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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 177:sc= 0 (180deg=-0.00164) 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 23:sc= 1.42 USER MOD Single : A 16 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.11) 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= -0.0137 X(o=-0.014,f=-0.047) USER MOD Single : A 35 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.2) USER MOD Single : A 36 SER OG : rot -69:sc= 0.649 USER MOD Single : A 48 THR OG1 : rot 44:sc= -0.246 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 :FLIP no HD1:sc= -1.78 F(o=-3.2!,f=-1.8) USER MOD Single : A 63 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-1.6!) USER MOD Single : A 64 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-2.6!) USER MOD Single : A 65 HIS : no HD1:sc= -4.08 K(o=-4.1,f=-5) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.169 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= -0.072 X(o=-0.072,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.250 2.604 -4.989 1.00 0.00 N ATOM 2 CA MET A 1 -19.790 3.172 -6.213 1.00 0.00 C ATOM 3 C MET A 1 -21.097 2.480 -6.608 1.00 0.00 C ATOM 4 O MET A 1 -21.084 1.496 -7.345 1.00 0.00 O ATOM 5 CB MET A 1 -18.769 3.017 -7.342 1.00 0.00 C ATOM 6 CG MET A 1 -18.122 4.360 -7.684 1.00 0.00 C ATOM 7 SD MET A 1 -16.348 4.181 -7.762 1.00 0.00 S ATOM 8 CE MET A 1 -15.898 4.854 -6.171 1.00 0.00 C ATOM 0 H1 MET A 1 -18.364 3.090 -4.742 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.937 2.724 -4.218 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.062 1.591 -5.130 1.00 0.00 H new ATOM 0 HA MET A 1 -19.997 4.228 -6.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.000 2.304 -7.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.259 2.609 -8.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.501 4.723 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.388 5.103 -6.932 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.815 4.818 -6.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.236 5.888 -6.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.368 4.267 -5.382 1.00 0.00 H new ATOM 18 N GLU A 2 -22.194 3.024 -6.100 1.00 0.00 N ATOM 19 CA GLU A 2 -23.506 2.471 -6.391 1.00 0.00 C ATOM 20 C GLU A 2 -24.034 3.026 -7.715 1.00 0.00 C ATOM 21 O GLU A 2 -24.887 3.911 -7.726 1.00 0.00 O ATOM 22 CB GLU A 2 -24.485 2.754 -5.249 1.00 0.00 C ATOM 23 CG GLU A 2 -25.794 1.989 -5.447 1.00 0.00 C ATOM 24 CD GLU A 2 -25.754 0.638 -4.728 1.00 0.00 C ATOM 25 OE1 GLU A 2 -25.959 0.580 -3.507 1.00 0.00 O ATOM 26 OE2 GLU A 2 -25.500 -0.375 -5.485 1.00 0.00 O ATOM 0 H GLU A 2 -22.201 3.841 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.410 1.389 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.033 2.469 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.689 3.823 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -26.627 2.582 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -25.971 1.834 -6.511 1.00 0.00 H new ATOM 34 N VAL A 3 -23.503 2.481 -8.801 1.00 0.00 N ATOM 35 CA VAL A 3 -23.910 2.910 -10.128 1.00 0.00 C ATOM 36 C VAL A 3 -25.296 2.341 -10.441 1.00 0.00 C ATOM 37 O VAL A 3 -25.722 1.363 -9.828 1.00 0.00 O ATOM 38 CB VAL A 3 -22.852 2.506 -11.156 1.00 0.00 C ATOM 39 CG1 VAL A 3 -23.172 3.093 -12.533 1.00 0.00 C ATOM 40 CG2 VAL A 3 -21.453 2.921 -10.695 1.00 0.00 C ATOM 0 H VAL A 3 -22.795 1.747 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.987 3.996 -10.171 1.00 0.00 H new ATOM 0 HB VAL A 3 -22.868 1.420 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.404 2.790 -13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.142 2.727 -12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -23.198 4.181 -12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.720 2.622 -11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -21.419 4.003 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -21.223 2.434 -9.747 1.00 0.00 H new ATOM 50 N ALA A 4 -25.960 2.976 -11.395 1.00 0.00 N ATOM 51 CA ALA A 4 -27.288 2.545 -11.797 1.00 0.00 C ATOM 52 C ALA A 4 -27.213 1.116 -12.340 1.00 0.00 C ATOM 53 O ALA A 4 -26.462 0.842 -13.275 1.00 0.00 O ATOM 54 CB ALA A 4 -27.856 3.529 -12.822 1.00 0.00 C ATOM 0 H ALA A 4 -25.603 3.786 -11.902 1.00 0.00 H new ATOM 0 HA ALA A 4 -27.964 2.538 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -28.852 3.206 -13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -27.916 4.523 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.205 3.561 -13.696 1.00 0.00 H new ATOM 60 N MET A 5 -28.002 0.244 -11.730 1.00 0.00 N ATOM 61 CA MET A 5 -28.035 -1.150 -12.141 1.00 0.00 C ATOM 62 C MET A 5 -28.489 -1.282 -13.596 1.00 0.00 C ATOM 63 O MET A 5 -29.216 -0.430 -14.103 1.00 0.00 O ATOM 64 CB MET A 5 -28.992 -1.927 -11.234 1.00 0.00 C ATOM 65 CG MET A 5 -30.394 -1.317 -11.266 1.00 0.00 C ATOM 66 SD MET A 5 -30.762 -0.548 -9.698 1.00 0.00 S ATOM 67 CE MET A 5 -31.296 1.060 -10.258 1.00 0.00 C ATOM 0 H MET A 5 -28.623 0.475 -10.955 1.00 0.00 H new ATOM 0 HA MET A 5 -27.028 -1.559 -12.056 1.00 0.00 H new ATOM 0 HB2 MET A 5 -29.037 -2.968 -11.554 1.00 0.00 H new ATOM 0 HB3 MET A 5 -28.613 -1.924 -10.212 1.00 0.00 H new ATOM 0 HG2 MET A 5 -30.460 -0.580 -12.066 1.00 0.00 H new ATOM 0 HG3 MET A 5 -31.131 -2.090 -11.483 1.00 0.00 H new ATOM 0 HE1 MET A 5 -31.616 1.655 -9.403 1.00 0.00 H new ATOM 0 HE2 MET A 5 -30.470 1.563 -10.761 1.00 0.00 H new ATOM 0 HE3 MET A 5 -32.128 0.946 -10.952 1.00 0.00 H new ATOM 77 N VAL A 6 -28.041 -2.358 -14.226 1.00 0.00 N ATOM 78 CA VAL A 6 -28.392 -2.613 -15.613 1.00 0.00 C ATOM 79 C VAL A 6 -29.915 -2.598 -15.760 1.00 0.00 C ATOM 80 O VAL A 6 -30.639 -2.660 -14.767 1.00 0.00 O ATOM 81 CB VAL A 6 -27.759 -3.925 -16.081 1.00 0.00 C ATOM 82 CG1 VAL A 6 -27.869 -4.076 -17.599 1.00 0.00 C ATOM 83 CG2 VAL A 6 -26.302 -4.024 -15.624 1.00 0.00 C ATOM 0 H VAL A 6 -27.438 -3.063 -13.802 1.00 0.00 H new ATOM 0 HA VAL A 6 -27.995 -1.829 -16.258 1.00 0.00 H new ATOM 0 HB VAL A 6 -28.311 -4.746 -15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -27.411 -5.017 -17.905 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -28.919 -4.072 -17.890 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -27.355 -3.247 -18.085 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -25.875 -4.966 -15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -25.733 -3.193 -16.041 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -26.259 -3.984 -14.536 1.00 0.00 H new ATOM 93 N SER A 7 -30.357 -2.517 -17.006 1.00 0.00 N ATOM 94 CA SER A 7 -31.780 -2.493 -17.296 1.00 0.00 C ATOM 95 C SER A 7 -32.417 -1.240 -16.692 1.00 0.00 C ATOM 96 O SER A 7 -31.874 -0.653 -15.757 1.00 0.00 O ATOM 97 CB SER A 7 -32.472 -3.750 -16.762 1.00 0.00 C ATOM 98 OG SER A 7 -33.818 -3.852 -17.217 1.00 0.00 O ATOM 0 H SER A 7 -29.754 -2.467 -17.827 1.00 0.00 H new ATOM 0 HA SER A 7 -31.908 -2.472 -18.378 1.00 0.00 H new ATOM 0 HB2 SER A 7 -31.915 -4.632 -17.077 1.00 0.00 H new ATOM 0 HB3 SER A 7 -32.458 -3.737 -15.672 1.00 0.00 H new ATOM 0 HG SER A 7 -34.224 -4.668 -16.856 1.00 0.00 H new ATOM 104 N ALA A 8 -33.559 -0.868 -17.250 1.00 0.00 N ATOM 105 CA ALA A 8 -34.276 0.305 -16.777 1.00 0.00 C ATOM 106 C ALA A 8 -35.140 -0.081 -15.575 1.00 0.00 C ATOM 107 O ALA A 8 -36.363 0.041 -15.621 1.00 0.00 O ATOM 108 CB ALA A 8 -35.100 0.895 -17.923 1.00 0.00 C ATOM 0 H ALA A 8 -34.006 -1.358 -18.025 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.578 1.075 -16.447 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -35.638 1.775 -17.