USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0557 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.24) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.7!) USER MOD Single : A 35 HIS : no HE2:sc= 0.571 K(o=0.57,f=-1.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.46) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 65 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -41:sc= -0.289! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.348 8.198 -36.127 1.00 0.00 N ATOM 2 CA MET A 1 -24.461 9.099 -35.412 1.00 0.00 C ATOM 3 C MET A 1 -24.410 8.751 -33.923 1.00 0.00 C ATOM 4 O MET A 1 -25.193 7.931 -33.447 1.00 0.00 O ATOM 5 CB MET A 1 -24.949 10.539 -35.583 1.00 0.00 C ATOM 6 CG MET A 1 -23.770 11.509 -35.684 1.00 0.00 C ATOM 7 SD MET A 1 -24.270 12.989 -36.548 1.00 0.00 S ATOM 8 CE MET A 1 -23.142 12.937 -37.930 1.00 0.00 C ATOM 0 H1 MET A 1 -24.871 7.848 -36.982 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.594 7.395 -35.514 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.214 8.706 -36.397 1.00 0.00 H new ATOM 0 HA MET A 1 -23.458 8.994 -35.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.564 10.614 -36.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.581 10.815 -34.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.411 11.764 -34.687 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.941 11.034 -36.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.319 13.797 -38.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.116 12.964 -37.563 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.302 12.019 -38.496 1.00 0.00 H new ATOM 18 N GLU A 2 -23.480 9.391 -33.230 1.00 0.00 N ATOM 19 CA GLU A 2 -23.316 9.158 -31.805 1.00 0.00 C ATOM 20 C GLU A 2 -24.454 9.819 -31.025 1.00 0.00 C ATOM 21 O GLU A 2 -24.440 11.029 -30.804 1.00 0.00 O ATOM 22 CB GLU A 2 -21.955 9.662 -31.320 1.00 0.00 C ATOM 23 CG GLU A 2 -21.248 8.601 -30.473 1.00 0.00 C ATOM 24 CD GLU A 2 -19.770 8.948 -30.282 1.00 0.00 C ATOM 25 OE1 GLU A 2 -19.304 9.068 -29.139 1.00 0.00 O ATOM 26 OE2 GLU A 2 -19.099 9.093 -31.374 1.00 0.00 O ATOM 0 H GLU A 2 -22.832 10.071 -33.629 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.354 8.084 -31.626 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.333 9.923 -32.177 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.088 10.571 -30.734 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.735 8.522 -29.501 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.337 7.627 -30.954 1.00 0.00 H new ATOM 34 N VAL A 3 -25.414 8.996 -30.629 1.00 0.00 N ATOM 35 CA VAL A 3 -26.558 9.485 -29.879 1.00 0.00 C ATOM 36 C VAL A 3 -26.089 9.984 -28.511 1.00 0.00 C ATOM 37 O VAL A 3 -24.999 9.637 -28.059 1.00 0.00 O ATOM 38 CB VAL A 3 -27.627 8.394 -29.784 1.00 0.00 C ATOM 39 CG1 VAL A 3 -28.858 8.898 -29.028 1.00 0.00 C ATOM 40 CG2 VAL A 3 -28.009 7.878 -31.172 1.00 0.00 C ATOM 0 H VAL A 3 -25.423 7.993 -30.814 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.019 10.329 -30.392 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.206 7.560 -29.222 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.603 8.104 -28.974 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.570 9.194 -28.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.280 9.756 -29.551 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -28.770 7.104 -31.076 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -28.401 8.700 -31.770 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.128 7.462 -31.661 1.00 0.00 H new ATOM 50 N ALA A 4 -26.937 10.791 -27.889 1.00 0.00 N ATOM 51 CA ALA A 4 -26.623 11.341 -26.581 1.00 0.00 C ATOM 52 C ALA A 4 -26.727 10.236 -25.529 1.00 0.00 C ATOM 53 O ALA A 4 -27.771 9.600 -25.392 1.00 0.00 O ATOM 54 CB ALA A 4 -27.555 12.518 -26.285 1.00 0.00 C ATOM 0 H ALA A 4 -27.840 11.077 -28.266 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.601 11.721 -26.560 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -27.320 12.931 -25.304 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -27.421 13.288 -27.044 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.589 12.175 -26.295 1.00 0.00 H new ATOM 60 N MET A 5 -25.630 10.040 -24.812 1.00 0.00 N ATOM 61 CA MET A 5 -25.585 9.022 -23.776 1.00 0.00 C ATOM 62 C MET A 5 -26.272 9.509 -22.499 1.00 0.00 C ATOM 63 O MET A 5 -25.703 10.297 -21.745 1.00 0.00 O ATOM 64 CB MET A 5 -24.128 8.669 -23.470 1.00 0.00 C ATOM 65 CG MET A 5 -24.036 7.373 -22.662 1.00 0.00 C ATOM 66 SD MET A 5 -22.402 7.203 -21.965 1.00 0.00 S ATOM 67 CE MET A 5 -22.756 6.096 -20.610 1.00 0.00 C ATOM 0 H MET A 5 -24.766 10.569 -24.928 1.00 0.00 H new ATOM 0 HA MET A 5 -26.114 8.140 -24.136 1.00 0.00 H new ATOM 0 HB2 MET A 5 -23.573 8.561 -24.402 1.00 0.00 H new ATOM 0 HB3 MET A 5 -23.662 9.482 -22.914 1.00 0.00 H new ATOM 0 HG2 MET A 5 -24.781 7.377 -21.866 1.00 0.00 H new ATOM 0 HG3 MET A 5 -24.258 6.519 -23.302 1.00 0.00 H new ATOM 0 HE1 MET A 5 -21.837 5.884 -20.064 1.00 0.00 H new ATOM 0 HE2 MET A 5 -23.477 6.562 -19.939 1.00 0.00 H new ATOM 0 HE3 MET A 5 -23.170 5.166 -20.999 1.00 0.00 H new ATOM 77 N VAL A 6 -27.486 9.019 -22.294 1.00 0.00 N ATOM 78 CA VAL A 6 -28.257 9.395 -21.121 1.00 0.00 C ATOM 79 C VAL A 6 -28.375 8.189 -20.187 1.00 0.00 C ATOM 80 O VAL A 6 -28.170 7.051 -20.607 1.00 0.00 O ATOM 81 CB VAL A 6 -29.615 9.958 -21.545 1.00 0.00 C ATOM 82 CG1 VAL A 6 -30.233 10.799 -20.427 1.00 0.00 C ATOM 83 CG2 VAL A 6 -29.493 10.767 -22.837 1.00 0.00 C ATOM 0 H VAL A 6 -27.955 8.365 -22.921 1.00 0.00 H new ATOM 0 HA VAL A 6 -27.751 10.187 -20.569 1.00 0.00 H new ATOM 0 HB VAL A 6 -30.281 9.117 -21.738 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -31.197 11.187 -20.754 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -30.373 10.180 -19.541 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -29.570 11.630 -20.188 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -30.472 11.156 -23.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -28.803 11.597 -22.683 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -29.116 10.126 -23.634 1.00 0.00 H new ATOM 93 N SER A 7 -28.705 8.479 -18.937 1.00 0.00 N ATOM 94 CA SER A 7 -28.853 7.433 -17.939 1.00 0.00 C ATOM 95 C SER A 7 -30.156 6.667 -18.174 1.00 0.00 C ATOM 96 O SER A 7 -31.217 7.083 -17.712 1.00 0.00 O ATOM 97 CB SER A 7 -28.826 8.014 -16.524 1.00 0.00 C ATOM 98 OG SER A 7 -27.519 7.979 -15.957 1.00 0.00 O ATOM 0 H SER A 7 -28.874 9.424 -18.592 1.00 0.00 H new ATOM 0 HA SER A 7 -28.012 6.746 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 7 -29.183 9.044 -16.548 1.00 0.00 H new ATOM 0 HB3 SER A 7 -29.512 7.453 -15.889 1.00 0.00 H new ATOM 0 HG SER A 7 -27.544 8.360 -15.054 1.00 0.00 H new ATOM 104 N ALA A 8 -30.033 5.560 -18.893 1.00 0.00 N ATOM 105 CA ALA A 8 -31.188 4.732 -19.195 1.00 0.00 C ATOM 106 C ALA A 8 -31.584 3.942 -17.945 1.00 0.00 C ATOM 107 O ALA A 8 -31.143 2.809 -17.757 1.00 0.00 O ATOM 108 CB ALA A 8 -30.867 3.822 -20.382 1.00 0.00 C ATOM 0 H ALA A 8 -29.151 5.218 -19.275 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.040 5.350 -19.479 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -31.733 3.201 -20.609 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.620 4.431 -21.251 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -30.019 3.185 -20.133 1.00 0.00 H new ATOM 114 N GLU A 9 -32.412 4.571 -17.125 1.00 0.00 N ATOM 115 CA GLU A 9 -32.873 3.941 -15.899 1.00 0.00 C ATOM 116 C GLU A 9 -34.130 4.643 -15.382 1.00 0.00 C ATOM 117 O GLU A 9 -34.490 5.716 -15.864 1.00 0.00 O ATOM 118 CB GLU A 9 -31.771 3.937 -14.837 1.00 0.00 C ATOM 