.870 1.00 0.00 C ATOM 0 H THR A 22 48.678 -2.356 8.661 1.00 0.00 H new ATOM 0 HA THR A 22 49.432 -4.127 6.403 1.00 0.00 H new ATOM 0 HB THR A 22 47.638 -4.725 8.713 1.00 0.00 H new ATOM 0 HG1 THR A 22 49.763 -5.729 7.627 1.00 0.00 H new ATOM 0 HG21 THR A 22 46.223 -6.204 7.334 1.00 0.00 H new ATOM 0 HG22 THR A 22 46.015 -4.509 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 22 47.018 -5.608 5.857 1.00 0.00 H new ATOM 376 N LYS A 23 48.173 -2.634 5.026 1.00 0.00 N ATOM 377 CA LYS A 23 47.415 -1.779 4.129 1.00 0.00 C ATOM 378 C LYS A 23 47.469 -2.357 2.713 1.00 0.00 C ATOM 379 O LYS A 23 48.362 -3.140 2.393 1.00 0.00 O ATOM 380 CB LYS A 23 47.907 -0.333 4.223 1.00 0.00 C ATOM 381 CG LYS A 23 49.190 -0.137 3.413 1.00 0.00 C ATOM 382 CD LYS A 23 50.305 0.443 4.285 1.00 0.00 C ATOM 383 CE LYS A 23 50.268 1.972 4.277 1.00 0.00 C ATOM 384 NZ LYS A 23 49.960 2.491 5.628 1.00 0.00 N ATOM 0 H LYS A 23 49.006 -3.054 4.613 1.00 0.00 H new ATOM 0 HA LYS A 23 46.366 -1.754 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 23 47.134 0.342 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.088 -0.074 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 23 49.510 -1.091 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.996 0.530 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 23 50.199 0.078 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 23 51.273 0.097 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 23 51.229 2.363 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 23 49.517 2.320 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 49.939 3.531 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 49.033 2.133 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 50.691 2.175 6.296 1.00 0.00 H new ATOM 397 N ARG A 24 46.504 -1.947 1.904 1.00 0.00 N ATOM 398 CA ARG A 24 46.431 -2.414 0.530 1.00 0.00 C ATOM 399 C ARG A 24 46.303 -1.228 -0.428 1.00 0.00 C ATOM 400 O ARG A 24 45.835 -0.160 -0.040 1.00 0.00 O ATOM 401 CB ARG A 24 45.239 -3.353 0.330 1.00 0.00 C ATOM 402 CG ARG A 24 43.917 -2.587 0.419 1.00 0.00 C ATOM 403 CD ARG A 24 42.902 -3.343 1.279 1.00 0.00 C ATOM 404 NE ARG A 24 42.108 -4.262 0.434 1.00 0.00 N ATOM 405 CZ ARG A 24 40.971 -3.911 -0.205 1.00 0.00 C ATOM 406 NH1 ARG A 24 40.486 -2.655 -0.100 1.00 0.00 N ATOM 407 NH2 ARG A 24 40.342 -4.814 -0.934 1.00 0.00 N ATOM 0 H ARG A 24 45.766 -1.297 2.173 1.00 0.00 H new ATOM 0 HA ARG A 24 47.350 -2.960 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.316 -3.842 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 24 45.260 -4.139 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 24 44.093 -1.598 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 24 43.511 -2.437 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 24 43.419 -3.906 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 24 42.242 -2.637 1.782 1.00 0.00 H new ATOM 0 HE ARG A 24 42.440 -5.221 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 24 40.979 -1.964 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 24 39.627 -2.398 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 24 40.716 -5.760 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 24 39.482 -4.566 -1.423 1.00 0.00 H new ATOM 420 N VAL A 25 46.729 -1.457 -1.662 1.00 0.00 N ATOM 421 CA VAL A 25 46.669 -0.420 -2.678 1.00 0.00 C ATOM 422 C VAL A 25 47.008 0.930 -2.044 1.00 0.00 C ATOM 423 O VAL A 25 46.502 1.966 -2.472 1.00 0.00 O ATOM 424 CB VAL A 25 45.299 -0.434 -3.359 1.00 0.00 C ATOM 425 CG1 VAL A 25 44.670 -1.827 -3.298 1.00 0.00 C ATOM 426 CG2 VAL A 25 44.370 0.615 -2.743 1.00 0.00 C ATOM 0 H VAL A 25 47.117 -2.345 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 25 47.407 -0.606 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 25 45.444 -0.178 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 25 43.697 -1.809 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 25 45.319 -2.542 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 25 44.545 -2.125 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 25 43.403 0.584 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.235 0.404 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 25 44.809 1.605 -2.863 1.00 0.00 H new ATOM 436 N LYS A 26 47.863 0.875 -1.033 1.00 0.00 N ATOM 437 CA LYS A 26 48.276 2.081 -0.336 1.00 0.00 C ATOM 438 C LYS A 26 47.106 2.610 0.497 1.00 0.00 C ATOM 439 O LYS A 26 46.644 3.729 0.283 1.00 0.00 O ATOM 440 CB LYS A 26 48.840 3.105 -1.323 1.00 0.00 C ATOM 441 CG LYS A 26 49.863 4.017 -0.643 1.00 0.00 C ATOM 442 CD LYS A 26 51.019 3.204 -0.058 1.00 0.00 C ATOM 443 CE LYS A 26 52.359 3.899 -0.307 1.00 0.00 C ATOM 444 NZ LYS A 26 53.003 3.363 -1.527 1.00 0.00 N ATOM 0 H LYS A 26 48.281 0.014 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 26 49.088 1.860 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 26 49.308 2.588 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 26 48.028 3.706 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 26 50.249 4.738 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 26 49.377 4.587 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 26 50.868 3.070 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 26 51.032 2.210 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 26 52.204 4.973 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 26 53.015 3.754 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 53.911 3.846 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 53.168 2.343 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 52.383 3.523 -2.346 1.00 0.00 H new ATOM 457 N ASN A 27 46.661 1.778 1.427 1.00 0.00 N ATOM 458 CA ASN A 27 45.554 2.148 2.293 1.00 0.00 C ATOM 459 C ASN A 27 44.233 1.819 1.593 1.00 0.00 C ATOM 460 O ASN A 27 43.348 1.206 2.187 1.00 0.00 O ATOM 461 CB ASN A 27 45.567 3.648 2.595 1.00 0.00 C ATOM 462 CG ASN A 27 44.967 3.935 3.973 1.00 0.00 C ATOM 463 OD1 ASN A 27 44.050 4.724 4.126 1.00 0.00 O ATOM 464 ND2 ASN A 27 45.534 3.252 4.963 1.00 0.00 N ATOM 0 H ASN A 27 47.046 0.850 1.600 1.00 0.00 H new ATOM 0 HA ASN A 27 45.655 1.592 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.590 4.022 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 27 45.002 4.181 1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 27 45.204 3.373 5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 27 46.299 2.607 4.765 1.00 0.00 H new ATOM 471 N ALA A 28 44.143 2.241 0.341 1.00 0.00 N ATOM 472 CA ALA A 28 42.946 1.999 -0.446 1.00 0.00 C ATOM 473 C ALA A 28 41.816 2.897 0.062 1.00 0.00 C ATOM 474 O ALA A 28 41.259 3.689 -0.697 1.00 0.00 O ATOM 475 CB ALA A 28 42.584 0.514 -0.381 1.00 0.00 C ATOM 0 H ALA A 28 44.880 2.749 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 28 43.119 2.247 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.686 0.332 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.407 -0.079 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 28 42.401 0.229 0.655 1.00 0.00 H new ATOM 481 N ALA A 29 41.512 2.744 1.342 1.00 0.00 N ATOM 482 CA ALA A 29 40.459 3.531 1.961 1.00 0.00 C ATOM 483 C ALA A 29 40.393 3.203 3.454 1.00 0.00 C ATOM 484 O ALA A 29 39.483 2.506 3.900 1.00 0.00 O ATOM 485 CB ALA A 29 39.134 3.263 1.246 1.00 0.00 C ATOM 0 H ALA A 29 41.977 2.086 1.968 1.00 0.00 H new ATOM 0 HA ALA A 29 40.670 4.596 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 29 38.344 3.853 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 29 39.225 3.540 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.888 2.204 1.322 1.00 0.00 H new ATOM 491 N ALA A 30 41.369 3.721 4.185 1.00 0.00 N ATOM 492 CA ALA A 30 41.433 3.492 5.618 1.00 0.00 C ATOM 493 C ALA A 30 40.022 3.563 6.205 1.00 0.00 C ATOM 494 O ALA A 30 39.571 2.624 6.860 1.00 0.00 O ATOM 495 CB ALA A 30 42.381 4.510 6.256 1.00 0.00 C ATOM 0 H ALA A 30 42.122 4.299 3.811 1.00 0.00 H new ATOM 0 HA ALA A 30 41.829 2.499 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.429 4.338 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.376 4.399 5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.014 5.518 6.066 1.00 0.00 H new ATOM 501 N ASN A 31 39.364 4.684 5.949 1.00 0.00 N ATOM 502 CA ASN A 31 38.014 4.889 6.444 1.00 0.00 C ATOM 503 C ASN A 31 37.438 6.165 5.827 1.00 0.00 C ATOM 504 O ASN A 31 36.667 6.877 6.470 1.00 0.00 O ATOM 505 CB ASN A 31 38.003 5.053 7.965 1.00 0.00 C ATOM 506 CG ASN A 31 37.799 3.705 8.660 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.754 3.083 8.570 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.854 3.291 9.356 1.00 0.00 N ATOM 0 H ASN A 31 39.741 5.460 5.405 1.00 0.00 H new ATOM 0 HA ASN A 31 37.419 4.017 6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.943 5.497 8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.208 5.740 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.818 2.403 9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.699 3.862 9.389 1.00 0.00 H new ATOM 515 N VAL A 32 37.833 6.416 4.588 1.00 0.00 N ATOM 516 CA VAL A 32 37.366 7.594 3.877 1.00 0.00 C ATOM 517 C VAL A 32 37.368 8.793 4.828 1.00 0.00 C ATOM 518 O VAL A 32 36.587 9.727 4.657 1.00 0.00 O ATOM 519 CB VAL A 32 35.992 7.323 3.261 1.00 0.00 C ATOM 520 CG1 VAL A 32 35.135 6.461 4.190 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.278 8.631 2.914 1.00 0.00 C ATOM 0 H VAL A 32 38.472 5.823 4.058 1.00 0.00 H new ATOM 0 HA VAL A 32 38.037 7.832 3.051 1.00 0.00 H new ATOM 0 HB VAL A 32 36.144 6.769 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.164 