USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 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 78 GLN : amide:sc= -0.35 K(o=-0.46,f=-3.2!) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.112 K(o=-0.46,f=-2.7) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.254 USER MOD Set 2.2: A 12 SER OG : rot 51:sc= 0.237 USER MOD Single : A 5 THR OG1 : rot -150:sc= -1.65! USER MOD Single : A 8 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.057 USER MOD Single : A 20 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.047) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.81 K(o=-5.8,f=-7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.44 USER MOD Single : A 37 SER OG : rot 180:sc= -0.402 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 60:sc= -2.13! USER MOD Single : A 64 THR OG1 : rot 61:sc= 1.01 USER MOD Single : A 66 GLN : amide:sc= -2.54 K(o=-2.5,f=-1.5!) USER MOD Single : A 69 CYS SG : rot -79:sc= -1.11 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 13:sc= 1.03 USER MOD Single : A 84 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.93) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -13.527 24.086 1.247 1.00 0.00 N ATOM 2 CA THR A 5 -12.695 22.958 0.841 1.00 0.00 C ATOM 3 C THR A 5 -11.218 23.255 1.084 1.00 0.00 C ATOM 4 O THR A 5 -10.496 22.434 1.650 1.00 0.00 O ATOM 5 CB THR A 5 -12.927 22.633 -0.634 1.00 0.00 C ATOM 6 OG1 THR A 5 -12.571 23.734 -1.453 1.00 0.00 O ATOM 7 CG2 THR A 5 -14.361 22.271 -0.949 1.00 0.00 C ATOM 0 HA THR A 5 -12.976 22.095 1.444 1.00 0.00 H new ATOM 0 HB THR A 5 -12.298 21.767 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.125 23.733 -2.262 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.456 22.052 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.650 21.394 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.012 23.106 -0.691 1.00 0.00 H new ATOM 15 N GLY A 6 -10.775 24.430 0.651 1.00 0.00 N ATOM 16 CA GLY A 6 -9.386 24.811 0.830 1.00 0.00 C ATOM 17 C GLY A 6 -8.561 24.609 -0.426 1.00 0.00 C ATOM 18 O GLY A 6 -7.351 24.396 -0.353 1.00 0.00 O ATOM 0 H GLY A 6 -11.353 25.126 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.336 25.858 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.954 24.226 1.642 1.00 0.00 H new ATOM 22 N ILE A 7 -9.216 24.675 -1.579 1.00 0.00 N ATOM 23 CA ILE A 7 -8.537 24.499 -2.857 1.00 0.00 C ATOM 24 C ILE A 7 -8.699 25.735 -3.739 1.00 0.00 C ATOM 25 O ILE A 7 -9.747 26.381 -3.730 1.00 0.00 O ATOM 26 CB ILE A 7 -9.068 23.263 -3.611 1.00 0.00 C ATOM 27 CG1 ILE A 7 -8.264 23.028 -4.891 1.00 0.00 C ATOM 28 CG2 ILE A 7 -10.547 23.427 -3.930 1.00 0.00 C ATOM 29 CD1 ILE A 7 -6.880 22.470 -4.642 1.00 0.00 C ATOM 0 H ILE A 7 -10.218 24.849 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.480 24.351 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.950 22.391 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.813 22.341 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.175 23.970 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.904 22.545 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.108 23.544 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.689 24.310 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.368 22.329 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.313 23.166 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.961 21.512 -4.128 1.00 0.00 H new ATOM 41 N SER A 8 -7.656 26.059 -4.496 1.00 0.00 N ATOM 42 CA SER A 8 -7.686 27.219 -5.381 1.00 0.00 C ATOM 43 C SER A 8 -8.206 26.838 -6.764 1.00 0.00 C ATOM 44 O SER A 8 -7.960 25.734 -7.249 1.00 0.00 O ATOM 45 CB SER A 8 -6.289 27.830 -5.500 1.00 0.00 C ATOM 46 OG SER A 8 -5.486 27.493 -4.382 1.00 0.00 O ATOM 0 H SER A 8 -6.781 25.536 -4.515 1.00 0.00 H new ATOM 0 HA SER A 8 -8.364 27.956 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.811 27.477 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.369 28.914 -5.580 1.00 0.00 H new ATOM 0 HG SER A 8 -4.598 27.895 -4.484 1.00 0.00 H new ATOM 52 N ARG A 9 -8.927 27.761 -7.393 1.00 0.00 N ATOM 53 CA ARG A 9 -9.483 27.525 -8.721 1.00 0.00 C ATOM 54 C ARG A 9 -8.377 27.225 -9.728 1.00 0.00 C ATOM 55 O ARG A 9 -7.560 28.090 -10.043 1.00 0.00 O ATOM 56 CB ARG A 9 -10.291 28.738 -9.182 1.00 0.00 C ATOM 57 CG ARG A 9 -11.730 28.734 -8.694 1.00 0.00 C ATOM 58 CD ARG A 9 -12.534 29.864 -9.319 1.00 0.00 C ATOM 59 NE ARG A 9 -12.745 29.658 -10.751 1.00 0.00 N ATOM 60 CZ ARG A 9 -13.076 30.630 -11.598 1.00 0.00 C ATOM 61 NH1 ARG A 9 -13.237 31.874 -11.163 1.00 0.00 N ATOM 62 NH2 ARG A 9 -13.248 30.356 -12.884 1.00 0.00 N ATOM 0 H ARG A 9 -9.140 28.680 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.142 26.659 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.800 29.645 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.286 28.774 -10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.195 27.778 -8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.747 28.831 -7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.499 29.943 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.015 30.809 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.632 28.715 -11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.107 32.089 -10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.491 32.614 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.127 29.402 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.502 31.100 -13.534 1.00 0.00 H new ATOM 76 N GLU A 10 -8.357 25.994 -10.229 1.00 0.00 N ATOM 77 CA GLU A 10 -7.349 25.582 -11.199 1.00 0.00 C ATOM 78 C GLU A 10 -8.002 24.981 -12.440 1.00 0.00 C ATOM 79 O GLU A 10 -9.133 24.499 -12.388 1.00 0.00 O ATOM 80 CB GLU A 10 -6.395 24.566 -10.570 1.00 0.00 C ATOM 81 CG GLU A 10 -4.993 24.602 -11.160 1.00 0.00 C ATOM 82 CD GLU A 10 -3.976 25.210 -10.215 1.00 0.00 C ATOM 83 OE1 GLU A 10 -3.894 26.455 -10.152 1.00 0.00 O ATOM 84 OE2 GLU A 10 -3.261 24.443 -9.537 1.00 0.00 O ATOM 0 H GLU A 10 -9.026 25.266 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.785 26.465 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.334 24.752 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.808 23.565 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.685 23.588 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.008 25.174 -12.088 1.00 0.00 H new ATOM 91 N THR A 11 -7.276 25.008 -13.555 1.00 0.00 N ATOM 92 CA THR A 11 -7.780 24.462 -14.811 1.00 0.00 C ATOM 93 C THR A 11 -8.181 23.001 -14.643 1.00 0.00 C ATOM 94 O THR A 11 -7.838 22.368 -13.647 1.00 0.00 O ATOM 95 CB THR A 11 -6.720 24.588 -15.907 1.00 0.00 C ATOM 96 OG1 THR A 11 -7.156 23.962 -17.101 1.00 0.00 O ATOM 97 CG2 THR A 11 -5.389 23.976 -15.526 1.00 0.00 C ATOM 0 H THR A 11 -6.337 25.402 -13.614 1.00 0.00 H new ATOM 0 HA THR A 11 -8.662 25.033 -15.101 1.00 0.00 H new ATOM 0 HB THR A 11 -6.580 25.659 -16.052 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.465 24.055 -17.790 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.683 24.100 -16.347 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.002 24.473 -14.636 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.523 22.914 -15.320 1.00 0.00 H new ATOM 105 N SER A 12 -8.914 22.472 -15.621 1.00 0.00 N ATOM 106 CA SER A 12 -9.367 21.082 -15.581 1.00 0.00 C ATOM 107 C SER A 12 -8.224 20.139 -15.214 1.00 0.00 C ATOM 108 O SER A 12 -7.496 19.662 -16.084 1.00 0.00 O ATOM 109 CB SER A 12 -9.960 20.679 -16.933 1.00 0.00 C ATOM 110 OG SER A 12 -9.090 21.028 -17.996 1.00 0.00 O ATOM 0 H SER A 12 -9.207 22.985 -16.452 1.00 0.00 H new ATOM 0 HA SER A 12 -10.136 21.003 -14.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.144 19.605 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.924 21.169 -17.072 1.00 0.00 H new ATOM 0 HG SER A 12 -8.191 20.686 -17.809 1.00 0.00 H new ATOM 116 N SER A 13 -8.071 19.884 -13.920 1.00 0.00 N ATOM 117 CA SER A 13 -7.015 19.006 -13.429 1.00 0.00 C ATOM 118 C SER A 13 -7.595 17.848 -12.625 1.00 0.00 C ATOM 119 O SER A 13 -8.763 17.873 -12.232 1.00 0.00 O ATOM 120 CB SER A 13 -6.027 19.796 -12.566 1.00 0.00 C ATOM 121 OG SER A 13 -5.127 20.536 -13.371 1.00 0.00 O ATOM 0 H SER A 13 -8.667 20.274 -13.190 1.00 0.00 H new ATOM 0 HA SER A 13 -6.490 18.596 -14.292 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.573 20.473 -11.909 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.470 19.112 -11.926 1.00 0.00 H new ATOM 0 HG SER A 13 -4.508 21.033 -12.797 1.00 0.00 H new ATOM 127 N ASP A 14 -6.768 16.839 -12.376 1.00 0.00 N ATOM 128 CA ASP A 14 -7.172 15.681 -11.620 1.00 0.00 C ATOM 129 C ASP A 14 -7.071 15.974 -10.128 1.00 0.00 C ATOM 130 O ASP A 14 -7.086 17.131 -9.707 1.00 0.00 O ATOM 131 CB ASP A 14 -6.304 14.475 -12.004 1.00 0.00 C ATOM 132 CG ASP A 14 -4.874 14.605 -11.515 1.00 0.00 C ATOM 133 OD1 ASP A 14 -4.068 15.262 -12.207 1.00 0.00 O ATOM 134 OD2 ASP A 14 -4.562 14.051 -10.441 1.00 0.00 O ATOM 0 H ASP A 14 -5.800 16.810 -12.697 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.210 15.442 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.745 13.568 -11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.304 14.363 -13.088 1.00 0.00 H new ATOM 139 N VAL A 15 -6.964 14.922 -9.343 1.00 0.00 N ATOM 140 CA VAL A 15 -6.851 15.052 -7.898 1.00 0.00 C ATOM 141 C VAL A 15 -5.568 15.753 -7.539 1.00 0.00 C ATOM 142 O VAL A 15 -4.554 15.110 -7.267 1.00 0.00 O ATOM 143 CB VAL A 15 -6.865 13.696 -7.163 1.00 0.00 C ATOM 144 CG1 VAL A 15 -8.269 13.355 -6.689 1.00 0.00 C ATOM 145 CG2 VAL A 15 -6.301 12.584 -8.037 1.00 0.00 C ATOM 0 H VAL A 15 -6.953 13.960 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.723 15.625 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.221 13.785 