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -34.436 1.180 -18.739 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -35.814 0.152 -18.278 1.00 0.00 H new ATOM 114 N GLU A 9 -34.470 -0.537 -14.527 1.00 0.00 N ATOM 115 CA GLU A 9 -35.161 -0.941 -13.315 1.00 0.00 C ATOM 116 C GLU A 9 -35.832 0.268 -12.658 1.00 0.00 C ATOM 117 O GLU A 9 -35.401 1.403 -12.854 1.00 0.00 O ATOM 118 CB GLU A 9 -34.204 -1.632 -12.342 1.00 0.00 C ATOM 119 CG GLU A 9 -34.963 -2.564 -11.395 1.00 0.00 C ATOM 120 CD GLU A 9 -34.084 -3.738 -10.960 1.00 0.00 C ATOM 121 OE1 GLU A 9 -32.954 -3.527 -10.493 1.00 0.00 O ATOM 122 OE2 GLU A 9 -34.612 -4.904 -11.120 1.00 0.00 O ATOM 0 H GLU A 9 -33.455 -0.636 -14.492 1.00 0.00 H new ATOM 0 HA GLU A 9 -35.935 -1.660 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -33.461 -2.201 -12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -33.663 -0.882 -11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -35.292 -2.007 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -35.859 -2.939 -11.889 1.00 0.00 H new ATOM 130 N SER A 10 -36.875 -0.018 -11.893 1.00 0.00 N ATOM 131 CA SER A 10 -37.609 1.032 -11.207 1.00 0.00 C ATOM 132 C SER A 10 -38.729 0.421 -10.362 1.00 0.00 C ATOM 133 O SER A 10 -39.259 -0.637 -10.699 1.00 0.00 O ATOM 134 CB SER A 10 -38.185 2.042 -12.201 1.00 0.00 C ATOM 135 OG SER A 10 -37.851 3.383 -11.854 1.00 0.00 O ATOM 0 H SER A 10 -37.229 -0.961 -11.733 1.00 0.00 H new ATOM 0 HA SER A 10 -36.916 1.562 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 10 -37.809 1.822 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 10 -39.269 1.936 -12.238 1.00 0.00 H new ATOM 0 HG SER A 10 -38.236 3.997 -12.514 1.00 0.00 H new ATOM 141 N SER A 11 -39.056 1.113 -9.280 1.00 0.00 N ATOM 142 CA SER A 11 -40.103 0.651 -8.385 1.00 0.00 C ATOM 143 C SER A 11 -41.417 1.367 -8.704 1.00 0.00 C ATOM 144 O SER A 11 -41.526 2.580 -8.531 1.00 0.00 O ATOM 145 CB SER A 11 -39.716 0.879 -6.922 1.00 0.00 C ATOM 146 OG SER A 11 -38.581 0.105 -6.543 1.00 0.00 O ATOM 0 H SER A 11 -38.614 1.990 -9.003 1.00 0.00 H new ATOM 0 HA SER A 11 -40.235 -0.421 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 11 -39.503 1.936 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.559 0.624 -6.280 1.00 0.00 H new ATOM 0 HG SER A 11 -38.365 0.280 -5.603 1.00 0.00 H new ATOM 152 N GLY A 12 -42.382 0.585 -9.165 1.00 0.00 N ATOM 153 CA GLY A 12 -43.685 1.129 -9.510 1.00 0.00 C ATOM 154 C GLY A 12 -44.691 0.899 -8.380 1.00 0.00 C ATOM 155 O GLY A 12 -45.592 0.071 -8.505 1.00 0.00 O ATOM 0 H GLY A 12 -42.288 -0.421 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -43.596 2.197 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -44.048 0.662 -10.425 1.00 0.00 H new ATOM 159 N CYS A 13 -44.505 1.649 -7.304 1.00 0.00 N ATOM 160 CA CYS A 13 -45.385 1.538 -6.153 1.00 0.00 C ATOM 161 C CYS A 13 -45.223 0.137 -5.558 1.00 0.00 C ATOM 162 O CYS A 13 -45.966 -0.779 -5.906 1.00 0.00 O ATOM 163 CB CYS A 13 -46.839 1.836 -6.522 1.00 0.00 C ATOM 164 SG CYS A 13 -47.041 3.619 -6.882 1.00 0.00 S ATOM 0 H CYS A 13 -43.758 2.336 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 13 -45.108 2.283 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -47.131 1.246 -7.391 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -47.497 1.545 -5.704 1.00 0.00 H new ATOM 0 HG CYS A 13 -48.279 3.861 -7.196 1.00 0.00 H new ATOM 170 N ASN A 14 -44.247 0.016 -4.670 1.00 0.00 N ATOM 171 CA ASN A 14 -43.978 -1.257 -4.023 1.00 0.00 C ATOM 172 C ASN A 14 -44.736 -1.319 -2.695 1.00 0.00 C ATOM 173 O ASN A 14 -44.344 -2.051 -1.787 1.00 0.00 O ATOM 174 CB ASN A 14 -42.486 -1.419 -3.725 1.00 0.00 C ATOM 175 CG ASN A 14 -41.863 -2.497 -4.614 1.00 0.00 C ATOM 176 OD1 ASN A 14 -41.506 -2.265 -5.757 1.00 0.00 O ATOM 177 ND2 ASN A 14 -41.753 -3.686 -4.027 1.00 0.00 N ATOM 0 H ASN A 14 -43.633 0.778 -4.383 1.00 0.00 H new ATOM 0 HA ASN A 14 -44.299 -2.052 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -41.974 -0.470 -3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -42.347 -1.683 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -41.350 -4.471 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -42.072 -3.812 -3.066 1.00 0.00 H new ATOM 184 N SER A 15 -45.806 -0.542 -2.624 1.00 0.00 N ATOM 185 CA SER A 15 -46.622 -0.500 -1.423 1.00 0.00 C ATOM 186 C SER A 15 -45.733 -0.298 -0.194 1.00 0.00 C ATOM 187 O SER A 15 -45.300 -1.267 0.429 1.00 0.00 O ATOM 188 CB SER A 15 -47.451 -1.777 -1.274 1.00 0.00 C ATOM 189 OG SER A 15 -46.630 -2.936 -1.153 1.00 0.00 O ATOM 0 H SER A 15 -46.127 0.064 -3.379 1.00 0.00 H new ATOM 0 HA SER A 15 -47.312 0.340 -1.508 1.00 0.00 H new ATOM 0 HB2 SER A 15 -48.091 -1.693 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 15 -48.107 -1.886 -2.138 1.00 0.00 H new ATOM 0 HG SER A 15 -45.740 -2.675 -0.835 1.00 0.00 H new ATOM 195 N HIS A 16 -45.487 0.966 0.118 1.00 0.00 N ATOM 196 CA HIS A 16 -44.658 1.306 1.262 1.00 0.00 C ATOM 197 C HIS A 16 -45.547 1.719 2.436 1.00 0.00 C ATOM 198 O HIS A 16 -45.317 2.754 3.060 1.00 0.00 O ATOM 199 CB HIS A 16 -43.633 2.379 0.889 1.00 0.00 C ATOM 200 CG HIS A 16 -44.216 3.549 0.132 1.00 0.00 C ATOM 201 ND1 HIS A 16 -43.576 4.140 -0.943 1.00 0.00 N ATOM 202 CD2 HIS A 16 -45.385 4.229 0.306 1.00 0.00 C ATOM 203 CE1 HIS A 16 -44.334 5.131 -1.388 1.00 0.00 C ATOM 204 NE2 HIS A 16 -45.455 5.185 -0.613 1.00 0.00 N ATOM 0 H HIS A 16 -45.847 1.767 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 16 -44.087 0.432 1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -43.161 2.748 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -42.849 1.923 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -46.128 4.025 1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -44.105 5.782 -2.219 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -46.221 5.850 -0.721 1.00 0.00 H new ATOM 212 N MET A 17 -46.545 0.888 2.702 1.00 0.00 N ATOM 213 CA MET A 17 -47.470 1.154 3.791 1.00 0.00 C ATOM 214 C MET A 17 -46.806 0.907 5.147 1.00 0.00 C ATOM 215 O MET A 17 -46.845 1.765 6.027 1.00 0.00 O ATOM 216 CB MET A 17 -48.696 0.250 3.650 1.00 0.00 C ATOM 217 CG MET A 17 -49.966 1.078 3.438 1.00 0.00 C ATOM 218 SD MET A 17 -51.262 0.495 4.519 1.00 0.00 S ATOM 219 CE MET A 17 -52.679 0.737 3.461 1.00 0.00 C ATOM 0 H MET A 17 -46.733 0.031 2.182 1.00 0.00 H new ATOM 0 HA MET A 17 -47.771 2.200 3.741 1.00 0.00 H new ATOM 0 HB2 MET A 17 -48.556 -0.430 2.810 1.00 0.00 H new ATOM 0 HB3 MET A 17 -48.803 -0.365 4.543 1.00 0.00 H new ATOM 0 HG2 MET A 17 -49.761 2.130 3.636 1.00 0.00 H new ATOM 0 HG3 MET A 17 -50.288 1.006 2.399 1.00 0.00 H new ATOM 0 HE1 MET A 17 -53.582 0.421 3.984 1.00 0.00 H new ATOM 0 HE2 MET A 17 -52.762 1.792 3.199 1.00 0.00 H new ATOM 0 HE3 MET A 17 -52.560 0.146 2.553 1.00 0.00 H new ATOM 229 N PRO A 18 -46.196 -0.302 5.277 1.00 0.00 N ATOM 230 CA PRO A 18 -45.524 -0.672 6.511 1.00 0.00 C ATOM 231 C PRO A 18 -44.186 0.057 6.647 1.00 0.00 C ATOM 232 O PRO A 18 -43.137 -0.498 6.325 1.00 0.00 O ATOM 233 CB PRO A 18 -45.373 -2.183 6.438 1.00 0.00 C ATOM 234 CG PRO A 18 -45.542 -2.549 4.972 1.00 0.00 C ATOM 235 CD PRO A 18 -46.129 -1.343 4.256 1.00 0.00 C ATOM 0 HA PRO A 18 -46.086 -0.383 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.397 -2.496 6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.122 -2.681 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -44.582 -2.824 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.199 -3.412 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -45.503 -1.036 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -47.116 -1.565 3.851 1.00 0.00 H new ATOM 243 N TYR A 19 -44.267 1.290 7.126 1.00 0.00 N ATOM 244 CA TYR A 19 -43.075 2.100 7.309 1.00 0.00 C ATOM 245 C TYR A 19 -42.273 1.630 8.524 1.00 0.00 C ATOM 246 O TYR A 19 -42.138 2.361 9.504 1.00 0.00 O ATOM 247 CB TYR A 19 -43.569 3.526 7.560 1.00 0.00 C ATOM 