6.283 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 32 35.634 5.508 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.996 6.977 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.304 8.409 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.144 9.224 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.877 9.193 2.198 1.00 0.00 H new ATOM 531 N LEU A 33 38.256 8.727 5.809 1.00 0.00 N ATOM 532 CA LEU A 33 38.371 9.795 6.787 1.00 0.00 C ATOM 533 C LEU A 33 36.984 10.381 7.062 1.00 0.00 C ATOM 534 O LEU A 33 36.725 11.544 6.756 1.00 0.00 O ATOM 535 CB LEU A 33 39.397 10.834 6.329 1.00 0.00 C ATOM 536 CG LEU A 33 40.171 11.547 7.439 1.00 0.00 C ATOM 537 CD1 LEU A 33 41.628 11.777 7.031 1.00 0.00 C ATOM 538 CD2 LEU A 33 39.477 12.849 7.843 1.00 0.00 C ATOM 0 H LEU A 33 38.903 7.950 5.947 1.00 0.00 H new ATOM 0 HA LEU A 33 38.747 9.405 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.114 10.342 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.881 11.586 5.732 1.00 0.00 H new ATOM 0 HG LEU A 33 40.180 10.901 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 42.156 12.285 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.106 10.818 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.661 12.392 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.048 13.336 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.415 13.511 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.472 12.629 8.204 1.00 0.00 H new ATOM 550 N ARG A 34 36.128 9.547 7.635 1.00 0.00 N ATOM 551 CA ARG A 34 34.774 9.968 7.954 1.00 0.00 C ATOM 552 C ARG A 34 33.850 8.752 8.052 1.00 0.00 C ATOM 553 O ARG A 34 32.819 8.804 8.721 1.00 0.00 O ATOM 554 CB ARG A 34 34.231 10.928 6.894 1.00 0.00 C ATOM 555 CG ARG A 34 32.702 10.953 6.909 1.00 0.00 C ATOM 556 CD ARG A 34 32.170 12.281 6.368 1.00 0.00 C ATOM 557 NE ARG A 34 30.756 12.461 6.766 1.00 0.00 N ATOM 558 CZ ARG A 34 29.871 13.227 6.094 1.00 0.00 C ATOM 559 NH1 ARG A 34 30.248 13.893 4.982 1.00 0.00 N ATOM 560 NH2 ARG A 34 28.632 13.316 6.540 1.00 0.00 N ATOM 0 H ARG A 34 36.346 8.583 7.886 1.00 0.00 H new ATOM 0 HA ARG A 34 34.805 10.484 8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.616 11.931 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.584 10.624 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.315 10.130 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.342 10.801 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.772 13.106 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 34 32.256 12.301 5.282 1.00 0.00 H new ATOM 0 HE ARG A 34 30.429 11.975 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 34 31.208 13.819 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 29.573 14.470 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 34 28.355 12.810 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 34 27.951 13.891 6.043 1.00 0.00 H new ATOM 573 N GLU A 35 34.254 7.686 7.376 1.00 0.00 N ATOM 574 CA GLU A 35 33.475 6.460 7.379 1.00 0.00 C ATOM 575 C GLU A 35 32.094 6.706 6.768 1.00 0.00 C ATOM 576 O GLU A 35 31.086 6.678 7.473 1.00 0.00 O ATOM 577 CB GLU A 35 33.355 5.889 8.794 1.00 0.00 C ATOM 578 CG GLU A 35 34.633 6.141 9.597 1.00 0.00 C ATOM 579 CD GLU A 35 34.438 5.771 11.068 1.00 0.00 C ATOM 580 OE1 GLU A 35 33.359 5.292 11.449 1.00 0.00 O ATOM 581 OE2 GLU A 35 35.456 5.997 11.827 1.00 0.00 O ATOM 0 H GLU A 35 35.110 7.646 6.823 1.00 0.00 H new ATOM 0 HA GLU A 35 33.995 5.722 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.506 6.345 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 35 33.159 4.818 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.452 5.557 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.916 7.191 9.517 1.00 0.00 H new ATOM 589 N THR A 36 32.092 6.943 5.465 1.00 0.00 N ATOM 590 CA THR A 36 30.852 7.195 4.751 1.00 0.00 C ATOM 591 C THR A 36 30.177 5.875 4.372 1.00 0.00 C ATOM 592 O THR A 36 28.965 5.828 4.174 1.00 0.00 O ATOM 593 CB THR A 36 31.171 8.082 3.547 1.00 0.00 C ATOM 594 OG1 THR A 36 29.933 8.724 3.251 1.00 0.00 O ATOM 595 CG2 THR A 36 31.480 7.271 2.287 1.00 0.00 C ATOM 0 H THR A 36 32.930 6.966 4.884 1.00 0.00 H new ATOM 0 HA THR A 36 30.134 7.722 5.379 1.00 0.00 H new ATOM 0 HB THR A 36 32.021 8.723 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.049 9.320 2.482 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.699 7.949 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.343 6.630 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 36 30.618 6.655 2.030 1.00 0.00 H new ATOM 603 N TRP A 37 30.993 4.835 4.283 1.00 0.00 N ATOM 604 CA TRP A 37 30.491 3.517 3.931 1.00 0.00 C ATOM 605 C TRP A 37 30.063 2.814 5.221 1.00 0.00 C ATOM 606 O TRP A 37 29.480 1.732 5.178 1.00 0.00 O ATOM 607 CB TRP A 37 31.533 2.727 3.137 1.00 0.00 C ATOM 608 CG TRP A 37 32.728 3.563 2.675 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.976 3.560 3.164 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.738 4.531 1.604 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.786 4.451 2.490 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.009 5.060 1.511 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.707 4.945 0.742 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.367 6.033 0.570 1.00 0.00 C ATOM 615 CZ3 TRP A 37 32.081 5.918 -0.192 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.356 6.461 -0.298 1.00 0.00 C ATOM 0 H TRP A 37 31.999 4.878 4.449 1.00 0.00 H new ATOM 0 HA TRP A 37 29.625 3.597 3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.895 1.903 3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.052 2.286 2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.306 2.938 3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.773 4.630 2.676 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.706 4.544 0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.369 6.432 0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 31.326 6.272 -0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 37 33.566 7.210 -1.047 1.00 0.00 H new ATOM 627 N LEU A 38 30.370 3.458 6.338 1.00 0.00 N ATOM 628 CA LEU A 38 30.024 2.908 7.637 1.00 0.00 C ATOM 629 C LEU A 38 28.674 3.473 8.083 1.00 0.00 C ATOM 630 O LEU A 38 27.973 2.857 8.883 1.00 0.00 O ATOM 631 CB LEU A 38 31.154 3.152 8.640 1.00 0.00 C ATOM 632 CG LEU A 38 32.523 2.585 8.258 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.480 1.058 8.174 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.036 3.217 6.963 1.00 0.00 C ATOM 0 H LEU A 38 30.854 4.355 6.370 1.00 0.00 H new ATOM 0 HA LEU A 38 29.912 1.826 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.256 4.227 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.861 2.725 9.599 1.00 0.00 H new ATOM 0 HG LEU A 38 33.232 2.844 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.465 0.681 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.190 0.648 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.754 0.755 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.010 2.797 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.335 3.011 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.129 4.295 7.096 1.00 0.00 H new ATOM 646 N ILE A 39 28.350 4.640 7.544 1.00 0.00 N ATOM 647 CA ILE A 39 27.097 5.295 7.876 1.00 0.00 C ATOM 648 C ILE A 39 26.089 5.059 6.750 1.00 0.00 C ATOM 649 O ILE A 39 24.939 4.705 7.004 1.00 0.00 O ATOM 650 CB ILE A 39 27.332 6.774 8.192 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.048 7.474 7.035 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.082 6.939 9.515 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.210 8.969 7.316 1.00 0.00 C ATOM 0 H ILE A 39 28.934 5.148 6.880 1.00 0.00 H new ATOM 0 HA ILE A 39 26.670 4.864 8.782 1.00 0.00 H new ATOM 0 HB ILE A 39 26.362 7.257 8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.027 7.021 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.483 7.332 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.236 7.999 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.497 6.498 10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.048 6.438 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.722 9.443 6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.228 9.423 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.796 9.107 8.225 1.00 0.00 H new ATOM 665 N TYR A 40 26.557 5.266 5.527 1.00 0.00 N ATOM 666 CA TYR A 40 25.712 5.080 4.361 1.00 0.00 C ATOM 667 C TYR A 40 24.446 5.935 4.459 1.00 0.00 C ATOM 668 O TYR A 40 24.238 6.630 5.452 1.00 0.00 O ATOM 669 CB TYR A 40 25.316 3.602 4.358 1.00 0.00 C ATOM 670 CG TYR A 40 26.102 2.749 3.360 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.373 3.237 2.098 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.540 1.492 3.723 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.113 2.435 1.159 1.00 0.00 C ATOM 674 CE2 TYR A 40 27.280 0.689 2.784 1.00 0.00 C ATOM 675 CZ TYR A 40 27.530 1.200 1.549 1.00 0.00 C ATOM 676 OH TYR A 40 28.229 0.442 0.662 1.00 0.00 O ATOM 0 H TYR A 40 27.511 5.561 5.319 1.00 0.00 H new ATOM 0 HA TYR A 40 26.240 5.373 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.459 3.196 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.253 3.522 4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.030 4.221 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.328 1.110 4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.332 2.805 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.628 -0.297 3.055 1.00 