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.256 12.395 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.621 14.129 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.939 13.297 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.325 11.642 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.901 12.493 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.272 12.820 -8.307 1.00 0.00 H new ATOM 155 N ALA A 16 -5.605 17.070 -7.535 1.00 0.00 N ATOM 156 CA ALA A 16 -4.422 17.810 -7.199 1.00 0.00 C ATOM 157 C ALA A 16 -4.207 17.771 -5.696 1.00 0.00 C ATOM 158 O ALA A 16 -4.804 18.543 -4.948 1.00 0.00 O ATOM 159 CB ALA A 16 -4.525 19.244 -7.696 1.00 0.00 C ATOM 0 H ALA A 16 -6.426 17.634 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.564 17.351 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.618 19.787 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.645 19.246 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.386 19.728 -7.235 1.00 0.00 H new ATOM 165 N LEU A 17 -3.347 16.850 -5.286 1.00 0.00 N ATOM 166 CA LEU A 17 -2.997 16.636 -3.879 1.00 0.00 C ATOM 167 C LEU A 17 -3.214 17.885 -3.029 1.00 0.00 C ATOM 168 O LEU A 17 -2.318 18.716 -2.881 1.00 0.00 O ATOM 169 CB LEU A 17 -1.540 16.179 -3.768 1.00 0.00 C ATOM 170 CG LEU A 17 -1.347 14.761 -3.228 1.00 0.00 C ATOM 171 CD1 LEU A 17 -1.171 13.774 -4.371 1.00 0.00 C ATOM 172 CD2 LEU A 17 -0.154 14.706 -2.287 1.00 0.00 C ATOM 0 H LEU A 17 -2.863 16.219 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.661 15.862 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.079 16.242 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.005 16.874 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.240 14.482 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.035 12.771 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.056 13.792 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.296 14.050 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.032 13.690 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.746 15.006 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.320 15.384 -1.449 1.00 0.00 H new ATOM 184 N ALA A 18 -4.413 18.002 -2.476 1.00 0.00 N ATOM 185 CA ALA A 18 -4.770 19.139 -1.634 1.00 0.00 C ATOM 186 C ALA A 18 -3.738 19.356 -0.531 1.00 0.00 C ATOM 187 O ALA A 18 -2.969 18.453 -0.202 1.00 0.00 O ATOM 188 CB ALA A 18 -6.154 18.937 -1.034 1.00 0.00 C ATOM 0 H ALA A 18 -5.161 17.319 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.783 20.031 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.408 19.793 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.888 18.843 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.159 18.030 -0.429 1.00 0.00 H new ATOM 194 N SER A 19 -3.727 20.558 0.035 1.00 0.00 N ATOM 195 CA SER A 19 -2.787 20.894 1.102 1.00 0.00 C ATOM 196 C SER A 19 -2.885 19.900 2.256 1.00 0.00 C ATOM 197 O SER A 19 -1.881 19.563 2.885 1.00 0.00 O ATOM 198 CB SER A 19 -3.051 22.311 1.612 1.00 0.00 C ATOM 199 OG SER A 19 -3.591 23.132 0.589 1.00 0.00 O ATOM 0 H SER A 19 -4.357 21.316 -0.226 1.00 0.00 H new ATOM 0 HA SER A 19 -1.779 20.842 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.741 22.274 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.122 22.747 1.980 1.00 0.00 H new ATOM 0 HG SER A 19 -3.752 24.032 0.942 1.00 0.00 H new ATOM 205 N HIS A 20 -4.100 19.436 2.532 1.00 0.00 N ATOM 206 CA HIS A 20 -4.328 18.481 3.612 1.00 0.00 C ATOM 207 C HIS A 20 -3.556 17.187 3.371 1.00 0.00 C ATOM 208 O HIS A 20 -3.066 16.557 4.312 1.00 0.00 O ATOM 209 CB HIS A 20 -5.821 18.182 3.746 1.00 0.00 C ATOM 210 CG HIS A 20 -6.673 19.412 3.823 1.00 0.00 C ATOM 211 ND1 HIS A 20 -7.090 19.966 5.016 1.00 0.00 N ATOM 212 CD2 HIS A 20 -7.183 20.198 2.846 1.00 0.00 C ATOM 213 CE1 HIS A 20 -7.820 21.039 4.768 1.00 0.00 C ATOM 214 NE2 HIS A 20 -7.892 21.201 3.460 1.00 0.00 N ATOM 0 H HIS A 20 -4.942 19.706 2.023 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.968 18.927 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -6.141 17.581 2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.984 17.580 4.640 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.056 20.062 1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.280 21.675 5.510 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.393 21.950 2.983 1.00 0.00 H new ATOM 223 N ILE A 21 -3.426 16.807 2.106 1.00 0.00 N ATOM 224 CA ILE A 21 -2.689 15.605 1.744 1.00 0.00 C ATOM 225 C ILE A 21 -1.196 15.898 1.678 1.00 0.00 C ATOM 226 O ILE A 21 -0.367 15.072 2.063 1.00 0.00 O ATOM 227 CB ILE A 21 -3.152 15.037 0.387 1.00 0.00 C ATOM 228 CG1 ILE A 21 -4.677 14.935 0.347 1.00 0.00 C ATOM 229 CG2 ILE A 21 -2.516 13.675 0.136 1.00 0.00 C ATOM 230 CD1 ILE A 21 -5.351 16.168 -0.214 1.00 0.00 C ATOM 0 H ILE A 21 -3.822 17.314 1.314 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.888 14.861 2.516 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.831 15.716 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.960 14.071 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.048 14.756 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.853 13.288 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.431 13.776 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.809 12.985 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.432 16.025 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.099 17.032 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.009 16.337 -1.235 1.00 0.00 H new ATOM 242 N LEU A 22 -0.866 17.084 1.176 1.00 0.00 N ATOM 243 CA LEU A 22 0.519 17.512 1.036 1.00 0.00 C ATOM 244 C LEU A 22 1.171 17.770 2.391 1.00 0.00 C ATOM 245 O LEU A 22 2.336 17.437 2.594 1.00 0.00 O ATOM 246 CB LEU A 22 0.587 18.769 0.172 1.00 0.00 C ATOM 247 CG LEU A 22 1.682 18.761 -0.891 1.00 0.00 C ATOM 248 CD1 LEU A 22 1.214 19.479 -2.149 1.00 0.00 C ATOM 249 CD2 LEU A 22 2.949 19.405 -0.349 1.00 0.00 C ATOM 0 H LEU A 22 -1.548 17.771 0.857 1.00 0.00 H new ATOM 0 HA LEU A 22 1.072 16.706 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.376 18.906 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.738 19.631 0.822 1.00 0.00 H new ATOM 0 HG LEU A 22 1.903 17.726 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.009 19.462 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.332 18.977 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.965 20.512 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.721 19.392 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.739 20.436 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.295 18.849 0.522 1.00 0.00 H new ATOM 261 N THR A 23 0.426 18.366 3.317 1.00 0.00 N ATOM 262 CA THR A 23 0.960 18.657 4.644 1.00 0.00 C ATOM 263 C THR A 23 1.411 17.371 5.329 1.00 0.00 C ATOM 264 O THR A 23 2.505 17.300 5.890 1.00 0.00 O ATOM 265 CB THR A 23 -0.086 19.371 5.503 1.00 0.00 C ATOM 266 OG1 THR A 23 0.458 19.731 6.761 1.00 0.00 O ATOM 267 CG2 THR A 23 -1.320 18.535 5.759 1.00 0.00 C ATOM 0 H THR A 23 -0.542 18.655 3.175 1.00 0.00 H new ATOM 0 HA THR A 23 1.821 19.315 4.528 1.00 0.00 H new ATOM 0 HB THR A 23 -0.376 20.253 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.226 20.187 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.021 19.100 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.792 18.282 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.038 17.619 6.279 1.00 0.00 H new ATOM 275 N ALA A 24 0.569 16.348 5.254 1.00 0.00 N ATOM 276 CA ALA A 24 0.875 15.058 5.832 1.00 0.00 C ATOM 277 C ALA A 24 1.951 14.356 5.018 1.00 0.00 C ATOM 278 O ALA A 24 2.748 13.598 5.557 1.00 0.00 O ATOM 279 CB ALA A 24 -0.380 14.200 5.911 1.00 0.00 C ATOM 0 H ALA A 24 -0.339 16.395 4.792 1.00 0.00 H new ATOM 0 HA ALA A 24 1.251 15.211 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.132 13.233 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.124 14.699 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.784 14.053 4.909 1.00 0.00 H new ATOM 285 N LEU A 25 1.987 14.627 3.712 1.00 0.00 N ATOM 286 CA LEU A 25 2.984 14.020 2.837 1.00 0.00 C ATOM 287 C LEU A 25 4.363 14.569 3.153 1.00 0.00 C ATOM 288 O LEU A 25 5.323 13.819 3.311 1.00 0.00 O ATOM 289 CB LEU A 25 2.642 14.289 1.366 1.00 0.00 C ATOM 290 CG LEU A 25 2.437 13.045 0.497 1.00 0.00 C ATOM 291 CD1 LEU A 25 2.469 13.414 -0.979 1.00 0.00 C ATOM 292 CD2 LEU A 25 3.488 11.984 0.808 1.00 0.00 C ATOM 0 H LEU A 25 1.340 15.260 3.242 1.00 0.00 H new ATOM 0 HA LEU A 25 2.981 12.943 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.734 14.891 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.441 14.888 0.929 1.00 0.00 H new ATOM 0 HG LEU A 25 1.457 12.628 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.322 12.518 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.675 14.129 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.434 13.860 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.321 11.110 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.481 12.388 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.414 11.695 1.856 1.00 0.00 H new ATOM 304 N ARG A 26 4.446 15.888 3.261 1.00 0.00 N ATOM 305 CA ARG A 26 5.690 16.545 3.574 1.00 0.00 C ATOM 306 C ARG A 26 6.116 16.206 4.998 1.00 0.00 C ATOM 307 O ARG A 26 7.240 16.497 5.402 1.00 0.00 O ATOM 308 CB ARG A 26 5.551 18.065 3.406 1.00 0.00 C ATOM 309 CG ARG A 26 4.831 18.754 4.557 1.00 0.00 C ATOM 310 CD ARG A 26 5.765 19.668 5.334 1.00 0.00 C ATOM 311 NE ARG A 26 5.778 21.026 4.799 1.00 0.00 N ATOM 312 CZ ARG A 26 6.455 22.033 5.346 1.00 0.00 C ATOM 313 NH1 ARG A 26 7.176 21.837 6.443 1.00 0.00 N ATOM 314 NH2 ARG A 26 6.413 23.238 4.794 1.00 0.00 N ATOM 0 H ARG A 26 3.656 16.520 3.134 1.00 0.00 H new ATOM 0 HA ARG A 