248 CG TYR A 19 -43.722 4.365 6.290 1.00 0.00 C ATOM 249 CD1 TYR A 19 -42.626 4.607 5.487 1.00 0.00 C ATOM 250 CD2 TYR A 19 -44.956 4.879 5.946 1.00 0.00 C ATOM 251 CE1 TYR A 19 -42.769 5.397 4.292 1.00 0.00 C ATOM 252 CE2 TYR A 19 -45.099 5.668 4.750 1.00 0.00 C ATOM 253 CZ TYR A 19 -43.999 5.888 3.982 1.00 0.00 C ATOM 254 OH TYR A 19 -44.135 6.634 2.853 1.00 0.00 O ATOM 0 H TYR A 19 -45.139 1.747 7.393 1.00 0.00 H new ATOM 0 HA TYR A 19 -42.426 2.029 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.530 3.482 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.873 4.027 8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.661 4.204 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -45.814 4.689 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -41.919 5.595 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -46.059 6.076 4.469 1.00 0.00 H new ATOM 0 HH TYR A 19 -45.069 6.917 2.758 1.00 0.00 H new ATOM 264 N GLY A 20 -41.762 0.412 8.420 1.00 0.00 N ATOM 265 CA GLY A 20 -40.977 -0.165 9.499 1.00 0.00 C ATOM 266 C GLY A 20 -39.616 0.523 9.615 1.00 0.00 C ATOM 267 O GLY A 20 -38.840 0.223 10.520 1.00 0.00 O ATOM 0 H GLY A 20 -41.876 -0.191 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.519 -0.068 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.836 -1.231 9.321 1.00 0.00 H new ATOM 271 N TYR A 21 -39.368 1.434 8.685 1.00 0.00 N ATOM 272 CA TYR A 21 -38.114 2.167 8.671 1.00 0.00 C ATOM 273 C TYR A 21 -37.956 3.007 9.941 1.00 0.00 C ATOM 274 O TYR A 21 -36.838 3.324 10.345 1.00 0.00 O ATOM 275 CB TYR A 21 -38.184 3.102 7.462 1.00 0.00 C ATOM 276 CG TYR A 21 -37.594 2.508 6.181 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.236 2.583 5.947 1.00 0.00 C ATOM 278 CD2 TYR A 21 -38.420 1.897 5.260 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.681 2.024 4.742 1.00 0.00 C ATOM 280 CE2 TYR A 21 -37.865 1.338 4.055 1.00 0.00 C ATOM 281 CZ TYR A 21 -36.523 1.429 3.855 1.00 0.00 C ATOM 282 OH TYR A 21 -35.999 0.900 2.717 1.00 0.00 O ATOM 0 H TYR A 21 -40.015 1.681 7.936 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.269 1.480 8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -39.225 3.368 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -37.656 4.026 7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -35.590 3.061 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -39.483 1.838 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -34.620 2.076 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -38.500 0.857 3.326 1.00 0.00 H new ATOM 0 HH TYR A 21 -36.717 0.507 2.178 1.00 0.00 H new ATOM 292 N ALA A 22 -39.092 3.343 10.535 1.00 0.00 N ATOM 293 CA ALA A 22 -39.093 4.139 11.750 1.00 0.00 C ATOM 294 C ALA A 22 -38.413 3.352 12.872 1.00 0.00 C ATOM 295 O ALA A 22 -37.698 3.925 13.692 1.00 0.00 O ATOM 296 CB ALA A 22 -40.530 4.532 12.101 1.00 0.00 C ATOM 0 H ALA A 22 -40.017 3.078 10.197 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.528 5.060 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.531 5.129 13.013 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.958 5.114 11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.126 3.632 12.256 1.00 0.00 H new ATOM 302 N ALA A 23 -38.660 2.050 12.871 1.00 0.00 N ATOM 303 CA ALA A 23 -38.081 1.178 13.879 1.00 0.00 C ATOM 304 C ALA A 23 -36.625 0.881 13.513 1.00 0.00 C ATOM 305 O ALA A 23 -35.906 0.245 14.282 1.00 0.00 O ATOM 306 CB ALA A 23 -38.923 -0.093 14.000 1.00 0.00 C ATOM 0 H ALA A 23 -39.253 1.578 12.188 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.084 1.664 14.855 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.488 -0.747 14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.940 0.171 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.941 -0.610 13.041 1.00 0.00 H new ATOM 312 N GLN A 24 -36.235 1.354 12.339 1.00 0.00 N ATOM 313 CA GLN A 24 -34.878 1.146 11.862 1.00 0.00 C ATOM 314 C GLN A 24 -33.974 2.293 12.318 1.00 0.00 C ATOM 315 O GLN A 24 -32.775 2.290 12.044 1.00 0.00 O ATOM 316 CB GLN A 24 -34.849 0.997 10.339 1.00 0.00 C ATOM 317 CG GLN A 24 -34.814 -0.478 9.934 1.00 0.00 C ATOM 318 CD GLN A 24 -33.374 -0.990 9.850 1.00 0.00 C ATOM 319 OE1 GLN A 24 -32.565 -0.517 9.069 1.00 0.00 O ATOM 320 NE2 GLN A 24 -33.102 -1.979 10.696 1.00 0.00 N ATOM 0 H GLN A 24 -36.835 1.881 11.704 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.500 0.218 12.292 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.727 1.476 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.975 1.509 9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -35.373 -1.071 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.306 -0.606 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.827 -2.328 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.168 -2.389 10.718 1.00 0.00 H new ATOM 329 N ALA A 25 -34.584 3.248 13.005 1.00 0.00 N ATOM 330 CA ALA A 25 -33.849 4.399 13.501 1.00 0.00 C ATOM 331 C ALA A 25 -32.761 3.926 14.468 1.00 0.00 C ATOM 332 O ALA A 25 -31.792 4.642 14.716 1.00 0.00 O ATOM 333 CB ALA A 25 -34.821 5.383 14.155 1.00 0.00 C ATOM 0 H ALA A 25 -35.579 3.248 13.230 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.357 4.922 12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.269 6.246 14.527 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.556 5.711 13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.331 4.893 14.985 1.00 0.00 H new ATOM 339 N ARG A 26 -32.958 2.723 14.987 1.00 0.00 N ATOM 340 CA ARG A 26 -32.005 2.146 15.920 1.00 0.00 C ATOM 341 C ARG A 26 -30.725 1.738 15.188 1.00 0.00 C ATOM 342 O ARG A 26 -29.638 1.778 15.763 1.00 0.00 O ATOM 343 CB ARG A 26 -32.595 0.921 16.622 1.00 0.00 C ATOM 344 CG ARG A 26 -32.226 0.909 18.107 1.00 0.00 C ATOM 345 CD ARG A 26 -33.460 1.144 18.981 1.00 0.00 C ATOM 346 NE ARG A 26 -33.200 2.240 19.941 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.990 2.524 20.998 1.00 0.00 C ATOM 348 NH1 ARG A 26 -35.100 1.794 21.239 1.00 0.00 N ATOM 349 NH2 ARG A 26 -33.662 3.526 21.791 1.00 0.00 N ATOM 0 H ARG A 26 -33.763 2.132 14.779 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.773 2.904 16.668 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.680 0.922 16.513 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.228 0.012 16.145 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.770 -0.047 18.364 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.482 1.680 18.307 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.317 1.394 18.355 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.714 0.231 19.519 1.00 0.00 H new ATOM 0 HE ARG A 26 -32.372 2.817 19.795 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -35.347 1.022 20.620 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -35.692 2.015 22.040 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -32.822 4.073 21.601 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -34.248 3.754 22.594 1.00 0.00 H new ATOM 362 N ALA A 27 -30.896 1.356 13.931 1.00 0.00 N ATOM 363 CA ALA A 27 -29.767 0.942 13.115 1.00 0.00 C ATOM 364 C ALA A 27 -28.898 2.160 12.799 1.00 0.00 C ATOM 365 O ALA A 27 -27.683 2.037 12.646 1.00 0.00 O ATOM 366 CB ALA A 27 -30.279 0.247 11.852 1.00 0.00 C ATOM 0 H ALA A 27 -31.799 1.324 13.458 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.146 0.225 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.433 -0.064 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.866 -0.628 12.131 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.904 0.937 11.285 1.00 0.00 H new ATOM 372 N ARG A 28 -29.553 3.308 12.710 1.00 0.00 N ATOM 373 CA ARG A 28 -28.855 4.547 12.415 1.00 0.00 C ATOM 374 C ARG A 28 -27.839 4.859 13.515 1.00 0.00 C ATOM 375 O ARG A 28 -26.801 5.465 