USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN :FLIP amide:sc= 0.121 F(o=-0.76,f=0.12) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0923 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -58:sc= 0.806 USER MOD Single : A 6 SER OG : rot 155:sc= -0.796 USER MOD Single : A 9 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.009) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 148:sc= -1.32 (180deg=-3.58!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 32 MET CE :methyl -177:sc=-4.94e-05 (180deg=-0.0153) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -91:sc= 0.634 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.24 USER MOD Single : A 53 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -1.47 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 69 MET CE :methyl -113:sc= -2.76 (180deg=-6.22!) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.00426 F(o=-1.3,f=-0.0043) USER MOD Single : A 75 ASN : amide:sc= -2.89 X(o=-2.9,f=-3.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 150:sc= -0.134 (180deg=-0.76) USER MOD Single : A 83 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.75) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.046 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.703 24.011 31.278 1.00 0.00 N ATOM 2 CA GLY A 1 4.727 24.872 30.555 1.00 0.00 C ATOM 3 C GLY A 1 5.357 25.612 29.392 1.00 0.00 C ATOM 4 O GLY A 1 6.526 25.400 29.072 1.00 0.00 O ATOM 0 H1 GLY A 1 5.370 23.026 31.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.630 24.067 30.809 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.792 24.338 32.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.906 24.256 30.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.298 25.593 31.251 1.00 0.00 H new ATOM 10 N SER A 2 4.580 26.485 28.758 1.00 0.00 N ATOM 11 CA SER A 2 5.069 27.260 27.624 1.00 0.00 C ATOM 12 C SER A 2 5.916 28.438 28.094 1.00 0.00 C ATOM 13 O SER A 2 6.100 28.643 29.295 1.00 0.00 O ATOM 14 CB SER A 2 3.896 27.765 26.781 1.00 0.00 C ATOM 15 OG SER A 2 2.967 28.480 27.577 1.00 0.00 O ATOM 0 H SER A 2 3.610 26.673 29.011 1.00 0.00 H new ATOM 0 HA SER A 2 5.693 26.608 27.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.268 28.409 25.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.397 26.921 26.304 1.00 0.00 H new ATOM 0 HG SER A 2 2.228 28.794 27.015 1.00 0.00 H new ATOM 21 N SER A 3 6.431 29.208 27.142 1.00 0.00 N ATOM 22 CA SER A 3 7.259 30.366 27.458 1.00 0.00 C ATOM 23 C SER A 3 6.952 31.528 26.519 1.00 0.00 C ATOM 24 O SER A 3 6.770 32.663 26.960 1.00 0.00 O ATOM 25 CB SER A 3 8.741 29.999 27.367 1.00 0.00 C ATOM 26 OG SER A 3 9.203 29.437 28.583 1.00 0.00 O ATOM 0 H SER A 3 6.290 29.051 26.144 1.00 0.00 H new ATOM 0 HA SER A 3 7.031 30.677 28.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.894 29.290 26.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.325 30.888 27.129 1.00 0.00 H new ATOM 0 HG SER A 3 10.152 29.209 28.498 1.00 0.00 H new ATOM 32 N GLY A 4 6.895 31.236 25.225 1.00 0.00 N ATOM 33 CA GLY A 4 6.610 32.267 24.244 1.00 0.00 C ATOM 34 C GLY A 4 6.491 31.712 22.838 1.00 0.00 C ATOM 35 O GLY A 4 7.472 31.241 22.264 1.00 0.00 O ATOM 0 H GLY A 4 7.041 30.304 24.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.682 32.772 24.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.400 33.017 24.270 1.00 0.00 H new ATOM 39 N SER A 5 5.284 31.768 22.283 1.00 0.00 N ATOM 40 CA SER A 5 5.039 31.268 20.936 1.00 0.00 C ATOM 41 C SER A 5 5.352 29.777 20.844 1.00 0.00 C ATOM 42 O SER A 5 5.924 29.312 19.856 1.00 0.00 O ATOM 43 CB SER A 5 5.882 32.043 19.920 1.00 0.00 C ATOM 44 OG SER A 5 5.611 31.613 18.597 1.00 0.00 O ATOM 0 H SER A 5 4.461 32.155 22.746 1.00 0.00 H new ATOM 0 HA SER A 5 3.983 31.414 20.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.674 33.109 20.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.940 31.905 20.141 1.00 0.00 H new ATOM 0 HG SER A 5 5.796 30.654 18.521 1.00 0.00 H new ATOM 50 N SER A 6 4.973 29.033 21.877 1.00 0.00 N ATOM 51 CA SER A 6 5.214 27.595 21.913 1.00 0.00 C ATOM 52 C SER A 6 3.897 26.824 21.955 1.00 0.00 C ATOM 53 O SER A 6 2.829 27.410 22.134 1.00 0.00 O ATOM 54 CB SER A 6 6.070 27.231 23.127 1.00 0.00 C ATOM 55 OG SER A 6 5.681 27.976 24.268 1.00 0.00 O ATOM 0 H SER A 6 4.498 29.402 22.701 1.00 0.00 H new ATOM 0 HA SER A 6 5.748 27.318 21.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.976 26.165 23.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.120 27.421 22.905 1.00 0.00 H new ATOM 0 HG SER A 6 5.926 27.484 25.079 1.00 0.00 H new ATOM 61 N GLY A 7 3.982 25.509 21.790 1.00 0.00 N ATOM 62 CA GLY A 7 2.791 24.680 21.811 1.00 0.00 C ATOM 63 C GLY A 7 3.105 23.208 21.633 1.00 0.00 C ATOM 64 O GLY A 7 4.134 22.850 21.059 1.00 0.00 O ATOM 0 H GLY A 7 4.855 25.002 21.642 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.268 24.825 22.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.114 25.002 21.020 1.00 0.00 H new ATOM 68 N LEU A 8 2.217 22.351 22.126 1.00 0.00 N ATOM 69 CA LEU A 8 2.404 20.909 22.019 1.00 0.00 C ATOM 70 C LEU A 8 2.177 20.437 20.586 1.00 0.00 C ATOM 71 O LEU A 8 3.029 19.768 20.001 1.00 0.00 O ATOM 72 CB LEU A 8 1.450 20.178 22.965 1.00 0.00 C ATOM 73 CG LEU A 8 1.996 18.879 23.560 1.00 0.00 C ATOM 74 CD1 LEU A 8 2.688 19.149 24.887 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.879 17.862 23.736 1.00 0.00 C ATOM 0 H LEU A 8 1.360 22.631 22.604 1.00 0.00 H new ATOM 0 HA LEU A 8 3.431 20.679 22.301 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.186 20.851 23.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.529 19.954 22.426 1.00 0.00 H new ATOM 0 HG LEU A 8 2.730 18.466 22.868 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.070 18.213 25.295 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.515 19.842 24.732 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.975 19.586 25.587 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.286 16.944 24.160 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.121 18.267 24.406 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.428 17.645 22.767 1.00 0.00 H new ATOM 87 N GLN A 9 1.025 20.789 20.028 1.00 0.00 N ATOM 88 CA GLN A 9 0.686 20.402 18.663 1.00 0.00 C ATOM 89 C GLN A 9 -0.366 21.337 18.078 1.00 0.00 C ATOM 90 O GLN A 9 -1.400 21.590 18.696 1.00 0.00 O ATOM 91 CB GLN A 9 0.176 18.959 18.632 1.00 0.00 C ATOM 92 CG GLN A 9 0.505 18.226 17.342 1.00 0.00 C ATOM 93 CD GLN A 9 -0.386 17.021 17.113 1.00 0.00 C ATOM 94 OE1 GLN A 9 -0.043 15.900 17.489 1.00 0.00 O ATOM 95 NE2 GLN A 9 -1.538 17.247 16.493 1.00 0.00 N ATOM 0 H GLN A 9 0.309 21.342 20.499 1.00 0.00 H new ATOM 0 HA GLN A 9 1.589 20.475 18.056 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.606 18.412 19.471 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.905 18.961 18.774 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.404 18.913 16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.546 17.904 17.367 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.782 18.193 16.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.179 16.475 16.311 1.00 0.00 H new ATOM 104 N GLN A 10 -0.095 21.850 16.881 1.00 0.00 N ATOM 105 CA GLN A 10 -1.018 22.758 16.211 1.00 0.00 C ATOM 106 C GLN A 10 -1.720 22.062 15.050 1.00 0.00 C ATOM 107 O GLN A 10 -1.416 22.314 13.885 1.00 0.00 O ATOM 108 CB GLN A 10 -0.272 23.995 15.706 1.00 0.00 C ATOM 109 CG GLN A 10 -1.192 25.121 15.262 1.00 0.00 C ATOM 110 CD GLN A 10 -1.312 26.219 16.300 1.00 0.00 C ATOM 111 OE1 GLN A 10 -0.705 27.282 16.170 1.00 0.00 O ATOM 112 NE2 GLN A 10 -2.098 25.966 17.340 1.00 0.00 N ATOM 0 H GLN A 10 0.757 21.652 16.356 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.773 23.068 16.934 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.383 24.362 16.496 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.367 23.708 14.871 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.817 25.546 14.331 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.182 24.715 15.052 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.582 25.071 17.407 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.217 26.667 18.071 1.00 0.00 H new ATOM 121 N GLN A 11 -2.663 21.184 15.377 1.00 0.00 N ATOM 122 CA GLN A 11 -3.409 20.450 14.363 1.00 0.00 C ATOM 123 C GLN A 11 -2.474 19.615 13.494 1.00 0.00 C ATOM 124 O GLN A 11 -1.252 19.726 13.597 1.00 0.00 O ATOM 125 CB GLN A 11 -4.208 21.418 13.487 1.00 0.00 C ATOM 126 CG GLN A 11 -5.516 21.870 14.117 1.00 0.00 C ATOM 127 CD GLN A 11 -5.548 23.362 14.391 1.00 0.00 C ATOM 128 OE1 GLN A 11 -5.671 23.792 15.538 1.00 0.00 O ATOM 129 NE2 GLN A 11 -5.435 24.159 13.336 1.00 0.00 N ATOM 0 H GLN A 11 -2.928 20.964 16.337 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.098 19.777 14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.595 22.294 13.275 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.421 20.939 12.531 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.343 21.608 13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.671 21.330 15.051 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.335 23.759 12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.448 25.172 13.458 1.00 0.00 H new ATOM 138 N GLU A 12 -3.055 18.779 12.640 1.00 0.00 N ATOM 139 CA GLU A 12 -2.273 17.925 11.754 1.00 0.00 C ATOM 140 C GLU A 12 -1.376 16.987 12.555 1.00 0.00 C ATOM 141 O GLU A 12 -1.152 17.194 13.747 1.00 0.00 O ATOM 142 CB GLU A 12 -1.424 18.778 10.809 1.00 0.00 C ATOM 143 CG GLU A 12 -2.238 19.512 9.756 1.00 0.00 C ATOM 144 CD GLU A 12 -1.777 20.943 9.555 1.00 0.00 C ATOM 145 OE1 GLU A 12 -1.840 21.729 10.523 1.00 0.00 O ATOM 146 OE2 GLU A 12 -1.351 21.276 8.429 1.00 0.00 O ATOM 0 H GLU A 12 -4.065 18.675 12.543 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.965 17.322 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.863 19.506 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.695 18.138 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.169 18.976 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.288 19.510 10.047 1.00 0.00 H new ATOM 153 N GLU A 13 -0.867 15.954 11.890 1.00 0.00 N ATOM 154 CA GLU A 13 0.005 14.984 12.542 1.00 0.00 C ATOM 155 C GLU A 13 1.200 14.645 11.655 1.00 0.00 C ATOM 156 O GLU A 13 2.350 14.757 12.079 1.00 0.00 O ATOM 157 CB GLU A 13 -0.774 13.709 12.874 1.00 0.00 C ATOM 158 CG GLU A 13 -2.004 13.955 13.732 1.00 0.00 C ATOM 159 CD GLU A 13 -3.059 12.880 13.560 1.00 0.00 C ATOM 160 OE1 GLU A 13 -3.300 12.465 12.406 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.646 12.455 14.577 1.00 0.00 O ATOM 0 H GLU A 13 -1.043 15.768 10.903 1.00 0.00 H new ATOM 0 HA GLU A 13 0.374 15.428 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.079 13.227 11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.113 13.014 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.708 14.004 14.780 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.433 14.924 13.477 1.00 0.00 H new ATOM 168 N GLU A 14 0.918 14.233 10.424 1.00 0.00 N ATOM 169 CA GLU A 14 1.970 13.880 9.477 1.00 0.00 C ATOM 170 C GLU A 14 1.737 14.552 8.128 1.00 0.00 C ATOM 171 O GLU A 14 0.822 15.362 7.978 1.00 0.00 O ATOM 172 CB GLU A 14 2.038 12.361 9.301 1.00 0.00 C ATOM 173 CG GLU A 14 3.456 11.825 9.184 1.00 0.00 C ATOM 174 CD GLU A 14 3.724 10.672 10.133 1.00 0.00 C ATOM 175 OE1 GLU A 14 2.757 9.976 10.510 1.00 