26 6.456 16.191 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.545 18.500 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.013 18.270 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.994 19.334 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.414 18.003 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.458 19.694 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.775 19.259 5.308 1.00 0.00 H new ATOM 0 HE ARG A 26 5.236 21.214 3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.213 20.912 6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.693 22.612 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.862 23.393 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.932 24.009 5.213 1.00 0.00 H new ATOM 328 N GLU A 27 5.204 15.614 5.779 1.00 0.00 N ATOM 329 CA GLU A 27 5.508 15.280 7.161 1.00 0.00 C ATOM 330 C GLU A 27 5.324 13.792 7.469 1.00 0.00 C ATOM 331 O GLU A 27 6.309 13.059 7.553 1.00 0.00 O ATOM 332 CB GLU A 27 4.636 16.115 8.103 1.00 0.00 C ATOM 333 CG GLU A 27 5.436 16.991 9.053 1.00 0.00 C ATOM 334 CD GLU A 27 5.524 16.408 10.450 1.00 0.00 C ATOM 335 OE1 GLU A 27 4.573 15.711 10.864 1.00 0.00 O ATOM 336 OE2 GLU A 27 6.544 16.647 11.130 1.00 0.00 O ATOM 0 H GLU A 27 4.263 15.362 5.476 1.00 0.00 H new ATOM 0 HA GLU A 27 6.562 15.511 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.975 16.746 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.001 15.447 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.442 17.127 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.977 17.979 9.104 1.00 0.00 H new ATOM 343 N LYS A 28 4.075 13.339 7.674 1.00 0.00 N ATOM 344 CA LYS A 28 3.858 11.924 8.014 1.00 0.00 C ATOM 345 C LYS A 28 2.689 11.246 7.285 1.00 0.00 C ATOM 346 O LYS A 28 1.820 10.659 7.931 1.00 0.00 O ATOM 347 CB LYS A 28 3.676 11.769 9.528 1.00 0.00 C ATOM 348 CG LYS A 28 4.984 11.698 10.314 1.00 0.00 C ATOM 349 CD LYS A 28 6.022 10.788 9.658 1.00 0.00 C ATOM 350 CE LYS A 28 5.436 9.445 9.244 1.00 0.00 C ATOM 351 NZ LYS A 28 5.076 8.608 10.421 1.00 0.00 N ATOM 0 H LYS A 28 3.230 13.907 7.613 1.00 0.00 H new ATOM 0 HA LYS A 28 4.755 11.411 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.088 12.608 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.099 10.865 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.398 12.701 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.778 11.338 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.436 11.286 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.847 10.623 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.550 9.609 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.157 8.910 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.681 7.703 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.926 8.429 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.369 9.107 10.998 1.00 0.00 H new ATOM 365 N GLN A 29 2.677 11.271 5.959 1.00 0.00 N ATOM 366 CA GLN A 29 1.618 10.593 5.209 1.00 0.00 C ATOM 367 C GLN A 29 2.009 9.130 5.031 1.00 0.00 C ATOM 368 O GLN A 29 3.126 8.856 4.602 1.00 0.00 O ATOM 369 CB GLN A 29 1.405 11.253 3.845 1.00 0.00 C ATOM 370 CG GLN A 29 0.233 10.682 3.068 1.00 0.00 C ATOM 371 CD GLN A 29 0.660 9.644 2.051 1.00 0.00 C ATOM 372 OE1 GLN A 29 1.214 9.974 1.002 1.00 0.00 O ATOM 373 NE2 GLN A 29 0.405 8.378 2.358 1.00 0.00 N ATOM 0 H GLN A 29 3.374 11.744 5.384 1.00 0.00 H new ATOM 0 HA GLN A 29 0.681 10.666 5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.248 12.322 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.312 11.141 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.476 10.233 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.289 11.492 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.056 8.150 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.670 7.633 1.713 1.00 0.00 H new ATOM 382 N ALA A 30 1.135 8.187 5.405 1.00 0.00 N ATOM 383 CA ALA A 30 1.474 6.778 5.305 1.00 0.00 C ATOM 384 C ALA A 30 0.991 6.133 4.009 1.00 0.00 C ATOM 385 O ALA A 30 -0.117 5.602 3.937 1.00 0.00 O ATOM 386 CB ALA A 30 0.919 6.019 6.497 1.00 0.00 C ATOM 0 H ALA A 30 0.203 8.378 5.773 1.00 0.00 H new ATOM 0 HA ALA A 30 2.563 6.722 5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.180 4.964 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.344 6.423 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.166 6.124 6.522 1.00 0.00 H new ATOM 392 N PRO A 31 1.862 6.108 2.993 1.00 0.00 N ATOM 393 CA PRO A 31 1.620 5.470 1.718 1.00 0.00 C ATOM 394 C PRO A 31 2.076 4.025 1.817 1.00 0.00 C ATOM 395 O PRO A 31 2.495 3.416 0.833 1.00 0.00 O ATOM 396 CB PRO A 31 2.485 6.274 0.743 1.00 0.00 C ATOM 397 CG PRO A 31 3.507 6.984 1.583 1.00 0.00 C ATOM 398 CD PRO A 31 3.232 6.631 3.024 1.00 0.00 C ATOM 0 HA PRO A 31 0.576 5.455 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.965 5.619 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.880 6.985 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.515 6.680 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.445 8.062 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.937 5.888 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.314 7.502 3.673 1.00 0.00 H new ATOM 406 N GLU A 32 1.921 3.467 3.017 1.00 0.00 N ATOM 407 CA GLU A 32 2.243 2.074 3.264 1.00 0.00 C ATOM 408 C GLU A 32 0.974 1.281 3.527 1.00 0.00 C ATOM 409 O GLU A 32 0.541 0.465 2.712 1.00 0.00 O ATOM 410 CB GLU A 32 3.217 1.930 4.443 1.00 0.00 C ATOM 411 CG GLU A 32 3.191 3.093 5.423 1.00 0.00 C ATOM 412 CD GLU A 32 4.247 4.138 5.121 1.00 0.00 C ATOM 413 OE1 GLU A 32 5.130 3.866 4.278 1.00 0.00 O ATOM 414 OE2 GLU A 32 4.193 5.228 5.727 1.00 0.00 O ATOM 0 H GLU A 32 1.572 3.967 3.834 1.00 0.00 H new ATOM 0 HA GLU A 32 2.732 1.676 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.984 1.011 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.229 1.822 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.207 3.560 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.340 2.714 6.434 1.00 0.00 H new ATOM 421 N LEU A 33 0.382 1.546 4.690 1.00 0.00 N ATOM 422 CA LEU A 33 -0.844 0.889 5.111 1.00 0.00 C ATOM 423 C LEU A 33 -1.966 1.899 5.343 1.00 0.00 C ATOM 424 O LEU A 33 -3.145 1.547 5.284 1.00 0.00 O ATOM 425 CB LEU A 33 -0.599 0.083 6.388 1.00 0.00 C ATOM 426 CG LEU A 33 -1.831 -0.623 6.956 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.193 -1.831 6.107 1.00 0.00 C ATOM 428 CD2 LEU A 33 -1.587 -1.038 8.400 1.00 0.00 C ATOM 0 H LEU A 33 0.742 2.222 5.363 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.153 0.216 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.168 -0.665 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.199 0.752 7.150 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.669 0.074 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.072 -2.320 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.409 -1.508 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.358 -2.532 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.473 -1.539 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.737 -1.718 8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.376 -0.154 9.002 1.00 0.00 H new ATOM 440 N SER A 34 -1.604 3.155 5.623 1.00 0.00 N ATOM 441 CA SER A 34 -2.601 4.182 5.875 1.00 0.00 C ATOM 442 C SER A 34 -3.341 4.550 4.601 1.00 0.00 C ATOM 443 O SER A 34 -4.497 4.968 4.649 1.00 0.00 O ATOM 444 CB SER A 34 -1.956 5.427 6.481 1.00 0.00 C ATOM 445 OG SER A 34 -2.928 6.274 7.066 1.00 0.00 O ATOM 0 H SER A 34 -0.637 3.476 5.679 1.00 0.00 H new ATOM 0 HA SER A 34 -3.319 3.776 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.226 5.131 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.413 5.971 5.708 1.00 0.00 H new ATOM 0 HG SER A 34 -2.488 7.062 7.448 1.00 0.00 H new ATOM 451 N LEU A 35 -2.681 4.399 3.454 1.00 0.00 N ATOM 452 CA LEU A 35 -3.319 4.730 2.187 1.00 0.00 C ATOM 453 C LEU A 35 -4.251 3.604 1.749 1.00 0.00 C ATOM 454 O LEU A 35 -4.213 2.505 2.301 1.00 0.00 O ATOM 455 CB LEU A 35 -2.265 5.004 1.114 1.00 0.00 C ATOM 456 CG LEU A 35 -1.681 6.424 1.108 1.00 0.00 C ATOM 457 CD1 LEU A 35 -0.906 6.674 -0.177 1.00 0.00 C ATOM 458 CD2 LEU A 35 -2.775 7.471 1.282 1.00 0.00 C ATOM 0 H LEU A 35 -1.723 4.056 3.378 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.913 5.634 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.448 4.294 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.707 4.808 0.137 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.997 6.510 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.499 7.685 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.091 5.955 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.573 6.561 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.331 8.466 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.492 7.387 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.286 7.309 2.231 1.00 0.00 H new ATOM 470 N SER A 36 -5.091 3.883 0.756 1.00 0.00 N ATOM 471 CA SER A 36 -6.029 2.908 0.250 1.00 0.00 C ATOM 472 C SER A 36 -5.559 2.380 -1.099 1.00 0.00 C ATOM 473 O SER A 36 -4.383 2.470 -1.440 1.00 0.00 O ATOM 474 CB SER A 36 -7.422 3.534 0.126 1.00 0.00 C ATOM 475 OG SER A 36 -8.419 2.536 -0.007 1.00 0.00 O ATOM 0 H SER A 36 -5.134 4.788 0.288 1.00 0.00 H new ATOM 0 HA SER A 36 -6.084 2.073 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.629 4.145 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.450 4.198 -0.738 1.00 0.00 H new ATOM 0 HG SER A 36 -9.299 2.961 -0.083 1.00 0.00 H new ATOM 481 N SER A 37 -6.487 1.818 -1.849 1.00 0.00 N ATOM 482 CA SER A 37 -6.184 1.251 -3.159 1.00 0.00 C ATOM 483 C SER A 37 -5.692 2.316 -4.138 1.00 0.00 C ATOM 484 O SER A 37 -4.605 2.191 -4.701 