119 CG GLU A 9 -31.849 2.679 -13.971 1.00 0.00 C ATOM 120 CD GLU A 9 -31.797 3.033 -12.483 1.00 0.00 C ATOM 121 OE1 GLU A 9 -30.781 2.776 -11.820 1.00 0.00 O ATOM 122 OE2 GLU A 9 -32.861 3.595 -12.019 1.00 0.00 O ATOM 0 H GLU A 9 -32.776 5.510 -17.285 1.00 0.00 H new ATOM 0 HA GLU A 9 -33.124 2.903 -16.119 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -30.795 3.990 -15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -31.864 4.822 -14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -32.771 2.140 -14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -31.024 2.011 -14.219 1.00 0.00 H new ATOM 130 N SER A 10 -34.765 4.008 -14.407 1.00 0.00 N ATOM 131 CA SER A 10 -35.975 4.557 -13.820 1.00 0.00 C ATOM 132 C SER A 10 -35.626 5.739 -12.913 1.00 0.00 C ATOM 133 O SER A 10 -34.735 5.639 -12.072 1.00 0.00 O ATOM 134 CB SER A 10 -36.738 3.491 -13.031 1.00 0.00 C ATOM 135 OG SER A 10 -37.422 2.581 -13.888 1.00 0.00 O ATOM 0 H SER A 10 -34.464 3.118 -14.009 1.00 0.00 H new ATOM 0 HA SER A 10 -36.620 4.904 -14.628 1.00 0.00 H new ATOM 0 HB2 SER A 10 -36.042 2.940 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 10 -37.456 3.975 -12.369 1.00 0.00 H new ATOM 0 HG SER A 10 -37.895 1.915 -13.347 1.00 0.00 H new ATOM 141 N SER A 11 -36.347 6.832 -13.116 1.00 0.00 N ATOM 142 CA SER A 11 -36.125 8.033 -12.328 1.00 0.00 C ATOM 143 C SER A 11 -36.788 7.888 -10.957 1.00 0.00 C ATOM 144 O SER A 11 -37.994 7.666 -10.867 1.00 0.00 O ATOM 145 CB SER A 11 -36.660 9.272 -13.048 1.00 0.00 C ATOM 146 OG SER A 11 -36.521 10.450 -12.258 1.00 0.00 O ATOM 0 H SER A 11 -37.086 6.911 -13.815 1.00 0.00 H new ATOM 0 HA SER A 11 -35.051 8.160 -12.194 1.00 0.00 H new ATOM 0 HB2 SER A 11 -36.127 9.402 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 11 -37.711 9.123 -13.294 1.00 0.00 H new ATOM 0 HG SER A 11 -36.872 11.219 -12.753 1.00 0.00 H new ATOM 152 N GLY A 12 -35.970 8.020 -9.922 1.00 0.00 N ATOM 153 CA GLY A 12 -36.462 7.907 -8.560 1.00 0.00 C ATOM 154 C GLY A 12 -35.733 6.794 -7.804 1.00 0.00 C ATOM 155 O GLY A 12 -34.570 6.949 -7.434 1.00 0.00 O ATOM 0 H GLY A 12 -34.970 8.204 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -36.324 8.855 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -37.533 7.702 -8.572 1.00 0.00 H new ATOM 159 N CYS A 13 -36.447 5.697 -7.598 1.00 0.00 N ATOM 160 CA CYS A 13 -35.882 4.559 -6.893 1.00 0.00 C ATOM 161 C CYS A 13 -35.116 5.080 -5.675 1.00 0.00 C ATOM 162 O CYS A 13 -33.911 4.865 -5.556 1.00 0.00 O ATOM 163 CB CYS A 13 -34.993 3.712 -7.806 1.00 0.00 C ATOM 164 SG CYS A 13 -35.914 2.241 -8.386 1.00 0.00 S ATOM 0 H CYS A 13 -37.411 5.572 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 13 -36.684 3.899 -6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.664 4.305 -8.659 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -34.097 3.402 -7.269 1.00 0.00 H new ATOM 0 HG CYS A 13 -35.151 1.530 -9.162 1.00 0.00 H new ATOM 170 N ASN A 14 -35.848 5.756 -4.801 1.00 0.00 N ATOM 171 CA ASN A 14 -35.252 6.309 -3.596 1.00 0.00 C ATOM 172 C ASN A 14 -35.559 5.389 -2.412 1.00 0.00 C ATOM 173 O ASN A 14 -35.564 5.831 -1.264 1.00 0.00 O ATOM 174 CB ASN A 14 -35.828 7.691 -3.282 1.00 0.00 C ATOM 175 CG ASN A 14 -34.780 8.784 -3.501 1.00 0.00 C ATOM 176 OD1 ASN A 14 -34.670 9.371 -4.565 1.00 0.00 O ATOM 177 ND2 ASN A 14 -34.020 9.025 -2.437 1.00 0.00 N ATOM 0 H ASN A 14 -36.847 5.933 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 14 -34.178 6.394 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -36.694 7.881 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -36.176 7.718 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -33.292 9.738 -2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -34.165 8.497 -1.576 1.00 0.00 H new ATOM 184 N SER A 15 -35.806 4.128 -2.733 1.00 0.00 N ATOM 185 CA SER A 15 -36.112 3.142 -1.710 1.00 0.00 C ATOM 186 C SER A 15 -37.405 3.524 -0.986 1.00 0.00 C ATOM 187 O SER A 15 -37.366 4.113 0.093 1.00 0.00 O ATOM 188 CB SER A 15 -34.963 3.011 -0.709 1.00 0.00 C ATOM 189 OG SER A 15 -34.933 1.726 -0.095 1.00 0.00 O ATOM 0 H SER A 15 -35.801 3.766 -3.687 1.00 0.00 H new ATOM 0 HA SER A 15 -36.246 2.176 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 15 -34.016 3.191 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 15 -35.063 3.778 0.059 1.00 0.00 H new ATOM 0 HG SER A 15 -34.184 1.682 0.536 1.00 0.00 H new ATOM 195 N HIS A 16 -38.521 3.173 -1.609 1.00 0.00 N ATOM 196 CA HIS A 16 -39.823 3.471 -1.037 1.00 0.00 C ATOM 197 C HIS A 16 -40.282 2.299 -0.168 1.00 0.00 C ATOM 198 O HIS A 16 -41.457 1.935 -0.181 1.00 0.00 O ATOM 199 CB HIS A 16 -40.829 3.826 -2.134 1.00 0.00 C ATOM 200 CG HIS A 16 -40.766 2.921 -3.341 1.00 0.00 C ATOM 201 ND1 HIS A 16 -41.553 1.790 -3.472 1.00 0.00 N ATOM 202 CD2 HIS A 16 -40.004 2.993 -4.470 1.00 0.00 C ATOM 203 CE1 HIS A 16 -41.268 1.214 -4.631 1.00 0.00 C ATOM 204 NE2 HIS A 16 -40.307 1.961 -5.248 1.00 0.00 N ATOM 0 H HIS A 16 -38.550 2.685 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 16 -39.750 4.348 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -41.835 3.788 -1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -40.655 4.854 -2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -39.277 3.760 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -41.717 0.312 -5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -39.890 1.760 -6.157 1.00 0.00 H new ATOM 212 N MET A 17 -39.332 1.741 0.567 1.00 0.00 N ATOM 213 CA MET A 17 -39.624 0.618 1.441 1.00 0.00 C ATOM 214 C MET A 17 -40.964 0.812 2.154 1.00 0.00 C ATOM 215 O MET A 17 -41.468 1.930 2.241 1.00 0.00 O ATOM 216 CB MET A 17 -38.509 0.475 2.479 1.00 0.00 C ATOM 217 CG MET A 17 -37.321 -0.300 1.905 1.00 0.00 C ATOM 218 SD MET A 17 -37.624 -2.055 2.020 1.00 0.00 S ATOM 219 CE MET A 17 -36.220 -2.548 3.006 1.00 0.00 C ATOM 0 H MET A 17 -38.359 2.046 0.575 1.00 0.00 H new ATOM 0 HA MET A 17 -39.685 -0.285 0.833 1.00 0.00 H new ATOM 0 HB2 MET A 17 -38.181 1.462 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 17 -38.892 -0.040 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 17 -37.161 -0.018 0.864 1.00 0.00 H new ATOM 0 HG3 MET A 17 -36.412 -0.043 2.449 1.00 0.00 H new ATOM 0 HE1 MET A 17 -36.253 -3.624 3.174 1.00 0.00 H new ATOM 0 HE2 MET A 17 -35.299 -2.291 2.482 1.00 0.00 H new ATOM 0 HE3 MET A 17 -36.249 -2.030 3.965 1.00 0.00 H new ATOM 229 N PRO A 18 -41.516 -0.323 2.659 1.00 0.00 N ATOM 230 CA PRO A 18 -42.787 -0.289 3.362 1.00 0.00 C ATOM 231 C PRO A 18 -42.622 0.297 4.766 1.00 0.00 C ATOM 232 O PRO A 18 -41.609 0.928 5.064 1.00 0.00 O ATOM 233 CB PRO A 18 -43.270 -1.730 3.373 1.00 0.00 C ATOM 234 CG PRO A 18 -42.044 -2.583 3.091 1.00 0.00 C ATOM 235 CD PRO A 18 -40.947 -1.665 2.576 1.00 0.00 C ATOM 0 HA PRO A 18 -43.518 0.358 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -43.711 -1.987 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -44.039 -1.890 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -41.719 -3.096 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -42.275 -3.352 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -40.044 -1.750 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -40.670 -1.915 1.552 1.00 0.00 H new ATOM 243 N TYR A 19 -43.634 0.067 5.591 1.00 0.00 N ATOM 244 CA TYR A 19 -43.613 0.565 6.956 1.00 0.00 C ATOM 245 C TYR A 19 -42.701 -0.291 7.838 1.00 0.00 C ATOM 246 O TYR A 19 -42.648 -1.510 7.683 1.00 0.00 O ATOM 247 CB TYR A 19 -45.051 0.451 7.468 1.00 0.00 C ATOM 248 CG TYR A 19 -46.112 0.815 6.428 1.00 0.00 C ATOM 249 CD1 TYR A 19 -46.417 2.140 6.188 1.00 0.00 C ATOM 250 CD2 TYR