0.00 O ATOM 176 OE2 GLU A 14 4.900 10.465 10.497 1.00 0.00 O ATOM 0 H GLU A 14 -0.029 14.135 10.058 1.00 0.00 H new ATOM 0 HA GLU A 14 2.919 14.235 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.547 11.883 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.478 12.082 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.633 11.496 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.163 12.630 9.387 1.00 0.00 H new ATOM 183 N THR A 15 2.568 14.210 7.150 1.00 0.00 N ATOM 184 CA THR A 15 2.449 14.780 5.813 1.00 0.00 C ATOM 185 C THR A 15 3.311 14.013 4.815 1.00 0.00 C ATOM 186 O THR A 15 4.436 14.413 4.514 1.00 0.00 O ATOM 187 CB THR A 15 2.858 16.255 5.827 1.00 0.00 C ATOM 188 OG1 THR A 15 2.962 16.759 4.509 1.00 0.00 O ATOM 189 CG2 THR A 15 4.180 16.502 6.520 1.00 0.00 C ATOM 0 H THR A 15 3.331 13.541 7.258 1.00 0.00 H new ATOM 0 HA THR A 15 1.407 14.700 5.503 1.00 0.00 H new ATOM 0 HB THR A 15 2.073 16.767 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.223 17.703 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.411 17.567 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.115 16.169 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.968 15.948 6.009 1.00 0.00 H new ATOM 197 N TYR A 16 2.775 12.908 4.305 1.00 0.00 N ATOM 198 CA TYR A 16 3.495 12.086 3.341 1.00 0.00 C ATOM 199 C TYR A 16 3.210 12.545 1.914 1.00 0.00 C ATOM 200 O TYR A 16 2.225 12.132 1.303 1.00 0.00 O ATOM 201 CB TYR A 16 3.106 10.615 3.502 1.00 0.00 C ATOM 202 CG TYR A 16 3.771 9.936 4.678 1.00 0.00 C ATOM 203 CD1 TYR A 16 5.047 9.398 4.563 1.00 0.00 C ATOM 204 CD2 TYR A 16 3.123 9.834 5.903 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.658 8.777 5.635 1.00 0.00 C ATOM 206 CE2 TYR A 16 3.729 9.215 6.979 1.00 0.00 C ATOM 207 CZ TYR A 16 4.995 8.688 6.841 1.00 0.00 C ATOM 208 OH TYR A 16 5.601 8.070 7.911 1.00 0.00 O ATOM 0 H TYR A 16 1.845 12.562 4.544 1.00 0.00 H new ATOM 0 HA TYR A 16 4.562 12.196 3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.024 10.545 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.365 10.078 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.569 9.466 3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.131 10.245 6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.650 8.363 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.213 9.144 7.925 1.00 0.00 H new ATOM 0 HH TYR A 16 5.001 8.093 8.685 1.00 0.00 H new ATOM 218 N ALA A 17 4.079 13.404 1.391 1.00 0.00 N ATOM 219 CA ALA A 17 3.921 13.919 0.036 1.00 0.00 C ATOM 220 C ALA A 17 5.048 13.436 -0.871 1.00 0.00 C ATOM 221 O ALA A 17 5.451 14.133 -1.802 1.00 0.00 O ATOM 222 CB ALA A 17 3.872 15.440 0.054 1.00 0.00 C ATOM 0 H ALA A 17 4.899 13.758 1.884 1.00 0.00 H new ATOM 0 HA ALA A 17 2.981 13.539 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.754 15.812 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.029 15.770 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.798 15.829 0.477 1.00 0.00 H new ATOM 228 N ASP A 18 5.553 12.239 -0.593 1.00 0.00 N ATOM 229 CA ASP A 18 6.633 11.663 -1.385 1.00 0.00 C ATOM 230 C ASP A 18 6.543 10.140 -1.403 1.00 0.00 C ATOM 231 O ASP A 18 7.556 9.451 -1.520 1.00 0.00 O ATOM 232 CB ASP A 18 7.990 12.098 -0.828 1.00 0.00 C ATOM 233 CG ASP A 18 8.450 13.425 -1.400 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.455 13.567 -2.641 1.00 0.00 O ATOM 235 OD2 ASP A 18 8.806 14.322 -0.607 1.00 0.00 O ATOM 0 H ASP A 18 5.232 11.649 0.175 1.00 0.00 H new ATOM 0 HA ASP A 18 6.533 12.027 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.926 12.176 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.733 11.332 -1.050 1.00 0.00 H new ATOM 240 N ALA A 19 5.326 9.620 -1.285 1.00 0.00 N ATOM 241 CA ALA A 19 5.106 8.179 -1.288 1.00 0.00 C ATOM 242 C ALA A 19 4.414 7.732 -2.572 1.00 0.00 C ATOM 243 O ALA A 19 3.490 8.389 -3.051 1.00 0.00 O ATOM 244 CB ALA A 19 4.286 7.769 -0.074 1.00 0.00 C ATOM 0 H ALA A 19 4.476 10.176 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 19 6.078 7.687 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.129 6.690 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.819 8.046 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.322 8.276 -0.098 1.00 0.00 H new ATOM 250 N CYS A 20 4.868 6.611 -3.122 1.00 0.00 N ATOM 251 CA CYS A 20 4.293 6.076 -4.350 1.00 0.00 C ATOM 252 C CYS A 20 2.942 5.422 -4.078 1.00 0.00 C ATOM 253 O CYS A 20 2.586 5.165 -2.927 1.00 0.00 O ATOM 254 CB CYS A 20 5.245 5.061 -4.985 1.00 0.00 C ATOM 255 SG CYS A 20 6.651 5.806 -5.844 1.00 0.00 S ATOM 0 H CYS A 20 5.632 6.056 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 20 4.143 6.905 -5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.619 4.394 -4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.686 4.446 -5.690 1.00 0.00 H new ATOM 0 HG CYS A 20 7.399 4.869 -6.345 1.00 0.00 H new ATOM 261 N ASP A 21 2.193 5.156 -5.143 1.00 0.00 N ATOM 262 CA ASP A 21 0.881 4.532 -5.019 1.00 0.00 C ATOM 263 C ASP A 21 0.984 3.169 -4.339 1.00 0.00 C ATOM 264 O ASP A 21 0.043 2.718 -3.687 1.00 0.00 O ATOM 265 CB ASP A 21 0.233 4.380 -6.398 1.00 0.00 C ATOM 266 CG ASP A 21 -0.696 5.531 -6.730 1.00 0.00 C ATOM 267 OD1 ASP A 21 -1.646 5.770 -5.956 1.00 0.00 O ATOM 268 OD2 ASP A 21 -0.472 6.195 -7.764 1.00 0.00 O ATOM 0 H ASP A 21 2.472 5.363 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 21 0.258 5.178 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.012 4.315 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.325 3.444 -6.433 1.00 0.00 H new ATOM 273 N GLU A 22 2.133 2.518 -4.498 1.00 0.00 N ATOM 274 CA GLU A 22 2.357 1.206 -3.900 1.00 0.00 C ATOM 275 C GLU A 22 2.175 1.257 -2.386 1.00 0.00 C ATOM 276 O GLU A 22 1.763 0.276 -1.766 1.00 0.00 O ATOM 277 CB GLU A 22 3.761 0.701 -4.240 1.00 0.00 C ATOM 278 CG GLU A 22 3.819 -0.792 -4.519 1.00 0.00 C ATOM 279 CD GLU A 22 5.240 -1.316 -4.594 1.00 0.00 C ATOM 280 OE1 GLU A 22 6.013 -1.072 -3.644 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.580 -1.969 -5.603 1.00 0.00 O ATOM 0 H GLU A 22 2.922 2.877 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 22 1.620 0.517 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.131 1.240 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.432 0.934 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.280 -1.325 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.308 -1.003 -5.458 1.00 0.00 H new ATOM 288 N PHE A 23 2.483 2.408 -1.796 1.00 0.00 N ATOM 289 CA PHE A 23 2.352 2.586 -0.354 1.00 0.00 C ATOM 290 C PHE A 23 1.049 3.300 -0.011 1.00 0.00 C ATOM 291 O PHE A 23 0.444 3.043 1.031 1.00 0.00 O ATOM 292 CB PHE A 23 3.540 3.379 0.192 1.00 0.00 C ATOM 293 CG PHE A 23 4.871 2.740 -0.089 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.051 1.377 0.083 1.00 0.00 C ATOM 295 CD2 PHE A 23 5.942 3.504 -0.524 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.274 0.787 -0.174 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.168 2.919 -0.783 1.00 0.00 C ATOM 298 CZ PHE A 23 7.334 1.559 -0.607 1.00 0.00 C ATOM 0 H PHE A 23 2.825 3.230 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 23 2.338 1.600 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.528 4.379 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.423 3.497 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.226 0.768 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.818 4.568 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.401 -0.277 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.995 3.525 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.291 1.100 -0.808 1.00 0.00 H new ATOM 308 N LEU A 24 0.623 4.199 -0.892 1.00 0.00 N ATOM 309 CA LEU A 24 -0.608 4.951 -0.681 1.00 0.00 C ATOM 310 C LEU A 24 -1.831 4.061 -0.871 1.00 0.00 C ATOM 311 O LEU A 24 -1.876 3.237 -1.785 1.00 0.00 O ATOM 312 CB LEU A 24 -0.675 6.139 -1.644 1.00 0.00 C ATOM 313 CG LEU A 24 0.267 7.297 -1.310 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.251 8.334 -2.423 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.120 7.930 0.018 1.00 0.00 C ATOM 0 H LEU A 24 1.112 4.424 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.606 5.320 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.449 5.785 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.698 6.516 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 24 1.280 6.905 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.927 9.151 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.575 7.872 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.760 8.723 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.560 8.752 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.140 8.309 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.058 7.183 0.809 1.00 0.00 H new ATOM 327 N ASP A 25 -2.823 4.233 -0.003 1.00 0.00 N ATOM 328 CA ASP A 25 -4.048 3.445 -0.075 1.00 0.00 C ATOM 329 C ASP A 25 -4.870 3.833 -1.303 1.00 0.00 C ATOM 330 O ASP A 25 -4.927 5.006 -1.675 1.00 0.00 O ATOM 331 CB ASP A 25 -4.879 3.641 1.195 1.00 0.00 C ATOM 332 CG ASP A 25 -5.479 2.345 1.701 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.781 1.612 2.433 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.649 2.061 1.366 1.00 0.00 O ATOM 0 H ASP A 25 -2.802 4.911 0.759 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.773 2.394 -0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.251 4.075 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.679 4.355 0.996 1.00 0.00 H new ATOM 339 N PRO A 26 -5.520 2.852 -1.953 1.00 0.00 N ATOM 340 CA PRO A 26 -6.339 3.105 -3.144 1.00 0.00 C ATOM 341 C PRO A 26 -7.622 3.862 -2.818 1.00 0.00 C ATOM 342 O PRO A 26 -8.174 4.562 -3.667 1.00 0.00 O ATOM 343 CB PRO A 26 -6.665 1.701 -3.656 1.00 0.00 C ATOM 344 CG PRO A 26 -6.581 0.829 -2.453 1.00 0.00 C ATOM 345 CD PRO A 26 -5.509 1.425 -1.582 1.00 0.00 C ATOM 0 HA PRO A 26 -5.817 3.729 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.658 1.664 -4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.958 1.386 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.536 0.795 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.333 -0.196 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.727 1.284 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.538 0.968 -1.771 1.00 0.00 H new ATOM 353 N ILE A 27 -8.093 3.718 -1.583 1.00 0.00 N ATOM 354 CA ILE A 27 -9.313 4.388 -1.147 1.00 0.00 C ATOM 355 C ILE A 27 -9.002 5.540 -0.198 1.00 0.00 C ATOM 356 O ILE A 27 -9.478 6.659 -0.387 1.00 0.00 O ATOM 357 CB ILE A 27 -10.272 3.407 -0.448 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.445 2.140 -1.287 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.619 4.071 -0.198 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.307 1.089 -0.624 1.00 0.00 C ATOM 0 H ILE A 27 -7.648 3.144 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.794 4.781 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.842 3.126 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.886 2.407 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.463 1.715 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.286 3.365 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.481 4.946 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.055 4.378 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.386 0.219 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.856 0.793 