1.00 0.00 O ATOM 485 CB SER A 37 -7.420 0.556 -3.731 1.00 0.00 C ATOM 486 OG SER A 37 -8.386 1.500 -4.158 1.00 0.00 O ATOM 0 H SER A 37 -7.466 1.739 -1.575 1.00 0.00 H new ATOM 0 HA SER A 37 -5.384 0.523 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.130 -0.076 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.855 -0.098 -2.975 1.00 0.00 H new ATOM 0 HG SER A 37 -9.165 1.029 -4.521 1.00 0.00 H new ATOM 492 N GLN A 38 -6.497 3.354 -4.350 1.00 0.00 N ATOM 493 CA GLN A 38 -6.134 4.425 -5.276 1.00 0.00 C ATOM 494 C GLN A 38 -5.101 5.367 -4.678 1.00 0.00 C ATOM 495 O GLN A 38 -4.296 5.950 -5.401 1.00 0.00 O ATOM 496 CB GLN A 38 -7.358 5.237 -5.679 1.00 0.00 C ATOM 497 CG GLN A 38 -8.237 4.552 -6.713 1.00 0.00 C ATOM 498 CD GLN A 38 -8.311 5.323 -8.017 1.00 0.00 C ATOM 499 OE1 GLN A 38 -9.253 6.081 -8.250 1.00 0.00 O ATOM 500 NE2 GLN A 38 -7.317 5.130 -8.876 1.00 0.00 N ATOM 0 H GLN A 38 -7.402 3.477 -3.895 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.705 3.942 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.954 5.444 -4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.030 6.198 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.850 3.552 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.242 4.432 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.556 4.492 -8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.314 5.620 -9.771 1.00 0.00 H new ATOM 509 N ASP A 39 -5.126 5.521 -3.363 1.00 0.00 N ATOM 510 CA ASP A 39 -4.184 6.405 -2.699 1.00 0.00 C ATOM 511 C ASP A 39 -2.771 5.855 -2.829 1.00 0.00 C ATOM 512 O ASP A 39 -1.865 6.557 -3.274 1.00 0.00 O ATOM 513 CB ASP A 39 -4.562 6.584 -1.230 1.00 0.00 C ATOM 514 CG ASP A 39 -4.782 8.041 -0.866 1.00 0.00 C ATOM 515 OD1 ASP A 39 -4.175 8.914 -1.522 1.00 0.00 O ATOM 516 OD2 ASP A 39 -5.561 8.307 0.072 1.00 0.00 O ATOM 0 H ASP A 39 -5.782 5.050 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.221 7.383 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.469 6.018 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.774 6.170 -0.601 1.00 0.00 H new ATOM 521 N LEU A 40 -2.592 4.590 -2.466 1.00 0.00 N ATOM 522 CA LEU A 40 -1.286 3.952 -2.574 1.00 0.00 C ATOM 523 C LEU A 40 -0.864 3.885 -4.037 1.00 0.00 C ATOM 524 O LEU A 40 0.323 3.947 -4.356 1.00 0.00 O ATOM 525 CB LEU A 40 -1.310 2.547 -1.963 1.00 0.00 C ATOM 526 CG LEU A 40 -0.731 2.441 -0.545 1.00 0.00 C ATOM 527 CD1 LEU A 40 -1.707 1.729 0.383 1.00 0.00 C ATOM 528 CD2 LEU A 40 0.608 1.714 -0.570 1.00 0.00 C ATOM 0 H LEU A 40 -3.329 3.990 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.562 4.548 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.341 2.194 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.754 1.874 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.571 3.450 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.277 1.664 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.642 2.287 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.901 0.725 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.005 1.647 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.470 0.710 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.309 2.263 -1.199 1.00 0.00 H new ATOM 540 N GLU A 41 -1.848 3.770 -4.929 1.00 0.00 N ATOM 541 CA GLU A 41 -1.577 3.712 -6.360 1.00 0.00 C ATOM 542 C GLU A 41 -1.062 5.059 -6.853 1.00 0.00 C ATOM 543 O GLU A 41 0.025 5.149 -7.423 1.00 0.00 O ATOM 544 CB GLU A 41 -2.843 3.319 -7.129 1.00 0.00 C ATOM 545 CG GLU A 41 -2.688 2.045 -7.943 1.00 0.00 C ATOM 546 CD GLU A 41 -2.772 2.292 -9.437 1.00 0.00 C ATOM 547 OE1 GLU A 41 -1.764 2.738 -10.023 1.00 0.00 O ATOM 548 OE2 GLU A 41 -3.847 2.041 -10.020 1.00 0.00 O ATOM 0 H GLU A 41 -2.837 3.716 -4.684 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.813 2.955 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.663 3.191 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.121 4.135 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.729 1.583 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.463 1.336 -7.652 1.00 0.00 H new ATOM 555 N LEU A 42 -1.845 6.110 -6.616 1.00 0.00 N ATOM 556 CA LEU A 42 -1.462 7.455 -7.020 1.00 0.00 C ATOM 557 C LEU A 42 -0.156 7.847 -6.348 1.00 0.00 C ATOM 558 O LEU A 42 0.670 8.551 -6.930 1.00 0.00 O ATOM 559 CB LEU A 42 -2.564 8.456 -6.663 1.00 0.00 C ATOM 560 CG LEU A 42 -2.899 9.468 -7.760 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.341 9.933 -7.635 1.00 0.00 C ATOM 562 CD2 LEU A 42 -1.947 10.653 -7.700 1.00 0.00 C ATOM 0 H LEU A 42 -2.748 6.053 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.322 7.469 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.469 7.903 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.264 9.000 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.779 8.980 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.561 10.652 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.009 9.077 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.489 10.404 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.200 11.363 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.034 11.141 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.924 10.305 -7.840 1.00 0.00 H new ATOM 574 N VAL A 43 0.038 7.360 -5.127 1.00 0.00 N ATOM 575 CA VAL A 43 1.266 7.635 -4.390 1.00 0.00 C ATOM 576 C VAL A 43 2.410 6.827 -4.989 1.00 0.00 C ATOM 577 O VAL A 43 3.543 7.298 -5.081 1.00 0.00 O ATOM 578 CB VAL A 43 1.110 7.327 -2.884 1.00 0.00 C ATOM 579 CG1 VAL A 43 1.838 6.049 -2.481 1.00 0.00 C ATOM 580 CG2 VAL A 43 1.591 8.504 -2.047 1.00 0.00 C ATOM 0 H VAL A 43 -0.635 6.777 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 43 1.488 8.698 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 43 0.049 7.167 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.700 5.873 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.433 5.207 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.901 6.152 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.474 8.270 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.642 8.698 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.002 9.388 -2.290 1.00 0.00 H new ATOM 590 N THR A 44 2.086 5.614 -5.427 1.00 0.00 N ATOM 591 CA THR A 44 3.069 4.745 -6.058 1.00 0.00 C ATOM 592 C THR A 44 3.587 5.401 -7.339 1.00 0.00 C ATOM 593 O THR A 44 4.640 5.031 -7.859 1.00 0.00 O ATOM 594 CB THR A 44 2.456 3.374 -6.369 1.00 0.00 C ATOM 595 OG1 THR A 44 2.216 2.652 -5.174 1.00 0.00 O ATOM 596 CG2 THR A 44 3.329 2.507 -7.255 1.00 0.00 C ATOM 0 H THR A 44 1.151 5.213 -5.356 1.00 0.00 H new ATOM 0 HA THR A 44 3.902 4.596 -5.371 1.00 0.00 H new ATOM 0 HB THR A 44 1.529 3.590 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.346 2.911 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.833 1.553 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.497 3.012 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.286 2.332 -6.763 1.00 0.00 H new ATOM 604 N LYS A 45 2.840 6.391 -7.828 1.00 0.00 N ATOM 605 CA LYS A 45 3.209 7.120 -9.024 1.00 0.00 C ATOM 606 C LYS A 45 3.813 8.454 -8.630 1.00 0.00 C ATOM 607 O LYS A 45 4.275 9.214 -9.480 1.00 0.00 O ATOM 608 CB LYS A 45 1.986 7.332 -9.922 1.00 0.00 C ATOM 609 CG LYS A 45 2.078 6.611 -11.256 1.00 0.00 C ATOM 610 CD LYS A 45 0.786 6.739 -12.047 1.00 0.00 C ATOM 611 CE LYS A 45 0.676 5.665 -13.117 1.00 0.00 C ATOM 612 NZ LYS A 45 0.366 6.243 -14.455 1.00 0.00 N ATOM 0 H LYS A 45 1.967 6.703 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 45 3.944 6.542 -9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.095 6.991 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.860 8.399 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.904 7.022 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.300 5.557 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.065 6.667 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.740 7.723 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.612 5.108 -13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.102 4.954 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.299 5.478 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.539 6.753 -14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.121 6.902 -14.732 1.00 0.00 H new ATOM 626 N GLU A 46 3.836 8.718 -7.324 1.00 0.00 N ATOM 627 CA GLU A 46 4.420 9.940 -6.820 1.00 0.00 C ATOM 628 C GLU A 46 5.925 9.834 -6.966 1.00 0.00 C ATOM 629 O GLU A 46 6.650 9.595 -6.004 1.00 0.00 O ATOM 630 CB GLU A 46 4.028 10.171 -5.359 1.00 0.00 C ATOM 631 CG GLU A 46 3.572 11.593 -5.071 1.00 0.00 C ATOM 632 CD GLU A 46 2.179 11.650 -4.474 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.200 11.490 -5.234 1.00 0.00 O ATOM 634 OE2 GLU A 46 2.066 11.851 -3.246 1.00 0.00 O ATOM 0 H GLU A 46 3.457 8.100 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 46 4.049 10.793 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.228 9.480 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.879 9.935 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.276 12.065 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.591 12.171 -5.995 1.00 0.00 H new ATOM 641 N ASP A 47 6.364 9.968 -8.202 1.00 0.00 N ATOM 642 CA ASP A 47 7.777 9.842 -8.537 1.00 0.00 C ATOM 643 C ASP A 47 8.625 10.804 -7.708 1.00 0.00 C ATOM 644 O ASP A 47 8.146 11.844 -7.260 1.00 0.00 O ATOM 645 CB ASP A 47 7.995 10.110 -10.027 1.00 0.00 C ATOM 646 CG ASP A 47 7.560 8.944 -10.893 1.00 0.00 C ATOM 647 OD1 ASP A 47 6.347 8.644 -10.921 1.00 0.00 O ATOM 648 OD2 ASP A 47 8.432 8.331 -11.545 1.00 0.00 O ATOM 0 H ASP A 47 5.760 10.166 -9.000 1.00 0.00 H new ATOM 0 HA ASP A 47 8.087 8.823 -8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.440 