13.253 1.00 0.00 O ATOM 376 CB ARG A 28 -29.835 5.715 12.289 1.00 0.00 C ATOM 377 CG ARG A 28 -29.552 6.535 11.029 1.00 0.00 C ATOM 378 CD ARG A 28 -29.995 7.989 11.210 1.00 0.00 C ATOM 379 NE ARG A 28 -29.035 8.706 12.079 1.00 0.00 N ATOM 380 CZ ARG A 28 -29.300 9.879 12.692 1.00 0.00 C ATOM 381 NH1 ARG A 28 -30.499 10.478 12.536 1.00 0.00 N ATOM 382 NH2 ARG A 28 -28.368 10.431 13.447 1.00 0.00 N ATOM 0 H ARG A 28 -30.560 3.406 12.837 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.338 4.418 11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.856 5.336 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.759 6.355 13.168 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.487 6.501 10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.074 6.095 10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.058 8.482 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -30.992 8.022 11.650 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.116 8.288 12.224 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -31.213 10.044 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -30.691 11.364 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -27.465 9.971 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -28.552 11.317 13.917 1.00 0.00 H new ATOM 395 N GLU A 29 -28.173 4.431 14.724 1.00 0.00 N ATOM 396 CA GLU A 29 -27.303 4.657 15.865 1.00 0.00 C ATOM 397 C GLU A 29 -26.183 3.615 15.893 1.00 0.00 C ATOM 398 O GLU A 29 -25.114 3.862 16.450 1.00 0.00 O ATOM 399 CB GLU A 29 -28.098 4.643 17.172 1.00 0.00 C ATOM 400 CG GLU A 29 -28.058 6.013 17.853 1.00 0.00 C ATOM 401 CD GLU A 29 -29.304 6.234 18.712 1.00 0.00 C ATOM 402 OE1 GLU A 29 -30.366 6.595 18.182 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.143 6.018 19.973 1.00 0.00 O ATOM 0 H GLU A 29 -29.035 3.929 14.938 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.852 5.644 15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.132 4.363 16.970 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.689 3.887 17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.165 6.089 18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.988 6.796 17.098 1.00 0.00 H new ATOM 411 N ARG A 30 -26.465 2.473 15.285 1.00 0.00 N ATOM 412 CA ARG A 30 -25.495 1.392 15.233 1.00 0.00 C ATOM 413 C ARG A 30 -24.624 1.521 13.982 1.00 0.00 C ATOM 414 O ARG A 30 -23.470 1.095 13.979 1.00 0.00 O ATOM 415 CB ARG A 30 -26.189 0.029 15.225 1.00 0.00 C ATOM 416 CG ARG A 30 -26.274 -0.552 16.637 1.00 0.00 C ATOM 417 CD ARG A 30 -26.201 -2.080 16.607 1.00 0.00 C ATOM 418 NE ARG A 30 -25.585 -2.582 17.856 1.00 0.00 N ATOM 419 CZ ARG A 30 -25.719 -3.846 18.311 1.00 0.00 C ATOM 420 NH1 ARG A 30 -26.449 -4.748 17.622 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.124 -4.186 19.439 1.00 0.00 N ATOM 0 H ARG A 30 -27.352 2.272 14.824 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.871 1.463 16.124 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.191 0.130 14.809 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.643 -0.657 14.578 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.461 -0.157 17.246 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.206 -0.238 17.108 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.201 -2.498 16.492 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.617 -2.408 15.747 1.00 0.00 H new ATOM 0 HE ARG A 30 -25.024 -1.932 18.407 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.904 -4.477 16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -26.545 -5.701 17.973 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.573 -3.498 19.953 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.215 -5.137 19.797 1.00 0.00 H new ATOM 434 N GLU A 31 -25.210 2.110 12.949 1.00 0.00 N ATOM 435 CA GLU A 31 -24.501 2.300 11.695 1.00 0.00 C ATOM 436 C GLU A 31 -23.338 3.275 11.885 1.00 0.00 C ATOM 437 O GLU A 31 -22.415 3.312 11.073 1.00 0.00 O ATOM 438 CB GLU A 31 -25.450 2.785 10.598 1.00 0.00 C ATOM 439 CG GLU A 31 -25.527 1.773 9.453 1.00 0.00 C ATOM 440 CD GLU A 31 -24.668 2.219 8.268 1.00 0.00 C ATOM 441 OE1 GLU A 31 -24.958 3.251 7.646 1.00 0.00 O ATOM 442 OE2 GLU A 31 -23.667 1.450 8.001 1.00 0.00 O ATOM 0 H GLU A 31 -26.167 2.462 12.955 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.095 1.339 11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.444 2.943 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.108 3.747 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.192 0.797 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.563 1.658 9.133 1.00 0.00 H new ATOM 450 N ARG A 32 -23.420 4.042 12.963 1.00 0.00 N ATOM 451 CA ARG A 32 -22.386 5.015 13.270 1.00 0.00 C ATOM 452 C ARG A 32 -21.037 4.316 13.451 1.00 0.00 C ATOM 453 O ARG A 32 -19.988 4.912 13.211 1.00 0.00 O ATOM 454 CB ARG A 32 -22.724 5.795 14.543 1.00 0.00 C ATOM 455 CG ARG A 32 -22.652 7.303 14.296 1.00 0.00 C ATOM 456 CD ARG A 32 -21.253 7.842 14.598 1.00 0.00 C ATOM 457 NE ARG A 32 -21.338 9.249 15.047 1.00 0.00 N ATOM 458 CZ ARG A 32 -20.367 9.884 15.739 1.00 0.00 C ATOM 459 NH1 ARG A 32 -19.227 9.240 16.066 1.00 0.00 N ATOM 460 NH2 ARG A 32 -20.550 11.143 16.090 1.00 0.00 N ATOM 0 H ARG A 32 -24.187 4.009 13.634 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.328 5.713 12.435 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.724 5.526 14.884 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.031 5.519 15.338 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.913 7.518 13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.385 7.813 14.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.779 7.234 15.368 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.628 7.773 13.708 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.183 9.773 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.094 8.267 15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.498 9.726 16.589 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.415 11.622 15.839 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.827 11.637 16.613 1.00 0.00 H new ATOM 473 N LEU A 33 -21.108 3.062 13.874 1.00 0.00 N ATOM 474 CA LEU A 33 -19.905 2.276 14.091 1.00 0.00 C ATOM 475 C LEU A 33 -19.539 1.546 12.797 1.00 0.00 C ATOM 476 O LEU A 33 -18.431 1.028 12.665 1.00 0.00 O ATOM 477 CB LEU A 33 -20.081 1.346 15.293 1.00 0.00 C ATOM 478 CG LEU A 33 -19.012 1.448 16.382 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.365 2.538 17.396 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.783 0.093 17.054 1.00 0.00 C ATOM 0 H LEU A 33 -21.980 2.571 14.072 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.066 2.925 14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.052 1.549 15.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.106 0.318 14.931 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.072 1.737 15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.589 2.590 18.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.438 3.499 16.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.320 2.303 17.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.018 0.193 17.