A 19 -46.765 -0.180 5.730 1.00 0.00 C ATOM 251 CE1 TYR A 19 -47.416 2.483 5.209 1.00 0.00 C ATOM 252 CE2 TYR A 19 -47.764 0.163 4.751 1.00 0.00 C ATOM 253 CZ TYR A 19 -48.040 1.478 4.539 1.00 0.00 C ATOM 254 OH TYR A 19 -48.983 1.802 3.615 1.00 0.00 O ATOM 0 H TYR A 19 -44.473 -0.457 5.340 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.238 1.588 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -45.225 -0.570 7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.170 1.100 8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -45.906 2.919 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -46.527 -1.217 5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -47.664 3.515 5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -48.282 -0.606 4.198 1.00 0.00 H new ATOM 0 HH TYR A 19 -49.344 0.983 3.215 1.00 0.00 H new ATOM 264 N GLY A 20 -42.006 0.381 8.743 1.00 0.00 N ATOM 265 CA GLY A 20 -41.099 -0.302 9.649 1.00 0.00 C ATOM 266 C GLY A 20 -39.729 0.379 9.670 1.00 0.00 C ATOM 267 O GLY A 20 -38.850 -0.012 10.437 1.00 0.00 O ATOM 0 H GLY A 20 -42.053 1.392 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.521 -0.310 10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.987 -1.342 9.342 1.00 0.00 H new ATOM 271 N TYR A 21 -39.590 1.385 8.820 1.00 0.00 N ATOM 272 CA TYR A 21 -38.342 2.123 8.731 1.00 0.00 C ATOM 273 C TYR A 21 -38.150 3.023 9.954 1.00 0.00 C ATOM 274 O TYR A 21 -37.025 3.393 10.286 1.00 0.00 O ATOM 275 CB TYR A 21 -38.458 2.999 7.482 1.00 0.00 C ATOM 276 CG TYR A 21 -37.151 3.142 6.699 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.523 2.022 6.192 1.00 0.00 C ATOM 278 CD2 TYR A 21 -36.599 4.391 6.500 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.293 2.157 5.456 1.00 0.00 C ATOM 280 CE2 TYR A 21 -35.369 4.526 5.764 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.777 3.403 5.278 1.00 0.00 C ATOM 282 OH TYR A 21 -33.615 3.530 4.583 1.00 0.00 O ATOM 0 H TYR A 21 -40.322 1.707 8.186 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.494 1.440 8.685 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -39.219 2.578 6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.804 3.990 7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -36.955 1.044 6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.090 5.268 6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -34.791 1.289 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -34.927 5.498 5.602 1.00 0.00 H new ATOM 0 HH TYR A 21 -33.365 4.476 4.533 1.00 0.00 H new ATOM 292 N ALA A 22 -39.265 3.350 10.589 1.00 0.00 N ATOM 293 CA ALA A 22 -39.233 4.200 11.768 1.00 0.00 C ATOM 294 C ALA A 22 -38.559 3.447 12.916 1.00 0.00 C ATOM 295 O ALA A 22 -37.979 4.061 13.810 1.00 0.00 O ATOM 296 CB ALA A 22 -40.656 4.643 12.116 1.00 0.00 C ATOM 0 H ALA A 22 -40.197 3.042 10.310 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.649 5.100 11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.633 5.280 13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.079 5.199 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.271 3.766 12.317 1.00 0.00 H new ATOM 302 N ALA A 23 -38.659 2.127 12.855 1.00 0.00 N ATOM 303 CA ALA A 23 -38.066 1.283 13.879 1.00 0.00 C ATOM 304 C ALA A 23 -36.618 0.968 13.498 1.00 0.00 C ATOM 305 O ALA A 23 -35.906 0.301 14.248 1.00 0.00 O ATOM 306 CB ALA A 23 -38.912 0.020 14.053 1.00 0.00 C ATOM 0 H ALA A 23 -39.142 1.621 12.112 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.049 1.798 14.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.467 -0.613 14.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.923 0.297 14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.949 -0.526 13.110 1.00 0.00 H new ATOM 312 N GLN A 24 -36.225 1.462 12.333 1.00 0.00 N ATOM 313 CA GLN A 24 -34.875 1.241 11.844 1.00 0.00 C ATOM 314 C GLN A 24 -33.947 2.358 12.325 1.00 0.00 C ATOM 315 O GLN A 24 -32.749 2.337 12.047 1.00 0.00 O ATOM 316 CB GLN A 24 -34.856 1.131 10.318 1.00 0.00 C ATOM 317 CG GLN A 24 -34.590 -0.309 9.875 1.00 0.00 C ATOM 318 CD GLN A 24 -35.658 -1.257 10.423 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.867 -1.373 11.619 1.00 0.00 O ATOM 320 NE2 GLN A 24 -36.320 -1.927 9.484 1.00 0.00 N ATOM 0 H GLN A 24 -36.818 2.014 11.714 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.513 0.296 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.810 1.469 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.087 1.788 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -34.576 -0.362 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.606 -0.624 10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -36.095 -1.782 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -37.053 -2.585 9.748 1.00 0.00 H new ATOM 329 N ALA A 25 -34.535 3.306 13.039 1.00 0.00 N ATOM 330 CA ALA A 25 -33.776 4.429 13.562 1.00 0.00 C ATOM 331 C ALA A 25 -32.687 3.910 14.502 1.00 0.00 C ATOM 332 O ALA A 25 -31.706 4.604 14.767 1.00 0.00 O ATOM 333 CB ALA A 25 -34.725 5.410 14.253 1.00 0.00 C ATOM 0 H ALA A 25 -35.529 3.320 13.268 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.283 4.968 12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.155 6.252 14.645 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.460 5.772 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.237 4.905 15.072 1.00 0.00 H new ATOM 339 N ARG A 26 -32.896 2.693 14.983 1.00 0.00 N ATOM 340 CA ARG A 26 -31.945 2.072 15.889 1.00 0.00 C ATOM 341 C ARG A 26 -30.679 1.665 15.132 1.00 0.00 C ATOM 342 O ARG A 26 -29.586 1.666 15.697 1.00 0.00 O ATOM 343 CB ARG A 26 -32.549 0.837 16.560 1.00 0.00 C ATOM 344 CG ARG A 26 -32.110 0.738 18.023 1.00 0.00 C ATOM 345 CD ARG A 26 -30.967 -0.266 18.185 1.00 0.00 C ATOM 346 NE ARG A 26 -30.734 -0.540 19.621 1.00 0.00 N ATOM 347 CZ ARG A 26 -29.726 -1.304 20.091 1.00 0.00 C ATOM 348 NH1 ARG A 26 -28.847 -1.879 19.242 1.00 0.00 N ATOM 349 NH2 ARG A 26 -29.612 -1.482 21.395 1.00 0.00 N ATOM 0 H ARG A 26 -33.711 2.120 14.762 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.694 2.803 16.658 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.637 0.884 16.505 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.242 -0.060 16.023 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.791 1.718 18.378 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.955 0.435 18.641 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -31.209 -1.192 17.664 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -30.059 0.128 17.729 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.375 -0.125 20.297 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -28.942 -1.737 18.236 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -28.088 -2.455 19.606 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -30.280 -1.045 22.030 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -28.856 -2.057 21.767 1.00 0.00 H new ATOM 362 N ALA A 27 -30.869 1.325 13.865 1.00 0.00 N ATOM 363 CA ALA A 27 -29.756 0.917 13.025 1.00 0.00 C ATOM 364 C ALA A 27 -28.870 2.130 12.734 1.00 0.00 C ATOM 365 O ALA A 27 -27.660 1.992 12.564 1.00 0.00 O ATOM 366 CB ALA A 27 -30.292 0.266 11.748 1.00 0.00 C ATOM 0 H ALA A 27 -31.777 1.324 13.400 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.141 0.176 13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.457 -0.040 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.890 -0.608 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.912 0.981 11.207 1.00 0.00 H new ATOM 372 N ARG A 28 -29.507 3.290 12.686 1.00 0.00 N ATOM 373 CA ARG A 28 -28.792 4.526 12.419 1.00 0.00 C ATOM 374 C ARG