11.002 -10.318 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.050 10.318 -10.206 1.00 0.00 H new ATOM 653 N PRO A 48 9.899 10.438 -7.473 1.00 0.00 N ATOM 654 CA PRO A 48 10.828 11.235 -6.667 1.00 0.00 C ATOM 655 C PRO A 48 10.779 12.722 -6.980 1.00 0.00 C ATOM 656 O PRO A 48 11.085 13.555 -6.127 1.00 0.00 O ATOM 657 CB PRO A 48 12.189 10.658 -7.050 1.00 0.00 C ATOM 658 CG PRO A 48 11.912 9.231 -7.367 1.00 0.00 C ATOM 659 CD PRO A 48 10.525 9.189 -7.956 1.00 0.00 C ATOM 0 HA PRO A 48 10.590 11.176 -5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.614 11.180 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.904 10.752 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.646 8.840 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.972 8.615 -6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.554 9.151 -9.045 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.974 8.310 -7.621 1.00 0.00 H new ATOM 667 N LYS A 49 10.419 13.057 -8.209 1.00 0.00 N ATOM 668 CA LYS A 49 10.363 14.451 -8.631 1.00 0.00 C ATOM 669 C LYS A 49 9.191 15.201 -7.999 1.00 0.00 C ATOM 670 O LYS A 49 9.334 16.356 -7.576 1.00 0.00 O ATOM 671 CB LYS A 49 10.270 14.534 -10.154 1.00 0.00 C ATOM 672 CG LYS A 49 11.483 13.962 -10.871 1.00 0.00 C ATOM 673 CD LYS A 49 11.357 12.460 -11.069 1.00 0.00 C ATOM 674 CE LYS A 49 12.222 11.976 -12.223 1.00 0.00 C ATOM 675 NZ LYS A 49 11.423 11.746 -13.458 1.00 0.00 N ATOM 0 H LYS A 49 10.161 12.385 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 49 11.281 14.929 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.378 14.001 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.145 15.577 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.598 14.449 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.383 14.180 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.649 11.945 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.315 12.203 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.001 12.711 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.723 11.051 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.049 11.417 -14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.696 11.026 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.965 12.634 -13.745 1.00 0.00 H new ATOM 689 N ALA A 50 8.039 14.543 -7.887 1.00 0.00 N ATOM 690 CA ALA A 50 6.880 15.172 -7.276 1.00 0.00 C ATOM 691 C ALA A 50 6.912 15.017 -5.774 1.00 0.00 C ATOM 692 O ALA A 50 6.798 15.993 -5.034 1.00 0.00 O ATOM 693 CB ALA A 50 5.593 14.606 -7.854 1.00 0.00 C ATOM 0 H ALA A 50 7.888 13.587 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 50 6.913 16.237 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.738 15.091 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.566 14.787 -8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.551 13.533 -7.666 1.00 0.00 H new ATOM 699 N LEU A 51 7.086 13.786 -5.322 1.00 0.00 N ATOM 700 CA LEU A 51 7.154 13.522 -3.903 1.00 0.00 C ATOM 701 C LEU A 51 8.194 14.440 -3.289 1.00 0.00 C ATOM 702 O LEU A 51 8.003 14.968 -2.200 1.00 0.00 O ATOM 703 CB LEU A 51 7.491 12.051 -3.627 1.00 0.00 C ATOM 704 CG LEU A 51 8.791 11.543 -4.253 1.00 0.00 C ATOM 705 CD1 LEU A 51 9.988 11.947 -3.407 1.00 0.00 C ATOM 706 CD2 LEU A 51 8.747 10.029 -4.420 1.00 0.00 C ATOM 0 H LEU A 51 7.182 12.962 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 51 6.181 13.716 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.547 11.906 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.669 11.434 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 51 8.896 11.998 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.902 11.576 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.033 13.034 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.888 11.521 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.680 9.685 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.616 9.559 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.913 9.758 -5.068 1.00 0.00 H new ATOM 718 N ALA A 52 9.307 14.640 -3.994 1.00 0.00 N ATOM 719 CA ALA A 52 10.361 15.506 -3.489 1.00 0.00 C ATOM 720 C ALA A 52 9.773 16.810 -2.985 1.00 0.00 C ATOM 721 O ALA A 52 9.838 17.109 -1.795 1.00 0.00 O ATOM 722 CB ALA A 52 11.396 15.774 -4.574 1.00 0.00 C ATOM 0 H ALA A 52 9.497 14.219 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 52 10.856 15.003 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.177 16.423 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.837 14.831 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.915 16.260 -5.423 1.00 0.00 H new ATOM 728 N VAL A 53 9.198 17.588 -3.895 1.00 0.00 N ATOM 729 CA VAL A 53 8.610 18.858 -3.496 1.00 0.00 C ATOM 730 C VAL A 53 7.569 18.639 -2.387 1.00 0.00 C ATOM 731 O VAL A 53 7.732 19.156 -1.281 1.00 0.00 O ATOM 732 CB VAL A 53 7.987 19.631 -4.689 1.00 0.00 C ATOM 733 CG1 VAL A 53 7.144 18.720 -5.570 1.00 0.00 C ATOM 734 CG2 VAL A 53 7.166 20.817 -4.202 1.00 0.00 C ATOM 0 H VAL A 53 9.127 17.369 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 53 9.419 19.478 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 53 8.810 20.009 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.725 19.297 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.768 17.920 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.335 18.290 -4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.741 21.341 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.362 20.463 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.807 21.498 -3.642 1.00 0.00 H new ATOM 744 N ALA A 54 6.499 17.890 -2.671 1.00 0.00 N ATOM 745 CA ALA A 54 5.454 17.642 -1.670 1.00 0.00 C ATOM 746 C ALA A 54 6.017 17.078 -0.373 1.00 0.00 C ATOM 747 O ALA A 54 5.343 17.083 0.656 1.00 0.00 O ATOM 748 CB ALA A 54 4.393 16.711 -2.235 1.00 0.00 C ATOM 0 H ALA A 54 6.333 17.449 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 54 5.000 18.604 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.624 16.536 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.941 17.167 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.852 15.762 -2.513 1.00 0.00 H new ATOM 754 N LEU A 55 7.251 16.608 -0.418 1.00 0.00 N ATOM 755 CA LEU A 55 7.884 16.070 0.752 1.00 0.00 C ATOM 756 C LEU A 55 9.219 16.707 0.929 1.00 0.00 C ATOM 757 O LEU A 55 10.170 16.061 1.336 1.00 0.00 O ATOM 758 CB LEU A 55 8.012 14.564 0.643 1.00 0.00 C ATOM 759 CG LEU A 55 6.670 13.864 0.589 1.00 0.00 C ATOM 760 CD1 LEU A 55 6.133 13.868 -0.830 1.00 0.00 C ATOM 761 CD2 LEU A 55 6.780 12.448 1.124 1.00 0.00 C ATOM 0 H LEU A 55 7.828 16.592 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 55 7.270 16.288 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.582 14.316 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.578 14.189 1.496 1.00 0.00 H new ATOM 0 HG LEU A 55 5.969 14.407 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.168 13.362 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.012 14.896 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.832 13.349 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.805 11.964 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.494 11.886 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.121 12.476 2.159 1.00 0.00 H new ATOM 773 N ASN A 56 9.304 17.961 0.516 1.00 0.00 N ATOM 774 CA ASN A 56 10.539 18.694 0.529 1.00 0.00 C ATOM 775 C ASN A 56 11.476 18.289 1.658 1.00 0.00 C ATOM 776 O ASN A 56 11.506 18.875 2.738 1.00 0.00 O ATOM 777 CB ASN A 56 10.199 20.170 0.627 1.00 0.00 C ATOM 778 CG ASN A 56 11.071 21.036 -0.259 1.00 0.00 C ATOM 779 OD1 ASN A 56 12.147 21.474 0.146 1.00 0.00 O ATOM 780 ND2 ASN A 56 10.608 21.290 -1.479 1.00 0.00 N ATOM 0 H ASN A 56 8.509 18.493 0.162 1.00 0.00 H new ATOM 0 HA ASN A 56 11.079 18.468 -0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.154 20.316 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.306 20.494 1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.151 21.869 -2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.710 20.906 -1.774 1.00 0.00 H new ATOM 787 N TRP A 57 12.259 17.289 1.316 1.00 0.00 N ATOM 788 CA TRP A 57 13.283 16.705 2.171 1.00 0.00 C ATOM 789 C TRP A 57 14.403 16.239 1.269 1.00 0.00 C ATOM 790 O TRP A 57 14.378 16.511 0.068 1.00 0.00 O ATOM 791 CB TRP A 57 12.781 15.500 2.963 1.00 0.00 C ATOM 792 CG TRP A 57 11.359 15.533 3.406 1.00 0.00 C ATOM 793 CD1 TRP A 57 10.633 16.573 3.904 1.00 0.00 C ATOM 794 CD2 TRP A 57 10.502 14.413 3.388 1.00 0.00 C ATOM 795 NE1 TRP A 57 9.340 16.155 4.159 1.00 0.00 N ATOM 796 CE2 TRP A 57 9.248 14.820 3.856 1.00 0.00 C ATOM 797 CE3 TRP A 57 10.692 13.099 3.003 1.00 0.00 C ATOM 798 CZ2 TRP A 57 8.177 13.938 3.948 1.00 0.00 C ATOM 799 CZ3 TRP A 57 9.638 12.221 3.093 1.00 0.00 C ATOM 800 CH2 TRP A 57 8.395 12.642 3.561 1.00 0.00 C ATOM 0 H TRP A 57 12.202 16.840 0.402 1.00 0.00 H new ATOM 0 HA TRP A 57 13.598 17.460 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 57 12.926 14.608 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 57 13.410 15.388 3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 57 11.010 17.571 4.074 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.583 16.740 4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 57 11.653 12.768 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.212 14.262 4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 9.775 11.191 2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.585 11.930 3.620 1.00 0.00 H new ATOM 811 N ASP A 58 15.354 15.485 1.799 1.00 0.00 N ATOM 812 CA ASP A 58 16.409 14.951 0.960 1.00 0.00 C ATOM 813 C ASP A 58 15.807 13.842 0.111 1.00 0.00 C ATOM 814 O ASP A 58 14.898 13.148 0.562 1.00 0.00 O ATOM 815 CB ASP A 