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.713 -0.250 17.508 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.455 -0.632 16.309 1.00 0.00 H new ATOM 492 N ALA A 34 -20.490 1.529 11.875 1.00 0.00 N ATOM 493 CA ALA A 34 -20.281 0.872 10.596 1.00 0.00 C ATOM 494 C ALA A 34 -19.521 1.814 9.661 1.00 0.00 C ATOM 495 O ALA A 34 -19.310 1.496 8.491 1.00 0.00 O ATOM 496 CB ALA A 34 -21.630 0.439 10.018 1.00 0.00 C ATOM 0 H ALA A 34 -21.408 1.960 11.988 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.676 -0.026 10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.473 -0.054 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.116 -0.253 10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.263 1.315 9.877 1.00 0.00 H new ATOM 502 N HIS A 35 -19.132 2.955 10.211 1.00 0.00 N ATOM 503 CA HIS A 35 -18.400 3.946 9.440 1.00 0.00 C ATOM 504 C HIS A 35 -16.897 3.690 9.570 1.00 0.00 C ATOM 505 O HIS A 35 -16.100 4.263 8.830 1.00 0.00 O ATOM 506 CB HIS A 35 -18.799 5.362 9.858 1.00 0.00 C ATOM 507 CG HIS A 35 -19.143 6.270 8.702 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.075 7.650 8.786 1.00 0.00 N ATOM 509 CD2 HIS A 35 -19.556 5.982 7.435 1.00 0.00 C ATOM 510 CE1 HIS A 35 -19.435 8.159 7.617 1.00 0.00 C ATOM 511 NE2 HIS A 35 -19.733 7.123 6.781 1.00 0.00 N ATOM 0 H HIS A 35 -19.310 3.215 11.181 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.658 3.855 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.656 5.304 10.528 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.981 5.807 10.425 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -19.713 4.992 7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -19.484 9.209 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.041 7.211 5.813 1.00 0.00 H new ATOM 519 N SER A 36 -16.556 2.828 10.517 1.00 0.00 N ATOM 520 CA SER A 36 -15.163 2.489 10.754 1.00 0.00 C ATOM 521 C SER A 36 -14.763 1.288 9.895 1.00 0.00 C ATOM 522 O SER A 36 -13.579 1.059 9.655 1.00 0.00 O ATOM 523 CB SER A 36 -14.913 2.191 12.234 1.00 0.00 C ATOM 524 OG SER A 36 -15.492 0.951 12.634 1.00 0.00 O ATOM 0 H SER A 36 -17.220 2.354 11.129 1.00 0.00 H new ATOM 0 HA SER A 36 -14.550 3.346 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.840 2.168 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.326 2.997 12.841 1.00 0.00 H new ATOM 0 HG SER A 36 -16.469 1.029 12.629 1.00 0.00 H new ATOM 530 N ARG A 37 -15.774 0.552 9.457 1.00 0.00 N ATOM 531 CA ARG A 37 -15.543 -0.620 8.630 1.00 0.00 C ATOM 532 C ARG A 37 -15.540 -0.233 7.149 1.00 0.00 C ATOM 533 O ARG A 37 -15.579 -1.099 6.277 1.00 0.00 O ATOM 534 CB ARG A 37 -16.616 -1.683 8.869 1.00 0.00 C ATOM 535 CG ARG A 37 -15.998 -3.082 8.933 1.00 0.00 C ATOM 536 CD ARG A 37 -15.567 -3.426 10.361 1.00 0.00 C ATOM 537 NE ARG A 37 -14.091 -3.418 10.460 1.00 0.00 N ATOM 538 CZ ARG A 37 -13.397 -3.995 11.464 1.00 0.00 C ATOM 539 NH1 ARG A 37 -14.041 -4.632 12.465 1.00 0.00 N ATOM 540 NH2 ARG A 37 -12.079 -3.927 11.452 1.00 0.00 N ATOM 0 H ARG A 37 -16.755 0.745 9.659 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.572 -1.032 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.142 -1.471 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.356 -1.645 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.719 -3.819 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.137 -3.134 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.991 -2.706 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.953 -4.406 10.640 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.565 -2.947 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.060 -4.680 12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.509 -5.065 13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.600 -3.444 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.539 -4.358 12.203 1.00 0.00 H new ATOM 553 N ALA A 38 -15.493 1.070 6.911 1.00 0.00 N ATOM 554 CA ALA A 38 -15.485 1.582 5.552 1.00 0.00 C ATOM 555 C ALA A 38 -14.332 0.940 4.776 1.00 0.00 C ATOM 556 O ALA A 38 -14.549 0.321 3.736 1.00 0.00 O ATOM 557 CB ALA A 38 -15.388 3.109 5.582 1.00 0.00 C ATOM 0 H ALA A 38 -15.460 1.786 7.637 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.412 1.324 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.382 3.493 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.244 3.517 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.468 3.405 6.087 1.00 0.00 H new ATOM 563 N ALA A 39 -13.133 1.110 5.313 1.00 0.00 N ATOM 564 CA ALA A 39 -11.946 0.555 4.685 1.00 0.00 C ATOM 565 C ALA A 39 -11.968 -0.969 4.821 1.00 0.00 C ATOM 566 O ALA A 39 -12.726 -1.513 5.623 1.00 0.00 O ATOM 567 CB ALA A 39 -10.698 1.179 5.311 1.00 0.00 C ATOM 0 H ALA A 39 -12.958 1.624 6.176 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.929 0.791 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.808 0.763 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.717 2.258 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.679 0.961 6.379 1.00 0.00 H new ATOM 573 N ALA A 40 -11.127 -1.614 4.026 1.00 0.00 N ATOM 574 CA ALA A 40 -11.040 -3.064 4.048 1.00 0.00 C ATOM 575 C ALA A 40 -10.700 -3.529 5.465 1.00 0.00 C ATOM 576 O ALA A 40 -11.468 -4.264 6.082 1.00 0.00 O ATOM 577 CB ALA A 40 -10.009 -3.530 3.017 1.00 0.00 C ATOM 0 H ALA A 40 -10.500 -1.159 3.363 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.997 -3.510 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.944 -4.618 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.313 -3.200 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.035 -3.104 3.259 1.00 0.00 H new ATOM 583 N ALA A 41 -9.546 -3.081 5.939 1.00 0.00 N ATOM 584 CA ALA A 41 -9.094 -3.442 7.272 1.00 0.00 C ATOM 585 C ALA A 41 -8.545 -4.871 7.250 1.00 0.00 C ATOM 586 O ALA A 41 -7.339 -5.078 7.370 1.00 0.00 O ATOM 587 CB ALA A 41 -10.246 -3.275 8.264 1.00 0.00 C ATOM 0 H ALA A 41 -8.911 -2.472 5.424 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.287 -2.784 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.907 -3.546 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.580 -2.237 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.073 -3.923 7.973 1.00 0.00 H new ATOM 593 N ALA A 42 -9.458 -5.819 7.096 1.00 0.00 N ATOM 594 CA ALA A 42 -9.081 -7.221 7.058 1.00 0.00 C ATOM 595 C ALA A 42 -7.947 -7.412 6.048 1.00 0.00 C ATOM 596 O ALA A 42 -6.905 -7.975 6.379 1.00 0.00 O ATOM 597 CB ALA A 42 -10.308 -8.071 6.723 1.00 0.00 C ATOM 0 H ALA A 42 -10.458 -5.643 6.996 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.715 -7.546 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.025 -9.123 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.073 -7.922 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.701 -7.775 5.751 1.00 0.00 H new ATOM 603 N ALA A 43 -8.189 -6.933 4.837 1.00 0.00 N ATOM 604 CA ALA A 43 -7.201 -7.044 3.777 1.00 0.00 C ATOM 605 C ALA A 43 -5.836 -6.604 4.310 1.00 0.00 C ATOM 606 O ALA A 43 -4.801 -7.011 3.786 1.00 0.00 O ATOM 607 CB ALA A 43 -7.651 -6.216 2.571 1.00 0.00 C ATOM 0 H ALA A 43 -9.055 -6.467 4.566 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.108 -8.078 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.910 -6.299 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.611 -6.587 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.753 -5.171 2.865 1.00 0.00 H new ATOM 613 N VAL A 44 -5.879 -5.778 5.345 1.00 0.00 N ATOM 614 CA VAL A 44 -4.659 -5.278 5.955 1.00 0.00 C ATOM 615 C VAL A 44 -4.319 -6.131 7.178 1.00 0.00 C ATOM 616 O VAL A 44 -3.147 -6.308 7.510 1.00 0.00 O ATOM 617 CB VAL A 44 -4.809 -3.792 6.285 1.00 0.00 C ATOM 618 CG1 VAL A 44 -4.254 -3.480 7.676 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.138 -2.922 5.220 1.00 0.00 C ATOM 0 H VAL A 44 -6.740 -5.442 5.777 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.824 -5.359 5.260 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.873 -3.557 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.373 -2.417 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.797 -4.060 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.196 -3.741 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.260 -1.870 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.076 -3.163 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.599 -3.112 4.251 1.00 