0.00 H new ATOM 0 HH TYR A 40 28.463 -0.415 1.077 1.00 0.00 H new ATOM 686 N LYS A 41 23.634 5.855 3.415 1.00 0.00 N ATOM 687 CA LYS A 41 22.395 6.613 3.372 1.00 0.00 C ATOM 688 C LYS A 41 22.696 8.090 3.629 1.00 0.00 C ATOM 689 O LYS A 41 22.635 8.551 4.768 1.00 0.00 O ATOM 690 CB LYS A 41 21.369 6.017 4.338 1.00 0.00 C ATOM 691 CG LYS A 41 20.965 4.606 3.907 1.00 0.00 C ATOM 692 CD LYS A 41 19.928 4.651 2.782 1.00 0.00 C ATOM 693 CE LYS A 41 18.567 5.108 3.310 1.00 0.00 C ATOM 694 NZ LYS A 41 17.987 6.139 2.421 1.00 0.00 N ATOM 0 H LYS A 41 23.810 5.277 2.593 1.00 0.00 H new ATOM 0 HA LYS A 41 21.943 6.548 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.786 5.988 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.487 6.656 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.846 4.058 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.557 4.064 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.265 5.330 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.834 3.664 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.891 4.255 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.677 5.508 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.063 6.439 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.625 6.959 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.864 5.745 1.466 1.00 0.00 H new ATOM 707 N ASN A 42 23.015 8.793 2.552 1.00 0.00 N ATOM 708 CA ASN A 42 23.326 10.209 2.646 1.00 0.00 C ATOM 709 C ASN A 42 22.772 10.932 1.417 1.00 0.00 C ATOM 710 O ASN A 42 23.432 10.997 0.381 1.00 0.00 O ATOM 711 CB ASN A 42 24.838 10.439 2.689 1.00 0.00 C ATOM 712 CG ASN A 42 25.444 9.872 3.974 1.00 0.00 C ATOM 713 OD1 ASN A 42 24.978 10.123 5.074 1.00 0.00 O ATOM 714 ND2 ASN A 42 26.504 9.094 3.776 1.00 0.00 N ATOM 0 H ASN A 42 23.065 8.408 1.609 1.00 0.00 H new ATOM 0 HA ASN A 42 22.877 10.593 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 42 25.305 9.968 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 42 25.049 11.506 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 42 26.978 8.666 4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 42 26.843 8.925 2.829 1.00 0.00 H new ATOM 721 N THR A 43 21.566 11.456 1.573 1.00 0.00 N ATOM 722 CA THR A 43 20.916 12.172 0.488 1.00 0.00 C ATOM 723 C THR A 43 21.933 13.021 -0.277 1.00 0.00 C ATOM 724 O THR A 43 21.963 13.002 -1.506 1.00 0.00 O ATOM 725 CB THR A 43 19.767 12.989 1.082 1.00 0.00 C ATOM 726 OG1 THR A 43 19.387 13.872 0.030 1.00 0.00 O ATOM 727 CG2 THR A 43 20.231 13.923 2.202 1.00 0.00 C ATOM 0 H THR A 43 21.022 11.399 2.434 1.00 0.00 H new ATOM 0 HA THR A 43 20.499 11.483 -0.246 1.00 0.00 H new ATOM 0 HB THR A 43 19.002 12.313 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.645 14.438 0.330 1.00 0.00 H new ATOM 0 HG21 THR A 43 19.377 14.479 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.675 13.335 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.972 14.621 1.811 1.00 0.00 H new ATOM 735 N LYS A 44 22.742 13.745 0.483 1.00 0.00 N ATOM 736 CA LYS A 44 23.758 14.599 -0.107 1.00 0.00 C ATOM 737 C LYS A 44 24.553 13.798 -1.141 1.00 0.00 C ATOM 738 O LYS A 44 24.350 12.594 -1.289 1.00 0.00 O ATOM 739 CB LYS A 44 24.627 15.229 0.982 1.00 0.00 C ATOM 740 CG LYS A 44 24.654 16.753 0.849 1.00 0.00 C ATOM 741 CD LYS A 44 26.048 17.307 1.152 1.00 0.00 C ATOM 742 CE LYS A 44 26.248 18.675 0.498 1.00 0.00 C ATOM 743 NZ LYS A 44 26.693 19.668 1.502 1.00 0.00 N ATOM 0 H LYS A 44 22.714 13.757 1.503 1.00 0.00 H new ATOM 0 HA LYS A 44 23.295 15.433 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 44 24.243 14.953 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 44 25.642 14.837 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 44 24.357 17.039 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.928 17.194 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 44 26.183 17.392 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 44 26.806 16.612 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 44 26.987 18.599 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 25.316 19.005 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.824 20.592 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.974 19.752 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 27.593 19.359 1.921 1.00 0.00 H new ATOM 756 N LEU A 45 25.442 14.499 -1.830 1.00 0.00 N ATOM 757 CA LEU A 45 26.268 13.869 -2.845 1.00 0.00 C ATOM 758 C LEU A 45 25.413 12.900 -3.663 1.00 0.00 C ATOM 759 O LEU A 45 25.574 11.685 -3.559 1.00 0.00 O ATOM 760 CB LEU A 45 27.497 13.218 -2.208 1.00 0.00 C ATOM 761 CG LEU A 45 28.366 14.131 -1.341 1.00 0.00 C ATOM 762 CD1 LEU A 45 28.838 13.403 -0.081 1.00 0.00 C ATOM 763 CD2 LEU A 45 29.536 14.700 -2.146 1.00 0.00 C ATOM 0 H LEU A 45 25.608 15.498 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 45 26.655 14.616 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 27.164 12.379 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 45 28.118 12.806 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 45 27.757 14.975 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 45 29.454 14.074 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 45 27.973 13.087 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.424 12.529 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 45 30.138 15.346 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 45 30.153 13.882 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 45 29.152 15.278 -2.987 1.00 0.00 H new ATOM 775 N VAL A 46 24.521 13.473 -4.458 1.00 0.00 N ATOM 776 CA VAL A 46 23.640 12.675 -5.293 1.00 0.00 C ATOM 777 C VAL A 46 23.498 13.343 -6.662 1.00 0.00 C ATOM 778 O VAL A 46 22.872 14.395 -6.782 1.00 0.00 O ATOM 779 CB VAL A 46 22.298 12.466 -4.588 1.00 0.00 C ATOM 780 CG1 VAL A 46 21.536 13.786 -4.458 1.00 0.00 C ATOM 781 CG2 VAL A 46 21.455 11.416 -5.314 1.00 0.00 C ATOM 0 H VAL A 46 24.390 14.481 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 46 24.064 11.684 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 46 22.502 12.096 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 46 20.586 13.610 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 22.129 14.493 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 46 21.349 14.197 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 46 20.507 11.287 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 46 21.265 11.745 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 46 21.992 10.467 -5.332 1.00 0.00 H new ATOM 791 N LYS A 47 24.090 12.704 -7.661 1.00 0.00 N ATOM 792 CA LYS A 47 24.038 13.223 -9.017 1.00 0.00 C ATOM 793 C LYS A 47 24.486 14.686 -9.016 1.00 0.00 C ATOM 794 O LYS A 47 23.660 15.592 -9.113 1.00 0.00 O ATOM 795 CB LYS A 47 22.649 13.006 -9.621 1.00 0.00 C ATOM 796 CG LYS A 47 22.506 11.585 -10.170 1.00 0.00 C ATOM 797 CD LYS A 47 21.819 10.671 -9.154 1.00 0.00 C ATOM 798 CE LYS A 47 20.784 9.774 -9.836 1.00 0.00 C ATOM 799 NZ LYS A 47 19.524 9.752 -9.059 1.00 0.00 N ATOM 0 H LYS A 47 24.608 11.831 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 47 24.729 12.678 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.887 13.185 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.479 13.727 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.929 11.605 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.490 11.186 -10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 22.564 10.055 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 47 21.334 11.274 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 47 20.589 10.136 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 47 21.177 8.762 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.833 9.139 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.711 9.385 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.142 10.717 -8.990 1.00 0.00 H new ATOM 812 N LYS A 48 25.793 14.871 -8.905 1.00 0.00 N ATOM 813 CA LYS A 48 26.361 16.209 -8.890 1.00 0.00 C ATOM 814 C LYS A 48 25.957 16.944 -10.170 1.00 0.00 C ATOM 815 O LYS A 48 25.637 16.314 -11.177 1.00 0.00 O ATOM 816 CB LYS A 48 27.873 16.146 -8.668 1.00 0.00 C ATOM 817 CG LYS A 48 28.528 15.152 -9.628 1.00 0.00 C ATOM 818 CD LYS A 48 29.382 15.876 -10.671 1.00 0.00 C ATOM 819 CE LYS A 48 30.798 16.122 -10.146 1.00 0.00 C ATOM 820 NZ LYS A 48 31.459 17.195 -10.921 1.00 0.00 N ATOM 0 H LYS A 48 26.475 14.117 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 48 25.963 16.783 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.307 17.136 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.081 15.854 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.149 14.454 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.759 14.564 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.427 15.283 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.916 16.827 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.759 16.398 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.382 15.204 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.419 17.349 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.514 16.917 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.910 18.074 -10.835 1.00 0.00 H new ATOM 833 N ILE A 49 25.986 18.266 -10.089 1.00 0.00 N ATOM 834 CA ILE A 49 25.628 19.093 -11.229 1.00 0.00 C ATOM 835 C ILE A 49 26.346 18.575 -12.476 1.00 0.00 C ATOM 836 O ILE A 49 27.297 17.801 -12.373 1.00 0.00 O ATOM 837 CB ILE A 49 25.904 20.568 -10.928 1.00 0.00 C ATOM 838 CG1 ILE A 49 24.631 21.281 -10.466 1.00 0.00 C ATOM 839 CG2 ILE A 49 26.545 21.262 -12.131 1.00 0.00 C ATOM 840 CD1 ILE A 49 23.550 21.229 -11.548 1.00 0.00 C ATOM 0 H ILE A 49 26.252 18.785 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 49 24.558 19.026 -11.427 1.00 0.00 H new ATOM 0 HB ILE A 49 26.619 20.621 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.260 20.815 -9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 49 24.859 22.319 -10.224 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.731 22.309 -11.891 1.00 0.00 H new ATOM 0 HG22 ILE A 49 27.488 20.772 -12.373 1.00 0.00 H new ATOM 0 HG23 ILE A 49 25.873 21.200 -12.987 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.656 21.743 -11.