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.301 1.496 -0.441 1.00 0.00 H new ATOM 372 N MET A 28 -8.202 5.258 0.826 1.00 0.00 N ATOM 373 CA MET A 28 -7.830 6.270 1.807 1.00 0.00 C ATOM 374 C MET A 28 -6.861 7.286 1.208 1.00 0.00 C ATOM 375 O MET A 28 -6.810 8.438 1.640 1.00 0.00 O ATOM 376 CB MET A 28 -7.201 5.613 3.037 1.00 0.00 C ATOM 377 CG MET A 28 -8.220 5.040 4.008 1.00 0.00 C ATOM 378 SD MET A 28 -8.850 6.275 5.161 1.00 0.00 S ATOM 379 CE MET A 28 -10.121 7.050 4.167 1.00 0.00 C ATOM 0 H MET A 28 -7.799 4.337 0.997 1.00 0.00 H new ATOM 0 HA MET A 28 -8.737 6.795 2.107 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.533 4.815 2.711 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.588 6.349 3.558 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.052 4.615 3.447 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.763 4.224 4.569 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.934 7.383 4.812 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.700 7.907 3.642 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.504 6.332 3.442 1.00 0.00 H new ATOM 389 N SER A 29 -6.093 6.854 0.212 1.00 0.00 N ATOM 390 CA SER A 29 -5.127 7.730 -0.442 1.00 0.00 C ATOM 391 C SER A 29 -4.081 8.225 0.553 1.00 0.00 C ATOM 392 O SER A 29 -3.562 9.333 0.422 1.00 0.00 O ATOM 393 CB SER A 29 -5.839 8.920 -1.085 1.00 0.00 C ATOM 394 OG SER A 29 -6.167 8.649 -2.438 1.00 0.00 O ATOM 0 H SER A 29 -6.121 5.904 -0.159 1.00 0.00 H new ATOM 0 HA SER A 29 -4.621 7.156 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.747 9.150 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.200 9.802 -1.032 1.00 0.00 H new ATOM 0 HG SER A 29 -6.623 9.425 -2.826 1.00 0.00 H new ATOM 400 N THR A 30 -3.779 7.397 1.548 1.00 0.00 N ATOM 401 CA THR A 30 -2.796 7.749 2.565 1.00 0.00 C ATOM 402 C THR A 30 -1.783 6.626 2.758 1.00 0.00 C ATOM 403 O THR A 30 -1.897 5.563 2.148 1.00 0.00 O ATOM 404 CB THR A 30 -3.493 8.057 3.892 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.444 7.054 4.202 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.212 9.388 3.896 1.00 0.00 C ATOM 0 H THR A 30 -4.202 6.477 1.671 1.00 0.00 H new ATOM 0 HA THR A 30 -2.263 8.638 2.226 1.00 0.00 H new ATOM 0 HB THR A 30 -2.697 8.091 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.878 7.267 5.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.684 9.544 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.497 10.189 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.974 9.392 3.117 1.00 0.00 H new ATOM 414 N LEU A 31 -0.794 6.869 3.612 1.00 0.00 N ATOM 415 CA LEU A 31 0.240 5.878 3.887 1.00 0.00 C ATOM 416 C LEU A 31 -0.371 4.594 4.442 1.00 0.00 C ATOM 417 O LEU A 31 -1.322 4.635 5.223 1.00 0.00 O ATOM 418 CB LEU A 31 1.263 6.439 4.877 1.00 0.00 C ATOM 419 CG LEU A 31 2.585 5.675 4.946 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.507 6.099 3.813 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.258 5.896 6.293 1.00 0.00 C ATOM 0 H LEU A 31 -0.687 7.744 4.126 1.00 0.00 H new ATOM 0 HA LEU A 31 0.743 5.644 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.473 7.475 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.815 6.450 5.871 1.00 0.00 H new ATOM 0 HG LEU A 31 2.374 4.611 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.443 5.544 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.028 5.890 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.712 7.167 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.198 5.345 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.456 6.959 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.603 5.543 7.089 1.00 0.00 H new ATOM 433 N MET A 32 0.182 3.457 4.032 1.00 0.00 N ATOM 434 CA MET A 32 -0.310 2.162 4.488 1.00 0.00 C ATOM 435 C MET A 32 0.687 1.503 5.438 1.00 0.00 C ATOM 436 O MET A 32 1.846 1.289 5.084 1.00 0.00 O ATOM 437 CB MET A 32 -0.575 1.244 3.294 1.00 0.00 C ATOM 438 CG MET A 32 -1.803 1.632 2.488 1.00 0.00 C ATOM 439 SD MET A 32 -2.373 0.305 1.407 1.00 0.00 S ATOM 440 CE MET A 32 -1.021 0.218 0.235 1.00 0.00 C ATOM 0 H MET A 32 0.970 3.406 3.386 1.00 0.00 H new ATOM 0 HA MET A 32 -1.243 2.327 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.296 1.253 2.639 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.694 0.221 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.607 1.911 3.169 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.575 2.512 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.251 -0.523 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.882 1.193 -0.233 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.107 -0.069 0.755 1.00 0.00 H new ATOM 450 N CYS A 33 0.227 1.185 6.642 1.00 0.00 N ATOM 451 CA CYS A 33 1.078 0.549 7.641 1.00 0.00 C ATOM 452 C CYS A 33 0.960 -0.970 7.567 1.00 0.00 C ATOM 453 O CYS A 33 1.951 -1.688 7.701 1.00 0.00 O ATOM 454 CB CYS A 33 0.705 1.033 9.043 1.00 0.00 C ATOM 455 SG CYS A 33 1.863 0.520 10.334 1.00 0.00 S ATOM 0 H CYS A 33 -0.730 1.357 6.950 1.00 0.00 H new ATOM 0 HA CYS A 33 2.111 0.827 7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.644 2.121 9.036 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.289 0.660 9.292 1.00 0.00 H new ATOM 0 HG CYS A 33 1.463 0.979 11.483 1.00 0.00 H new ATOM 461 N ASP A 34 -0.260 -1.453 7.352 1.00 0.00 N ATOM 462 CA ASP A 34 -0.510 -2.886 7.258 1.00 0.00 C ATOM 463 C ASP A 34 -1.315 -3.215 6.003 1.00 0.00 C ATOM 464 O ASP A 34 -2.513 -3.495 6.078 1.00 0.00 O ATOM 465 CB ASP A 34 -1.253 -3.378 8.501 1.00 0.00 C ATOM 466 CG ASP A 34 -0.462 -3.154 9.775 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.414 -3.990 10.084 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.718 -2.145 10.463 1.00 0.00 O ATOM 0 H ASP A 34 -1.091 -0.872 7.240 1.00 0.00 H new ATOM 0 HA ASP A 34 0.452 -3.395 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.211 -2.863 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.470 -4.441 8.394 1.00 0.00 H new ATOM 473 N PRO A 35 -0.667 -3.185 4.827 1.00 0.00 N ATOM 474 CA PRO A 35 -1.328 -3.480 3.551 1.00 0.00 C ATOM 475 C PRO A 35 -1.698 -4.953 3.417 1.00 0.00 C ATOM 476 O PRO A 35 -0.829 -5.825 3.435 1.00 0.00 O ATOM 477 CB PRO A 35 -0.279 -3.094 2.508 1.00 0.00 C ATOM 478 CG PRO A 35 1.026 -3.231 3.214 1.00 0.00 C ATOM 479 CD PRO A 35 0.761 -2.861 4.647 1.00 0.00 C ATOM 0 HA PRO A 35 -2.269 -2.940 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.328 -3.747 1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.431 -2.075 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.406 -4.250 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.778 -2.576 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.391 -3.429 5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.960 -1.805 4.833 1.00 0.00 H new ATOM 487 N VAL A 36 -2.992 -5.223 3.279 1.00 0.00 N ATOM 488 CA VAL A 36 -3.477 -6.590 3.138 1.00 0.00 C ATOM 489 C VAL A 36 -3.881 -6.883 1.698 1.00 0.00 C ATOM 490 O VAL A 36 -4.540 -6.069 1.049 1.00 0.00 O ATOM 491 CB VAL A 36 -4.680 -6.857 4.061 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.238 -6.903 5.516 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.755 -5.800 3.857 1.00 0.00 C ATOM 0 H VAL A 36 -3.723 -4.512 3.262 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.656 -7.248 3.424 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.103 -7.828 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.102 -7.093 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.507 -7.700 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.788 -5.949 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.597 -6.005 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.346 -4.816 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.093 -5.820 2.821 1.00 0.00 H new ATOM 503 N VAL A 37 -3.480 -8.049 1.200 1.00 0.00 N ATOM 504 CA VAL A 37 -3.800 -8.447 -0.165 1.00 0.00 C ATOM 505 C VAL A 37 -5.164 -9.126 -0.237 1.00 0.00 C ATOM 506 O VAL A 37 -5.367 -10.195 0.338 1.00 0.00 O ATOM 507 CB VAL A 37 -2.735 -9.403 -0.736 1.00 0.00 C ATOM 508 CG1 VAL A 37 -2.973 -9.645 -2.218 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.338 -8.850 -0.496 1.00 0.00 C ATOM 0 H VAL A 37 -2.933 -8.734 1.722 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.819 -7.535 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.817 -10.359 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.211 -10.322 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.958 -10.089 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.921 -8.698 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.599 -9.538 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.241 -7.881 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.171 -8.734 0.575 1.00 0.00 H new ATOM 519 N LEU A 38 -6.094 -8.498 -0.950 1.00 0.00 N ATOM 520 CA LEU A 38 -7.439 -9.043 -1.099 1.00 0.00 C ATOM 521 C LEU A 38 -7.440 -10.220 -2.075 1.00 0.00 C ATOM 522 O LEU A 38 -7.065 -10.069 -3.237 1.00 0.00 O ATOM 523 CB LEU A 38 -8.398 -7.958 -1.590 1.00 0.00 C ATOM 524 CG LEU A 38 -8.578 -6.773 -0.640 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.157 -5.578 -1.382 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.468 -7.159 0.531 1.00 0.00 C ATOM 0 H LEU A 38 -5.941 -7.613 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.773 -9.399 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.039 -7.584 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.373 -8.411 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.600 -6.493 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.278 -4.744 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.481 -5.287 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.127 -5.845 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.585 -6.304 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.446 -7.466 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.012 -7.984 1.078 1.00 0.00 H new ATOM 538 N PRO A 39 -7.860 -11.414 -1.618 1.00 0.00 N ATOM 539 CA PRO A 39 -7.900 -12.611 -2.465 1.00 0.00 C ATOM 540 C PRO A 39 -9.051 -12.589 -3.469 1.00 0.00 C ATOM 541 O PRO A 39 -9.179 -13.491 -4.297 1.00 0.00 O ATOM 542 CB PRO A 39 -8.093 -13.744 -1.460 1.00 0.00 C ATOM 543 CG PRO A 39 -8.818 -13.115 -0.321 1.00 0.00 C ATOM 544 CD PRO A 39 -8.324 -11.695 -0.245 1.00 0.00 C ATOM 0 HA PRO A 39 -7.001 -12.704 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.668 -14.564 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.137 -14.158 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.896 -13.145 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.619 -13.647 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.116 -11.011 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.517 -11.590 0.480 1.00 0.00 H new ATOM 552 N SER A 40 -9.891 -11.559 -3.391 1.00 0.00 N ATOM 553 CA SER A 40 -11.029 -11.434 -4.295 1.00 0.00 C ATOM 554 C SER A 40 -10.750 -10.412 -5.393 1.00 0.00 C ATOM 555 O SER A 40 -10.666 -10.760 -6.571 1.00 0.00 O ATOM 556 CB SER A 40 -12.282 -11.031 -3.516 1.00 0.00 C ATOM 557 OG SER A 40 -13.455 -11.276 -4.274 1.00 0.00 O ATOM 0 H SER A 40 -9.804 -10.802 -2.713 1.00 0.00 H new ATOM 0 HA SER A 40 -11.194 -12.404 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.327 -11.588 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.228 -9.974 -3.255 1.00 0.00 H new ATOM 0 HG SER A 40 -14.242 -11.011 -3.753 1.00 0.00 H new ATOM 563 N SER A 41 -10.613 -9.150 -5.000 1.00 0.00 N ATOM 564 CA SER A 41 -10.350 -8.075 -5.953 1.00 0.00 C ATOM 565 C SER A 41 -8.869 -8.003 -6.323 1.00 0.00 C ATOM 566 O SER A 41 -8.495 -7.322 -7.278 1.00 0.00 O ATOM 567 CB SER A 41 -10.806 -6.734 -5.375 1.00 0.00 C ATOM 568 OG SER A 41 -10.253 -6.519 -4.089 1.00 0.00 O ATOM 0 H SER A 41 -10.679 -8.845 -4.029 1.00 0.00 H new ATOM 0 HA SER A 41 -10.915 -8.291 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.507 -5.926 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.894 -6.711 -5.315 1.00 0.00 H new ATOM 0 HG SER A 41 -10.861 -6.874 -3.408 1.00 0.00 H new ATOM 574 N ARG A 42 -8.027 -8.703 -5.566 1.00 0.00 N ATOM 575 CA ARG A 42 -6.592 -8.705 -5.824 1.00 0.00 C ATOM 576 C ARG A 42 -6.012 -7.302 -5.675 1.00 0.00 C ATOM 577 O ARG A 42 -5.041 -6.946 -6.344 1.00 0.00 O ATOM 578 CB ARG A 42 -6.304 -9.244 -7.227 1.00 0.00 C ATOM 579 CG ARG A 42 -6.117 -10.752 -7.273 1.00 0.00 C ATOM 580 CD ARG A 42 -7.362 -11.454 -7.793 1.00 0.00 C ATOM 581 NE ARG A 42 -7.670 -12.659 -7.026 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.024 -13.813 -7.166 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.032 -13.924 -8.042 1.00 0.00 N ATOM 584 NH2 ARG A 42 -7.369 -14.860 -6.430 1.00 0.00 N ATOM 0 H ARG A 42 -8.314 -9.274 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.117 -9.355 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.125 -8.968 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.406 -8.763 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.268 -10.995 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.881 -11.121 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.209 -10.770 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.219 -11.718 -8.841 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.426 -12.612 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.762 -13.122 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.540 -14.811 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.130 -14.781 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.873 -15.745 -6.538 1.00 0.00 H new ATOM 598 N VAL A 43 -6.615 -6.510 -4.795 1.00 0.00 N ATOM 599 CA VAL A 43 -6.159 -5.145 -4.557 1.00 0.00 C ATOM 600 C VAL A 43 -5.492 -5.019 -3.192 1.00 0.00 C ATOM 601 O VAL A 43 -5.836 -5.738 -2.253 1.00 0.00 O ATOM 602 CB VAL A 43 -7.324 -4.142 -4.641 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.805 -2.714 -4.587 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.137 -4.374 -5.906 1.00 0.00 C ATOM 0 H VAL A 43 -7.420 -6.789 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.433 -4.913 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.977 -4.299 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.643 -2.020 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.270 -2.556 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.129 -2.541 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.956 -3.656 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.497 -4.246 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.542 -5.386 -5.898 1.00 0.00 H new ATOM 614 N THR A 44 -4.535 -4.103 -3.088 1.00 0.00 N ATOM 615 CA THR A 44 -3.818 -3.884 -1.837 1.00 0.00 C ATOM 616 C THR A 44 -4.443 -2.742 -1.044 1.00 0.00 C ATOM 617 O THR A 44 -4.481 -1.601 -1.504 1.00 0.00 O ATOM 618 CB THR A 44 -2.345 -3.582 -2.114 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.945 -4.133 -3.357 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.413 -4.122 -1.051 1.00 0.00 C ATOM 0 H THR A 44 -4.238 -3.500 -3.855 1.00 0.00 H new ATOM 0 HA THR A 44 -3.889 -4.795 -1.243 1.00 0.00 H new ATOM 0 HB THR A 44 -2.270 -2.495 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.000 -3.928 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.384 -3.873 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.663 -3.678 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.520 -5.205 -0.990 1.00 0.00 H new ATOM 628 N VAL A 45 -4.933 -3.057 0.151 1.00 0.00 N ATOM 629 CA VAL A 45 -5.557 -2.057 1.009 1.00 0.00 C ATOM 630 C VAL A 45 -5.141 -2.246 2.465 1.00 0.00 C ATOM 631 O VAL A 45 -4.790 -3.351 2.880 1.00 0.00 O ATOM 632 CB VAL A 45 -7.093 -2.113 0.915 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.557 -1.737 -0.483 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.602 -3.494 1.299 1.00 0.00 C ATOM 0 H VAL A 45 -4.910 -3.997 0.547 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.215 -1.083 0.658 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.507 -1.390 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.645 -1.782 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.226 -0.725 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.133 -2.434 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.689 -3.514 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.179 -4.238 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.302 -3.721 2.322 1.00 0.00 H new ATOM 644 N ASP A 46 -5.181 -1.163 3.233 1.00 0.00 N ATOM 645 CA ASP A 46 -4.809 -1.211 4.643 1.00 0.00 C ATOM 646 C ASP A 46 -5.676 -2.209 5.403 1.00 0.00 C ATOM 647 O ASP A 46 -6.860 -2.370 5.108 1.00 0.00 O ATOM 648 CB ASP A 46 -4.934 0.181 5.271 1.00 0.00 C ATOM 649 CG ASP A 46 -3.604 0.710 5.775 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.807 -0.094 6.303 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.362 1.928 5.641 1.00 0.00 O ATOM 0 H ASP A 46 -5.467 -0.241 2.904 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.772 -1.540 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.342 0.873 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.643 0.141 6.098 1.00 0.00 H new ATOM 656 N ARG A 47 -5.077 -2.879 6.384 1.00 0.00 N ATOM 657 CA ARG A 47 -5.795 -3.862 7.188 1.00 0.00 C ATOM 658 C ARG A 47 -6.995 -3.227 7.885 1.00 0.00 C ATOM 659 O ARG A 47 -7.991 -3.897 8.160 1.00 0.00 O ATOM 660 CB ARG A 47 -4.859 -4.483 8.225 1.00 0.00 C ATOM 661 CG ARG A 47 -5.295 -5.865 8.687 1.00 0.00 C ATOM 662 CD ARG A 47 -5.861 -5.831 10.099 1.00 0.00 C ATOM 663 NE ARG A 47 -4.923 -6.372 11.079 1.00 0.00 N ATOM 664 CZ ARG A 47 -4.727 -7.673 11.279 1.00 0.00 C ATOM 665 NH1 ARG A 47 -5.404 -8.569 10.570 1.00 0.00 N ATOM 666 NH2 ARG A 47 -3.855 -8.080 12.190 1.00 0.00 N ATOM 0 H ARG A 47 -4.097 -2.759 6.641 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.159 -4.643 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.856 -4.549 7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.798 -3.822 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.047 -6.258 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.445 -6.546 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.110 -4.804 10.365 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.789 -6.403 10.131 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.386 -5.714 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.078 -8.261 9.869 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.250 -9.565 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.334 -7.396 12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.705 -9.077 12.343 1.00 0.00 H new ATOM 680 N SER A 48 -6.893 -1.932 8.168 1.00 0.00 N ATOM 681 CA SER A 48 -7.971 -1.208 8.831 1.00 0.00 C ATOM 682 C SER A 48 -8.962 -0.654 7.812 1.00 0.00 C ATOM 683 O SER A 48 -10.153 -0.526 8.096 1.00 0.00 O ATOM 684 CB SER A 48 -7.403 -0.070 9.679 1.00 0.00 C ATOM 685 OG SER A 48 -6.999 1.019 8.866 1.00 0.00 O ATOM 0 H SER A 48 -6.075 -1.363 7.949 1.00 0.00 H new ATOM 0 HA SER A 48 -8.499 -1.907 9.480 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.154 0.265 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.552 -0.432 10.257 1.00 0.00 H new ATOM 0 HG SER A 48 -6.641 1.735 9.432 1.00 0.00 H new ATOM 691 N THR A 49 -8.462 -0.328 6.624 1.00 0.00 N ATOM 692 CA THR A 49 -9.303 0.212 5.563 1.00 0.00 C ATOM 693 C THR A 49 -10.359 -0.801 5.135 1.00 0.00 C ATOM 694 O THR A 49 -11.486 -0.436 4.803 1.00 0.00 O ATOM 695 CB THR A 49 -8.447 0.614 4.361 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.448 1.541 4.743 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.248 1.238 3.238 1.00 0.00 C ATOM 0 H THR A 49 -7.479 -0.429 6.373 1.00 0.00 H new ATOM 0 HA THR A 49 -9.811 1.095 5.950 1.00 0.00 H new ATOM 0 HB THR A 49 -8.005 -0.314 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.127 2.021 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.581 1.500 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.995 0.527 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.746 2.137 3.602 1.00 0.00 H new ATOM 705 N ILE A 50 -9.985 -2.076 5.147 1.00 0.00 N ATOM 706 CA ILE A 50 -10.900 -3.144 4.762 1.00 0.00 C ATOM 707 C ILE A 50 -11.884 -3.455 5.886 1.00 0.00 C ATOM 708 O ILE A 50 -13.044 -3.782 5.636 1.00 0.00 O ATOM 709 CB ILE A 50 -10.137 -4.430 4.383 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.108 -5.499 3.878 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.342 -4.948 5.573 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.754 -5.151 2.554 1.00 0.00 C ATOM 0 H ILE A 50 -9.055 -2.395 5.419 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.451 -2.792 3.890 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.438 -4.194 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.574 -6.444 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.887 -5.652 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.810 -5.856 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.624 -4.191 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.022 -5.169 6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.430 -5.953 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.316 -4.222 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.982 -5.027 1.794 1.00 0.00 H new ATOM 724 N ALA A 51 -11.414 -3.349 7.125 1.00 0.00 N ATOM 725 CA ALA A 51 -12.252 -3.618 8.287 1.00 0.00 C ATOM 726 C ALA A 51 -13.487 -2.724 8.291 1.00 0.00 C ATOM 727 O ALA A 51 -14.586 -3.169 8.622 1.00 0.00 O ATOM 728 CB ALA A 51 -11.454 -3.425 9.568 1.00 0.00 C ATOM 0 H ALA A 51 -10.457 -3.078 7.350 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.586 -4.654 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.092 -3.629 10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.606 -4.109 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.092 -2.398 9.620 1.00 0.00 H new ATOM 734 N ARG A 52 -13.299 -1.462 7.920 1.00 0.00 N ATOM 735 CA ARG A 52 -14.398 -0.506 7.879 1.00 0.00 C ATOM 736 C ARG A 52 -15.450 -0.934 6.861 1.00 0.00 C ATOM 737 O ARG A 52 -16.640 -0.668 7.032 1.00 0.00 O ATOM 738 CB ARG A 52 -13.875 0.890 7.533 1.00 0.00 C ATOM 739 CG ARG A 52 -14.959 1.954 7.498 1.00 0.00 C ATOM 740 CD ARG A 52 -14.687 2.991 6.419 1.00 0.00 C ATOM 741 NE ARG A 52 -15.455 4.215 6.630 1.00 0.00 N ATOM 742 CZ ARG A 52 -15.654 5.136 5.689 1.00 0.00 C ATOM 743 NH1 ARG A 52 -15.144 4.974 4.474 1.00 0.00 N ATOM 744 NH2 ARG A 52 -16.365 6.221 5.963 1.00 0.00 N ATOM 0 H ARG A 52 -12.395 -1.078 7.643 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.861 -0.478 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.119 1.177 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.382 0.854 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.926 1.484 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.020 2.445 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.623 3.229 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.933 