0.00 H new ATOM 629 N ALA A 45 -5.364 -6.636 7.817 1.00 0.00 N ATOM 630 CA ALA A 45 -5.191 -7.466 8.997 1.00 0.00 C ATOM 631 C ALA A 45 -4.044 -8.451 8.758 1.00 0.00 C ATOM 632 O ALA A 45 -3.050 -8.438 9.482 1.00 0.00 O ATOM 633 CB ALA A 45 -6.508 -8.173 9.322 1.00 0.00 C ATOM 0 H ALA A 45 -6.334 -6.486 7.540 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.927 -6.855 9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.378 -8.796 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.283 -7.430 9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.803 -8.798 8.479 1.00 0.00 H new ATOM 639 N ALA A 46 -4.222 -9.282 7.741 1.00 0.00 N ATOM 640 CA ALA A 46 -3.215 -10.271 7.399 1.00 0.00 C ATOM 641 C ALA A 46 -1.933 -9.559 6.963 1.00 0.00 C ATOM 642 O ALA A 46 -0.855 -9.840 7.484 1.00 0.00 O ATOM 643 CB ALA A 46 -3.762 -11.202 6.314 1.00 0.00 C ATOM 0 H ALA A 46 -5.049 -9.290 7.143 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.972 -10.886 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.007 -11.944 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.655 -11.706 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.014 -10.619 5.428 1.00 0.00 H new ATOM 649 N ALA A 47 -2.093 -8.650 6.012 1.00 0.00 N ATOM 650 CA ALA A 47 -0.962 -7.895 5.501 1.00 0.00 C ATOM 651 C ALA A 47 -0.254 -7.196 6.663 1.00 0.00 C ATOM 652 O ALA A 47 -0.565 -7.448 7.826 1.00 0.00 O ATOM 653 CB ALA A 47 -1.446 -6.910 4.435 1.00 0.00 C ATOM 0 H ALA A 47 -2.989 -8.420 5.582 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.239 -8.559 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.598 -6.343 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.915 -7.459 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.171 -6.225 4.875 1.00 0.00 H new ATOM 659 N THR A 48 0.685 -6.331 6.308 1.00 0.00 N ATOM 660 CA THR A 48 1.440 -5.594 7.306 1.00 0.00 C ATOM 661 C THR A 48 1.760 -6.492 8.504 1.00 0.00 C ATOM 662 O THR A 48 1.336 -6.212 9.624 1.00 0.00 O ATOM 663 CB THR A 48 0.637 -4.346 7.680 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.611 -4.860 8.136 1.00 0.00 O ATOM 665 CG2 THR A 48 0.268 -3.501 6.459 1.00 0.00 C ATOM 0 H THR A 48 0.940 -6.124 5.342 1.00 0.00 H new ATOM 0 HA THR A 48 2.405 -5.272 6.914 1.00 0.00 H new ATOM 0 HB THR A 48 1.212 -3.741 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.453 -5.629 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.301 -2.628 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.177 -3.176 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.336 -4.096 5.774 1.00 0.00 H new ATOM 673 N ALA A 49 2.503 -7.552 8.225 1.00 0.00 N ATOM 674 CA ALA A 49 2.884 -8.493 9.265 1.00 0.00 C ATOM 675 C ALA A 49 3.319 -7.719 10.512 1.00 0.00 C ATOM 676 O ALA A 49 3.619 -6.529 10.435 1.00 0.00 O ATOM 677 CB ALA A 49 3.984 -9.417 8.740 1.00 0.00 C ATOM 0 H ALA A 49 2.852 -7.781 7.294 1.00 0.00 H new ATOM 0 HA ALA A 49 2.037 -9.120 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.270 -10.123 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.616 -9.965 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.852 -8.823 8.453 1.00 0.00 H new ATOM 683 N ALA A 50 3.339 -8.428 11.632 1.00 0.00 N ATOM 684 CA ALA A 50 3.732 -7.823 12.893 1.00 0.00 C ATOM 685 C ALA A 50 5.257 -7.861 13.018 1.00 0.00 C ATOM 686 O ALA A 50 5.788 -8.296 14.039 1.00 0.00 O ATOM 687 CB ALA A 50 3.034 -8.546 14.046 1.00 0.00 C ATOM 0 H ALA A 50 3.089 -9.415 11.692 1.00 0.00 H new ATOM 0 HA ALA A 50 3.424 -6.778 12.930 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.329 -8.092 14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.954 -8.465 13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.321 -9.597 14.043 1.00 0.00 H new ATOM 693 N VAL A 51 5.917 -7.399 11.966 1.00 0.00 N ATOM 694 CA VAL A 51 7.370 -7.374 11.946 1.00 0.00 C ATOM 695 C VAL A 51 7.906 -8.607 12.677 1.00 0.00 C ATOM 696 O VAL A 51 8.838 -8.504 13.473 1.00 0.00 O ATOM 697 CB VAL A 51 7.879 -6.059 12.539 1.00 0.00 C ATOM 698 CG1 VAL A 51 8.007 -6.156 14.060 1.00 0.00 C ATOM 699 CG2 VAL A 51 9.208 -5.649 11.902 1.00 0.00 C ATOM 0 H VAL A 51 5.472 -7.039 11.121 1.00 0.00 H new ATOM 0 HA VAL A 51 7.739 -7.417 10.921 1.00 0.00 H new ATOM 0 HB VAL A 51 7.146 -5.284 12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.371 -5.208 14.456 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.032 -6.380 14.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.709 -6.949 14.316 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.548 -4.711 12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.952 -6.425 12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.072 -5.519 10.828 1.00 0.00 H new ATOM 709 N GLU A 52 7.295 -9.744 12.380 1.00 0.00 N ATOM 710 CA GLU A 52 7.700 -10.995 12.999 1.00 0.00 C ATOM 711 C GLU A 52 7.990 -12.048 11.928 1.00 0.00 C ATOM 712 O GLU A 52 7.450 -11.981 10.825 1.00 0.00 O ATOM 713 CB GLU A 52 6.636 -11.491 13.981 1.00 0.00 C ATOM 714 CG GLU A 52 7.280 -12.169 15.191 1.00 0.00 C ATOM 715 CD GLU A 52 6.297 -13.124 15.872 1.00 0.00 C ATOM 716 OE1 GLU A 52 6.107 -14.256 15.403 1.00 0.00 O ATOM 717 OE2 GLU A 52 5.721 -12.653 16.926 1.00 0.00 O ATOM 0 H GLU A 52 6.522 -9.826 11.719 1.00 0.00 H new ATOM 0 HA GLU A 52 8.615 -10.818 13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.023 -10.653 14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.971 -12.193 13.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.167 -12.719 14.875 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.610 -11.413 15.903 1.00 0.00 H new ATOM 725 N GLY A 53 8.842 -12.995 12.290 1.00 0.00 N ATOM 726 CA GLY A 53 9.211 -14.061 11.374 1.00 0.00 C ATOM 727 C GLY A 53 10.568 -13.781 10.726 1.00 0.00 C ATOM 728 O GLY A 53 10.641 -13.121 9.691 1.00 0.00 O ATOM 0 H GLY A 53 9.288 -13.047 13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.249 -15.009 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.449 -14.162 10.601 1.00 0.00 H new ATOM 732 N THR A 54 11.610 -14.298 11.361 1.00 0.00 N ATOM 733 CA THR A 54 12.960 -14.112 10.860 1.00 0.00 C ATOM 734 C THR A 54 13.213 -15.025 9.658 1.00 0.00 C ATOM 735 O THR A 54 12.926 -16.220 9.711 1.00 0.00 O ATOM 736 CB THR A 54 13.932 -14.349 12.018 1.00 0.00 C ATOM 737 OG1 THR A 54 15.218 -14.142 11.440 1.00 0.00 O ATOM 738 CG2 THR A 54 13.957 -15.810 12.471 1.00 0.00 C ATOM 0 H THR A 54 11.546 -14.846 12.219 1.00 0.00 H new ATOM 0 HA THR A 54 13.109 -13.096 10.495 1.00 0.00 H new ATOM 0 HB THR A 54 13.657 -13.713 12.859 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.909 -14.274 12.123 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.662 -15.924 13.