58 17.546 14.395 1.817 1.00 0.00 C ATOM 816 CG ASP A 58 18.876 14.396 1.089 1.00 0.00 C ATOM 817 OD1 ASP A 58 19.328 15.486 0.681 1.00 0.00 O ATOM 818 OD2 ASP A 58 19.466 13.307 0.928 1.00 0.00 O ATOM 0 H ASP A 58 15.416 15.234 2.786 1.00 0.00 H new ATOM 0 HA ASP A 58 16.821 15.738 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.634 14.988 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.303 13.377 2.121 1.00 0.00 H new ATOM 823 N ILE A 59 16.276 13.680 -1.115 1.00 0.00 N ATOM 824 CA ILE A 59 15.730 12.661 -1.985 1.00 0.00 C ATOM 825 C ILE A 59 15.916 11.302 -1.376 1.00 0.00 C ATOM 826 O ILE A 59 14.979 10.509 -1.306 1.00 0.00 O ATOM 827 CB ILE A 59 16.358 12.711 -3.376 1.00 0.00 C ATOM 828 CG1 ILE A 59 15.792 11.604 -4.270 1.00 0.00 C ATOM 829 CG2 ILE A 59 17.874 12.617 -3.292 1.00 0.00 C ATOM 830 CD1 ILE A 59 15.780 11.961 -5.740 1.00 0.00 C ATOM 0 H ILE A 59 17.026 14.237 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 59 14.664 12.858 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 59 16.105 13.671 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 59 16.381 10.698 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.775 11.376 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.297 12.655 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.258 13.451 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 59 18.154 11.678 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.366 11.131 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.167 12.849 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.798 12.161 -6.074 1.00 0.00 H new ATOM 842 N LYS A 60 17.124 11.033 -0.915 1.00 0.00 N ATOM 843 CA LYS A 60 17.391 9.763 -0.296 1.00 0.00 C ATOM 844 C LYS A 60 16.420 9.549 0.858 1.00 0.00 C ATOM 845 O LYS A 60 15.998 8.428 1.141 1.00 0.00 O ATOM 846 CB LYS A 60 18.837 9.691 0.198 1.00 0.00 C ATOM 847 CG LYS A 60 19.204 8.351 0.813 1.00 0.00 C ATOM 848 CD LYS A 60 20.469 8.450 1.651 1.00 0.00 C ATOM 849 CE LYS A 60 20.147 8.664 3.121 1.00 0.00 C ATOM 850 NZ LYS A 60 19.979 7.377 3.848 1.00 0.00 N ATOM 0 H LYS A 60 17.919 11.670 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 60 17.252 8.973 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.508 9.894 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.000 10.477 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.381 7.997 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.346 7.614 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.056 7.539 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 60 21.084 9.274 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.945 9.242 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.234 9.253 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.761 7.568 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.200 6.836 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.859 6.826 3.786 1.00 0.00 H new ATOM 864 N LYS A 61 16.070 10.652 1.515 1.00 0.00 N ATOM 865 CA LYS A 61 15.146 10.631 2.640 1.00 0.00 C ATOM 866 C LYS A 61 13.686 10.536 2.191 1.00 0.00 C ATOM 867 O LYS A 61 12.904 9.776 2.771 1.00 0.00 O ATOM 868 CB LYS A 61 15.342 11.879 3.501 1.00 0.00 C ATOM 869 CG LYS A 61 15.008 11.665 4.969 1.00 0.00 C ATOM 870 CD LYS A 61 13.533 11.903 5.245 1.00 0.00 C ATOM 871 CE LYS A 61 13.322 12.596 6.583 1.00 0.00 C ATOM 872 NZ LYS A 61 11.896 12.549 7.014 1.00 0.00 N ATOM 0 H LYS A 61 16.419 11.582 1.282 1.00 0.00 H new ATOM 0 HA LYS A 61 15.368 9.738 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.377 12.209 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.719 12.682 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.274 10.649 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.607 12.339 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.106 12.511 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.002 10.951 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.946 12.121 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.645 13.634 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.794 13.032 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.303 13.024 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.595 11.558 7.110 1.00 0.00 H new ATOM 886 N THR A 62 13.302 11.309 1.169 1.00 0.00 N ATOM 887 CA THR A 62 11.922 11.286 0.703 1.00 0.00 C ATOM 888 C THR A 62 11.650 10.016 -0.075 1.00 0.00 C ATOM 889 O THR A 62 10.538 9.485 -0.040 1.00 0.00 O ATOM 890 CB THR A 62 11.614 12.518 -0.146 1.00 0.00 C ATOM 891 OG1 THR A 62 10.276 12.488 -0.604 1.00 0.00 O ATOM 892 CG2 THR A 62 12.509 12.665 -1.350 1.00 0.00 C ATOM 0 H THR A 62 13.917 11.944 0.661 1.00 0.00 H new ATOM 0 HA THR A 62 11.265 11.305 1.573 1.00 0.00 H new ATOM 0 HB THR A 62 11.789 13.368 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.668 12.471 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.230 13.562 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.546 12.747 -1.025 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.399 11.792 -1.994 1.00 0.00 H new ATOM 900 N GLU A 63 12.668 9.504 -0.758 1.00 0.00 N ATOM 901 CA GLU A 63 12.513 8.279 -1.509 1.00 0.00 C ATOM 902 C GLU A 63 12.386 7.104 -0.550 1.00 0.00 C ATOM 903 O GLU A 63 11.678 6.141 -0.829 1.00 0.00 O ATOM 904 CB GLU A 63 13.697 8.068 -2.454 1.00 0.00 C ATOM 905 CG GLU A 63 13.325 7.363 -3.748 1.00 0.00 C ATOM 906 CD GLU A 63 13.243 5.857 -3.590 1.00 0.00 C ATOM 907 OE1 GLU A 63 14.128 5.282 -2.921 1.00 0.00 O ATOM 908 OE2 GLU A 63 12.295 5.254 -4.134 1.00 0.00 O ATOM 0 H GLU A 63 13.599 9.919 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 63 11.608 8.350 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.139 9.036 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.462 7.486 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.365 7.740 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.062 7.604 -4.514 1.00 0.00 H new ATOM 915 N THR A 64 13.082 7.195 0.583 1.00 0.00 N ATOM 916 CA THR A 64 13.047 6.144 1.593 1.00 0.00 C ATOM 917 C THR A 64 11.646 6.023 2.184 1.00 0.00 C ATOM 918 O THR A 64 11.152 4.916 2.401 1.00 0.00 O ATOM 919 CB THR A 64 14.067 6.431 2.700 1.00 0.00 C ATOM 920 OG1 THR A 64 15.387 6.319 2.203 1.00 0.00 O ATOM 921 CG2 THR A 64 13.950 5.497 3.889 1.00 0.00 C ATOM 0 H THR A 64 13.677 7.988 0.822 1.00 0.00 H new ATOM 0 HA THR A 64 13.308 5.199 1.117 1.00 0.00 H new ATOM 0 HB THR A 64 13.848 7.446 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.521 6.969 1.482 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.703 5.759 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.957 5.591 4.329 1.00 0.00 H new ATOM 0 HG23 THR A 64 14.106 4.469 3.561 1.00 0.00 H new ATOM 929 N VAL A 65 10.997 7.162 2.415 1.00 0.00 N ATOM 930 CA VAL A 65 9.643 7.159 2.948 1.00 0.00 C ATOM 931 C VAL A 65 8.722 6.513 1.930 1.00 0.00 C ATOM 932 O VAL A 65 7.791 5.787 2.278 1.00 0.00 O ATOM 933 CB VAL A 65 9.151 8.587 3.263 1.00 0.00 C ATOM 934 CG1 VAL A 65 7.708 8.567 3.750 1.00 0.00 C ATOM 935 CG2 VAL A 65 10.055 9.246 4.293 1.00 0.00 C ATOM 0 H VAL A 65 11.385 8.089 2.242 1.00 0.00 H new ATOM 0 HA VAL A 65 9.638 6.597 3.882 1.00 0.00 H new ATOM 0 HB VAL A 65 9.190 9.172 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.383 9.585 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.069 8.138 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.638 7.964 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.693 10.253 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.049 8.659 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.072 9.300 3.904 1.00 0.00 H new ATOM 945 N GLN A 66 9.017 6.771 0.659 1.00 0.00 N ATOM 946 CA GLN A 66 8.250 6.205 -0.433 1.00 0.00 C ATOM 947 C GLN A 66 8.613 4.732 -0.637 1.00 0.00 C ATOM 948 O GLN A 66 7.769 3.920 -1.016 1.00 0.00 O ATOM 949 CB GLN A 66 8.493 6.997 -1.723 1.00 0.00 C ATOM 950 CG GLN A 66 7.975 6.306 -2.976 1.00 0.00 C ATOM 951 CD GLN A 66 7.128 7.220 -3.839 1.00 0.00 C ATOM 952 OE1 GLN A 66 7.463 7.490 -4.992 1.00 0.00 O ATOM 953 NE2 GLN A 66 6.022 7.700 -3.285 1.00 0.00 N ATOM 0 H GLN A 66 9.787 7.372 0.365 1.00 0.00 H new ATOM 0 HA GLN A 66 7.192 6.268 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.016 7.973 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.563 7.174 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.820 5.941 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.386 5.435 -2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.782 7.450 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.411 8.319 -3.819 1.00 0.00 H new ATOM 962 N GLU A 67 9.877 4.402 -0.384 1.00 0.00 N ATOM 963 CA GLU A 67 10.366 3.035 -0.538 1.00 0.00 C ATOM 964 C GLU A 67 9.703 2.118 0.479 1.00 0.00 C ATOM 965 O GLU A 67 9.381 0.967 0.182 1.00 0.00 O ATOM 966 CB GLU A 67 11.887 2.992 -0.374 1.00 0.00 C ATOM 967 CG GLU A 67 12.605 2.322 -1.535 1.00 0.00 C ATOM 968 CD GLU A 67 12.706 0.819 -1.368 1.00 0.00 C ATOM 969 OE1 GLU A 67 13.087 0.368 -0.268 1.00 0.00 O ATOM 970 OE2 GLU A 67 12.404 0.092 -2.338 1.00 0.00 O ATOM 0 H GLU A 67 10.584 5.067 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 67 10.112 2.688 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.261 4.010 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.130 2.462 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.077 2.546 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.607 2.742 -1.629 1.00 0.00 H new ATOM 977 N ALA A 68 9.474 2.651 1.671 1.00 0.00 N ATOM 978 CA ALA A 68 8.816 1.896 2.721 1.00 0.00 C ATOM 979 C ALA A 68 7.344 1.752 2.379 1.00 0.00 C ATOM 980 O ALA A 68 6.728 0.712 2.613 1.00 0.00 O ATOM 981 CB ALA A 68 8.992 2.584 4.067 1.00 0.00 C ATOM 0 H ALA A 68 9.735 3.602 1.932 1.00 0.00 