2.572 5.443 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.863 4.374 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.597 4.141 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.300 5.683 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.760 6.350 6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.517 6.926 5.242 1.00 0.00 H new ATOM 758 N HIS A 53 -15.004 -1.601 5.801 1.00 0.00 N ATOM 759 CA HIS A 53 -15.906 -2.068 4.755 1.00 0.00 C ATOM 760 C HIS A 53 -16.549 -3.398 5.140 1.00 0.00 C ATOM 761 O HIS A 53 -17.611 -3.753 4.628 1.00 0.00 O ATOM 762 CB HIS A 53 -15.151 -2.218 3.433 1.00 0.00 C ATOM 763 CG HIS A 53 -16.050 -2.336 2.242 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.930 -1.356 1.843 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.195 -3.353 1.354 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.569 -1.795 0.751 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.159 -3.003 0.412 1.00 0.00 N ATOM 0 H HIS A 53 -14.023 -1.830 5.644 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.696 -1.326 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.495 -1.358 3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.513 -3.101 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.650 -4.285 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.322 -1.234 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -17.481 -3.564 -0.377 1.00 0.00 H new ATOM 775 N LEU A 54 -15.902 -4.130 6.041 1.00 0.00 N ATOM 776 CA LEU A 54 -16.414 -5.419 6.490 1.00 0.00 C ATOM 777 C LEU A 54 -17.195 -5.277 7.793 1.00 0.00 C ATOM 778 O LEU A 54 -17.220 -6.194 8.614 1.00 0.00 O ATOM 779 CB LEU A 54 -15.263 -6.410 6.678 1.00 0.00 C ATOM 780 CG LEU A 54 -14.418 -6.668 5.430 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.277 -7.622 5.745 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.283 -7.221 4.307 1.00 0.00 C ATOM 0 H LEU A 54 -15.022 -3.852 6.475 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.091 -5.797 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.611 -6.040 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.674 -7.359 7.022 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.991 -5.721 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.687 -7.793 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.642 -7.188 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.682 -8.570 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.666 -7.399 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.738 -8.158 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.065 -6.502 4.063 1.00 0.00 H new ATOM 794 N LEU A 55 -17.833 -4.126 7.976 1.00 0.00 N ATOM 795 CA LEU A 55 -18.615 -3.870 9.180 1.00 0.00 C ATOM 796 C LEU A 55 -20.070 -4.279 8.978 1.00 0.00 C ATOM 797 O LEU A 55 -20.619 -5.062 9.753 1.00 0.00 O ATOM 798 CB LEU A 55 -18.539 -2.390 9.562 1.00 0.00 C ATOM 799 CG LEU A 55 -17.125 -1.848 9.782 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.160 -0.342 9.997 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.464 -2.542 10.964 1.00 0.00 C ATOM 0 H LEU A 55 -17.824 -3.356 7.307 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.194 -4.467 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.018 -1.803 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.116 -2.236 10.474 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.534 -2.055 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.146 0.027 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.592 0.141 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.767 -0.114 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.459 -2.143 11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.053 -2.367 11.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.405 -3.613 10.771 1.00 0.00 H new ATOM 813 N SER A 56 -20.690 -3.744 7.931 1.00 0.00 N ATOM 814 CA SER A 56 -22.082 -4.055 7.626 1.00 0.00 C ATOM 815 C SER A 56 -22.176 -5.060 6.482 1.00 0.00 C ATOM 816 O SER A 56 -23.039 -5.937 6.484 1.00 0.00 O ATOM 817 CB SER A 56 -22.843 -2.779 7.263 1.00 0.00 C ATOM 818 OG SER A 56 -23.010 -1.944 8.396 1.00 0.00 O ATOM 0 H SER A 56 -20.251 -3.093 7.280 1.00 0.00 H new ATOM 0 HA SER A 56 -22.533 -4.499 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.303 -2.239 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.819 -3.038 6.852 1.00 0.00 H new ATOM 0 HG SER A 56 -23.498 -1.135 8.137 1.00 0.00 H new ATOM 824 N ASP A 57 -21.283 -4.923 5.507 1.00 0.00 N ATOM 825 CA ASP A 57 -21.265 -5.819 4.356 1.00 0.00 C ATOM 826 C ASP A 57 -19.915 -6.519 4.233 1.00 0.00 C ATOM 827 O ASP A 57 -18.979 -5.983 3.642 1.00 0.00 O ATOM 828 CB ASP A 57 -21.568 -5.042 3.073 1.00 0.00 C ATOM 829 CG ASP A 57 -22.971 -4.466 3.063 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.508 -4.194 4.157 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.530 -4.288 1.961 1.00 0.00 O ATOM 0 H ASP A 57 -20.563 -4.201 5.491 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.035 -6.576 4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.846 -4.233 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.443 -5.701 2.214 1.00 0.00 H new ATOM 836 N GLN A 58 -19.824 -7.719 4.797 1.00 0.00 N ATOM 837 CA GLN A 58 -18.588 -8.493 4.752 1.00 0.00 C ATOM 838 C GLN A 58 -18.264 -8.918 3.323 1.00 0.00 C ATOM 839 O GLN A 58 -18.479 -10.069 2.944 1.00 0.00 O ATOM 840 CB GLN A 58 -18.700 -9.724 5.652 1.00 0.00 C ATOM 841 CG GLN A 58 -18.745 -9.391 7.135 1.00 0.00 C ATOM 842 CD GLN A 58 -20.138 -9.518 7.720 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.760 -10.578 7.645 1.00 0.00 O ATOM 844 NE2 GLN A 58 -20.635 -8.436 8.306 1.00 0.00 N ATOM 0 H GLN A 58 -20.591 -8.177 5.290 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.778 -7.860 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.600 -10.278 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.852 -10.382 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -18.067 -10.054 7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -18.383 -8.374 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -20.084 -7.579 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -21.568 -8.462 8.717 1.00 0.00 H new ATOM 853 N THR A 59 -17.745 -7.982 2.537 1.00 0.00 N ATOM 854 CA THR A 59 -17.389 -8.259 1.149 1.00 0.00 C ATOM 855 C THR A 59 -16.293 -7.312 0.671 1.00 0.00 C ATOM 856 O THR A 59 -15.759 -6.522 1.449 1.00 0.00 O ATOM 857 CB THR A 59 -18.619 -8.128 0.249 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.096 -6.794 0.242 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.765 -9.022 0.668 1.00 0.00 C ATOM 0 H THR A 59 -17.561 -7.024 2.836 1.00 0.00 H new ATOM 0 HA THR A 59 -17.013 -9.281 1.093 1.00 0.00 H new ATOM 0 HB THR A 59 -18.285 -8.433 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.882 -6.731 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.605 -8.880 -0.012 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.445 -10.063 0.636 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.072 -8.768 1.682 1.00 0.00 H new ATOM 867 N ASP A 60 -15.962 -7.398 -0.614 1.00 0.00 N ATOM 868 CA ASP A 60 -14.929 -6.548 -1.194 1.00 0.00 C ATOM 869 C ASP A 60 -15.530 -5.249 -1.727 1.00 0.00 C ATOM 870 O ASP A 60 -16.645 -5.241 -2.248 1.00 0.00 O ATOM 871 CB ASP A 60 -14.202 -7.288 -2.318 1.00 0.00 C ATOM 872 CG ASP A 60 -12.957 -8.001 -1.829 1.00 0.00 C ATOM 873 OD1 ASP A 60 -13.084 -9.132 -1.315 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.854 -7.428 -1.959 1.00 0.00 O ATOM 0 H ASP A 60 -16.394 -8.047 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.213 -6.301 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.879 -8.013 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.928 -6.579 -3.099 1.00 0.00 H new ATOM 879 N PRO A 61 -14.797 -4.128 -1.607 1.00 0.00 N ATOM 880 CA PRO A 61 -15.269 -2.824 -2.081 1.00 0.00 C ATOM 881 C PRO A 61 -15.254 -2.717 -3.603 1.00 0.00 C ATOM 882 O PRO A 61 -15.925 -1.861 -4.179 1.00 0.00 O ATOM 883 CB PRO A 61 -14.269 -1.843 -1.465 1.00 0.00 C ATOM 884 CG PRO A 61 -13.020 -2.635 -1.297 1.00 0.00 C ATOM 885 CD PRO A 61 -13.455 -4.044 -0.998 1.00 0.00 C ATOM 0 HA PRO A 61 -16.304 -2.636 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.108 -0.982 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.627 -1.460 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.411 -2.599 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.411 -2.235 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.772 -4.775 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.489 -4.234 0.075 1.00 0.00 H new ATOM 893 N PHE A 62 -14.486 -3.588 -4.251 1.00 0.00 N ATOM 894 CA PHE A 62 -14.388 -3.585 -5.707 1.00 0.00 C ATOM 895 C PHE A 62 -15.102 -4.793 -6.306 1.00 0.00 C ATOM 896 O PHE A 62 -15.965 -4.649 -7.172 1.00 0.00 O ATOM 897 CB PHE A 62 -12.921 -3.580 -6.141 1.00 0.00 C ATOM 898 CG PHE A 62 -12.071 -2.601 -5.381 1.00 0.00 C ATOM 899 CD1 PHE A 62 -12.102 -1.250 -5.692 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.242 -3.030 -4.358 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.321 -0.348 -4.995 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.459 -2.132 -3.657 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.499 -0.789 -3.977 1.00 0.00 C ATOM 0 H PHE A 62 -13.923 -4.304 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.873 -2.681 -6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.510 -4.581 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.866 -3.347 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.743 -0.899 -6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.207 -4.079 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.354 0.702 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.817 -2.480 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.888 -0.085 -3.432 1.00 0.00 H new ATOM 913 N ASN A 63 -14.734 -5.983 -5.841 1.00 0.00 N ATOM 914 CA ASN A 63 -15.336 -7.216 -6.336 1.00 0.00 C ATOM 915 C ASN A 63 -16.762 -7.379 -5.815 1.00 0.00 C ATOM 916 O ASN A 63 -17.624 -7.928 -6.502 1.00 0.00 O ATOM 917 CB ASN A 63 -14.491 -8.422 -5.923 1.00 0.00 C ATOM 918 CG ASN A 63 -14.470 -9.503 -6.986 1.00 0.00 C ATOM 919 OD1 ASN A 63 -13.273 -9.927 -7.376 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 -15.517 -9.954 -7.450 1.00 0.00 N flip ATOM 0 H ASN A 63 -14.023 -6.119 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.372 -7.159 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.471 -8.095 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.883 -8.837 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.415 -9.599 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.487 -10.683 -8.163 1.00 0.00 H new ATOM 927 N ARG A 64 -17.003 -6.902 -4.599 1.00 0.00 N ATOM 928 CA ARG A 64 -18.325 -6.998 -3.989 1.00 0.00 C ATOM 929 C ARG A 64 -18.726 -8.457 -3.790 1.00 0.00 C ATOM 930 O ARG A 64 -19.895 -8.815 -3.933 1.00 0.00 O ATOM 931 CB ARG A 64 -19.365 -6.284 -4.854 1.00 0.00 C ATOM 932 CG ARG A 64 -20.581 -5.809 -4.076 1.00 0.00 C ATOM 933 CD ARG A 64 -21.077 -4.463 -4.580 1.00 0.00 C ATOM 934 NE ARG A 64 -22.406 -4.142 -4.064 1.00 0.00 N ATOM 935 CZ ARG A 64 -23.081 -3.042 -4.390 1.00 0.00 C ATOM 936 NH1 ARG A 64 -22.558 -2.158 -5.230 1.00 0.00 N ATOM 937 NH2 ARG A 64 -24.284 -2.827 -3.874 1.00 0.00 N ATOM 0 H ARG A 64 -16.301 -6.445 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.283 -6.514 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.896 -5.427 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.691 -6.958 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.379 -6.547 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.330 -5.732 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.375 -3.684 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.103 -4.471 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.842 -4.799 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.634 -2.319 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.080 -1.317 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.690 -3.504 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.803 -1.985 -4.123 1.00 0.00 H new ATOM 951 N SER A 65 -17.747 -9.293 -3.461 1.00 0.00 N ATOM 952 CA SER A 65 -17.995 -10.714 -3.242 1.00 0.00 C ATOM 953 C SER A 65 -17.661 -11.109 -1.805 1.00 0.00 C ATOM 954 O SER A 65 -17.164 -10.293 -1.028 1.00 0.00 O ATOM 955 CB SER A 65 -17.172 -11.552 -4.223 1.00 0.00 C ATOM 956 OG SER A 65 -17.982 -12.513 -4.879 1.00 0.00 O ATOM 0 H SER A 65 -16.774 -9.011 -3.340 1.00 0.00 H new ATOM 0 HA SER A 65 -19.054 -10.906 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.706 -10.900 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.366 -12.055 -3.689 1.00 0.00 H new ATOM 0 HG SER A 65 -17.433 -13.034 -5.501 1.00 0.00 H new ATOM 962 N PRO A 66 -17.929 -12.372 -1.432 1.00 0.00 N ATOM 963 CA PRO A 66 -17.653 -12.872 -0.081 1.00 0.00 C ATOM 964 C PRO A 66 -16.215 -12.608 0.351 1.00 0.00 C ATOM 965 O PRO A 66 -15.271 -13.110 -0.260 1.00 0.00 O ATOM 966 CB PRO A 66 -17.910 -14.375 -0.197 1.00 0.00 C ATOM 967 CG PRO A 66 -18.865 -14.512 -1.332 1.00 0.00 C ATOM 968 CD PRO A 66 -18.522 -13.410 -2.296 1.00 0.00 C ATOM 0 HA PRO A 66 -18.271 -12.379 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.986 -14.920 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.331 -14.777 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.770 -15.489 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.895 -14.423 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.820 -13.747 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.406 -13.042 -2.817 1.00 0.00 H new ATOM 976 N LEU A 67 -16.055 -11.818 1.408 1.00 0.00 N ATOM 977 CA LEU A 67 -14.731 -11.487 1.922 1.00 0.00 C ATOM 978 C LEU A 67 -14.788 -11.181 3.416 1.00 0.00 C ATOM 979 O LEU A 67 -15.769 -10.623 3.908 1.00 0.00 O ATOM 980 CB LEU A 67 -14.151 -10.290 1.166 1.00 0.00 C ATOM 981 CG LEU A 67 -12.739 -9.880 1.585 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.701 -10.638 0.772 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.550 -8.379 1.425 1.00 0.00 C ATOM 0 H LEU A 67 -16.826 -11.395 1.925 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.084 -12.351 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.144 -10.521 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.816 -9.437 1.303 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.605 -10.133 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.702 -10.334 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.822 -11.709 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.835 -10.415 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.539 -8.105 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.704 -8.102 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.271 -7.853 2.050 1.00 0.00 H new ATOM 995 N THR A 68 -13.731 -11.550 4.132 1.00 0.00 N ATOM 996 CA THR A 68 -13.663 -11.315 5.570 1.00 0.00 C ATOM 997 C THR A 68 -12.226 -11.047 6.010 1.00 0.00 C ATOM 998 O THR A 68 -11.307 -11.042 5.193 1.00 0.00 O ATOM 999 CB THR A 68 -14.225 -12.515 6.333 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.845 -13.729 5.708 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.735 -12.506 6.436 1.00 0.00 C ATOM 0 H THR A 68 -12.910 -12.013 3.741 1.00 0.00 H new ATOM 0 HA THR A 68 -14.265 -10.435 5.797 1.00 0.00 H new ATOM 0 HB THR A 68 -13.808 -12.439 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.212 -14.485 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.067 -13.385 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.059 -11.605 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.168 -12.522 5.436 1.00 0.00 H new ATOM 1009 N MET A 69 -12.043 -10.826 7.308 1.00 0.00 N ATOM 1010 CA MET A 69 -10.717 -10.559 7.857 1.00 0.00 C ATOM 1011 C MET A 69 -9.834 -11.800 7.776 1.00 0.00 C ATOM 1012 O MET A 69 -8.614 -11.699 7.647 1.00 0.00 O ATOM 1013 CB MET A 69 -10.829 -10.093 9.310 1.00 0.00 C ATOM 1014 CG MET A 69 -9.807 -9.030 9.688 1.00 0.00 C ATOM 1015 SD MET A 69 -10.567 -7.456 10.131 1.00 0.00 S ATOM 1016 CE MET A 69 -10.045 -6.429 8.760 1.00 0.00 C ATOM 0 H MET A 69 -12.794 -10.826 7.998 1.00 0.00 H new ATOM 0 HA MET A 69 -10.257 -9.769 7.263 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.831 -9.699 9.481 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.708 -10.953 9.969 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.210 -9.389 10.526 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.124 -8.876 8.853 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.354 -5.666 9.119 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.547 -7.046 8.012 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.915 -5.949 8.313 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.459 -12.971 7.853 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.730 -14.231 7.789 1.00 0.00 C ATOM 1028 C ASP A 70 -9.234 -14.504 6.371 1.00 0.00 C ATOM 1029 O ASP A 70 -8.191 -15.128 6.178 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.619 -15.384 8.260 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.698 -15.473 9.772 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -9.732 -15.968 10.388 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -11.725 -15.046 10.339 1.00 0.00 O ATOM 0 H ASP A 70 -11.468 -13.072 7.960 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.866 -14.154 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.622 -15.255 7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.232 -16.323 7.863 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.989 -14.032 5.385 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.626 -14.226 3.985 1.00 0.00 C ATOM 1040 C GLN A 71 -8.428 -13.361 3.609 1.00 0.00 C ATOM 1041 O GLN A 71 -7.420 -13.863 3.111 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.813 -13.898 3.078 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.987 -14.850 3.244 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.551 -15.319 1.917 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.750 -14.385 0.995 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -12.804 -16.508 1.723 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.855 -13.513 5.528 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.352 -15.272 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.148 -12.882 3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.483 -13.919 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.669 -15.715 3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.773 -14.355 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.635 -17.192 2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.182 -16.809 0.825 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.545 -12.059 3.850 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.471 -11.124 3.535 1.00 0.00 C ATOM 1057 C ILE A 72 -6.187 -11.491 4.273 1.00 0.00 C ATOM 1058 O ILE A 72 -6.216 -11.846 5.452 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.861 -9.679 3.899 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.319 -9.600 5.357 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.952 -9.175 2.966 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.256 -9.071 6.296 1.00 0.00 C ATOM 0 H ILE A 72 -9.372 -11.628 4.262 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.301 -11.189 2.460 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.985 -9.042 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.199 -8.959 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.624 -10.593 5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.217 -8.153 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.591 -9.197 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.831 -9.814 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.650 -9.042 7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.384 -9.724 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.968 -8.065 5.990 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.062 -11.405 3.571 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.767 -11.729 4.160 1.00 0.00 C ATOM 1076 C ARG A 73 -2.844 -10.514 4.149 1.00 0.00 C ATOM 1077 O ARG A 73 -2.971 -9.634 3.298 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.113 -12.886 3.399 1.00 0.00 C ATOM 1079 CG ARG A 73 -4.064 -14.032 3.101 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.369 -15.151 2.342 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.300 -15.915 1.517 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.952 -16.979 0.798 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.696 -17.409 0.800 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.862 -17.618 0.074 1.00 0.00 N ATOM 0 H ARG A 73 -5.020 -11.114 2.594 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.932 -12.029 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.706 -12.509 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.273 -13.264 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.469 -14.422 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.907 -13.664 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.587 -14.729 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.880 -15.820 3.050 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.275 -15.615 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.991 -16.923 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.436 -18.225 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.829 -17.294 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.595 -18.434 -0.477 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.897 -10.449 5.103 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.949 -9.333 5.199 1.00 0.00 C ATOM 1100 C PRO A 74 0.084 -9.353 4.078 1.00 0.00 C ATOM 1101 O PRO A 74 0.784 -10.346 3.883 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.275 -9.559 6.552 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.378 -11.027 6.785 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.676 -11.456 6.158 1.00 0.00 C ATOM 0 HA PRO A 74 -1.445 -8.366 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.765 -9.233 6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.773 -8.997 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.465 -11.553 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.365 -11.255 7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.609 -12.462 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.489 -11.463 6.883 1.00 0.00 H new ATOM 1112 N ASN A 75 0.175 -8.248 3.344 1.00 0.00 N ATOM 1113 CA ASN A 75 1.124 -8.138 2.243 1.00 0.00 C ATOM 1114 C ASN A 75 2.546 -7.963 2.766 1.00 0.00 C ATOM 1115 O ASN A 75 3.018 -6.840 2.946 1.00 0.00 O ATOM 1116 CB ASN A 75 0.752 -6.962 1.338 1.00 0.00 C ATOM 1117 CG ASN A 75 1.267 -7.137 -0.077 