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 23.916 21.717 -12.451 1.00 0.00 H new ATOM 0 HD13 ILE A 49 23.307 20.190 -11.770 1.00 0.00 H new ATOM 852 N ASP A 50 25.865 19.024 -13.626 1.00 0.00 N ATOM 853 CA ASP A 50 26.450 18.615 -14.892 1.00 0.00 C ATOM 854 C ASP A 50 26.203 19.704 -15.938 1.00 0.00 C ATOM 855 O ASP A 50 27.116 20.087 -16.668 1.00 0.00 O ATOM 856 CB ASP A 50 25.814 17.319 -15.400 1.00 0.00 C ATOM 857 CG ASP A 50 24.302 17.215 -15.190 1.00 0.00 C ATOM 858 OD1 ASP A 50 23.509 17.558 -16.080 1.00 0.00 O ATOM 859 OD2 ASP A 50 23.942 16.754 -14.041 1.00 0.00 O ATOM 0 H ASP A 50 25.077 19.667 -13.708 1.00 0.00 H new ATOM 0 HA ASP A 50 27.517 18.456 -14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 26.025 17.221 -16.465 1.00 0.00 H new ATOM 0 HB3 ASP A 50 26.294 16.477 -14.901 1.00 0.00 H new ATOM 865 N HIS A 51 24.964 20.172 -15.977 1.00 0.00 N ATOM 866 CA HIS A 51 24.586 21.209 -16.922 1.00 0.00 C ATOM 867 C HIS A 51 23.417 22.018 -16.355 1.00 0.00 C ATOM 868 O HIS A 51 23.564 23.201 -16.055 1.00 0.00 O ATOM 869 CB HIS A 51 24.280 20.608 -18.295 1.00 0.00 C ATOM 870 CG HIS A 51 24.508 21.559 -19.446 1.00 0.00 C ATOM 871 ND1 HIS A 51 23.614 21.697 -20.493 1.00 0.00 N ATOM 872 CD2 HIS A 51 25.537 22.418 -19.703 1.00 0.00 C ATOM 873 CE1 HIS A 51 24.093 22.599 -21.337 1.00 0.00 C ATOM 874 NE2 HIS A 51 25.285 23.045 -20.845 1.00 0.00 N ATOM 0 H HIS A 51 24.209 19.852 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 51 25.421 21.895 -17.068 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.900 19.723 -18.440 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.242 20.276 -18.312 1.00 0.00 H new ATOM 0 HD2 HIS A 51 26.409 22.563 -19.082 1.00 0.00 H new ATOM 0 HE1 HIS A 51 23.623 22.924 -22.253 1.00 0.00 H new ATOM 0 HE2 HIS A 51 25.884 23.745 -21.283 1.00 0.00 H new ATOM 882 N ALA A 52 22.282 21.346 -16.226 1.00 0.00 N ATOM 883 CA ALA A 52 21.088 21.987 -15.701 1.00 0.00 C ATOM 884 C ALA A 52 19.993 20.936 -15.509 1.00 0.00 C ATOM 885 O ALA A 52 19.844 20.032 -16.330 1.00 0.00 O ATOM 886 CB ALA A 52 20.657 23.113 -16.642 1.00 0.00 C ATOM 0 H ALA A 52 22.164 20.364 -16.476 1.00 0.00 H new ATOM 0 HA ALA A 52 21.289 22.435 -14.728 1.00 0.00 H new ATOM 0 HB1 ALA A 52 19.761 23.594 -16.248 1.00 0.00 H new ATOM 0 HB2 ALA A 52 21.458 23.848 -16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 52 20.444 22.701 -17.628 1.00 0.00 H new ATOM 892 N LYS A 53 19.254 21.090 -14.420 1.00 0.00 N ATOM 893 CA LYS A 53 18.177 20.165 -14.110 1.00 0.00 C ATOM 894 C LYS A 53 17.112 20.244 -15.206 1.00 0.00 C ATOM 895 O LYS A 53 17.030 19.364 -16.061 1.00 0.00 O ATOM 896 CB LYS A 53 17.633 20.428 -12.704 1.00 0.00 C ATOM 897 CG LYS A 53 17.164 19.129 -12.046 1.00 0.00 C ATOM 898 CD LYS A 53 18.302 18.466 -11.268 1.00 0.00 C ATOM 899 CE LYS A 53 17.757 17.468 -10.244 1.00 0.00 C ATOM 900 NZ LYS A 53 17.892 18.008 -8.872 1.00 0.00 N ATOM 0 H LYS A 53 19.380 21.841 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 53 18.547 19.140 -14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.407 20.891 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.803 21.133 -12.757 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.332 19.338 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.793 18.444 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.971 17.954 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.892 19.228 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.709 17.256 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.296 16.524 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.518 17.319 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.896 18.188 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.358 18.897 -8.795 1.00 0.00 H new ATOM 913 N VAL A 54 16.323 21.307 -15.144 1.00 0.00 N ATOM 914 CA VAL A 54 15.266 21.512 -16.120 1.00 0.00 C ATOM 915 C VAL A 54 15.123 23.009 -16.403 1.00 0.00 C ATOM 916 O VAL A 54 14.098 23.451 -16.920 1.00 0.00 O ATOM 917 CB VAL A 54 13.968 20.869 -15.629 1.00 0.00 C ATOM 918 CG1 VAL A 54 13.388 21.642 -14.443 1.00 0.00 C ATOM 919 CG2 VAL A 54 12.947 20.760 -16.764 1.00 0.00 C ATOM 0 H VAL A 54 16.395 22.035 -14.433 1.00 0.00 H new ATOM 0 HA VAL A 54 15.517 21.026 -17.063 1.00 0.00 H new ATOM 0 HB VAL A 54 14.201 19.860 -15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.466 21.164 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.108 21.646 -13.624 1.00 0.00 H new ATOM 0 HG13 VAL A 54 13.177 22.668 -14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.033 20.300 -16.388 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.721 21.755 -17.147 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.359 20.148 -17.566 1.00 0.00 H new ATOM 929 N ARG A 55 16.165 23.747 -16.052 1.00 0.00 N ATOM 930 CA ARG A 55 16.169 25.185 -16.261 1.00 0.00 C ATOM 931 C ARG A 55 15.008 25.834 -15.505 1.00 0.00 C ATOM 932 O ARG A 55 13.936 26.046 -16.070 1.00 0.00 O ATOM 933 CB ARG A 55 16.053 25.525 -17.748 1.00 0.00 C ATOM 934 CG ARG A 55 17.180 26.464 -18.185 1.00 0.00 C ATOM 935 CD ARG A 55 18.191 25.732 -19.070 1.00 0.00 C ATOM 936 NE ARG A 55 18.551 26.576 -20.232 1.00 0.00 N ATOM 937 CZ ARG A 55 19.448 26.221 -21.176 1.00 0.00 C ATOM 938 NH1 ARG A 55 20.085 25.033 -21.104 1.00 0.00 N ATOM 939 NH2 ARG A 55 19.693 27.053 -22.171 1.00 0.00 N ATOM 0 H ARG A 55 17.013 23.376 -15.624 1.00 0.00 H new ATOM 0 HA ARG A 55 17.115 25.573 -15.884 1.00 0.00 H new ATOM 0 HB2 ARG A 55 16.088 24.609 -18.338 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.088 25.993 -17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.762 27.311 -18.728 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.684 26.866 -17.306 1.00 0.00 H new ATOM 0 HD2 ARG A 55 19.085 25.492 -18.494 1.00 0.00 H new ATOM 0 HD3 ARG A 55 17.770 24.787 -19.413 1.00 0.00 H new ATOM 0 HE ARG A 55 18.092 27.482 -20.325 1.00 0.00 H new ATOM 0 HH11 ARG A 55 19.890 24.396 -20.332 1.00 0.00 H new ATOM 0 HH12 ARG A 55 20.761 24.773 -21.822 1.00 0.00 H new ATOM 0 HH21 ARG A 55 19.207 27.949 -22.218 1.00 0.00 H new ATOM 0 HH22 ARG A 55 20.368 26.800 -22.893 1.00 0.00 H new ATOM 952 N LYS A 56 15.261 26.132 -14.239 1.00 0.00 N ATOM 953 CA LYS A 56 14.250 26.753 -13.400 1.00 0.00 C ATOM 954 C LYS A 56 14.120 28.230 -13.774 1.00 0.00 C ATOM 955 O LYS A 56 14.826 29.077 -13.228 1.00 0.00 O ATOM 956 CB LYS A 56 14.564 26.518 -11.921 1.00 0.00 C ATOM 957 CG LYS A 56 14.565 25.024 -11.590 1.00 0.00 C ATOM 958 CD LYS A 56 14.203 24.787 -10.123 1.00 0.00 C ATOM 959 CE LYS A 56 13.122 23.713 -9.991 1.00 0.00 C ATOM 960 NZ LYS A 56 13.071 23.196 -8.605 1.00 0.00 N ATOM 0 H LYS A 56 16.151 25.955 -13.774 1.00 0.00 H new ATOM 0 HA LYS A 56 13.277 26.294 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.536 26.948 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.826 27.030 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.853 24.505 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.548 24.602 -11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.092 24.483 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.852 25.717 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.153 24.129 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.326 22.896 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.332 22.468 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.991 22.781 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.854 23.975 -7.952 1.00 0.00 H new ATOM 973 N HIS A 57 13.213 28.495 -14.702 1.00 0.00 N ATOM 974 CA HIS A 57 12.981 29.856 -15.156 1.00 0.00 C ATOM 975 C HIS A 57 11.511 30.224 -14.944 1.00 0.00 C ATOM 976 O HIS A 57 10.998 30.133 -13.830 1.00 0.00 O ATOM 977 CB HIS A 57 13.432 30.029 -16.607 1.00 0.00 C ATOM 978 CG HIS A 57 13.496 31.467 -17.063 1.00 0.00 C ATOM 979 ND1 HIS A 57 13.640 32.622 -16.352 1.00 0.00 N flip ATOM 980 CD2 HIS A 57 13.405 31.837 -18.394 1.00 0.00 C flip ATOM 981 CE1 HIS A 57 13.640 33.642 -17.202 1.00 0.00 C flip ATOM 982 NE2 HIS A 57 13.494 33.157 -18.469 1.00 0.00 N flip ATOM 0 H HIS A 57 12.629 27.790 -15.152 1.00 0.00 H new ATOM 0 HA HIS A 57 13.582 30.548 -14.565 1.00 0.00 H new ATOM 0 HB2 HIS A 57 14.416 29.576 -16.727 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.748 29.483 -17.257 1.00 0.00 H new ATOM 0 HD2 HIS A 57 13.282 31.164 -19.230 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.739 34.684 -16.935 1.00 0.00 H new ATOM 0 HE2 HIS A 57 13.459 33.713 -19.324 1.00 0.00 H new ATOM 990 N GLN A 58 10.874 30.632 -16.032 1.00 0.00 N ATOM 991 CA GLN A 58 9.473 31.015 -15.980 1.00 0.00 C ATOM 992 C GLN A 58 8.936 31.256 -17.392 1.00 0.00 C ATOM 993 O GLN A 58 8.163 32.186 -17.616 1.00 0.00 O ATOM 994 CB GLN A 58 9.274 32.250 -15.099 1.00 0.00 C ATOM 995 CG GLN A 58 10.240 33.368 -15.498 1.00 0.00 C ATOM 996 CD GLN A 58 9.946 34.651 -14.716 1.00 0.00 C ATOM 997 OE1 GLN A 58 9.085 35.439 -15.068 1.00 0.00 O ATOM 998 NE2 GLN A 58 10.709 34.813 -13.639 1.00 0.00 N ATOM 0 H GLN A 58 11.302 30.706 -16.955 1.00 0.00 H new ATOM 0 HA GLN A 58 8.909 30.196 -15.533 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.247 32.603 -15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.431 31.985 -14.053 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.266 33.051 -15.311 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.156 33.562 -16.567 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.412 34.113 -13.402 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.591 35.637 -13.050 1.00 0.00 H new ATOM 1007 N ARG A 59 9.366 30.400 -18.308 1.00 0.00 N ATOM 1008 CA ARG A 59 8.938 30.509 -19.692 1.00 0.00 C ATOM 1009 C ARG A 59 8.939 31.973 -20.136 1.00 0.00 C ATOM 1010 O ARG A 59 7.916 32.651 -20.055 1.00 0.00 O ATOM 1011 CB ARG A 59 7.535 29.927 -19.882 1.00 0.00 C ATOM 1012 CG ARG A 59 7.435 29.156 -21.199 1.00 0.00 C ATOM 1013 CD ARG A 59 5.974 28.928 -21.591 1.00 0.00 C ATOM 1014 NE ARG A 59 5.652 29.698 -22.814 1.00 0.00 N ATOM 1015 CZ ARG A 59 4.620 29.414 -23.637 1.00 0.00 C ATOM 1016 NH1 ARG A 59 3.799 28.375 -23.374 1.00 0.00 N ATOM 1017 NH2 ARG A 59 4.425 30.169 -24.702 1.00 0.00 N ATOM 0 H ARG A 59 10.006 29.629 -18.119 1.00 0.00 H new ATOM 0 HA ARG A 59 9.641 29.941 -20.301 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.296 29.265 -19.050 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.799 30.731 -19.870 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.945 29.709 -21.988 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.943 28.197 -21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.796 27.866 -21.762 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.318 29.233 -20.776 1.00 0.00 H new ATOM 0 HE ARG A 59 6.247 30.492 -23.049 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.956 27.797 -22.548 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.022 28.168 -24.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.049 30.953 -24.893 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.650 29.969 -25.334 1.00 0.00 H new ATOM 1030 N LYS A 60 10.100 32.418 -20.594 1.00 0.00 N ATOM 1031 CA LYS A 60 10.248 33.789 -21.050 1.00 0.00 C ATOM 1032 C LYS A 60 9.651 34.736 -20.008 1.00 0.00 C ATOM 1033 O LYS A 60 8.463 35.052 -20.058 1.00 0.00 O ATOM 1034 CB LYS A 60 9.649 33.957 -22.448 1.00 0.00 C ATOM 1035 CG LYS A 60 10.333 33.028 -23.453 1.00 0.00 C ATOM 1036 CD LYS A 60 11.770 33.478 -23.726 1.00 0.00 C ATOM 1037 CE LYS A 60 11.894 34.105 -25.116 1.00 0.00 C ATOM 1038 NZ LYS A 60 12.027 33.053 -26.149 1.00 0.00 N ATOM 0 H LYS A 60 10.947 31.853 -20.659 1.00 0.00 H new ATOM 0 HA LYS A 60 11.303 34.046 -21.147 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.581 33.743 -22.418 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.757 34.992 -22.772 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.334 32.008 -23.068 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.768 33.016 -24.385 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.079 34.199 -22.969 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.443 32.624 -23.647 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.018 34.719 -25.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.760 34.766 -25.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.110 33.496 -27.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.877 32.484 -25.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.188 32.439 -26.129 1.00 0.00 H new ATOM 1051 N PHE A 61 10.502 35.164 -19.087 1.00 0.00 N ATOM 1052 CA PHE A 61 10.074 36.068 -18.034 1.00 0.00 C ATOM 1053 C PHE A 61 9.175 37.174 -18.593 1.00 0.00 C ATOM 1054 O PHE A 61 9.585 37.925 -19.476 1.00 0.00 O ATOM 1055 CB PHE A 61 11.337 36.702 -17.447 1.00 0.00 C ATOM 1056 CG PHE A 61 11.077 37.980 -16.646 1.00 0.00 C ATOM 1057 CD1 PHE A 61 10.778 37.903 -15.322 1.00 0.00 C ATOM 1058 CD2 PHE A 61 11.146 39.192 -17.258 1.00 0.00 C ATOM 1059 CE1 PHE A 61 10.537 39.088 -14.578 1.00 0.00 C ATOM 1060 CE2 PHE A 61 10.906 40.378 -16.515 1.00 0.00 C ATOM 1061 CZ PHE A 61 10.606 40.301 -15.190 1.00 0.00 C ATOM 0 H PHE A 61 11.487 34.901 -19.049 1.00 0.00 H new ATOM 0 HA PHE A 61 9.507 35.520 -17.282 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.830 35.975 -16.802 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.028 36.928 -18.259 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.724 36.940 -14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.383 39.253 -18.310 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.299 39.026 -13.526 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.962 41.341 -17.001 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.423 41.203 -14.624 1.00 0.00 H new ATOM 1071 N LEU A 62 7.966 37.238 -18.054 1.00 0.00 N ATOM 1072 CA LEU A 62 7.006 38.239 -18.488 1.00 0.00 C ATOM 1073 C LEU A 62 6.974 39.383 -17.473 1.00 0.00 C ATOM 1074 O LEU A 62 7.607 39.301 -16.421 1.00 0.00 O ATOM 1075 CB LEU A 62 5.639 37.598 -18.736 1.00 0.00 C ATOM 1076 CG LEU A 62 4.868 37.159 -17.489 1.00 0.00 C ATOM 1077 CD1 LEU A 62 3.422 37.657 -17.535 1.00 0.00 C ATOM 1078 CD2 LEU A 62 4.947 35.643 -17.301 1.00 0.00 C ATOM 0 H LEU A 62 7.630 36.613 -17.321 1.00 0.00 H new ATOM 0 HA LEU A 62 7.309 38.669 -19.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.023 38.306 -19.289 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.779 36.728 -19.378 1.00 0.00 H new ATOM 0 HG LEU A 62 5.338 37.616 -16.618 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.896 37.331 -16.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.414 38.746 -17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.925 37.249 -18.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.391 35.358 -16.408 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.517 35.146 -18.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.989 35.344 -17.190 1.00 0.00 H new ATOM 1090 N GLN A 63 6.231 40.422 -17.823 1.00 0.00 N ATOM 1091 CA GLN A 63 6.109 41.581 -16.956 1.00 0.00 C ATOM 1092 C GLN A 63 4.832 41.484 -16.117 1.00 0.00 C ATOM 1093 O GLN A 63 3.891 42.248 -16.322 1.00 0.00 O ATOM 1094 CB GLN A 63 6.135 42.878 -17.766 1.00 0.00 C ATOM 1095 CG GLN A 63 5.572 44.045 -16.952 1.00 0.00 C ATOM 1096 CD GLN A 63 6.448 45.291 -17.102 1.00 0.00 C ATOM 1097 OE1 GLN A 63 6.045 46.301 -17.654 1.00 0.00 O ATOM 1098 NE2 GLN A 63 7.665 45.162 -16.582 1.00 0.00 N ATOM 0 H GLN A 63 5.707 40.485 -18.696 1.00 0.00 H new ATOM 0 HA GLN A 63 6.965 41.596 -16.281 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.158 43.101 -18.069 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.553 42.752 -18.679 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.557 44.267 -17.282 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.511 43.764 -15.901 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.938 44.288 -16.133 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.326 45.938 -16.632 1.00 0.00 H new ATOM 1107 N ALA A 64 4.842 40.537 -15.190 1.00 0.00 N ATOM 1108 CA ALA A 64 3.697 40.330 -14.320 1.00 0.00 C ATOM 1109 C ALA A 64 3.821 41.240 -13.096 1.00 0.00 C ATOM 1110 O ALA A 64 3.550 40.817 -11.973 1.00 0.00 O ATOM 1111 CB ALA A 64 3.606 38.851 -13.939 1.00 0.00 C ATOM 0 H ALA A 64 5.625 39.905 -15.023 1.00 0.00 H new ATOM 0 HA ALA A 64 2.772 40.592 -14.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.747 38.696 -13.286 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.490 38.249 -14.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.516 38.553 -13.418 1.00 0.00 H new ATOM 1117 N ILE A 65 4.230 42.474 -13.355 1.00 0.00 N ATOM 1118 CA ILE A 65 4.393 43.447 -12.289 1.00 0.00 C ATOM 1119 C ILE A 65 3.711 44.756 -12.691 1.00 0.00 C ATOM 1120 O ILE A 65 2.878 45.279 -11.952 1.00 0.00 O ATOM 1121 CB ILE A 65 5.872 43.609 -11.932 1.00 0.00 C ATOM 1122 CG1 ILE A 65 6.704 43.926 -13.176 1.00 0.00 C ATOM 1123 CG2 ILE A 65 6.395 42.377 -11.191 1.00 0.00 C ATOM 1124 CD1 ILE A 65 6.881 45.436 -13.347 1.00 0.00 C ATOM 0 H ILE A 65 4.453 42.822 -14.288 1.00 0.00 H new ATOM 0 HA ILE A 65 3.906 43.099 -11.378 1.00 0.00 H new ATOM 0 HB ILE A 65 5.969 44.457 -11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.681 43.449 -13.096 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.218 43.511 -14.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.448 42.518 -10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.827 42.237 -10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.283 41.497 -11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.476 45.634 -14.239 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.904 45.907 -13.