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.962 -16.105 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 54 14.265 -16.444 11.639 1.00 0.00 H new ATOM 746 N GLY A 55 13.748 -14.427 8.604 1.00 0.00 N ATOM 747 CA GLY A 55 14.043 -15.171 7.391 1.00 0.00 C ATOM 748 C GLY A 55 15.535 -15.494 7.295 1.00 0.00 C ATOM 749 O GLY A 55 16.295 -15.214 8.220 1.00 0.00 O ATOM 0 H GLY A 55 13.985 -13.436 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.466 -16.095 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.736 -14.591 6.521 1.00 0.00 H new ATOM 753 N GLY A 56 15.910 -16.079 6.167 1.00 0.00 N ATOM 754 CA GLY A 56 17.298 -16.442 5.937 1.00 0.00 C ATOM 755 C GLY A 56 17.485 -17.960 5.998 1.00 0.00 C ATOM 756 O GLY A 56 17.703 -18.520 7.071 1.00 0.00 O ATOM 0 H GLY A 56 15.276 -16.311 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.618 -16.071 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.931 -15.964 6.684 1.00 0.00 H new ATOM 760 N SER A 57 17.392 -18.582 4.832 1.00 0.00 N ATOM 761 CA SER A 57 17.547 -20.024 4.739 1.00 0.00 C ATOM 762 C SER A 57 18.975 -20.422 5.117 1.00 0.00 C ATOM 763 O SER A 57 19.924 -20.098 4.404 1.00 0.00 O ATOM 764 CB SER A 57 17.212 -20.524 3.332 1.00 0.00 C ATOM 765 OG SER A 57 17.581 -21.889 3.149 1.00 0.00 O ATOM 0 H SER A 57 17.211 -18.114 3.944 1.00 0.00 H new ATOM 0 HA SER A 57 16.850 -20.489 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.143 -20.410 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.727 -19.907 2.596 1.00 0.00 H new ATOM 0 HG SER A 57 17.350 -22.171 2.239 1.00 0.00 H new ATOM 771 N GLY A 58 19.084 -21.117 6.240 1.00 0.00 N ATOM 772 CA GLY A 58 20.380 -21.562 6.722 1.00 0.00 C ATOM 773 C GLY A 58 20.616 -23.035 6.381 1.00 0.00 C ATOM 774 O GLY A 58 19.668 -23.811 6.276 1.00 0.00 O ATOM 0 H GLY A 58 18.295 -21.383 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 21.166 -20.952 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.439 -21.421 7.801 1.00 0.00 H new ATOM 778 N GLY A 59 21.886 -23.376 6.217 1.00 0.00 N ATOM 779 CA GLY A 59 22.258 -24.741 5.890 1.00 0.00 C ATOM 780 C GLY A 59 23.363 -24.770 4.832 1.00 0.00 C ATOM 781 O GLY A 59 23.579 -23.785 4.128 1.00 0.00 O ATOM 0 H GLY A 59 22.670 -22.730 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.597 -25.255 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.385 -25.282 5.524 1.00 0.00 H new ATOM 785 N GLY A 60 24.035 -25.910 4.754 1.00 0.00 N ATOM 786 CA GLY A 60 25.112 -26.079 3.794 1.00 0.00 C ATOM 787 C GLY A 60 25.184 -27.526 3.301 1.00 0.00 C ATOM 788 O GLY A 60 24.637 -28.429 3.932 1.00 0.00 O ATOM 0 H GLY A 60 23.854 -26.725 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 60 24.958 -25.410 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 60 26.060 -25.800 4.253 1.00 0.00 H new ATOM 792 N PRO A 61 25.882 -27.706 2.147 1.00 0.00 N ATOM 793 CA PRO A 61 26.032 -29.027 1.562 1.00 0.00 C ATOM 794 C PRO A 61 27.046 -29.862 2.346 1.00 0.00 C ATOM 795 O PRO A 61 28.021 -29.327 2.873 1.00 0.00 O ATOM 796 CB PRO A 61 26.456 -28.775 0.124 1.00 0.00 C ATOM 797 CG PRO A 61 26.976 -27.347 0.088 1.00 0.00 C ATOM 798 CD PRO A 61 26.543 -26.660 1.373 1.00 0.00 C ATOM 0 HA PRO A 61 25.111 -29.609 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 27.228 -29.480 -0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 61 25.616 -28.902 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 61 28.062 -27.339 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 61 26.580 -26.819 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 61 27.398 -26.250 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 61 25.866 -25.830 1.170 1.00 0.00 H new ATOM 806 N HIS A 62 26.783 -31.160 2.398 1.00 0.00 N ATOM 807 CA HIS A 62 27.660 -32.073 3.110 1.00 0.00 C ATOM 808 C HIS A 62 27.853 -33.347 2.284 1.00 0.00 C ATOM 809 O HIS A 62 27.189 -34.354 2.524 1.00 0.00 O ATOM 810 CB HIS A 62 27.128 -32.354 4.516 1.00 0.00 C ATOM 811 CG HIS A 62 25.818 -33.105 4.538 1.00 0.00 C ATOM 812 ND1 HIS A 62 24.989 -33.482 3.522 1.00 0.00 N flip ATOM 813 CD2 HIS A 62 25.230 -33.552 5.709 1.00 0.00 C flip ATOM 814 CE1 HIS A 62 23.952 -34.126 4.044 1.00 0.00 C flip ATOM 815 NE2 HIS A 62 24.099 -34.170 5.399 1.00 0.00 N flip ATOM 0 H HIS A 62 25.975 -31.601 1.958 1.00 0.00 H new ATOM 0 HA HIS A 62 28.640 -31.613 3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 62 27.873 -32.927 5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 62 27.001 -31.407 5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 62 25.625 -33.420 6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 62 23.128 -34.546 3.487 1.00 0.00 H new ATOM 0 HE2 HIS A 62 23.452 -34.603 6.058 1.00 0.00 H new ATOM 823 N HIS A 63 28.766 -33.260 1.327 1.00 0.00 N ATOM 824 CA HIS A 63 29.055 -34.393 0.464 1.00 0.00 C ATOM 825 C HIS A 63 29.048 -35.682 1.289 1.00 0.00 C ATOM 826 O HIS A 63 29.403 -35.671 2.466 1.00 0.00 O ATOM 827 CB HIS A 63 30.368 -34.180 -0.291 1.00 0.00 C ATOM 828 CG HIS A 63 30.580 -35.139 -1.438 1.00 0.00 C ATOM 829 ND1 HIS A 63 31.796 -35.751 -1.689 1.00 0.00 N ATOM 830 CD2 HIS A 63 29.719 -35.586 -2.397 1.00 0.00 C ATOM 831 CE1 HIS A 63 31.661 -36.528 -2.753 1.00 0.00 C ATOM 832 NE2 HIS A 63 30.374 -36.423 -3.192 1.00 0.00 N ATOM 0 H HIS A 63 29.315 -32.423 1.131 1.00 0.00 H new ATOM 0 HA HIS A 63 28.278 -34.484 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 63 30.393 -33.160 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 63 31.198 -34.278 0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 63 28.680 -35.306 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 63 32.435 -37.138 -3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 63 29.980 -36.908 -3.998 1.00 0.00 H new ATOM 840 N HIS A 64 28.640 -36.761 0.638 1.00 0.00 N ATOM 841 CA HIS A 64 28.582 -38.055 1.296 1.00 0.00 C ATOM 842 C HIS A 64 29.975 -38.687 1.308 1.00 0.00 C ATOM 843 O HIS A 64 30.513 -38.992 2.371 1.00 0.00 O ATOM 844 CB HIS A 64 27.529 -38.951 0.641 1.00 0.00 C ATOM 845 CG HIS A 64 27.556 -38.928 -0.869 1.00 0.00 C ATOM 846 ND1 HIS A 64 27.041 -37.879 -1.611 1.00 0.00 N ATOM 847 CD2 HIS A 64 28.041 -39.833 -1.766 1.00 0.00 C ATOM 848 CE1 HIS A 64 27.213 -38.153 -2.896 1.00 0.00 C ATOM 849 NE2 HIS A 64 27.833 -39.364 -2.990 1.00 0.00 N ATOM 0 H HIS A 64 28.346 -36.766 -0.339 1.00 0.00 H new ATOM 0 HA HIS A 64 28.271 -37.927 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 64 27.677 -39.976 0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 64 26.541 -38.641 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 64 28.514 -40.773 -1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 64 26.914 -37.527 -3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 64 28.094 -39.832 -3.858 1.00 0.00 H new ATOM 857 N HIS A 65 30.518 -38.866 0.113 1.00 0.00 N ATOM 858 CA HIS A 65 31.838 -39.456 -0.028 1.00 0.00 C ATOM 859 C HIS A 65 31.950 -40.685 0.877 1.00 0.00 C ATOM 860 O HIS A 65 32.373 -40.577 2.027 1.00 0.00 O ATOM 861 CB HIS A 65 32.930 -38.419 0.243 1.00 0.00 C ATOM 862 CG HIS A 65 32.864 -37.805 1.621 1.00 0.00 C ATOM 863 ND1 HIS A 65 32.137 -36.660 1.898 1.00 0.00 N ATOM 864 CD2 HIS A 65 33.440 -38.188 2.797 1.00 0.00 C ATOM 865 CE1 HIS A 65 32.278 -36.375 3.184 1.00 0.00 C ATOM 866 NE2 HIS A 65 33.086 -37.323 3.739 1.00 0.00 N ATOM 0 H HIS A 65 30.068 -38.613 -0.767 1.00 0.00 H new ATOM 0 HA HIS A 65 31.983 -39.789 -1.056 1.00 0.00 H new ATOM 0 HB2 HIS A 65 33.904 -38.890 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 65 32.857 -37.626 -0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 65 34.076 -39.049 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 65 31.832 -35.539 3.702 1.00 0.00 H new ATOM 0 HE2 HIS A 65 33.371 -37.361 4.718 1.00 0.00 H new ATOM 874 N GLN A 66 31.564 -41.825 0.323 1.00 0.00 N ATOM 875 CA GLN A 66 31.615 -43.073 1.066 1.00 0.00 C ATOM 876 C GLN A 66 32.956 -43.773 0.835 1.00 0.00 C ATOM 877 O GLN A 66 33.787 -43.292 0.067 1.00 0.00 O ATOM 878 CB GLN A 66 30.447 -43.985 0.686 1.00 0.00 C ATOM 879 CG GLN A 66 30.124 -44.962 1.819 1.00 0.00 C ATOM 880 CD GLN A 66 28.612 -45.088 2.019 1.00 0.00 C ATOM 881 OE1 GLN A 66 27.834 -45.097 1.080 1.00 0.00 O ATOM 882 NE2 GLN A 66 28.242 -45.184 3.293 1.00 0.00 N ATOM 0 H GLN A 66 31.215 -41.911 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 66 31.524 -42.846 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 66 29.568 -43.381 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 66 30.694 -44.540 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 66 30.547 -45.940 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 66 30.590 -44.620 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 66 28.946 -45.170 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 66 27.254 -45.272 3.532 1.00 0.00 