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.745 -8.210 -0.448 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.171 -6.082 -0.877 1.00 0.00 N ATOM 0 H ASN A 75 -0.397 -7.417 3.492 1.00 0.00 H new ATOM 0 HA ASN A 75 1.080 -9.061 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.332 -6.852 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.157 -6.041 1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.500 -6.141 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.768 -5.212 -0.528 1.00 0.00 H new ATOM 1126 N THR A 76 3.223 -9.080 3.009 1.00 0.00 N ATOM 1127 CA THR A 76 4.592 -9.051 3.513 1.00 0.00 C ATOM 1128 C THR A 76 5.546 -8.484 2.466 1.00 0.00 C ATOM 1129 O THR A 76 6.493 -7.770 2.797 1.00 0.00 O ATOM 1130 CB THR A 76 5.039 -10.456 3.919 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.927 -11.243 4.307 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.028 -10.463 5.064 1.00 0.00 C ATOM 0 H THR A 76 2.846 -10.017 2.865 1.00 0.00 H new ATOM 0 HA THR A 76 4.616 -8.403 4.389 1.00 0.00 H new ATOM 0 HB THR A 76 5.528 -10.869 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.233 -12.139 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.303 -11.491 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.920 -9.905 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.575 -9.998 5.939 1.00 0.00 H new ATOM 1140 N GLU A 77 5.291 -8.807 1.202 1.00 0.00 N ATOM 1141 CA GLU A 77 6.128 -8.330 0.107 1.00 0.00 C ATOM 1142 C GLU A 77 6.148 -6.806 0.062 1.00 0.00 C ATOM 1143 O GLU A 77 7.141 -6.199 -0.343 1.00 0.00 O ATOM 1144 CB GLU A 77 5.624 -8.886 -1.226 1.00 0.00 C ATOM 1145 CG GLU A 77 6.261 -10.211 -1.613 1.00 0.00 C ATOM 1146 CD GLU A 77 7.556 -10.032 -2.381 1.00 0.00 C ATOM 1147 OE1 GLU A 77 7.677 -9.029 -3.117 1.00 0.00 O ATOM 1148 OE2 GLU A 77 8.450 -10.894 -2.247 1.00 0.00 O ATOM 0 H GLU A 77 4.512 -9.397 0.911 1.00 0.00 H new ATOM 0 HA GLU A 77 7.145 -8.683 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.543 -9.015 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.819 -8.156 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.454 -10.794 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.559 -10.784 -2.219 1.00 0.00 H new ATOM 1155 N LEU A 78 5.044 -6.192 0.477 1.00 0.00 N ATOM 1156 CA LEU A 78 4.935 -4.737 0.483 1.00 0.00 C ATOM 1157 C LEU A 78 5.417 -4.159 1.809 1.00 0.00 C ATOM 1158 O LEU A 78 6.145 -3.167 1.836 1.00 0.00 O ATOM 1159 CB LEU A 78 3.487 -4.315 0.226 1.00 0.00 C ATOM 1160 CG LEU A 78 3.269 -2.808 0.077 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.175 -2.242 -1.005 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.810 -2.510 -0.235 1.00 0.00 C ATOM 0 H LEU A 78 4.213 -6.679 0.813 1.00 0.00 H new ATOM 0 HA LEU A 78 5.569 -4.346 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.136 -4.809 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.868 -4.677 1.047 1.00 0.00 H new ATOM 0 HG LEU A 78 3.523 -2.327 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.006 -1.169 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.216 -2.424 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.953 -2.727 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.672 -1.434 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.529 -3.002 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.182 -2.880 0.575 1.00 0.00 H new ATOM 1174 N LYS A 79 5.006 -4.786 2.908 1.00 0.00 N ATOM 1175 CA LYS A 79 5.394 -4.334 4.240 1.00 0.00 C ATOM 1176 C LYS A 79 6.910 -4.208 4.359 1.00 0.00 C ATOM 1177 O LYS A 79 7.419 -3.266 4.967 1.00 0.00 O ATOM 1178 CB LYS A 79 4.868 -5.301 5.303 1.00 0.00 C ATOM 1179 CG LYS A 79 4.944 -4.750 6.718 1.00 0.00 C ATOM 1180 CD LYS A 79 5.355 -5.823 7.713 1.00 0.00 C ATOM 1181 CE LYS A 79 6.864 -6.004 7.746 1.00 0.00 C ATOM 1182 NZ LYS A 79 7.249 -7.437 7.879 1.00 0.00 N ATOM 0 H LYS A 79 4.404 -5.609 2.902 1.00 0.00 H new ATOM 0 HA LYS A 79 4.954 -3.350 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.832 -5.551 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.438 -6.229 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.659 -3.928 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.975 -4.341 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.998 -5.555 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.880 -6.768 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.299 -5.594 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.279 -5.438 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.286 -7.518 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.856 -7.822 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.875 -7.974 7.071 1.00 0.00 H new ATOM 1196 N GLU A 80 7.626 -5.164 3.776 1.00 0.00 N ATOM 1197 CA GLU A 80 9.084 -5.159 3.817 1.00 0.00 C ATOM 1198 C GLU A 80 9.647 -3.970 3.044 1.00 0.00 C ATOM 1199 O GLU A 80 10.714 -3.452 3.376 1.00 0.00 O ATOM 1200 CB GLU A 80 9.634 -6.464 3.237 1.00 0.00 C ATOM 1201 CG GLU A 80 9.397 -7.673 4.128 1.00 0.00 C ATOM 1202 CD GLU A 80 10.332 -8.823 3.809 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.524 -8.563 3.543 1.00 0.00 O ATOM 1204 OE2 GLU A 80 9.872 -9.984 3.827 1.00 0.00 O ATOM 0 H GLU A 80 7.221 -5.951 3.270 1.00 0.00 H new ATOM 0 HA GLU A 80 9.393 -5.071 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.173 -6.643 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.705 -6.353 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.526 -7.383 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.365 -8.006 4.016 1.00 0.00 H new ATOM 1211 N LYS A 81 8.925 -3.544 2.014 1.00 0.00 N ATOM 1212 CA LYS A 81 9.354 -2.417 1.194 1.00 0.00 C ATOM 1213 C LYS A 81 9.151 -1.096 1.929 1.00 0.00 C ATOM 1214 O LYS A 81 9.941 -0.163 1.780 1.00 0.00 O ATOM 1215 CB LYS A 81 8.584 -2.401 -0.127 1.00 0.00 C ATOM 1216 CG LYS A 81 9.009 -3.495 -1.092 1.00 0.00 C ATOM 1217 CD LYS A 81 7.973 -3.707 -2.184 1.00 0.00 C ATOM 1218 CE LYS A 81 8.278 -2.864 -3.412 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.574 -3.244 -4.038 1.00 0.00 N ATOM 0 H LYS A 81 8.040 -3.962 1.727 1.00 0.00 H new ATOM 0 HA LYS A 81 10.418 -2.536 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.519 -2.505 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.721 -1.432 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.966 -3.232 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.159 -4.426 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.946 -4.761 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.984 -3.453 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.475 -2.980 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.305 -1.811 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.531 -3.065 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.340 -2.679 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.758 -4.254 -3.871 1.00 0.00 H new ATOM 1233 N ILE A 82 8.088 -1.022 2.723 1.00 0.00 N ATOM 1234 CA ILE A 82 7.782 0.186 3.479 1.00 0.00 C ATOM 1235 C ILE A 82 8.832 0.437 4.558 1.00 0.00 C ATOM 1236 O ILE A 82 9.141 1.583 4.882 1.00 0.00 O ATOM 1237 CB ILE A 82 6.390 0.103 4.137 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.330 -0.256 3.094 1.00 0.00 C ATOM 1239 CG2 ILE A 82 6.043 1.418 4.820 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.993 -0.630 3.694 1.00 0.00 C ATOM 0 H ILE A 82 7.424 -1.784 2.859 1.00 0.00 H new ATOM 0 HA ILE A 82 7.788 1.014 2.770 1.00 0.00 H new ATOM 0 HB ILE A 82 6.411 -0.681 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.193 0.591 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.693 -1.088 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.057 1.341 5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.785 1.636 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.038 2.221 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.291 -0.872 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.116 -1.496 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.607 0.208 4.274 1.00 0.00 H new ATOM 1252 N GLN A 83 9.376 -0.642 5.109 1.00 0.00 N ATOM 1253 CA GLN A 83 10.392 -0.538 6.150 1.00 0.00 C ATOM 1254 C GLN A 83 11.710 -0.024 5.578 1.00 0.00 C ATOM 1255 O GLN A 83 12.487 0.629 6.274 1.00 0.00 O ATOM 1256 CB GLN A 83 10.610 -1.897 6.819 1.00 0.00 C ATOM 1257 CG GLN A 83 9.317 -2.626 7.150 1.00 0.00 C ATOM 1258 CD GLN A 83 9.201 -2.973 8.621 1.00 0.00 C ATOM 1259 OE1 GLN A 83 10.199 -3.255 9.285 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.978 -2.955 9.139 1.00 0.00 N ATOM 0 H GLN A 83 9.131 -1.598 4.853 1.00 0.00 H new ATOM 0 HA GLN A 83 10.038 0.174 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.213 -2.524 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.182 -1.754 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.470 -2.005 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.259 -3.540 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.179 -2.716 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.838 -3.181 10.124 1.00 0.00 H new ATOM 1269 N ARG A 84 11.955 -0.325 4.306 1.00 0.00 N ATOM 1270 CA ARG A 84 13.181 0.106 3.642 1.00 0.00 C ATOM 1271 C ARG A 84 13.111 1.586 3.274 1.00 0.00 C ATOM 1272 O ARG A 84 14.101 2.308 3.377 1.00 0.00 O ATOM 1273 CB ARG A 84 13.427 -0.737 2.388 1.00 0.00 C ATOM 1274 CG ARG A 84 14.579 -1.718 2.533 1.00 0.00 C ATOM 1275 CD ARG A 84 14.079 -3.125 2.820 1.00 0.00 C ATOM 1276 NE ARG A 84 13.759 -3.316 4.233 1.00 0.00 N ATOM 1277 CZ ARG A 84 13.647 -4.508 4.814 1.00 0.00 C ATOM 1278 NH1 ARG A 84 13.828 -5.618 4.108 1.00 0.00 N ATOM 1279 NH2 ARG A 84 13.354 -4.591 6.105 1.00 0.00 N ATOM 0 H ARG A 84 11.322 -0.865 3.715 1.00 0.00 H new ATOM 0 HA ARG A 84 14.011 -0.035 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.518 -1.289 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.629 -0.073 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.173 -1.721 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.236 -1.393 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.193 -3.324 2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.838 -3.847 2.519 1.00 0.00 H new ATOM 0 HE ARG A 84 13.613 -2.486 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.054 -5.560 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.741 -6.529 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.215 -3.741 6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.268 -5.504 6.551 1.00 0.00 H new ATOM 1293 N TRP A 85 11.935 2.028 2.841 1.00 0.00 N ATOM 1294 CA TRP A 85 11.738 3.421 2.455 1.00 0.00 C ATOM 1295 C TRP A 85 11.616 4.318 3.683 1.00 0.00 C ATOM 1296 O TRP A 85 12.268 5.357 3.771 1.00 0.00 O ATOM 1297 CB TRP A 85 10.489 3.559 1.582 1.00 0.00 C ATOM 1298 CG TRP A 85 10.250 4.959 1.105 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.015 5.666 0.222 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.174 5.823 1.487 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.480 6.917 0.032 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.350 7.038 0.797 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.078 5.688 2.345 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.470 8.109 0.940 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.207 6.751 2.485 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.407 7.948 1.785 1.00 0.00 C ATOM 0 H TRP A 85 11.105 1.443 2.749 1.00 0.00 H new ATOM 0 HA TRP A 85 12.610 3.738 1.883 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.583 2.900 0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.620 3.222 2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.910 5.296 -0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.862 7.639 -0.579 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.915 4.769 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.622 9.033 0.