A 28 -27.761 4.791 13.518 1.00 0.00 C ATOM 375 O ARG A 28 -26.716 5.388 13.262 1.00 0.00 O ATOM 376 CB ARG A 28 -29.755 5.713 12.336 1.00 0.00 C ATOM 377 CG ARG A 28 -29.259 6.751 11.328 1.00 0.00 C ATOM 378 CD ARG A 28 -30.400 7.227 10.426 1.00 0.00 C ATOM 379 NE ARG A 28 -29.850 7.831 9.191 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.604 8.237 8.148 1.00 0.00 C ATOM 381 NH1 ARG A 28 -31.947 8.107 8.180 1.00 0.00 N ATOM 382 NH2 ARG A 28 -30.007 8.764 7.094 1.00 0.00 N ATOM 0 H ARG A 28 -30.511 3.400 12.828 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.286 4.415 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.745 5.363 12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.855 6.174 13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.830 7.602 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.464 6.321 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.049 6.388 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.013 7.956 10.955 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.839 7.947 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.401 7.699 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.508 8.417 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -28.992 8.859 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.561 9.076 6.297 1.00 0.00 H new ATOM 395 N GLU A 29 -28.090 4.334 14.717 1.00 0.00 N ATOM 396 CA GLU A 29 -27.205 4.513 15.855 1.00 0.00 C ATOM 397 C GLU A 29 -26.102 3.453 15.842 1.00 0.00 C ATOM 398 O GLU A 29 -25.024 3.667 16.395 1.00 0.00 O ATOM 399 CB GLU A 29 -27.987 4.475 17.169 1.00 0.00 C ATOM 400 CG GLU A 29 -27.195 5.139 18.298 1.00 0.00 C ATOM 401 CD GLU A 29 -26.580 4.089 19.226 1.00 0.00 C ATOM 402 OE1 GLU A 29 -25.437 3.661 19.007 1.00 0.00 O ATOM 403 OE2 GLU A 29 -27.333 3.719 20.206 1.00 0.00 O ATOM 0 H GLU A 29 -28.958 3.840 14.925 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.739 5.495 15.777 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.943 4.984 17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -28.209 3.441 17.435 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.407 5.763 17.876 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.851 5.796 18.870 1.00 0.00 H new ATOM 411 N ARG A 30 -26.410 2.333 15.206 1.00 0.00 N ATOM 412 CA ARG A 30 -25.458 1.238 15.114 1.00 0.00 C ATOM 413 C ARG A 30 -24.597 1.387 13.858 1.00 0.00 C ATOM 414 O ARG A 30 -23.451 0.943 13.831 1.00 0.00 O ATOM 415 CB ARG A 30 -26.174 -0.113 15.076 1.00 0.00 C ATOM 416 CG ARG A 30 -26.255 -0.731 16.474 1.00 0.00 C ATOM 417 CD ARG A 30 -25.153 -1.773 16.676 1.00 0.00 C ATOM 418 NE ARG A 30 -23.832 -1.109 16.732 1.00 0.00 N ATOM 419 CZ ARG A 30 -22.660 -1.734 16.489 1.00 0.00 C ATOM 420 NH1 ARG A 30 -22.636 -3.046 16.172 1.00 0.00 N ATOM 421 NH2 ARG A 30 -21.538 -1.043 16.567 1.00 0.00 N ATOM 0 H ARG A 30 -27.305 2.159 14.749 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.824 1.275 16.000 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.178 0.015 14.672 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.645 -0.790 14.405 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.164 0.051 17.227 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.231 -1.196 16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.330 -2.327 17.598 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.171 -2.496 15.861 1.00 0.00 H new ATOM 0 HE ARG A 30 -23.805 -0.117 16.969 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -23.508 -3.573 16.115 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -21.746 -3.510 15.990 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.565 -0.052 16.808 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.644 -1.500 16.386 1.00 0.00 H new ATOM 434 N GLU A 31 -25.184 2.014 12.849 1.00 0.00 N ATOM 435 CA GLU A 31 -24.485 2.227 11.593 1.00 0.00 C ATOM 436 C GLU A 31 -23.359 3.246 11.778 1.00 0.00 C ATOM 437 O GLU A 31 -22.429 3.303 10.974 1.00 0.00 O ATOM 438 CB GLU A 31 -25.453 2.674 10.496 1.00 0.00 C ATOM 439 CG GLU A 31 -25.980 1.473 9.707 1.00 0.00 C ATOM 440 CD GLU A 31 -27.315 1.801 9.035 1.00 0.00 C ATOM 441 OE1 GLU A 31 -28.311 2.054 9.727 1.00 0.00 O ATOM 442 OE2 GLU A 31 -27.294 1.788 7.745 1.00 0.00 O ATOM 0 H GLU A 31 -26.135 2.381 12.876 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.044 1.280 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.288 3.216 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.949 3.365 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.251 1.181 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.105 0.621 10.375 1.00 0.00 H new ATOM 450 N ARG A 32 -23.479 4.026 12.842 1.00 0.00 N ATOM 451 CA ARG A 32 -22.483 5.040 13.144 1.00 0.00 C ATOM 452 C ARG A 32 -21.115 4.391 13.366 1.00 0.00 C ATOM 453 O ARG A 32 -20.083 5.003 13.096 1.00 0.00 O ATOM 454 CB ARG A 32 -22.869 5.839 14.390 1.00 0.00 C ATOM 455 CG ARG A 32 -22.249 7.237 14.359 1.00 0.00 C ATOM 456 CD ARG A 32 -23.267 8.298 14.782 1.00 0.00 C ATOM 457 NE ARG A 32 -23.925 8.873 13.587 1.00 0.00 N ATOM 458 CZ ARG A 32 -25.123 9.495 13.608 1.00 0.00 C ATOM 459 NH1 ARG A 32 -25.805 9.629 14.765 1.00 0.00 N ATOM 460 NH2 ARG A 32 -25.616 9.972 12.481 1.00 0.00 N ATOM 0 H ARG A 32 -24.251 3.976 13.506 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.433 5.719 12.293 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.954 5.920 14.453 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.537 5.310 15.283 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.386 7.271 15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.887 7.456 13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.014 7.855 15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.770 9.086 15.348 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.443 8.794 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.416 9.259 15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -26.710 10.100 14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -25.093 9.868 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -26.520 10.445 12.479 1.00 0.00 H new ATOM 473 N LEU A 33 -21.152 3.160 13.855 1.00 0.00 N ATOM 474 CA LEU A 33 -19.929 2.422 14.117 1.00 0.00 C ATOM 475 C LEU A 33 -19.530 1.644 12.861 1.00 0.00 C ATOM 476 O LEU A 33 -18.406 1.153 12.762 1.00 0.00 O ATOM 477 CB LEU A 33 -20.088 1.544 15.360 1.00 0.00 C ATOM 478 CG LEU A 33 -19.030 1.726 16.450 1.00 0.00 C ATOM 479 CD1 LEU A 33 -17.642 1.340 15.936 1.00 0.00 C ATOM 480 CD2 LEU A 33 -19.059 3.149 17.010 1.00 0.00 C ATOM 0 H LEU A 33 -22.010 2.655 14.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.111 3.107 14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.068 1.740 15.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.082 0.500 15.046 1.00 0.00 H new ATOM 0 HG LEU A 33 -19.267 1.052 17.273 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.908 1.479 16.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.647 0.295 15.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.380 1.971 15.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.297 3.251 17.