H new ATOM 891 N THR A 67 33.123 -44.899 1.514 1.00 0.00 N ATOM 892 CA THR A 67 34.349 -45.670 1.393 1.00 0.00 C ATOM 893 C THR A 67 34.488 -46.230 -0.024 1.00 0.00 C ATOM 894 O THR A 67 33.498 -46.620 -0.642 1.00 0.00 O ATOM 895 CB THR A 67 34.336 -46.752 2.475 1.00 0.00 C ATOM 896 OG1 THR A 67 32.953 -47.047 2.654 1.00 0.00 O ATOM 897 CG2 THR A 67 34.783 -46.221 3.838 1.00 0.00 C ATOM 0 H THR A 67 32.430 -45.295 2.149 1.00 0.00 H new ATOM 0 HA THR A 67 35.227 -45.044 1.550 1.00 0.00 H new ATOM 0 HB THR A 67 34.986 -47.574 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 67 32.853 -47.741 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 34.756 -47.028 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 67 35.799 -45.834 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 67 34.113 -45.422 4.155 1.00 0.00 H new ATOM 905 N ARG A 68 35.725 -46.252 -0.498 1.00 0.00 N ATOM 906 CA ARG A 68 36.007 -46.758 -1.831 1.00 0.00 C ATOM 907 C ARG A 68 37.512 -46.725 -2.104 1.00 0.00 C ATOM 908 O ARG A 68 38.075 -45.666 -2.374 1.00 0.00 O ATOM 909 CB ARG A 68 35.285 -45.932 -2.897 1.00 0.00 C ATOM 910 CG ARG A 68 35.143 -46.723 -4.200 1.00 0.00 C ATOM 911 CD ARG A 68 36.113 -46.205 -5.264 1.00 0.00 C ATOM 912 NE ARG A 68 35.359 -45.634 -6.402 1.00 0.00 N ATOM 913 CZ ARG A 68 34.911 -46.356 -7.451 1.00 0.00 C ATOM 914 NH1 ARG A 68 35.139 -47.685 -7.516 1.00 0.00 N ATOM 915 NH2 ARG A 68 34.248 -45.742 -8.413 1.00 0.00 N ATOM 0 H ARG A 68 36.543 -45.928 0.017 1.00 0.00 H new ATOM 0 HA ARG A 68 35.648 -47.786 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 68 34.299 -45.644 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 68 35.837 -45.011 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 35.335 -47.779 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 68 34.120 -46.645 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 68 36.767 -45.447 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 68 36.752 -47.017 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 68 35.166 -44.633 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 68 35.653 -48.151 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 68 34.797 -48.223 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 34.081 -44.737 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 33.902 -46.272 -9.213 1.00 0.00 H new ATOM 928 N GLY A 69 38.121 -47.899 -2.023 1.00 0.00 N ATOM 929 CA GLY A 69 39.550 -48.019 -2.258 1.00 0.00 C ATOM 930 C GLY A 69 39.985 -49.486 -2.259 1.00 0.00 C ATOM 931 O GLY A 69 40.738 -49.914 -1.386 1.00 0.00 O ATOM 0 H GLY A 69 37.651 -48.776 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 69 39.805 -47.560 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 69 40.096 -47.475 -1.487 1.00 0.00 H new ATOM 935 N ALA A 70 39.492 -50.215 -3.249 1.00 0.00 N ATOM 936 CA ALA A 70 39.821 -51.625 -3.375 1.00 0.00 C ATOM 937 C ALA A 70 41.201 -51.767 -4.019 1.00 0.00 C ATOM 938 O ALA A 70 41.384 -51.426 -5.187 1.00 0.00 O ATOM 939 CB ALA A 70 38.728 -52.334 -4.177 1.00 0.00 C ATOM 0 H ALA A 70 38.867 -49.856 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 70 39.865 -52.098 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 70 38.974 -53.392 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 70 37.773 -52.229 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 70 38.657 -51.888 -5.169 1.00 0.00 H new ATOM 945 N TYR A 71 42.138 -52.271 -3.230 1.00 0.00 N ATOM 946 CA TYR A 71 43.497 -52.462 -3.708 1.00 0.00 C ATOM 947 C TYR A 71 43.661 -53.839 -4.355 1.00 0.00 C ATOM 948 O TYR A 71 42.995 -54.796 -3.964 1.00 0.00 O ATOM 949 CB TYR A 71 44.395 -52.382 -2.472 1.00 0.00 C ATOM 950 CG TYR A 71 44.011 -53.361 -1.360 1.00 0.00 C ATOM 951 CD1 TYR A 71 44.373 -54.689 -1.454 1.00 0.00 C ATOM 952 CD2 TYR A 71 43.303 -52.914 -0.263 1.00 0.00 C ATOM 953 CE1 TYR A 71 44.011 -55.610 -0.407 1.00 0.00 C ATOM 954 CE2 TYR A 71 42.941 -53.835 0.784 1.00 0.00 C ATOM 955 CZ TYR A 71 43.313 -55.137 0.660 1.00 0.00 C ATOM 956 OH TYR A 71 42.972 -56.007 1.648 1.00 0.00 O ATOM 0 H TYR A 71 41.983 -52.553 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 71 43.750 -51.711 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 71 45.425 -52.574 -2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 71 44.362 -51.367 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 71 44.928 -55.038 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 71 43.020 -51.874 -0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 71 44.288 -56.652 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 71 42.387 -53.499 1.648 1.00 0.00 H new ATOM 0 HH TYR A 71 42.477 -55.531 2.347 1.00 0.00 H new ATOM 966 N SER A 72 44.553 -53.895 -5.334 1.00 0.00 N ATOM 967 CA SER A 72 44.813 -55.138 -6.039 1.00 0.00 C ATOM 968 C SER A 72 45.749 -56.022 -5.212 1.00 0.00 C ATOM 969 O SER A 72 45.378 -57.128 -4.821 1.00 0.00 O ATOM 970 CB SER A 72 45.417 -54.873 -7.420 1.00 0.00 C ATOM 971 OG SER A 72 45.392 -56.034 -8.245 1.00 0.00 O ATOM 0 H SER A 72 45.104 -53.099 -5.655 1.00 0.00 H new ATOM 0 HA SER A 72 43.864 -55.655 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 72 44.866 -54.069 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 72 46.446 -54.531 -7.306 1.00 0.00 H new ATOM 0 HG SER A 72 45.784 -55.823 -9.118 1.00 0.00 H new ATOM 977 N SER A 73 46.943 -55.502 -4.971 1.00 0.00 N ATOM 978 CA SER A 73 47.934 -56.230 -4.197 1.00 0.00 C ATOM 979 C SER A 73 48.310 -57.527 -4.917 1.00 0.00 C ATOM 980 O SER A 73 47.474 -58.136 -5.583 1.00 0.00 O ATOM 981 CB SER A 73 47.419 -56.535 -2.789 1.00 0.00 C ATOM 982 OG SER A 73 48.477 -56.864 -1.893 1.00 0.00 O ATOM 0 H SER A 73 47.247 -54.585 -5.298 1.00 0.00 H new ATOM 0 HA SER A 73 48.821 -55.604 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 73 46.876 -55.671 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 46.711 -57.363 -2.833 1.00 0.00 H new ATOM 0 HG SER A 73 48.107 -57.050 -1.005 1.00 0.00 H new ATOM 988 N HIS A 74 49.568 -57.911 -4.758 1.00 0.00 N ATOM 989 CA HIS A 74 50.064 -59.125 -5.385 1.00 0.00 C ATOM 990 C HIS A 74 51.133 -59.762 -4.494 1.00 0.00 C ATOM 991 O HIS A 74 52.327 -59.618 -4.751 1.00 0.00 O ATOM 992 CB HIS A 74 50.567 -58.838 -6.801 1.00 0.00 C ATOM 993 CG HIS A 74 50.202 -59.901 -7.809 1.00 0.00 C ATOM 994 ND1 HIS A 74 51.143 -60.549 -8.591 1.00 0.00 N ATOM 995 CD2 HIS A 74 48.990 -60.423 -8.155 1.00 0.00 C ATOM 996 CE1 HIS A 74 50.514 -61.419 -9.368 1.00 0.00 C ATOM 997 NE2 HIS A 74 49.180 -61.339 -9.097 1.00 0.00 N ATOM 0 H HIS A 74 50.258 -57.404 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 74 49.251 -59.844 -5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 74 50.161 -57.882 -7.133 1.00 0.00 H new ATOM 0 HB3 HIS A 74 51.652 -58.733 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 74 48.037 -60.139 -7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 74 50.977 -62.076 -10.089 1.00 0.00 H new ATOM 0 HE2 HIS A 74 48.449 -61.892 -9.544 1.00 0.00 H new ATOM 1005 N ASP A 75 50.664 -60.453 -3.465 1.00 0.00 N ATOM 1006 CA ASP A 75 51.565 -61.113 -2.535 1.00 0.00 C ATOM 1007 C ASP A 75 50.879 -62.355 -1.963 1.00 0.00 C ATOM 1008 O ASP A 75 51.453 -63.443 -1.967 1.00 0.00 O ATOM 1009 CB ASP A 75 51.923 -60.191 -1.368 1.00 0.00 C ATOM 1010 CG ASP A 75 53.119 -60.645 -0.529 1.00 0.00 C ATOM 1011 OD1 ASP A 75 54.062 -61.265 -1.044 1.00 0.00 O ATOM 1012 OD2 ASP A 75 53.058 -60.334 0.721 1.00 0.00 O ATOM 0 H ASP A 75 49.673 -60.570 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 75 52.473 -61.380 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 75 52.131 -59.196 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 75 51.054 -60.101 -0.716 1.00 0.00 H new TER 1018 ASP A 75