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.357 6.658 3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.707 8.760 1.915 1.00 0.00 H new ATOM 1317 N LEU A 86 10.776 3.910 4.628 1.00 0.00 N ATOM 1318 CA LEU A 86 10.568 4.679 5.851 1.00 0.00 C ATOM 1319 C LEU A 86 11.877 4.863 6.613 1.00 0.00 C ATOM 1320 O LEU A 86 12.049 5.840 7.343 1.00 0.00 O ATOM 1321 CB LEU A 86 9.537 3.987 6.745 1.00 0.00 C ATOM 1322 CG LEU A 86 8.082 4.378 6.478 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.135 3.390 7.141 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.812 5.791 6.971 1.00 0.00 C ATOM 0 H LEU A 86 10.228 3.052 4.571 1.00 0.00 H new ATOM 0 HA LEU A 86 10.194 5.663 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.636 2.909 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.772 4.211 7.786 1.00 0.00 H new ATOM 0 HG LEU A 86 7.909 4.350 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.104 3.683 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.312 2.392 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.309 3.386 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.773 6.053 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.002 5.845 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.467 6.489 6.451 1.00 0.00 H new ATOM 1336 N ALA A 87 12.797 3.919 6.443 1.00 0.00 N ATOM 1337 CA ALA A 87 14.087 3.978 7.118 1.00 0.00 C ATOM 1338 C ALA A 87 15.119 4.724 6.277 1.00 0.00 C ATOM 1339 O ALA A 87 16.050 5.327 6.812 1.00 0.00 O ATOM 1340 CB ALA A 87 14.579 2.575 7.436 1.00 0.00 C ATOM 0 H ALA A 87 12.672 3.104 5.843 1.00 0.00 H new ATOM 0 HA ALA A 87 13.954 4.527 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.544 2.633 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.860 2.076 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.687 2.009 6.511 1.00 0.00 H new ATOM 1346 N GLU A 88 14.951 4.678 4.959 1.00 0.00 N ATOM 1347 CA GLU A 88 15.872 5.348 4.048 1.00 0.00 C ATOM 1348 C GLU A 88 15.504 6.819 3.879 1.00 0.00 C ATOM 1349 O GLU A 88 16.379 7.678 3.762 1.00 0.00 O ATOM 1350 CB GLU A 88 15.872 4.651 2.687 1.00 0.00 C ATOM 1351 CG GLU A 88 16.785 3.437 2.626 1.00 0.00 C ATOM 1352 CD GLU A 88 17.731 3.477 1.441 1.00 0.00 C ATOM 1353 OE1 GLU A 88 18.815 4.086 1.568 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.389 2.900 0.389 1.00 0.00 O ATOM 0 H GLU A 88 14.186 4.184 4.499 1.00 0.00 H new ATOM 0 HA GLU A 88 16.872 5.292 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.855 4.343 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.179 5.365 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.365 3.377 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.178 2.533 2.571 1.00 0.00 H new ATOM 1361 N ARG A 89 14.206 7.103 3.864 1.00 0.00 N ATOM 1362 CA ARG A 89 13.726 8.472 3.706 1.00 0.00 C ATOM 1363 C ARG A 89 14.238 9.363 4.833 1.00 0.00 C ATOM 1364 O ARG A 89 14.493 10.551 4.632 1.00 0.00 O ATOM 1365 CB ARG A 89 12.196 8.498 3.672 1.00 0.00 C ATOM 1366 CG ARG A 89 11.549 8.092 4.986 1.00 0.00 C ATOM 1367 CD ARG A 89 10.048 8.342 4.969 1.00 0.00 C ATOM 1368 NE ARG A 89 9.585 8.974 6.203 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.709 10.274 6.462 1.00 0.00 C ATOM 1370 NH1 ARG A 89 10.282 11.082 5.580 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.258 10.767 7.608 1.00 0.00 N ATOM 0 H ARG A 89 13.468 6.405 3.959 1.00 0.00 H new ATOM 0 HA ARG A 89 14.110 8.858 2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.864 9.502 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.847 7.830 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.741 7.036 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.003 8.651 5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.796 8.977 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.524 7.397 4.827 1.00 0.00 H new ATOM 0 HE ARG A 89 9.141 8.384 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.631 10.708 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.374 12.077 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.817 10.150 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.353 11.763 7.807 1.00 0.00 H new ATOM 1385 N LYS A 90 14.387 8.783 6.019 1.00 0.00 N ATOM 1386 CA LYS A 90 14.868 9.526 7.178 1.00 0.00 C ATOM 1387 C LYS A 90 16.379 9.730 7.104 1.00 0.00 C ATOM 1388 O LYS A 90 17.128 9.219 7.937 1.00 0.00 O ATOM 1389 CB LYS A 90 14.501 8.791 8.469 1.00 0.00 C ATOM 1390 CG LYS A 90 13.004 8.730 8.728 1.00 0.00 C ATOM 1391 CD LYS A 90 12.609 9.569 9.934 1.00 0.00 C ATOM 1392 CE LYS A 90 11.234 9.182 10.455 1.00 0.00 C ATOM 1393 NZ LYS A 90 10.720 10.165 11.448 1.00 0.00 N ATOM 0 H LYS A 90 14.182 7.801 6.203 1.00 0.00 H new ATOM 0 HA LYS A 90 14.388 10.505 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.896 7.776 8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.987 9.285 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.467 9.083 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.704 7.695 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.348 9.442 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.612 10.624 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.536 9.110 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.284 8.195 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.781 9.865 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.372 10.215 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.648 11.102 11.003 1.00 0.00 H new ATOM 1407 N GLN A 91 16.821 10.478 6.098 1.00 0.00 N ATOM 1408 CA GLN A 91 18.241 10.751 5.913 1.00 0.00 C ATOM 1409 C GLN A 91 18.581 12.178 6.332 1.00 0.00 C ATOM 1410 O GLN A 91 19.541 12.407 7.068 1.00 0.00 O ATOM 1411 CB GLN A 91 18.639 10.523 4.452 1.00 0.00 C ATOM 1412 CG GLN A 91 19.544 9.320 4.249 1.00 0.00 C ATOM 1413 CD GLN A 91 19.899 9.097 2.792 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.677 9.852 2.208 1.00 0.00 O ATOM 1415 NE2 GLN A 91 19.330 8.055 2.197 1.00 0.00 N ATOM 0 H GLN A 91 16.215 10.906 5.398 1.00 0.00 H new ATOM 0 HA GLN A 91 18.804 10.065 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.737 10.393 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.144 11.414 4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.459 9.457 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.052 8.429 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 91 18.691 7.456 2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.532 7.854 1.218 1.00 0.00 H new ATOM 1424 N GLN A 92 17.788 13.134 5.859 1.00 0.00 N ATOM 1425 CA GLN A 92 18.006 14.539 6.184 1.00 0.00 C ATOM 1426 C GLN A 92 19.380 15.001 5.707 1.00 0.00 C ATOM 1427 O GLN A 92 20.178 14.203 5.218 1.00 0.00 O ATOM 1428 CB GLN A 92 17.876 14.760 7.692 1.00 0.00 C ATOM 1429 CG GLN A 92 16.438 14.786 8.182 1.00 0.00 C ATOM 1430 CD GLN A 92 16.334 14.728 9.693 1.00 0.00 C ATOM 1431 OE1 GLN A 92 16.811 15.621 10.394 1.00 0.00 O ATOM 1432 NE2 GLN A 92 15.709 13.674 10.204 1.00 0.00 N ATOM 0 H GLN A 92 16.989 12.961 5.249 1.00 0.00 H new ATOM 0 HA GLN A 92 17.246 15.128 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.415 13.969 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 92 18.358 15.702 7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.952 15.693 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.897 13.943 7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.329 12.957 9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.609 13.581 11.215 1.00 0.00 H new ATOM 1441 N SER A 93 19.647 16.294 5.855 1.00 0.00 N ATOM 1442 CA SER A 93 20.923 16.863 5.439 1.00 0.00 C ATOM 1443 C SER A 93 21.994 16.630 6.500 1.00 0.00 C ATOM 1444 O SER A 93 23.162 16.411 6.179 1.00 0.00 O ATOM 1445 CB SER A 93 20.774 18.361 5.168 1.00 0.00 C ATOM 1446 OG SER A 93 19.874 18.958 6.086 1.00 0.00 O ATOM 0 H SER A 93 18.997 16.968 6.260 1.00 0.00 H new ATOM 0 HA SER A 93 21.232 16.364 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 93 21.748 18.846 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.416 18.516 4.150 1.00 0.00 H new ATOM 0 HG SER A 93 19.797 19.916 5.893 1.00 0.00 H new ATOM 1452 N GLY A 94 21.588 16.681 7.764 1.00 0.00 N ATOM 1453 CA GLY A 94 22.526 16.475 8.853 1.00 0.00 C ATOM 1454 C GLY A 94 22.468 17.587 9.888 1.00 0.00 C ATOM 1455 O GLY A 94 22.810 18.729 9.587 1.00 0.00 O ATOM 0 H GLY A 94 20.627 16.861 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.313 15.521 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.537 16.410 8.450 1.00 0.00 H new ATOM 1459 N PRO A 95 22.035 17.284 11.126 1.00 0.00 N ATOM 1460 CA PRO A 95 21.942 18.285 12.194 1.00 0.00 C ATOM 1461 C PRO A 95 23.238 19.071 12.366 1.00 0.00 C ATOM 1462 O PRO A 95 24.265 18.729 11.780 1.00 0.00 O ATOM 1463 CB PRO A 95 21.655 17.448 13.442 1.00 0.00 C ATOM 1464 CG PRO A 95 20.990 16.218 12.928 1.00 0.00 C ATOM 1465 CD PRO A 95 21.604 15.947 11.582 1.00 0.00 C ATOM 0 HA PRO A 95 21.180 19.035 11.984 1.00 0.00 H new ATOM 0 HB2 PRO A 95 22.574 17.207 13.977 1.00 0.00 H new ATOM 0 HB3 PRO A 95 21.011 17.984 14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.147 15.378 13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.913 16.363 12.844 1.00 0.00 H new ATOM 0 HD2 PRO A 95 22.445 15.257 11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.885 15.501 10.895 1.00 0.00 H new ATOM 1473 N SER A 96 23.181 20.126 13.173 1.00 0.00 N ATOM 1474 CA SER A 96 24.350 20.960 13.421 1.00 0.00 C ATOM 1475 C SER A 96 24.215 21.705 14.745 1.00 0.00 C ATOM 1476 O SER A 96 23.512 22.712 14.834 1.00 0.00 O ATOM 1477 CB SER A 96 24.542 21.959 12.279 1.00 0.00 C ATOM 1478 OG SER A 96 25.916 22.126 11.972 1.00 0.00 O ATOM 0 H SER A 96 22.338 20.423 13.665 1.00 0.00 H new ATOM 0 HA SER A 96 25.223 20.310 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.008 21.612 11.394 1.00 0.00 H new ATOM 0 HB3 SER A 96 24.109 22.920 12.556 1.00 0.00 H new ATOM 0 HG SER A 96 26.011 22.768 11.238 1.00 0.00 H new ATOM 1484 N SER A 97 24.892 21.203 15.773 1.00 0.00 N ATOM 1485 CA SER A 97 24.848 21.821 17.093 1.00 0.00 C ATOM 1486 C SER A 97 26.044 22.745 17.303 1.00 0.00 C ATOM 1487 O SER A 97 25.940 23.769 17.979 1.00 0.00 O ATOM 1488 CB SER A 97 24.823 20.746 18.182 1.00 0.00 C ATOM 1489 OG SER A 97 23.565 20.095 18.226 1.00 0.00 O ATOM 0 H SER A 97 25.478 20.370 15.717 1.00 0.00 H new ATOM 0 HA SER A 97 23.937 22.416 17.157 1.00 0.00 H new ATOM 0 HB2 SER A 97 25.608 20.014 17.993 1.00 0.00 H new ATOM 0 HB3 SER A 97 25.036 21.199 19.150 1.00 0.00 H new ATOM 0 HG SER A 97 23.575 19.412 18.928 1.00 0.00 H new ATOM 1495 N GLY A 98 27.179 22.376 16.719 1.00 0.00 N ATOM 1496 CA GLY A 98 28.378 23.182 16.853 1.00 0.00 C ATOM 1497 C GLY A 98 28.490 24.240 15.773 1.00 0.00 C ATOM 1498 O GLY A 98 28.180 25.416 16.059 1.00 0.00 O ATOM 1499 OXT GLY A 98 28.889 23.894 14.642 1.00 0.00 O ATOM 0 H GLY A 98 27.290 21.533 16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 98 28.381 23.664 17.831 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.254 22.534 16.815 1.00 0.00 H new TER 1503 GLY A 98