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.860 3.860 16.208 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -20.040 3.351 17.439 1.00 0.00 H new ATOM 492 N ALA A 34 -20.472 1.555 11.935 1.00 0.00 N ATOM 493 CA ALA A 34 -20.233 0.845 10.690 1.00 0.00 C ATOM 494 C ALA A 34 -19.494 1.765 9.716 1.00 0.00 C ATOM 495 O ALA A 34 -19.264 1.400 8.565 1.00 0.00 O ATOM 496 CB ALA A 34 -21.563 0.345 10.123 1.00 0.00 C ATOM 0 H ALA A 34 -21.403 1.963 12.021 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.603 -0.028 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.383 -0.187 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.034 -0.328 10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.221 1.194 9.936 1.00 0.00 H new ATOM 502 N HIS A 35 -19.143 2.941 10.215 1.00 0.00 N ATOM 503 CA HIS A 35 -18.434 3.917 9.404 1.00 0.00 C ATOM 504 C HIS A 35 -16.926 3.713 9.556 1.00 0.00 C ATOM 505 O HIS A 35 -16.140 4.274 8.795 1.00 0.00 O ATOM 506 CB HIS A 35 -18.878 5.339 9.754 1.00 0.00 C ATOM 507 CG HIS A 35 -20.074 5.820 8.966 1.00 0.00 C ATOM 508 ND1 HIS A 35 -21.375 5.487 9.300 1.00 0.00 N ATOM 509 CD2 HIS A 35 -20.151 6.613 7.859 1.00 0.00 C ATOM 510 CE1 HIS A 35 -22.190 6.058 8.425 1.00 0.00 C ATOM 511 NE2 HIS A 35 -21.430 6.755 7.533 1.00 0.00 N ATOM 0 H HIS A 35 -19.336 3.240 11.171 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.681 3.769 8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.114 5.384 10.817 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.045 6.021 9.584 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -21.658 4.902 10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -19.314 7.051 7.336 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -23.267 5.984 8.419 1.00 0.00 H new ATOM 519 N SER A 36 -16.567 2.907 10.545 1.00 0.00 N ATOM 520 CA SER A 36 -15.167 2.621 10.807 1.00 0.00 C ATOM 521 C SER A 36 -14.725 1.393 10.008 1.00 0.00 C ATOM 522 O SER A 36 -13.532 1.189 9.786 1.00 0.00 O ATOM 523 CB SER A 36 -14.920 2.400 12.300 1.00 0.00 C ATOM 524 OG SER A 36 -13.815 3.164 12.778 1.00 0.00 O ATOM 0 H SER A 36 -17.222 2.443 11.174 1.00 0.00 H new ATOM 0 HA SER A 36 -14.578 3.482 10.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.816 2.669 12.859 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.736 1.342 12.484 1.00 0.00 H new ATOM 0 HG SER A 36 -13.691 2.996 13.736 1.00 0.00 H new ATOM 530 N ARG A 37 -15.710 0.608 9.599 1.00 0.00 N ATOM 531 CA ARG A 37 -15.438 -0.595 8.830 1.00 0.00 C ATOM 532 C ARG A 37 -15.435 -0.278 7.333 1.00 0.00 C ATOM 533 O ARG A 37 -15.443 -1.186 6.503 1.00 0.00 O ATOM 534 CB ARG A 37 -16.480 -1.678 9.113 1.00 0.00 C ATOM 535 CG ARG A 37 -15.820 -3.051 9.255 1.00 0.00 C ATOM 536 CD ARG A 37 -16.784 -4.061 9.879 1.00 0.00 C ATOM 537 NE ARG A 37 -17.101 -5.128 8.903 1.00 0.00 N ATOM 538 CZ ARG A 37 -17.543 -6.358 9.242 1.00 0.00 C ATOM 539 NH1 ARG A 37 -17.725 -6.687 10.539 1.00 0.00 N ATOM 540 NH2 ARG A 37 -17.795 -7.233 8.287 1.00 0.00 N ATOM 0 H ARG A 37 -16.698 0.781 9.785 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.457 -0.965 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.023 -1.435 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.211 -1.704 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.498 -3.407 8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.926 -2.967 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.339 -4.496 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.699 -3.558 10.190 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.978 -4.921 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.528 -6.004 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.059 -7.618 10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.655 -6.976 7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.129 -8.167 8.526 1.00 0.00 H new ATOM 553 N ALA A 38 -15.426 1.012 7.033 1.00 0.00 N ATOM 554 CA ALA A 38 -15.423 1.460 5.651 1.00 0.00 C ATOM 555 C ALA A 38 -14.185 0.906 4.943 1.00 0.00 C ATOM 556 O ALA A 38 -14.294 0.299 3.878 1.00 0.00 O ATOM 557 CB ALA A 38 -15.483 2.988 5.609 1.00 0.00 C ATOM 0 H ALA A 38 -15.421 1.762 7.724 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.300 1.085 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.481 3.324 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.395 3.330 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.617 3.400 6.126 1.00 0.00 H new ATOM 563 N ALA A 39 -13.036 1.134 5.562 1.00 0.00 N ATOM 564 CA ALA A 39 -11.779 0.665 5.005 1.00 0.00 C ATOM 565 C ALA A 39 -11.506 -0.758 5.498 1.00 0.00 C ATOM 566 O ALA A 39 -10.666 -0.965 6.372 1.00 0.00 O ATOM 567 CB ALA A 39 -10.659 1.637 5.381 1.00 0.00 C ATOM 0 H ALA A 39 -12.949 1.638 6.445 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.831 0.632 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.716 1.285 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.886 2.626 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.576 1.694 6.466 1.00 0.00 H new ATOM 573 N ALA A 40 -12.232 -1.701 4.916 1.00 0.00 N ATOM 574 CA ALA A 40 -12.079 -3.098 5.285 1.00 0.00 C ATOM 575 C ALA A 40 -10.965 -3.724 4.444 1.00 0.00 C ATOM 576 O ALA A 40 -9.940 -4.144 4.979 1.00 0.00 O ATOM 577 CB ALA A 40 -13.416 -3.821 5.113 1.00 0.00 C ATOM 0 H ALA A 40 -12.928 -1.525 4.191 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.792 -3.189 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.301 -4.869 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.166 -3.357 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.735 -3.753 4.073 1.00 0.00 H new ATOM 583 N ALA A 41 -11.204 -3.768 3.142 1.00 0.00 N ATOM 584 CA ALA A 41 -10.234 -4.336 2.221 1.00 0.00 C ATOM 585 C ALA A 41 -9.874 -5.752 2.676 1.00 0.00 C ATOM 586 O ALA A 41 -8.701 -6.064 2.875 1.00 0.00 O ATOM 587 CB ALA A 41 -9.010 -3.421 2.140 1.00 0.00 C ATOM 0 H ALA A 41 -12.056 -3.419 2.702 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.654 -4.408 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.282 -3.847 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.315 -2.437 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.560 -3.327 3.128 1.00 0.00 H new ATOM 593 N ALA A 42 -10.905 -6.570 2.828 1.00 0.00 N ATOM 594 CA ALA A 42 -10.712 -7.945 3.256 1.00 0.00 C ATOM 595 C ALA A 42 -10.692 -8.859 2.029 1.00 0.00 C ATOM 596 O ALA A 42 -9.708 -9.555 1.785 1.00 0.00 O ATOM 597 CB ALA A 42 -11.809 -8.329 4.251 1.00 0.00 C ATOM 0 H ALA A 42 -11.877 -6.307 2.662 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.755 -8.057 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.664 -9.361 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.762 -7.669 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.784 -8.231 3.773 1.00 0.00 H new ATOM 603 N ALA A 43 -11.791 -8.826 1.289 1.00 0.00 N ATOM 604 CA ALA A 43 -11.912 -9.642 0.093 1.00 0.00 C ATOM 605 C ALA A 43 -10.649 -9.487 -0.756 1.00 0.00 C ATOM 606 O ALA A 43 -10.318 -10.366 -1.550 1.00 0.00 O ATOM 607 CB ALA A 43 -13.178 -9.247 -0.669 1.00 0.00 C ATOM 0 H ALA A 43 -12.605 -8.247 1.495 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.005 -10.696 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.269 -9.859 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.049 -9.404 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.120 -8.196 -0.951 1.00 0.00 H new ATOM 613 N VAL A 44 -9.977 -8.362 -0.559 1.00 0.00 N ATOM 614 CA VAL A 44 -8.757 -8.080 -1.296 1.00 0.00 C ATOM 615 C VAL A 44 -7.549 -8.481 -0.448 1.00 0.00 C ATOM 616 O VAL A 44 -6.515 -8.880 -0.983 1.00 0.00 O ATOM 617 CB VAL A 44 -8.729 -6.609 -1.718 1.00 0.00 C ATOM 618 CG1 VAL A 44 -7.347 -5.997 -1.481 1.00 0.00 C ATOM 619 CG2 VAL A 44 -9.156 -6.450 -3.179 1.00 0.00 C ATOM 0 H VAL A 44 -10.254 -7.635 0.101 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.720 -8.669 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.445 -6.069 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.354 -4.951 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.097 -6.061 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.603 -6.542 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.128 -5.396 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.476 -7.011 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.170 -6.831 -3.305 1.00 0.00 H new ATOM 629 N ALA A 45 -7.719 -8.363 0.861 1.00 0.00 N ATOM 630 CA ALA A 45 -6.656 -8.709 1.788 1.00 0.00 C ATOM 631 C ALA A 45 -5.957 -9.982 1.305 1.00 0.00 C ATOM 632 O ALA A 45 -4.737 -10.004 1.150 1.00 0.00 O ATOM 633 CB ALA A 45 -7.235 -8.861 3.196 1.00 0.00 C ATOM 0 H ALA A 45 -8.578 -8.032 1.301 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.908 -7.917 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.437 -9.121 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.693 -7.921 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.988 -9.649 3.197 1.00 0.00 H new ATOM 639 N ALA A 46 -6.761 -11.011 1.081 1.00 0.00 N ATOM 640 CA ALA A 46 -6.235 -12.284 0.619 1.00 0.00 C ATOM 641 C ALA A 46 -5.655 -12.111 -0.786 1.00 0.00 C ATOM 642 O ALA A 46 -4.496 -12.445 -1.029 1.00 0.00 O ATOM 643 CB ALA A 46 -7.341 -13.341 0.667 1.00 0.00 C ATOM 0 H ALA A 46 -7.772 -10.989 1.