H new ATOM 0 HA ALA A 68 9.268 0.907 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.491 2.002 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.054 2.661 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.557 3.582 4.025 1.00 0.00 H new ATOM 987 N CYS A 69 6.790 2.818 1.808 1.00 0.00 N ATOM 988 CA CYS A 69 5.394 2.861 1.407 1.00 0.00 C ATOM 989 C CYS A 69 5.052 1.718 0.450 1.00 0.00 C ATOM 990 O CYS A 69 3.985 1.112 0.550 1.00 0.00 O ATOM 991 CB CYS A 69 5.113 4.225 0.753 1.00 0.00 C ATOM 992 SG CYS A 69 4.865 4.190 -1.044 1.00 0.00 S ATOM 0 H CYS A 69 7.302 3.678 1.611 1.00 0.00 H new ATOM 0 HA CYS A 69 4.764 2.736 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.225 4.655 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.945 4.894 0.975 1.00 0.00 H new ATOM 0 HG CYS A 69 6.018 4.108 -1.640 1.00 0.00 H new ATOM 998 N GLU A 70 5.962 1.430 -0.477 1.00 0.00 N ATOM 999 CA GLU A 70 5.755 0.363 -1.449 1.00 0.00 C ATOM 1000 C GLU A 70 5.869 -1.006 -0.794 1.00 0.00 C ATOM 1001 O GLU A 70 5.028 -1.880 -1.006 1.00 0.00 O ATOM 1002 CB GLU A 70 6.770 0.481 -2.588 1.00 0.00 C ATOM 1003 CG GLU A 70 6.437 1.575 -3.589 1.00 0.00 C ATOM 1004 CD GLU A 70 7.465 1.685 -4.698 1.00 0.00 C ATOM 1005 OE1 GLU A 70 7.301 0.999 -5.729 1.00 0.00 O ATOM 1006 OE2 GLU A 70 8.433 2.457 -4.535 1.00 0.00 O ATOM 0 H GLU A 70 6.850 1.922 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 70 4.748 0.467 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.756 0.674 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.829 -0.473 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.458 1.377 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.367 2.530 -3.068 1.00 0.00 H new ATOM 1013 N ARG A 71 6.918 -1.190 0.002 1.00 0.00 N ATOM 1014 CA ARG A 71 7.143 -2.458 0.687 1.00 0.00 C ATOM 1015 C ARG A 71 5.892 -2.895 1.441 1.00 0.00 C ATOM 1016 O ARG A 71 5.598 -4.087 1.546 1.00 0.00 O ATOM 1017 CB ARG A 71 8.322 -2.339 1.655 1.00 0.00 C ATOM 1018 CG ARG A 71 9.199 -3.579 1.703 1.00 0.00 C ATOM 1019 CD ARG A 71 10.261 -3.555 0.616 1.00 0.00 C ATOM 1020 NE ARG A 71 11.571 -3.966 1.120 1.00 0.00 N ATOM 1021 CZ ARG A 71 12.707 -3.810 0.445 1.00 0.00 C ATOM 1022 NH1 ARG A 71 12.700 -3.254 -0.760 1.00 0.00 N ATOM 1023 NH2 ARG A 71 13.854 -4.210 0.978 1.00 0.00 N ATOM 0 H ARG A 71 7.624 -0.478 0.188 1.00 0.00 H new ATOM 0 HA ARG A 71 7.376 -3.213 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.933 -1.483 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.940 -2.135 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.678 -3.649 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.579 -4.468 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.962 -4.216 -0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.332 -2.550 0.200 1.00 0.00 H new ATOM 0 HE ARG A 71 11.616 -4.398 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.821 -2.944 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.574 -3.137 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.865 -4.637 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.725 -4.091 0.461 1.00 0.00 H new ATOM 1037 N GLU A 72 5.135 -1.920 1.934 1.00 0.00 N ATOM 1038 CA GLU A 72 3.900 -2.207 2.645 1.00 0.00 C ATOM 1039 C GLU A 72 2.796 -2.541 1.652 1.00 0.00 C ATOM 1040 O GLU A 72 1.963 -3.412 1.901 1.00 0.00 O ATOM 1041 CB GLU A 72 3.493 -1.020 3.518 1.00 0.00 C ATOM 1042 CG GLU A 72 3.200 -1.403 4.958 1.00 0.00 C ATOM 1043 CD GLU A 72 4.365 -1.122 5.885 1.00 0.00 C ATOM 1044 OE1 GLU A 72 4.898 0.008 5.842 1.00 0.00 O ATOM 1045 OE2 GLU A 72 4.745 -2.029 6.655 1.00 0.00 O ATOM 0 H GLU A 72 5.357 -0.928 1.853 1.00 0.00 H new ATOM 0 HA GLU A 72 4.062 -3.067 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.290 -0.277 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.609 -0.548 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.324 -0.854 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.951 -2.463 5.005 1.00 0.00 H new ATOM 1052 N LEU A 73 2.791 -1.829 0.529 1.00 0.00 N ATOM 1053 CA LEU A 73 1.786 -2.031 -0.509 1.00 0.00 C ATOM 1054 C LEU A 73 1.648 -3.506 -0.876 1.00 0.00 C ATOM 1055 O LEU A 73 0.542 -4.048 -0.859 1.00 0.00 O ATOM 1056 CB LEU A 73 2.138 -1.214 -1.756 1.00 0.00 C ATOM 1057 CG LEU A 73 1.203 -1.416 -2.951 1.00 0.00 C ATOM 1058 CD1 LEU A 73 -0.246 -1.198 -2.544 1.00 0.00 C ATOM 1059 CD2 LEU A 73 1.584 -0.479 -4.088 1.00 0.00 C ATOM 0 H LEU A 73 3.475 -1.104 0.314 1.00 0.00 H new ATOM 0 HA LEU A 73 0.829 -1.691 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.139 -0.157 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.153 -1.467 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 73 1.309 -2.444 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.893 -1.347 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.515 -1.909 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.370 -0.182 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.910 -0.635 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.508 0.554 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.608 -0.684 -4.401 1.00 0.00 H new ATOM 1071 N ALA A 74 2.760 -4.156 -1.213 1.00 0.00 N ATOM 1072 CA ALA A 74 2.728 -5.565 -1.587 1.00 0.00 C ATOM 1073 C ALA A 74 2.598 -6.468 -0.364 1.00 0.00 C ATOM 1074 O ALA A 74 1.976 -7.528 -0.433 1.00 0.00 O ATOM 1075 CB ALA A 74 3.976 -5.925 -2.382 1.00 0.00 C ATOM 0 H ALA A 74 3.687 -3.732 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 74 1.848 -5.726 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.941 -6.979 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.020 -5.317 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.861 -5.737 -1.774 1.00 0.00 H new ATOM 1081 N LEU A 75 3.170 -6.042 0.760 1.00 0.00 N ATOM 1082 CA LEU A 75 3.089 -6.827 1.985 1.00 0.00 C ATOM 1083 C LEU A 75 1.632 -6.986 2.407 1.00 0.00 C ATOM 1084 O LEU A 75 1.199 -8.068 2.803 1.00 0.00 O ATOM 1085 CB LEU A 75 3.891 -6.161 3.107 1.00 0.00 C ATOM 1086 CG LEU A 75 4.226 -7.073 4.291 1.00 0.00 C ATOM 1087 CD1 LEU A 75 5.698 -7.453 4.275 1.00 0.00 C ATOM 1088 CD2 LEU A 75 3.864 -6.397 5.606 1.00 0.00 C ATOM 0 H LEU A 75 3.688 -5.168 0.846 1.00 0.00 H new ATOM 0 HA LEU A 75 3.515 -7.812 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.821 -5.776 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.328 -5.303 3.476 1.00 0.00 H new ATOM 0 HG LEU A 75 3.635 -7.984 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.916 -8.101 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.928 -7.979 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.307 -6.552 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.109 -7.060 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.427 -5.469 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.796 -6.177 5.620 1.00 0.00 H new ATOM 1100 N ARG A 76 0.885 -5.894 2.305 1.00 0.00 N ATOM 1101 CA ARG A 76 -0.529 -5.887 2.660 1.00 0.00 C ATOM 1102 C ARG A 76 -1.366 -6.577 1.583 1.00 0.00 C ATOM 1103 O ARG A 76 -2.429 -7.127 1.868 1.00 0.00 O ATOM 1104 CB ARG A 76 -1.019 -4.452 2.861 1.00 0.00 C ATOM 1105 CG ARG A 76 -2.012 -4.302 4.002 1.00 0.00 C ATOM 1106 CD ARG A 76 -3.227 -5.195 3.805 1.00 0.00 C ATOM 1107 NE ARG A 76 -3.887 -4.947 2.525 1.00 0.00 N ATOM 1108 CZ ARG A 76 -4.796 -5.758 1.991 1.00 0.00 C ATOM 1109 NH1 ARG A 76 -5.153 -6.872 2.617 1.00 0.00 N ATOM 1110 NH2 ARG A 76 -5.351 -5.454 0.824 1.00 0.00 N ATOM 0 H ARG A 76 1.238 -4.995 1.977 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.646 -6.438 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.161 -3.807 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.483 -4.103 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.525 -4.551 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.331 -3.262 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.921 -6.240 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.935 -5.028 4.616 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.636 -4.103 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.730 -7.111 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.851 -7.489 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.080 -4.599 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.048 -6.075 0.414 1.00 0.00 H new ATOM 1124 N LEU A 77 -0.877 -6.543 0.347 1.00 0.00 N ATOM 1125 CA LEU A 77 -1.577 -7.166 -0.770 1.00 0.00 C ATOM 1126 C LEU A 77 -1.447 -8.688 -0.715 1.00 0.00 C ATOM 1127 O LEU A 77 -2.393 -9.412 -1.017 1.00 0.00 O ATOM 1128 CB LEU A 77 -1.029 -6.624 -2.098 1.00 0.00 C ATOM 1129 CG LEU A 77 -1.075 -7.594 -3.281 1.00 0.00 C ATOM 1130 CD1 LEU A 77 -2.507 -8.017 -3.573 1.00 0.00 C ATOM 1131 CD2 LEU A 77 -0.441 -6.963 -4.511 1.00 0.00 C ATOM 0 H LEU A 77 0.001 -6.090 0.094 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.636 -6.919 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.592 -5.729 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.005 -6.316 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.504 -8.484 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.518 -8.706 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.927 -8.510 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.104 -7.138 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.482 -7.666 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.984 -6.056 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.598 -6.714 -4.297 1.00 0.00 H new ATOM 1143 N GLN A 78 -0.266 -9.162 -0.333 1.00 0.00 N ATOM 1144 CA GLN A 78 -0.009 -10.597 -0.246 1.00 0.00 C ATOM 1145 C GLN A 78 -0.586 -11.192 1.039 1.00 0.00 C ATOM 1146 O GLN A 78 -0.703 -12.409 1.169 1.00 0.00 O ATOM 1147 CB GLN A 78 1.496 -10.869 -0.313 1.00 0.00 C ATOM 1148 CG GLN A 78 2.150 -10.352 -1.582 1.00 0.00 C ATOM 1149 CD GLN A 78 2.360 -11.441 -2.617 1.00 0.00 C ATOM 1150 OE1 GLN A 78 2.409 -12.625 -2.285 1.00 0.00 O ATOM 1151 NE2 GLN A 78 2.483 -11.044 -3.877 1.00 0.00 N ATOM 0 H GLN A 78 0.528 -8.575 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.503 -11.075 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.979 -10.408 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.667 -11.943 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.531 -9.564 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.111 -9.902 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.436 -10.051 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.625 -11.732 -4.617 1.00 0.00 H new ATOM 1160 N GLN A 79 -0.938 -10.329 1.987 1.00 0.00 N ATOM 1161 CA GLN A 79 -1.491 -10.776 3.262 1.00 0.00 C ATOM 1162 C GLN A 79 -2.812 -11.520 3.068 1.00 0.00 C ATOM 1163 O GLN A 79 -3.196 -12.341 3.901 1.00 0.00 O ATOM 1164 CB GLN A 79 -1.697 -9.583 4.196 1.00 0.00 C ATOM 1165 CG GLN A 79 -0.552 -9.372 5.174 1.00 0.00 C ATOM 1166 CD GLN A 79 -1.031 -9.170 6.599 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -1.695 -10.034 7.171 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -0.696 -8.022 7.178 1.00 0.00 N ATOM 0 H GLN A 79 -0.850 -9.317 1.897 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.777 -11.467 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.824 -8.681 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.621 -9.726 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.115 -10.233 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.030 -8.504 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.144 -7.334 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.991 -7.828 8.135 1.00 0.00 H new ATOM 1177 N THR A 80 -3.510 -11.225 1.975 1.00 0.00 N ATOM 1178 CA THR A 80 -4.790 -11.868 1.696 1.00 0.00 C ATOM 1179 C THR A 80 -4.606 -13.135 0.863 1.00 0.00 C ATOM 1180 O THR A 80 -5.243 -14.157 1.127 1.00 0.00 O ATOM 1181 CB THR A 80 -5.729 -10.898 0.974 1.00 0.00 C ATOM 1182 OG1 THR A 80 -7.036 -11.437 0.887 1.00 0.00 O ATOM 1183 CG2 THR A 80 -5.281 -10.555 -0.431 1.00 0.00 C ATOM 0 H THR A 80 -3.213 -10.549 1.272 1.00 0.00 H new ATOM 0 HA THR A 80 -5.234 -12.151 2.650 1.00 0.00 H new ATOM 0 HB THR A 80 -5.713 -9.987 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.622 -10.802 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.993 -9.864 -0.882 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.296 -10.089 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.230 -11.465 -1.029 1.00 0.00 H new ATOM 1191 N GLN A 81 -3.736 -13.066 -0.140 1.00 0.00 N ATOM 1192 CA GLN A 81 -3.480 -14.213 -1.004 1.00 0.00 C ATOM 1193 C GLN A 81 -2.468 -15.161 -0.368 1.00 0.00 C ATOM 1194 O GLN A 81 -1.330 -14.778 -0.094 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.976 -13.750 -2.371 1.00 0.00 C ATOM 1196 CG GLN A 81 -1.819 -12.768 -2.296 1.00 0.00 C ATOM 1197 CD GLN A 81 -0.869 -12.895 -3.470 1.00 0.00 C ATOM 1198 OE1 GLN A 81 0.123 -13.622 -3.404 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.167 -12.185 -4.552 1.00 0.00 N ATOM 0 H GLN A 81 -3.198 -12.231 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.419 -14.750 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.665 -14.621 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.800 -13.286 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.212 -11.752 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.269 -12.931 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.000 -11.596 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.563 -12.229 -5.373 1.00 0.00 H new ATOM 1208 N SER A 82 -2.890 -16.401 -0.137 1.00 0.00 N ATOM 1209 CA SER A 82 -2.022 -17.405 0.466 1.00 0.00 C ATOM 1210 C SER A 82 -1.693 -18.510 -0.532 1.00 0.00 C ATOM 1211 O SER A 82 -2.498 -19.411 -0.765 1.00 0.00 O ATOM 1212 CB SER A 82 -2.687 -18.005 1.708 1.00 0.00 C ATOM 1213 OG SER A 82 -3.735 -18.887 1.348 1.00 0.00 O ATOM 0 H SER A 82 -3.828 -16.734 -0.359 1.00 0.00 H new ATOM 0 HA SER A 82 -1.093 -16.917 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.944 -18.540 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.080 -17.206 2.336 1.00 0.00 H new ATOM 0 HG SER A 82 -3.683 -19.083 0.389 1.00 0.00 H new ATOM 1219 N LEU A 83 -0.502 -18.435 -1.119 1.00 0.00 N ATOM 1220 CA LEU A 83 -0.066 -19.429 -2.093 1.00 0.00 C ATOM 1221 C LEU A 83 0.797 -20.498 -1.430 1.00 0.00 C ATOM 1222 O LEU A 83 1.740 -20.184 -0.704 1.00 0.00 O ATOM 1223 CB LEU A 83 0.713 -18.758 -3.225 1.00 0.00 C ATOM 1224 CG LEU A 83 1.783 -17.762 -2.774 1.00 0.00 C ATOM 1225 CD1 LEU A 83 2.975 -17.794 -3.718 1.00 0.00 C ATOM 1226 CD2 LEU A 83 1.203 -16.358 -2.692 1.00 0.00 C ATOM 0 H LEU A 83 0.178 -17.696 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.953 -19.909 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.190 -19.532 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.007 -18.240 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 83 2.125 -18.051 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.725 -17.079 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.406 -18.795 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.649 -17.531 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.978 -15.662 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.833 -16.060 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.382 -16.345 -1.975 1.00 0.00 H new ATOM 1238 N HIS A 84 0.468 -21.760 -1.686 1.00 0.00 N ATOM 1239 CA HIS A 84 1.215 -22.874 -1.112 1.00 0.00 C ATOM 1240 C HIS A 84 2.539 -23.075 -1.843 1.00 0.00 C ATOM 1241 O HIS A 84 3.598 -23.156 -1.220 1.00 0.00 O ATOM 1242 CB HIS A 84 0.385 -24.158 -1.177 1.00 0.00 C ATOM 1243 CG HIS A 84 -0.820 -24.137 -0.290 1.00 0.00 C ATOM 1244 ND1 HIS A 84 -1.727 -23.097 -0.274 1.00 0.00 N ATOM 1245 CD2 HIS A 84 -1.268 -25.037 0.619 1.00 0.00 C ATOM 1246 CE1 HIS A 84 -2.679 -23.359 0.604 1.00 0.00 C ATOM 1247 NE2 HIS A 84 -2.424 -24.530 1.158 1.00 0.00 N ATOM 0 H HIS A 84 -0.309 -22.037 -2.286 1.00 0.00 H new ATOM 0 HA HIS A 84 1.428 -22.638 -0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.066 -24.323 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 84 1.015 -25.003 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.802 -25.978 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.522 -22.723 0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -2.994 -24.985 1.871 1.00 0.00 H new ATOM 1256 N SER A 85 2.472 -23.155 -3.168 1.00 0.00 N ATOM 1257 CA SER A 85 3.665 -23.345 -3.984 1.00 0.00 C ATOM 1258 C SER A 85 3.820 -22.212 -4.995 1.00 0.00 C ATOM 1259 O SER A 85 2.887 -21.445 -5.228 1.00 0.00 O ATOM 1260 CB SER A 85 3.600 -24.689 -4.714 1.00 0.00 C ATOM 1261 OG SER A 85 2.687 -24.639 -5.797 1.00 0.00 O ATOM 0 H SER A 85 1.604 -23.091 -3.699 1.00 0.00 H new ATOM 0 HA SER A 85 4.531 -23.339 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.591 -24.954 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.299 -25.471 -4.017 1.00 0.00 H new ATOM 0 HG SER A 85 2.666 -25.509 -6.247 1.00 0.00 H new ATOM 1267 N LEU A 86 5.003 -22.116 -5.591 1.00 0.00 N ATOM 1268 CA LEU A 86 5.281 -21.079 -6.577 1.00 0.00 C ATOM 1269 C LEU A 86 5.218 -21.644 -7.992 1.00 0.00 C ATOM 1270 O LEU A 86 6.087 -22.413 -8.404 1.00 0.00 O ATOM 1271 CB LEU A 86 6.655 -20.457 -6.321 1.00 0.00 C ATOM 1272 CG LEU A 86 6.632 -19.127 -5.566 1.00 0.00 C ATOM 1273 CD1 LEU A 86 6.030 -19.308 -4.182 1.00 0.00 C ATOM 1274 CD2 LEU A 86 8.034 -18.546 -5.468 1.00 0.00 C ATOM 0 H LEU A 86 5.785 -22.744 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 86 4.519 -20.306 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.259 -21.167 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.153 -20.305 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 86 6.008 -18.427 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.022 -18.351 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.009 -19.679 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.626 -20.024 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.999 -17.600 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.681 -19.244 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.429 -18.377 -6.470 1.00 0.00 H new ATOM 1286 N ARG A 87 4.184 -21.258 -8.734 1.00 0.00 N ATOM 1287 CA ARG A 87 4.008 -21.726 -10.104 1.00 0.00 C ATOM 1288 C ARG A 87 3.863 -23.244 -10.145 1.00 0.00 C ATOM 1289 CB ARG A 87 5.191 -21.292 -10.970 1.00 0.00 C ATOM 1290 CG ARG A 87 4.888 -21.291 -12.459 1.00 0.00 C ATOM 1291 CD ARG A 87 6.137 -21.018 -13.281 1.00 0.00 C ATOM 1292 NE ARG A 87 6.701 -19.700 -13.002 1.00 0.00 N ATOM 1293 CZ ARG A 87 7.674 -19.143 -13.719 1.00 0.00 C ATOM 1294 NH1 ARG A 87 8.192 -19.784 -14.758 1.00 0.00 N ATOM 1295 NH2 ARG A 87 8.128 -17.940 -13.396 1.00 0.00 N ATOM 0 H ARG A 87 3.456 -20.622 -8.409 1.00 0.00 H new ATOM 0 HA ARG A 87 3.095 -21.280 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.502 -20.291 -10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.033 -21.957 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.465 -22.254 -12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.135 -20.534 -12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.884 -21.783 -13.070 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.896 -21.092 -14.341 1.00 0.00 H new ATOM 0 HE ARG A 87 6.327 -19.176 -12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.845 -20.709 -15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.938 -19.352 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.732 -17.442 -12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.874 -17.512 -13.945 1.00 0.00 H new TER 1309 ARG A 87