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.390 45.844 -12.473 1.00 0.00 H new ATOM 1136 N HIS A 66 4.089 45.248 -13.862 1.00 0.00 N ATOM 1137 CA HIS A 66 3.524 46.486 -14.371 1.00 0.00 C ATOM 1138 C HIS A 66 2.057 46.266 -14.744 1.00 0.00 C ATOM 1139 O HIS A 66 1.741 45.995 -15.902 1.00 0.00 O ATOM 1140 CB HIS A 66 4.357 47.025 -15.536 1.00 0.00 C ATOM 1141 CG HIS A 66 3.983 48.424 -15.963 1.00 0.00 C ATOM 1142 ND1 HIS A 66 2.871 48.698 -16.741 1.00 0.00 N ATOM 1143 CD2 HIS A 66 4.583 49.623 -15.713 1.00 0.00 C ATOM 1144 CE1 HIS A 66 2.815 50.006 -16.944 1.00 0.00 C ATOM 1145 NE2 HIS A 66 3.877 50.578 -16.307 1.00 0.00 N ATOM 0 H HIS A 66 4.780 44.812 -14.473 1.00 0.00 H new ATOM 0 HA HIS A 66 3.555 47.250 -13.594 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.410 47.012 -15.253 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.247 46.355 -16.388 1.00 0.00 H new ATOM 0 HD1 HIS A 66 2.208 48.010 -17.097 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.480 49.771 -15.131 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.061 50.528 -17.514 1.00 0.00 H new ATOM 1153 N GLN A 67 1.199 46.390 -13.742 1.00 0.00 N ATOM 1154 CA GLN A 67 -0.227 46.207 -13.950 1.00 0.00 C ATOM 1155 C GLN A 67 -0.914 47.562 -14.133 1.00 0.00 C ATOM 1156 O GLN A 67 -0.420 48.582 -13.657 1.00 0.00 O ATOM 1157 CB GLN A 67 -0.855 45.426 -12.793 1.00 0.00 C ATOM 1158 CG GLN A 67 -0.683 43.919 -12.992 1.00 0.00 C ATOM 1159 CD GLN A 67 -0.495 43.207 -11.651 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -0.211 43.813 -10.632 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -0.670 41.889 -11.710 1.00 0.00 N ATOM 0 H GLN A 67 1.464 46.615 -12.783 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.370 45.623 -14.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.393 45.727 -11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.915 45.668 -12.719 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.556 43.514 -13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.178 43.729 -13.633 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.907 41.445 -12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.567 41.323 -10.868 1.00 0.00 H new ATOM 1170 N LEU A 68 -2.044 47.527 -14.825 1.00 0.00 N ATOM 1171 CA LEU A 68 -2.804 48.740 -15.078 1.00 0.00 C ATOM 1172 C LEU A 68 -3.488 49.186 -13.784 1.00 0.00 C ATOM 1173 O LEU A 68 -3.470 48.465 -12.787 1.00 0.00 O ATOM 1174 CB LEU A 68 -3.771 48.532 -16.245 1.00 0.00 C ATOM 1175 CG LEU A 68 -3.138 48.121 -17.575 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -3.934 46.994 -18.236 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -2.976 49.328 -18.502 1.00 0.00 C ATOM 0 H LEU A 68 -2.451 46.678 -15.218 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.141 49.549 -15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.495 47.769 -15.959 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.326 49.457 -16.400 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.139 47.734 -17.372 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.463 46.721 -19.180 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.954 46.127 -17.576 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.954 47.330 -18.424 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.524 49.008 -19.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.953 49.767 -18.702 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.335 50.070 -18.025 1.00 0.00 H new ATOM 1189 N ARG A 69 -4.075 50.373 -13.841 1.00 0.00 N ATOM 1190 CA ARG A 69 -4.764 50.924 -12.687 1.00 0.00 C ATOM 1191 C ARG A 69 -6.090 51.556 -13.112 1.00 0.00 C ATOM 1192 O ARG A 69 -6.296 51.842 -14.290 1.00 0.00 O ATOM 1193 CB ARG A 69 -3.906 51.979 -11.985 1.00 0.00 C ATOM 1194 CG ARG A 69 -3.464 53.067 -12.966 1.00 0.00 C ATOM 1195 CD ARG A 69 -4.426 54.255 -12.936 1.00 0.00 C ATOM 1196 NE ARG A 69 -3.669 55.523 -13.036 1.00 0.00 N ATOM 1197 CZ ARG A 69 -3.135 56.171 -11.978 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -3.273 55.674 -10.730 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -2.478 57.297 -12.182 1.00 0.00 N ATOM 0 H ARG A 69 -4.087 50.968 -14.669 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.954 50.106 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.471 52.428 -11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.030 51.505 -11.543 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.458 53.402 -12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.419 52.656 -13.975 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.135 54.180 -13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.006 54.240 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.543 55.933 -13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.783 54.803 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.867 56.169 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.379 57.666 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.069 57.799 -11.394 1.00 0.00 H new ATOM 1212 N SER A 70 -6.956 51.755 -12.129 1.00 0.00 N ATOM 1213 CA SER A 70 -8.257 52.349 -12.386 1.00 0.00 C ATOM 1214 C SER A 70 -9.087 51.422 -13.278 1.00 0.00 C ATOM 1215 O SER A 70 -8.547 50.756 -14.159 1.00 0.00 O ATOM 1216 CB SER A 70 -8.116 53.726 -13.038 1.00 0.00 C ATOM 1217 OG SER A 70 -8.500 54.776 -12.155 1.00 0.00 O ATOM 0 H SER A 70 -6.782 51.515 -11.153 1.00 0.00 H new ATOM 0 HA SER A 70 -8.768 52.480 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.083 53.875 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.730 53.766 -13.938 1.00 0.00 H new ATOM 0 HG SER A 70 -8.247 55.639 -12.544 1.00 0.00 H new ATOM 1223 N VAL A 71 -10.386 51.411 -13.017 1.00 0.00 N ATOM 1224 CA VAL A 71 -11.296 50.578 -13.785 1.00 0.00 C ATOM 1225 C VAL A 71 -11.867 51.391 -14.948 1.00 0.00 C ATOM 1226 O VAL A 71 -13.077 51.594 -15.033 1.00 0.00 O ATOM 1227 CB VAL A 71 -12.378 50.003 -12.869 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -13.187 48.920 -13.587 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -11.770 49.464 -11.573 1.00 0.00 C ATOM 0 H VAL A 71 -10.830 51.965 -12.285 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.766 49.727 -14.213 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.060 50.812 -12.608 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.949 48.528 -12.913 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.666 49.348 -14.468 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.522 48.112 -13.892 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.561 49.061 -10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.055 48.675 -11.807 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.260 50.271 -11.047 1.00 0.00 H new ATOM 1239 N LYS A 72 -10.969 51.835 -15.815 1.00 0.00 N ATOM 1240 CA LYS A 72 -11.369 52.621 -16.970 1.00 0.00 C ATOM 1241 C LYS A 72 -12.038 53.913 -16.494 1.00 0.00 C ATOM 1242 O LYS A 72 -13.130 53.878 -15.928 1.00 0.00 O ATOM 1243 CB LYS A 72 -12.240 51.787 -17.911 1.00 0.00 C ATOM 1244 CG LYS A 72 -11.378 50.933 -18.843 1.00 0.00 C ATOM 1245 CD LYS A 72 -11.310 49.485 -18.353 1.00 0.00 C ATOM 1246 CE LYS A 72 -11.354 48.507 -19.528 1.00 0.00 C ATOM 1247 NZ LYS A 72 -10.188 47.596 -19.489 1.00 0.00 N ATOM 0 H LYS A 72 -9.966 51.666 -15.741 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.496 52.910 -17.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.899 51.144 -17.328 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.878 52.445 -18.501 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.790 50.960 -19.852 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.372 51.350 -18.898 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.394 49.333 -17.783 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.142 49.286 -17.678 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.277 47.928 -19.492 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.360 49.059 -20.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.234 46.939 -20.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.311 48.152 -19.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.199 47.056 -18.600 1.00 0.00 H new ATOM 1260 N MET A 73 -11.357 55.021 -16.743 1.00 0.00 N ATOM 1261 CA MET A 73 -11.872 56.321 -16.347 1.00 0.00 C ATOM 1262 C MET A 73 -11.172 57.444 -17.115 1.00 0.00 C ATOM 1263 O MET A 73 -10.625 58.366 -16.512 1.00 0.00 O ATOM 1264 CB MET A 73 -11.659 56.520 -14.845 1.00 0.00 C ATOM 1265 CG MET A 73 -10.168 56.544 -14.502 1.00 0.00 C ATOM 1266 SD MET A 73 -9.845 57.798 -13.273 1.00 0.00 S ATOM 1267 CE MET A 73 -8.720 58.842 -14.183 1.00 0.00 C ATOM 0 H MET A 73 -10.453 55.046 -17.214 1.00 0.00 H new ATOM 0 HA MET A 73 -12.936 56.355 -16.579 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.124 57.454 -14.529 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.150 55.717 -14.295 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.856 55.568 -14.129 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.583 56.744 -15.400 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.041 59.337 -13.489 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.145 58.235 -14.883 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.286 59.593 -14.734 1.00 0.00 H new ATOM 1277 N GLU A 74 -11.214 57.331 -18.435 1.00 0.00 N ATOM 1278 CA GLU A 74 -10.591 58.326 -19.291 1.00 0.00 C ATOM 1279 C GLU A 74 -11.341 58.426 -20.621 1.00 0.00 C ATOM 1280 O GLU A 74 -12.218 57.611 -20.906 1.00 0.00 O ATOM 1281 CB GLU A 74 -9.113 58.005 -19.519 1.00 0.00 C ATOM 1282 CG GLU A 74 -8.244 58.611 -18.414 1.00 0.00 C ATOM 1283 CD GLU A 74 -7.279 59.652 -18.984 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -7.302 60.817 -18.560 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -6.484 59.214 -19.901 1.00 0.00 O ATOM 0 H GLU A 74 -11.670 56.566 -18.932 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.646 59.293 -18.791 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.972 56.925 -19.546 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.798 58.392 -20.488 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.880 59.074 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.681 57.822 -17.916 1.00 0.00 H new ATOM 1293 N GLN A 