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.429 -12.625 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.947 -14.296 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.699 -13.446 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.166 -13.034 0.024 1.00 0.00 H new ATOM 649 N ALA A 47 -6.487 -11.589 -1.676 1.00 0.00 N ATOM 650 CA ALA A 47 -6.070 -11.368 -3.050 1.00 0.00 C ATOM 651 C ALA A 47 -4.953 -10.324 -3.078 1.00 0.00 C ATOM 652 O ALA A 47 -4.446 -9.924 -2.031 1.00 0.00 O ATOM 653 CB ALA A 47 -7.280 -10.950 -3.889 1.00 0.00 C ATOM 0 H ALA A 47 -7.448 -11.313 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.673 -12.286 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.968 -10.784 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.033 -11.738 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.702 -10.030 -3.485 1.00 0.00 H new ATOM 659 N THR A 48 -4.601 -9.912 -4.287 1.00 0.00 N ATOM 660 CA THR A 48 -3.553 -8.922 -4.466 1.00 0.00 C ATOM 661 C THR A 48 -2.264 -9.381 -3.780 1.00 0.00 C ATOM 662 O THR A 48 -1.790 -8.736 -2.846 1.00 0.00 O ATOM 663 CB THR A 48 -4.074 -7.582 -3.944 1.00 0.00 C ATOM 664 OG1 THR A 48 -5.130 -7.247 -4.840 1.00 0.00 O ATOM 665 CG2 THR A 48 -3.061 -6.449 -4.123 1.00 0.00 C ATOM 0 H THR A 48 -5.024 -10.246 -5.153 1.00 0.00 H new ATOM 0 HA THR A 48 -3.299 -8.801 -5.519 1.00 0.00 H new ATOM 0 HB THR A 48 -4.328 -7.679 -2.888 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.526 -6.391 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.481 -5.521 -3.736 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.147 -6.688 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.832 -6.330 -5.182 1.00 0.00 H new ATOM 673 N ALA A 49 -1.733 -10.491 -4.271 1.00 0.00 N ATOM 674 CA ALA A 49 -0.509 -11.043 -3.718 1.00 0.00 C ATOM 675 C ALA A 49 0.533 -9.931 -3.585 1.00 0.00 C ATOM 676 O ALA A 49 0.494 -8.948 -4.323 1.00 0.00 O ATOM 677 CB ALA A 49 -0.023 -12.194 -4.601 1.00 0.00 C ATOM 0 H ALA A 49 -2.129 -11.023 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.687 -11.449 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.896 -12.608 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.787 -12.971 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.169 -11.824 -5.608 1.00 0.00 H new ATOM 683 N ALA A 50 1.440 -10.123 -2.638 1.00 0.00 N ATOM 684 CA ALA A 50 2.490 -9.149 -2.399 1.00 0.00 C ATOM 685 C ALA A 50 3.653 -9.412 -3.358 1.00 0.00 C ATOM 686 O ALA A 50 4.805 -9.492 -2.935 1.00 0.00 O ATOM 687 CB ALA A 50 2.920 -9.210 -0.932 1.00 0.00 C ATOM 0 H ALA A 50 1.469 -10.939 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 50 2.126 -8.139 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.708 -8.479 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.066 -8.986 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.293 -10.208 -0.703 1.00 0.00 H new ATOM 693 N VAL A 51 3.311 -9.540 -4.631 1.00 0.00 N ATOM 694 CA VAL A 51 4.311 -9.793 -5.654 1.00 0.00 C ATOM 695 C VAL A 51 4.020 -8.918 -6.875 1.00 0.00 C ATOM 696 O VAL A 51 3.904 -9.422 -7.991 1.00 0.00 O ATOM 697 CB VAL A 51 4.355 -11.286 -5.985 1.00 0.00 C ATOM 698 CG1 VAL A 51 5.474 -11.594 -6.983 1.00 0.00 C ATOM 699 CG2 VAL A 51 4.508 -12.125 -4.715 1.00 0.00 C ATOM 0 H VAL A 51 2.354 -9.473 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 51 5.303 -9.525 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 51 3.407 -11.553 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.483 -12.662 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.303 -11.037 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.433 -11.303 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.537 -13.182 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.434 -11.852 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.663 -11.939 -4.052 1.00 0.00 H new ATOM 709 N GLU A 52 3.909 -7.622 -6.621 1.00 0.00 N ATOM 710 CA GLU A 52 3.634 -6.673 -7.686 1.00 0.00 C ATOM 711 C GLU A 52 4.853 -5.783 -7.933 1.00 0.00 C ATOM 712 O GLU A 52 5.736 -5.683 -7.082 1.00 0.00 O ATOM 713 CB GLU A 52 2.397 -5.831 -7.363 1.00 0.00 C ATOM 714 CG GLU A 52 1.556 -5.588 -8.618 1.00 0.00 C ATOM 715 CD GLU A 52 0.797 -6.853 -9.023 1.00 0.00 C ATOM 716 OE1 GLU A 52 0.127 -7.470 -8.182 1.00 0.00 O ATOM 717 OE2 GLU A 52 0.921 -7.190 -10.262 1.00 0.00 O ATOM 0 H GLU A 52 4.004 -7.208 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 52 3.426 -7.231 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.794 -6.338 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.704 -4.876 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.849 -4.778 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.201 -5.269 -9.436 1.00 0.00 H new ATOM 725 N GLY A 53 4.864 -5.158 -9.101 1.00 0.00 N ATOM 726 CA GLY A 53 5.961 -4.280 -9.471 1.00 0.00 C ATOM 727 C GLY A 53 6.039 -4.109 -10.989 1.00 0.00 C ATOM 728 O GLY A 53 5.923 -2.995 -11.498 1.00 0.00 O ATOM 0 H GLY A 53 4.130 -5.242 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.828 -3.307 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.900 -4.689 -9.099 1.00 0.00 H new ATOM 732 N THR A 54 6.235 -5.229 -11.669 1.00 0.00 N ATOM 733 CA THR A 54 6.329 -5.216 -13.119 1.00 0.00 C ATOM 734 C THR A 54 7.514 -4.359 -13.569 1.00 0.00 C ATOM 735 O THR A 54 7.823 -3.345 -12.946 1.00 0.00 O ATOM 736 CB THR A 54 4.987 -4.738 -13.677 1.00 0.00 C ATOM 737 OG1 THR A 54 4.091 -5.809 -13.392 1.00 0.00 O ATOM 738 CG2 THR A 54 4.986 -4.648 -15.204 1.00 0.00 C ATOM 0 H THR A 54 6.331 -6.151 -11.243 1.00 0.00 H new ATOM 0 HA THR A 54 6.523 -6.214 -13.511 1.00 0.00 H new ATOM 0 HB THR A 54 4.746 -3.762 -13.256 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.195 -5.582 -13.719 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.010 -4.304 -15.548 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.753 -3.945 -15.528 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.194 -5.631 -15.627 1.00 0.00 H new ATOM 746 N GLY A 55 8.145 -4.799 -14.648 1.00 0.00 N ATOM 747 CA GLY A 55 9.289 -4.085 -15.189 1.00 0.00 C ATOM 748 C GLY A 55 9.178 -3.941 -16.708 1.00 0.00 C ATOM 749 O GLY A 55 8.204 -4.392 -17.308 1.00 0.00 O ATOM 0 H GLY A 55 7.886 -5.641 -15.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.356 -3.098 -14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.206 -4.617 -14.937 1.00 0.00 H new ATOM 753 N GLY A 56 10.190 -3.310 -17.286 1.00 0.00 N ATOM 754 CA GLY A 56 10.218 -3.102 -18.724 1.00 0.00 C ATOM 755 C GLY A 56 11.613 -3.373 -19.290 1.00 0.00 C ATOM 756 O GLY A 56 12.193 -4.429 -19.042 1.00 0.00 O ATOM 0 H GLY A 56 10.996 -2.936 -16.785 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.493 -3.759 -19.204 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.921 -2.078 -18.953 1.00 0.00 H new ATOM 760 N SER A 57 12.111 -2.402 -20.041 1.00 0.00 N ATOM 761 CA SER A 57 13.427 -2.524 -20.645 1.00 0.00 C ATOM 762 C SER A 57 13.453 -3.711 -21.609 1.00 0.00 C ATOM 763 O SER A 57 12.838 -4.743 -21.345 1.00 0.00 O ATOM 764 CB SER A 57 14.511 -2.684 -19.577 1.00 0.00 C ATOM 765 OG SER A 57 14.636 -1.520 -18.765 1.00 0.00 O ATOM 0 H SER A 57 11.627 -1.528 -20.245 1.00 0.00 H new ATOM 0 HA SER A 57 13.634 -1.609 -21.200 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.276 -3.542 -18.947 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.466 -2.895 -20.058 1.00 0.00 H new ATOM 0 HG SER A 57 15.337 -1.662 -18.095 1.00 0.00 H new ATOM 771 N GLY A 58 14.171 -3.526 -22.707 1.00 0.00 N ATOM 772 CA GLY A 58 14.286 -4.569 -23.712 1.00 0.00 C ATOM 773 C GLY A 58 14.829 -4.007 -25.027 1.00 0.00 C ATOM 774 O GLY A 58 14.944 -2.793 -25.187 1.00 0.00 O ATOM 0 H GLY A 58 14.679 -2.668 -22.923 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.946 -5.357 -23.349 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.310 -5.024 -23.882 1.00 0.00 H new ATOM 778 N GLY A 59 15.148 -4.917 -25.936 1.00 0.00 N ATOM 779 CA GLY A 59 15.677 -4.527 -27.232 1.00 0.00 C ATOM 780 C GLY A 59 15.885 -5.748 -28.129 1.00 0.00 C ATOM 781 O GLY A 59 15.310 -6.808 -27.884 1.00 0.00 O ATOM 0 H GLY A 59 15.050 -5.923 -25.801 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.991 -3.830 -27.714 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.624 -4.003 -27.100 1.00 0.00 H new ATOM 785 N GLY A 60 16.708 -5.560 -29.150 1.00 0.00 N ATOM 786 CA GLY A 60 16.999 -6.633 -30.085 1.00 0.00 C ATOM 787 C GLY A 60 18.439 -6.540 -30.596 1.00 0.00 C ATOM 788 O GLY A 60 19.059 -5.480 -30.524 1.00 0.00 O ATOM 0 H GLY A 60 17.183 -4.680 -29.350 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.843 -7.596 -29.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.307 -6.585 -30.926 1.00 0.00 H new ATOM 792 N PRO A 61 18.941 -7.693 -31.114 1.00 0.00 N ATOM 793 CA PRO A 61 20.295 -7.751 -31.636 1.00 0.00 C ATOM 794 C PRO A 61 20.388 -7.059 -32.998 1.00 0.00 C ATOM 795 O PRO A 61 20.232 -7.700 -34.036 1.00 0.00 O ATOM 796 CB PRO A 61 20.629 -9.233 -31.699 1.00 0.00 C ATOM 797 CG PRO A 61 19.297 -9.963 -31.652 1.00 0.00 C ATOM 798 CD PRO A 61 18.235 -8.967 -31.215 1.00 0.00 C ATOM 0 HA PRO A 61 21.011 -7.221 -31.008 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.173 -9.472 -32.613 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.265 -9.526 -30.863 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.053 -10.376 -32.631 1.00 0.00 H new ATOM 0 HG3 PRO A 61 19.345 -10.800 -30.956 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.421 -8.913 -31.938 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.794 -9.252 -30.260 1.00 0.00 H new ATOM 806 N HIS A 62 20.641 -5.760 -32.949 1.00 0.00 N ATOM 807 CA HIS A 62 20.756 -4.974 -34.166 1.00 0.00 C ATOM 808 C HIS A 62 21.484 -3.662 -33.863 1.00 0.00 C ATOM 809 O HIS A 62 21.010 -2.856 -33.063 1.00 0.00 O ATOM 810 CB HIS A 62 19.383 -4.756 -34.804 1.00 0.00 C ATOM 811 CG HIS A 62 19.323 -3.578 -35.746 1.00 0.00 C ATOM 812 ND1 HIS A 62 20.287 -3.340 -36.711 1.00 0.00 N ATOM 813 CD2 HIS A 62 18.407 -2.575 -35.862 1.00 0.00 C ATOM 814 CE1 HIS A 62 19.955 -2.240 -37.371 1.00 0.00 C ATOM 815 NE2 HIS A 62 18.790 -1.767 -36.843 1.00 0.00 N ATOM 0 H HIS A 62 20.770 -5.232 -32.086 1.00 0.00 H new ATOM 0 HA HIS A 62 21.351 -5.518 -34.900 1.00 0.00 H new ATOM 0 HB2 HIS A 62 19.099 -5.657 -35.347 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.645 -4.614 -34.014 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.520 -2.458 -35.258 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.510 -1.796 -38.184 1.00 0.00 H new ATOM 0 HE2 HIS A 62 18.295 -0.930 -37.151 1.00 0.00 H new ATOM 823 N HIS A 63 22.622 -3.490 -34.517 1.00 0.00 N ATOM 824 CA HIS A 63 23.420 -2.290 -34.328 1.00 0.00 C ATOM 825 C HIS A 63 24.521 -2.233 -35.388 1.00 0.00 C ATOM 826 O HIS A 63 24.552 -1.317 -36.208 1.00 0.00 O ATOM 827 CB HIS A 63 23.966 -2.220 -32.901 1.00 0.00 C ATOM 828 CG HIS A 63 24.229 -0.816 -32.411 1.00 0.00 C ATOM 829 ND1 HIS A 63 25.492 -0.251 -32.396 1.00 0.00 N ATOM 830 CD2 HIS A 63 23.378 0.130 -31.920 1.00 0.00 C ATOM 831 CE1 HIS A 63 25.394 0.980 -31.915 1.00 0.00 C ATOM 832 NE2 HIS A 63 24.083 1.214 -31.620 1.00 0.00 N ATOM 0 H HIS A 63 23.011 -4.161 -35.179 1.00 0.00 H new ATOM 0 HA HIS A 63 22.793 -1.408 -34.459 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.257 -2.702 -32.228 1.00 0.00 H new ATOM 0 HB3 HIS A 63 24.893 -2.791 -32.849 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.311 0.016 -31.796 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.209 1.676 -31.780 1.00 0.00 H new ATOM 0 HE2 HIS A 63 23.706 2.079 -31.233 1.00 0.00 H new ATOM 840 N HIS A 64 25.399 -3.224 -35.337 1.00 0.00 N ATOM 841 CA HIS A 64 26.500 -3.299 -36.283 1.00 0.00 C ATOM 842 C HIS A 64 26.182 -4.340 -37.359 1.00 0.00 C ATOM 843 O HIS A 64 25.319 -5.194 -37.166 1.00 0.00 O ATOM 844 CB HIS A 64 27.819 -3.578 -35.560 1.00 0.00 C ATOM 845 CG HIS A 64 28.185 -5.041 -35.492 1.00 0.00 C ATOM 846 ND1 HIS A 64 27.281 -6.024 -35.131 1.00 0.00 N ATOM 847 CD2 HIS A 64 29.365 -5.677 -35.744 1.00 0.00 C ATOM 848 CE1 HIS A 64 27.900 -7.195 -35.166 1.00 0.00 C ATOM 849 NE2 HIS A 64 29.192 -6.978 -35.546 1.00 0.00 N ATOM 0 H HIS A 64 25.370 -3.982 -34.655 1.00 0.00 H new ATOM 0 HA HIS A 64 26.622 -2.337 -36.782 1.00 0.00 H new ATOM 0 HB2 HIS A 64 28.619 -3.037 -36.065 1.00 0.00 H new ATOM 0 HB3 HIS A 64 27.756 -3.182 -34.546 1.00 0.00 H new ATOM 0 HD2 HIS A 64 30.285 -5.202 -36.053 1.00 0.00 H new ATOM 0 HE1 HIS A 64 27.459 -8.153 -34.934 1.00 0.00 H new ATOM 0 HE2 HIS A 64 29.907 -7.697 -35.659 1.00 0.00 H new ATOM 857 N HIS A 65 26.897 -4.233 -38.469 1.00 0.00 N ATOM 858 CA HIS A 65 26.703 -5.154 -39.576 1.00 0.00 C ATOM 859 C HIS A 65 27.286 -4.550 -40.855 1.00 0.00 C ATOM 860 O HIS A 65 26.568 -3.925 -41.634 1.00 0.00 O ATOM 861 CB HIS A 65 25.226 -5.529 -39.717 1.00 0.00 C ATOM 862 CG HIS A 65 24.872 -6.869 -39.117 1.00 0.00 C ATOM 863 ND1 HIS A 65 23.709 -7.085 -38.400 1.00 0.00 N ATOM 864 CD2 HIS A 65 25.540 -8.058 -39.135 1.00 0.00 C ATOM 865 CE1 HIS A 65 23.688 -8.351 -38.008 1.00 0.00 C ATOM 866 NE2 HIS A 65 24.824 -8.952 -38.465 1.00 0.00 N ATOM 0 H HIS A 65 27.612 -3.522 -38.626 1.00 0.00 H new ATOM 0 HA HIS A 65 27.237 -6.083 -39.379 1.00 0.00 H new ATOM 0 HB2 HIS A 65 24.619 -4.758 -39.242 1.00 0.00 H new ATOM 0 HB3 HIS A 65 24.963 -5.535 -40.775 1.00 0.00 H new ATOM 0 HD2 HIS A 65 26.491 -8.241 -39.614 1.00 0.00 H new ATOM 0 HE1 HIS A 65 22.909 -8.824 -37.429 1.00 0.00 H new ATOM 0 HE2 HIS A 65 25.081 -9.928 -38.316 1.00 0.00 H new ATOM 874 N GLN A 66 28.583 -4.757 -41.031 1.00 0.00 N ATOM 875 CA GLN A 66 29.271 -4.241 -42.202 1.00 0.00 C ATOM 876 C GLN A 66 30.571 -5.013 -42.437 1.00 0.00 C ATOM 877 O GLN A 66 30.914 -5.907 -41.665 1.00 0.00 O ATOM 878 CB GLN A 66 29.542 -2.742 -42.062 1.00 0.00 C ATOM 879 CG GLN A 66 29.425 -2.035 -43.414 1.00 0.00 C ATOM 880 CD GLN A 66 28.222 -1.089 -43.436 1.00 0.00 C ATOM 881 OE1 GLN A 66 28.312 0.079 -43.095 1.00 0.00 O ATOM 882 NE2 GLN A 66 27.095 -1.658 -43.854 1.00 0.00 N ATOM 0 H GLN A 66 29.175 -5.275 -40.382 1.00 0.00 H new ATOM 0 HA GLN A 66 28.626 -4.381 -43.069 1.00 0.00 H new ATOM 0 HB2 GLN A 66 28.835 -2.305 -41.357 1.00 0.00 H new ATOM 0 HB3 GLN A 66 30.539 -2.586 -41.651 1.00 0.00 H new ATOM 0 HG2 GLN A 66 30.337 -1.474 -43.615 1.00 0.00 H new ATOM 0 HG3 GLN A 66 29.325 -2.775 -44.208 1.00 0.00 H new ATOM 0 HE21 GLN A 66 27.090 -2.641 -44.