75 -10.970 59.431 -21.399 1.00 0.00 N ATOM 1294 CA GLN A 75 -11.597 59.648 -22.692 1.00 0.00 C ATOM 1295 C GLN A 75 -11.685 58.332 -23.467 1.00 0.00 C ATOM 1296 O GLN A 75 -11.140 57.316 -23.036 1.00 0.00 O ATOM 1297 CB GLN A 75 -10.842 60.708 -23.497 1.00 0.00 C ATOM 1298 CG GLN A 75 -11.681 61.978 -23.653 1.00 0.00 C ATOM 1299 CD GLN A 75 -11.523 62.570 -25.055 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -10.582 63.288 -25.352 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -12.495 62.230 -25.898 1.00 0.00 N ATOM 0 H GLN A 75 -10.243 60.105 -21.159 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.609 60.018 -22.525 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.902 60.947 -22.999 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.589 60.312 -24.480 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.730 61.750 -23.467 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.377 62.713 -22.908 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.254 61.625 -25.584 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.481 62.574 -26.858 1.00 0.00 H new ATOM 1310 N ARG A 76 -12.374 58.392 -24.597 1.00 0.00 N ATOM 1311 CA ARG A 76 -12.540 57.217 -25.435 1.00 0.00 C ATOM 1312 C ARG A 76 -13.261 56.111 -24.662 1.00 0.00 C ATOM 1313 O ARG A 76 -13.458 56.221 -23.453 1.00 0.00 O ATOM 1314 CB ARG A 76 -11.188 56.692 -25.922 1.00 0.00 C ATOM 1315 CG ARG A 76 -10.552 57.660 -26.921 1.00 0.00 C ATOM 1316 CD ARG A 76 -9.589 56.926 -27.858 1.00 0.00 C ATOM 1317 NE ARG A 76 -8.644 57.888 -28.468 1.00 0.00 N ATOM 1318 CZ ARG A 76 -7.638 57.539 -29.297 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -7.437 56.244 -29.623 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -6.853 58.482 -29.784 1.00 0.00 N ATOM 0 H ARG A 76 -12.824 59.236 -24.952 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.136 57.508 -26.300 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.521 56.551 -25.072 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.320 55.716 -26.389 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.331 58.150 -27.505 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.017 58.443 -26.384 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.039 56.165 -27.304 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.150 56.410 -28.638 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.760 58.877 -28.248 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.048 55.521 -29.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.674 55.988 -30.250 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.011 59.458 -29.532 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.088 58.235 -30.412 1.00 0.00 H new ATOM 1333 N LYS A 77 -13.635 55.070 -25.392 1.00 0.00 N ATOM 1334 CA LYS A 77 -14.330 53.945 -24.790 1.00 0.00 C ATOM 1335 C LYS A 77 -15.719 54.394 -24.333 1.00 0.00 C ATOM 1336 O LYS A 77 -16.057 55.572 -24.430 1.00 0.00 O ATOM 1337 CB LYS A 77 -13.485 53.328 -23.674 1.00 0.00 C ATOM 1338 CG LYS A 77 -13.054 51.905 -24.035 1.00 0.00 C ATOM 1339 CD LYS A 77 -11.819 51.486 -23.234 1.00 0.00 C ATOM 1340 CE LYS A 77 -10.811 50.754 -24.123 1.00 0.00 C ATOM 1341 NZ LYS A 77 -9.943 49.876 -23.307 1.00 0.00 N ATOM 0 H LYS A 77 -13.470 54.982 -26.395 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.476 53.152 -25.523 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.604 53.945 -23.497 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.056 53.314 -22.746 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.872 51.212 -23.838 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.837 51.846 -25.102 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.350 52.367 -22.795 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.118 50.840 -22.409 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.339 50.161 -24.870 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.201 51.478 -24.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.265 49.387 -23.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.425 50.450 -22.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.528 49.174 -22.811 1.00 0.00 H new ATOM 1354 N LEU A 78 -16.486 53.431 -23.844 1.00 0.00 N ATOM 1355 CA LEU A 78 -17.831 53.713 -23.371 1.00 0.00 C ATOM 1356 C LEU A 78 -17.884 53.522 -21.854 1.00 0.00 C ATOM 1357 O LEU A 78 -17.000 52.895 -21.273 1.00 0.00 O ATOM 1358 CB LEU A 78 -18.855 52.869 -24.134 1.00 0.00 C ATOM 1359 CG LEU A 78 -19.103 51.461 -23.588 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -20.601 51.188 -23.435 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -18.414 50.407 -24.458 1.00 0.00 C ATOM 0 H LEU A 78 -16.202 52.455 -23.765 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.096 54.751 -23.571 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -19.804 53.406 -24.144 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -18.526 52.783 -25.170 1.00 0.00 H new ATOM 0 HG LEU A 78 -18.661 51.397 -22.594 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -20.749 50.181 -23.045 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -21.034 51.912 -22.744 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -21.088 51.277 -24.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -18.606 49.415 -24.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -18.805 50.462 -25.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.340 50.592 -24.472 1.00 0.00 H new ATOM 1373 N ASN A 79 -18.930 54.074 -21.257 1.00 0.00 N ATOM 1374 CA ASN A 79 -19.110 53.972 -19.819 1.00 0.00 C ATOM 1375 C ASN A 79 -20.488 54.519 -19.442 1.00 0.00 C ATOM 1376 O ASN A 79 -21.166 53.963 -18.578 1.00 0.00 O ATOM 1377 CB ASN A 79 -18.056 54.792 -19.072 1.00 0.00 C ATOM 1378 CG ASN A 79 -17.864 54.271 -17.646 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -18.805 53.915 -16.956 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -16.596 54.245 -17.246 1.00 0.00 N ATOM 0 H ASN A 79 -19.661 54.593 -21.743 1.00 0.00 H new ATOM 0 HA ASN A 79 -19.014 52.922 -19.541 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.109 54.749 -19.609 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -18.358 55.839 -19.043 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.363 53.912 -16.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.856 54.558 -17.875 1.00 0.00 H new ATOM 1387 N ASP A 80 -20.863 55.601 -20.108 1.00 0.00 N ATOM 1388 CA ASP A 80 -22.148 56.229 -19.853 1.00 0.00 C ATOM 1389 C ASP A 80 -23.251 55.419 -20.537 1.00 0.00 C ATOM 1390 O ASP A 80 -22.967 54.517 -21.323 1.00 0.00 O ATOM 1391 CB ASP A 80 -22.188 57.651 -20.417 1.00 0.00 C ATOM 1392 CG ASP A 80 -22.662 58.724 -19.434 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -22.753 58.483 -18.221 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -22.949 59.863 -19.967 1.00 0.00 O ATOM 0 H ASP A 80 -20.299 56.059 -20.824 1.00 0.00 H new ATOM 0 HA ASP A 80 -22.298 56.264 -18.774 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.190 57.915 -20.766 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -22.844 57.662 -21.288 1.00 0.00 H new ATOM 1400 N GLN A 81 -24.487 55.770 -20.212 1.00 0.00 N ATOM 1401 CA GLN A 81 -25.634 55.086 -20.785 1.00 0.00 C ATOM 1402 C GLN A 81 -26.726 56.094 -21.148 1.00 0.00 C ATOM 1403 O GLN A 81 -27.234 56.804 -20.281 1.00 0.00 O ATOM 1404 CB GLN A 81 -26.169 54.018 -19.828 1.00 0.00 C ATOM 1405 CG GLN A 81 -26.468 54.615 -18.452 1.00 0.00 C ATOM 1406 CD GLN A 81 -25.657 53.911 -17.361 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -25.579 52.695 -17.297 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -25.060 54.740 -16.511 1.00 0.00 N ATOM 0 H GLN A 81 -24.719 56.519 -19.559 1.00 0.00 H new ATOM 0 HA GLN A 81 -25.314 54.582 -21.697 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -27.075 53.576 -20.241 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -25.439 53.215 -19.729 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -26.234 55.680 -18.455 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -27.532 54.523 -18.235 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -25.167 55.748 -16.622 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.495 54.368 -15.748 1.00 0.00 H new ATOM 1417 N ALA A 82 -27.054 56.126 -22.431 1.00 0.00 N ATOM 1418 CA ALA A 82 -28.076 57.035 -22.920 1.00 0.00 C ATOM 1419 C ALA A 82 -29.266 56.226 -23.440 1.00 0.00 C ATOM 1420 O ALA A 82 -29.308 55.007 -23.284 1.00 0.00 O ATOM 1421 CB ALA A 82 -27.478 57.947 -23.993 1.00 0.00 C ATOM 0 H ALA A 82 -26.630 55.537 -23.147 1.00 0.00 H new ATOM 0 HA ALA A 82 -28.438 57.674 -22.114 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -28.245 58.629 -24.360 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -26.656 58.521 -23.566 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -27.106 57.341 -24.819 1.00 0.00 H new ATOM 1427 N ASN A 83 -30.204 56.938 -24.048 1.00 0.00 N ATOM 1428 CA ASN A 83 -31.392 56.301 -24.591 1.00 0.00 C ATOM 1429 C ASN A 83 -32.165 55.621 -23.459 1.00 0.00 C ATOM 1430 O ASN A 83 -31.573 55.184 -22.474 1.00 0.00 O ATOM 1431 CB ASN A 83 -31.021 55.231 -25.620 1.00 0.00 C ATOM 1432 CG ASN A 83 -31.072 55.795 -27.041 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -30.480 56.816 -27.353 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -31.810 55.077 -27.882 1.00 0.00 N ATOM 0 H ASN A 83 -30.165 57.949 -24.176 1.00 0.00 H new ATOM 0 HA ASN A 83 -31.997 57.070 -25.072 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -30.021 54.852 -25.411 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -31.706 54.387 -25.535 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -31.907 55.371 -28.854 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -32.279 54.232 -27.555 1.00 0.00 H new ATOM 1441 N THR A 84 -33.476 55.553 -23.639 1.00 0.00 N ATOM 1442 CA THR A 84 -34.336 54.934 -22.645 1.00 0.00 C ATOM 1443 C THR A 84 -33.691 53.657 -22.102 1.00 0.00 C ATOM 1444 O THR A 84 -33.727 53.401 -20.900 1.00 0.00 O ATOM 1445 CB THR A 84 -35.705 54.698 -23.285 1.00 0.00 C ATOM 1446 OG1 THR A 84 -35.437 53.797 -24.356 1.00 0.00 O ATOM 1447 CG2 THR A 84 -36.251 55.948 -23.978 1.00 0.00 C ATOM 0 H THR A 84 -33.963 55.916 -24.458 1.00 0.00 H new ATOM 0 HA THR A 84 -34.473 55.584 -21.781 1.00 0.00 H new ATOM 0 HB THR A 84 -36.410 54.369 -22.522 1.00 0.00 H new ATOM 0 HG1 THR A 84 -36.272 53.589 -24.825 1.00 0.00 H new ATOM 0 HG21 THR A 84 -37.224 55.726 -24.415 1.00 0.00 H new ATOM 0 HG22 THR A 84 -36.356 56.752 -23.249 1.00 0.00 H new ATOM 0 HG23 THR A 84 -35.562 56.258 -24.764 1.00 0.00 H new ATOM 1455 N LEU A 85 -33.114 52.889 -23.016 1.00 0.00 N ATOM 1456 CA LEU A 85 -32.462 51.646 -22.644 1.00 0.00 C ATOM 1457 C LEU A 85 -31.925 50.961 -23.902 1.00 0.00 C ATOM 1458 O LEU A 85 -30.857 50.350 -23.874 1.00 0.00 O ATOM 1459 CB LEU A 85 -33.409 50.768 -21.823 1.00 0.00 C ATOM 1460 CG LEU A 85 -34.801 50.544 -22.417 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -35.289 49.120 -22.148 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -35.790 51.595 -21.909 1.00 0.00 C ATOM 0 H LEU A 85 -33.085 53.104 -24.013 1.00 0.00 H new ATOM 0 HA LEU A 85 -31.607 51.843 -21.997 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -32.937 49.796 -21.678 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -33.525 51.217 -20.836 1.00 0.00 H new ATOM 0 HG LEU A 85 -34.734 50.662 -23.498 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -36.281 48.987 -22.581 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -34.598 48.407 -22.599 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -35.337 48.949 -21.073 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -36.771 51.413 -22.347 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -35.860 51.534 -20.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -35.444 52.588 -22.195 1.00 0.00 H new ATOM 1474 N VAL A 86 -32.690 51.084 -24.977 1.00 0.00 N ATOM 1475 CA VAL A 86 -32.305 50.485 -26.243 1.00 0.00 C ATOM 1476 C VAL A 86 -31.842 49.046 -26.002 1.00 0.00 C ATOM 1477 O VAL A 86 -30.993 48.533 -26.729 1.00 0.00 O ATOM 1478 CB VAL A 86 -31.243 51.347 -26.929 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -29.905 51.258 -26.193 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -31.087 50.957 -28.400 1.00 0.00 C ATOM 0 H VAL A 86 -33.575 51.590 -24.997 1.00 0.00 H new ATOM 0 HA VAL A 86 -33.158 50.443 -26.920 1.00 0.00 H new ATOM 0 HB VAL A 86 -31.577 52.384 -26.891 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -29.168 51.880 -26.701 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -30.030 51.607 -25.168 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -29.563 50.223 -26.184 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -30.326 51.585 -28.864 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -30.787 49.912 -28.469 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -32.037 51.096 -28.916 1.00 0.00 H new ATOM 1490 N ASP A 87 -32.421 48.437 -24.977 1.00 0.00 N ATOM 1491 CA ASP A 87 -32.079 47.068 -24.631 1.00 0.00 C ATOM 1492 C ASP A 87 -32.444 46.145 -25.795 1.00 0.00 C ATOM 1493 O ASP A 87 -31.645 45.949 -26.710 1.00 0.00 O ATOM 1494 CB ASP A 87 -32.854 46.602 -23.397 1.00 0.00 C ATOM 1495 CG ASP A 87 -32.251 47.024 -22.056 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -31.154 47.600 -22.003 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -32.965 46.733 -21.022 1.00 0.00 O ATOM 0 H ASP A 87 -33.124 48.866 -24.376 1.00 0.00 H new ATOM 0 HA ASP A 87 -31.010 47.031 -24.421 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -33.871 46.989 -23.458 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -32.924 45.515 -23.420 1.00 0.00 H new ATOM 1503 N LEU A 88 -33.650 45.603 -25.723 1.00 0.00 N ATOM 1504 CA LEU A 88 -34.131 44.705 -26.760 1.00 0.00 C ATOM 1505 C LEU A 88 -32.982 43.808 -27.224 1.00 0.00 C ATOM 1506 O LEU A 88 -32.960 43.364 -28.371 1.00 0.00 O ATOM 1507 CB LEU A 88 -34.788 45.497 -27.892 1.00 0.00 C ATOM 1508 CG LEU A 88 -33.836 46.158 -28.890 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -33.772 45.364 -30.196 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -34.218 47.621 -29.127 1.00 0.00 C ATOM 0 H LEU A 88 -34.309 45.768 -24.962 1.00 0.00 H new ATOM 0 HA LEU A 88 -34.909 44.050 -26.367 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -35.450 44.827 -28.441 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -35.414 46.272 -27.450 1.00 0.00 H new ATOM 0 HG LEU A 88 -32.834 46.152 -28.460 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -33.088 45.856 -30.888 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -33.417 44.354 -29.991 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -34.766 45.315 -30.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -33.525 48.067 -29.840 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -35.232 47.673 -29.525 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -34.170 48.167 -28.185 1.00 0.00 H new ATOM 1522 N ALA A 89 -32.054 43.568 -26.309 1.00 0.00 N ATOM 1523 CA ALA A 89 -30.904 42.731 -26.611 1.00 0.00 C ATOM 1524 C ALA A 89 -30.237 43.233 -27.893 1.00 0.00 C ATOM 1525 O ALA A 89 -30.564 42.776 -28.987 1.00 0.00 O ATOM 1526 CB ALA A 89 -31.349 41.271 -26.718 1.00 0.00 C ATOM 0 H ALA A 89 -32.075 43.938 -25.359 1.00 0.00 H new ATOM 0 HA ALA A 89 -30.166 42.789 -25.811 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -30.487 40.644 -26.944 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -31.790 40.955 -25.773 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -32.088 41.173 -27.513 1.00 0.00 H new ATOM 1532 N LYS A 90 -29.312 44.165 -27.715 1.00 0.00 N ATOM 1533 CA LYS A 90 -28.595 44.733 -28.844 1.00 0.00 C ATOM 1534 C LYS A 90 -27.593 43.707 -29.375 1.00 0.00 C ATOM 1535 O LYS A 90 -26.390 43.964 -29.399 1.00 0.00 O ATOM 1536 CB LYS A 90 -27.960 46.071 -28.457 1.00 0.00 C ATOM 1537 CG LYS A 90 -26.853 45.872 -27.420 1.00 0.00 C ATOM 1538 CD LYS A 90 -26.588 47.166 -26.647 1.00 0.00 C ATOM 1539 CE LYS A 90 -26.800 46.961 -25.145 1.00 0.00 C ATOM 1540 NZ LYS A 90 -28.066 47.591 -24.709 1.00 0.00 N ATOM 0 H LYS A 90 -29.043 44.541 -26.806 1.00 0.00 H new ATOM 0 HA LYS A 90 -29.283 44.957 -29.659 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -27.550 46.553 -29.344 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -28.723 46.738 -28.056 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -27.138 45.081 -26.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -25.939 45.547 -27.916 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -25.567 47.501 -26.831 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -27.252 47.952 -27.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -26.820 45.895 -24.917 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -25.964 47.390 -24.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -28.194 47.442 -23.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -28.033 48.611 -24.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -28.862 47.163 -25.224 1.00 0.00 H new ATOM 1553 N THR A 91 -28.125 42.566 -29.787 1.00 0.00 N ATOM 1554 CA THR A 91 -27.291 41.499 -30.315 1.00 0.00 C ATOM 1555 C THR A 91 -26.067 41.286 -29.422 1.00 0.00 C ATOM 1556 O THR A 91 -25.033 40.808 -29.884 1.00 0.00 O ATOM 1557 CB THR A 91 -26.934 41.851 -31.761 1.00 0.00 C ATOM 1558 OG1 THR A 91 -26.190 43.061 -31.651 1.00 0.00 O ATOM 1559 CG2 THR A 91 -28.161 42.242 -32.588 1.00 0.00 C ATOM 0 H THR A 91 -29.123 42.357 -29.766 1.00 0.00 H new ATOM 0 HA THR A 91 -27.821 40.547 -30.317 1.00 0.00 H new ATOM 0 HB THR A 91 -26.436 41.002 -32.229 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.871 43.166 -30.730 1.00 0.00 H new ATOM 0 HG21 THR A 91 -27.853 42.482 -33.605 1.00 0.00 H new ATOM 0 HG22 THR A 91 -28.866 41.411 -32.609 1.00 0.00 H new ATOM 0 HG23 THR A 91 -28.640 43.112 -32.139 1.00 0.00 H new ATOM 1567 N GLN A 92 -26.226 41.652 -28.159 1.00 0.00 N ATOM 1568 CA GLN A 92 -25.146 41.508 -27.197 1.00 0.00 C ATOM 1569 C GLN A 92 -23.824 41.974 -27.808 1.00 0.00 C ATOM 1570 O GLN A 92 -22.809 41.287 -27.700 1.00 0.00 O ATOM 1571 CB GLN A 92 -25.043 40.063 -26.702 1.00 0.00 C ATOM 1572 CG GLN A 92 -25.725 39.899 -25.343 1.00 0.00 C ATOM 1573 CD GLN A 92 -26.007 38.424 -25.046 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -25.419 37.525 -25.623 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -26.938 38.228 -24.116 1.00 0.00 N ATOM 0 H GLN A 92 -27.086 42.048 -27.779 1.00 0.00 H new ATOM 0 HA GLN A 92 -25.366 42.138 -26.335 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -25.504 39.393 -27.427 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -23.995 39.776 -26.624 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -25.091 40.316 -24.561 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -26.659 40.461 -25.330 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -27.391 39.027 -23.672 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -27.198 37.279 -23.847 1.00 0.00 H new TER 1584 GLN A 92