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 26.236 -1.111 -43.904 1.00 0.00 H new ATOM 891 N THR A 67 31.258 -4.640 -43.506 1.00 0.00 N ATOM 892 CA THR A 67 32.513 -5.286 -43.853 1.00 0.00 C ATOM 893 C THR A 67 33.363 -4.365 -44.730 1.00 0.00 C ATOM 894 O THR A 67 32.856 -3.394 -45.290 1.00 0.00 O ATOM 895 CB THR A 67 32.187 -6.626 -44.515 1.00 0.00 C ATOM 896 OG1 THR A 67 31.225 -7.218 -43.646 1.00 0.00 O ATOM 897 CG2 THR A 67 33.368 -7.598 -44.482 1.00 0.00 C ATOM 0 H THR A 67 30.970 -3.898 -44.144 1.00 0.00 H new ATOM 0 HA THR A 67 33.115 -5.483 -42.966 1.00 0.00 H new ATOM 0 HB THR A 67 31.886 -6.456 -45.549 1.00 0.00 H new ATOM 0 HG1 THR A 67 31.485 -7.060 -42.714 1.00 0.00 H new ATOM 0 HG21 THR A 67 33.083 -8.533 -44.965 1.00 0.00 H new ATOM 0 HG22 THR A 67 34.215 -7.160 -45.011 1.00 0.00 H new ATOM 0 HG23 THR A 67 33.649 -7.795 -43.447 1.00 0.00 H new ATOM 905 N ARG A 68 34.641 -4.702 -44.822 1.00 0.00 N ATOM 906 CA ARG A 68 35.566 -3.917 -45.622 1.00 0.00 C ATOM 907 C ARG A 68 36.977 -4.501 -45.526 1.00 0.00 C ATOM 908 O ARG A 68 37.587 -4.489 -44.458 1.00 0.00 O ATOM 909 CB ARG A 68 35.592 -2.459 -45.161 1.00 0.00 C ATOM 910 CG ARG A 68 35.880 -1.518 -46.333 1.00 0.00 C ATOM 911 CD ARG A 68 35.733 -0.055 -45.911 1.00 0.00 C ATOM 912 NE ARG A 68 36.263 0.833 -46.969 1.00 0.00 N ATOM 913 CZ ARG A 68 36.453 2.161 -46.818 1.00 0.00 C ATOM 914 NH1 ARG A 68 36.156 2.767 -45.649 1.00 0.00 N ATOM 915 NH2 ARG A 68 36.932 2.858 -47.831 1.00 0.00 N ATOM 0 H ARG A 68 35.058 -5.508 -44.356 1.00 0.00 H new ATOM 0 HA ARG A 68 35.224 -3.953 -46.656 1.00 0.00 H new ATOM 0 HB2 ARG A 68 34.635 -2.200 -44.709 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.353 -2.331 -44.391 1.00 0.00 H new ATOM 0 HG2 ARG A 68 36.890 -1.693 -46.705 1.00 0.00 H new ATOM 0 HG3 ARG A 68 35.196 -1.734 -47.154 1.00 0.00 H new ATOM 0 HD2 ARG A 68 34.684 0.174 -45.724 1.00 0.00 H new ATOM 0 HD3 ARG A 68 36.268 0.118 -44.977 1.00 0.00 H new ATOM 0 HE ARG A 68 36.500 0.416 -47.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 35.785 2.221 -44.871 1.00 0.00 H new ATOM 0 HH12 ARG A 68 36.303 3.771 -45.543 1.00 0.00 H new ATOM 0 HH21 ARG A 68 37.153 2.392 -48.711 1.00 0.00 H new ATOM 0 HH22 ARG A 68 37.082 3.862 -47.734 1.00 0.00 H new ATOM 928 N GLY A 69 37.455 -4.999 -46.658 1.00 0.00 N ATOM 929 CA GLY A 69 38.783 -5.586 -46.715 1.00 0.00 C ATOM 930 C GLY A 69 39.849 -4.510 -46.932 1.00 0.00 C ATOM 931 O GLY A 69 40.002 -3.608 -46.110 1.00 0.00 O ATOM 0 H GLY A 69 36.946 -5.008 -47.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 38.987 -6.124 -45.789 1.00 0.00 H new ATOM 0 HA3 GLY A 69 38.828 -6.316 -47.524 1.00 0.00 H new ATOM 935 N ALA A 70 40.558 -4.641 -48.044 1.00 0.00 N ATOM 936 CA ALA A 70 41.605 -3.691 -48.380 1.00 0.00 C ATOM 937 C ALA A 70 42.101 -3.967 -49.800 1.00 0.00 C ATOM 938 O ALA A 70 42.228 -5.122 -50.204 1.00 0.00 O ATOM 939 CB ALA A 70 42.727 -3.780 -47.343 1.00 0.00 C ATOM 0 H ALA A 70 40.428 -5.390 -48.724 1.00 0.00 H new ATOM 0 HA ALA A 70 41.220 -2.671 -48.357 1.00 0.00 H new ATOM 0 HB1 ALA A 70 43.513 -3.068 -47.595 1.00 0.00 H new ATOM 0 HB2 ALA A 70 42.329 -3.547 -46.355 1.00 0.00 H new ATOM 0 HB3 ALA A 70 43.140 -4.789 -47.339 1.00 0.00 H new ATOM 945 N TYR A 71 42.368 -2.887 -50.520 1.00 0.00 N ATOM 946 CA TYR A 71 42.847 -2.998 -51.887 1.00 0.00 C ATOM 947 C TYR A 71 44.293 -3.497 -51.922 1.00 0.00 C ATOM 948 O TYR A 71 44.991 -3.460 -50.911 1.00 0.00 O ATOM 949 CB TYR A 71 42.794 -1.584 -52.469 1.00 0.00 C ATOM 950 CG TYR A 71 42.711 -1.542 -53.996 1.00 0.00 C ATOM 951 CD1 TYR A 71 41.742 -2.271 -54.655 1.00 0.00 C ATOM 952 CD2 TYR A 71 43.606 -0.775 -54.715 1.00 0.00 C ATOM 953 CE1 TYR A 71 41.664 -2.231 -56.092 1.00 0.00 C ATOM 954 CE2 TYR A 71 43.528 -0.736 -56.152 1.00 0.00 C ATOM 955 CZ TYR A 71 42.560 -1.466 -56.770 1.00 0.00 C ATOM 956 OH TYR A 71 42.487 -1.428 -58.127 1.00 0.00 O ATOM 0 H TYR A 71 42.262 -1.931 -50.182 1.00 0.00 H new ATOM 0 HA TYR A 71 42.238 -3.705 -52.451 1.00 0.00 H new ATOM 0 HB2 TYR A 71 41.931 -1.064 -52.054 1.00 0.00 H new ATOM 0 HB3 TYR A 71 43.681 -1.037 -52.148 1.00 0.00 H new ATOM 0 HD1 TYR A 71 41.042 -2.871 -54.093 1.00 0.00 H new ATOM 0 HD2 TYR A 71 44.364 -0.204 -54.200 1.00 0.00 H new ATOM 0 HE1 TYR A 71 40.910 -2.796 -56.620 1.00 0.00 H new ATOM 0 HE2 TYR A 71 44.222 -0.141 -56.727 1.00 0.00 H new ATOM 0 HH TYR A 71 43.189 -0.840 -58.476 1.00 0.00 H new ATOM 966 N SER A 72 44.699 -3.954 -53.098 1.00 0.00 N ATOM 967 CA SER A 72 46.049 -4.460 -53.279 1.00 0.00 C ATOM 968 C SER A 72 46.789 -3.619 -54.321 1.00 0.00 C ATOM 969 O SER A 72 46.186 -3.146 -55.283 1.00 0.00 O ATOM 970 CB SER A 72 46.034 -5.931 -53.698 1.00 0.00 C ATOM 971 OG SER A 72 45.201 -6.719 -52.852 1.00 0.00 O ATOM 0 H SER A 72 44.116 -3.984 -53.935 1.00 0.00 H new ATOM 0 HA SER A 72 46.572 -4.387 -52.325 1.00 0.00 H new ATOM 0 HB2 SER A 72 45.684 -6.011 -54.727 1.00 0.00 H new ATOM 0 HB3 SER A 72 47.050 -6.325 -53.675 1.00 0.00 H new ATOM 0 HG SER A 72 45.217 -7.651 -53.154 1.00 0.00 H new ATOM 977 N SER A 73 48.084 -3.457 -54.094 1.00 0.00 N ATOM 978 CA SER A 73 48.912 -2.681 -55.001 1.00 0.00 C ATOM 979 C SER A 73 48.423 -1.232 -55.046 1.00 0.00 C ATOM 980 O SER A 73 47.357 -0.950 -55.592 1.00 0.00 O ATOM 981 CB SER A 73 48.907 -3.287 -56.406 1.00 0.00 C ATOM 982 OG SER A 73 49.177 -4.686 -56.385 1.00 0.00 O ATOM 0 H SER A 73 48.580 -3.850 -53.294 1.00 0.00 H new ATOM 0 HA SER A 73 49.937 -2.700 -54.630 1.00 0.00 H new ATOM 0 HB2 SER A 73 47.938 -3.112 -56.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 49.653 -2.783 -57.021 1.00 0.00 H new ATOM 0 HG SER A 73 49.163 -5.036 -57.300 1.00 0.00 H new ATOM 988 N HIS A 74 49.225 -0.352 -54.465 1.00 0.00 N ATOM 989 CA HIS A 74 48.887 1.060 -54.432 1.00 0.00 C ATOM 990 C HIS A 74 49.642 1.795 -55.541 1.00 0.00 C ATOM 991 O HIS A 74 50.826 1.544 -55.762 1.00 0.00 O ATOM 992 CB HIS A 74 49.150 1.650 -53.045 1.00 0.00 C ATOM 993 CG HIS A 74 47.949 2.325 -52.426 1.00 0.00 C ATOM 994 ND1 HIS A 74 47.239 3.326 -53.066 1.00 0.00 N ATOM 995 CD2 HIS A 74 47.340 2.131 -51.221 1.00 0.00 C ATOM 996 CE1 HIS A 74 46.251 3.711 -52.272 1.00 0.00 C ATOM 997 NE2 HIS A 74 46.315 2.969 -51.129 1.00 0.00 N ATOM 0 H HIS A 74 50.108 -0.590 -54.013 1.00 0.00 H new ATOM 0 HA HIS A 74 47.821 1.186 -54.621 1.00 0.00 H new ATOM 0 HB2 HIS A 74 49.489 0.854 -52.381 1.00 0.00 H new ATOM 0 HB3 HIS A 74 49.963 2.373 -53.117 1.00 0.00 H new ATOM 0 HD2 HIS A 74 47.641 1.416 -50.469 1.00 0.00 H new ATOM 0 HE1 HIS A 74 45.523 4.478 -52.491 1.00 0.00 H new ATOM 0 HE2 HIS A 74 45.680 3.046 -50.335 1.00 0.00 H new ATOM 1005 N ASP A 75 48.927 2.688 -56.210 1.00 0.00 N ATOM 1006 CA ASP A 75 49.515 3.460 -57.291 1.00 0.00 C ATOM 1007 C ASP A 75 50.896 3.960 -56.862 1.00 0.00 C ATOM 1008 O ASP A 75 51.768 4.183 -57.701 1.00 0.00 O ATOM 1009 CB ASP A 75 48.655 4.680 -57.627 1.00 0.00 C ATOM 1010 CG ASP A 75 47.676 4.481 -58.786 1.00 0.00 C ATOM 1011 OD1 ASP A 75 47.014 3.437 -58.891 1.00 0.00 O ATOM 1012 OD2 ASP A 75 47.606 5.466 -59.616 1.00 0.00 O ATOM 0 H ASP A 75 47.945 2.894 -56.024 1.00 0.00 H new ATOM 0 HA ASP A 75 49.585 2.815 -58.167 1.00 0.00 H new ATOM 0 HB2 ASP A 75 48.090 4.964 -56.739 1.00 0.00 H new ATOM 0 HB3 ASP A 75 49.313 5.515 -57.866 1.00 0.00 H new TER 1018 ASP A 75