USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 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+ 130:sc= 0.00543 (180deg=-0.498) 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= -0.0405 USER MOD Single : A 14 ASN : amide:sc= -0.417 K(o=-0.42,f=-2.8!) USER MOD Single : A 15 SER OG : rot 50:sc= 0.932 USER MOD Single : A 16 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-0.9) 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= -1.73 K(o=-1.7,f=-0.55) USER MOD Single : A 35 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.37) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00949 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 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.043) USER MOD Single : A 64 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-2!) USER MOD Single : A 66 GLN : amide:sc= -7.26! C(o=-7.3!,f=-6.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.493 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 -78:sc= -1.4 USER MOD Single : A 74 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.852 -19.383 13.445 1.00 0.00 N ATOM 2 CA MET A 1 -24.241 -19.138 13.095 1.00 0.00 C ATOM 3 C MET A 1 -24.701 -17.770 13.603 1.00 0.00 C ATOM 4 O MET A 1 -24.137 -17.236 14.556 1.00 0.00 O ATOM 5 CB MET A 1 -25.121 -20.232 13.703 1.00 0.00 C ATOM 6 CG MET A 1 -25.097 -20.168 15.231 1.00 0.00 C ATOM 7 SD MET A 1 -24.835 -21.799 15.906 1.00 0.00 S ATOM 8 CE MET A 1 -24.513 -21.381 17.612 1.00 0.00 C ATOM 0 H1 MET A 1 -22.767 -20.318 13.893 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.267 -19.356 12.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.527 -18.651 14.108 1.00 0.00 H new ATOM 0 HA MET A 1 -24.331 -19.150 12.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.145 -20.120 13.347 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.773 -21.210 13.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.305 -19.497 15.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.037 -19.759 15.601 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.327 -22.292 18.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.639 -20.733 17.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.377 -20.863 18.029 1.00 0.00 H new ATOM 18 N GLU A 2 -25.722 -17.243 12.943 1.00 0.00 N ATOM 19 CA GLU A 2 -26.265 -15.947 13.316 1.00 0.00 C ATOM 20 C GLU A 2 -27.132 -16.076 14.570 1.00 0.00 C ATOM 21 O GLU A 2 -27.473 -17.184 14.983 1.00 0.00 O ATOM 22 CB GLU A 2 -27.059 -15.333 12.162 1.00 0.00 C ATOM 23 CG GLU A 2 -26.303 -14.155 11.542 1.00 0.00 C ATOM 24 CD GLU A 2 -27.060 -13.590 10.338 1.00 0.00 C ATOM 25 OE1 GLU A 2 -28.234 -13.213 10.465 1.00 0.00 O ATOM 26 OE2 GLU A 2 -26.384 -13.550 9.240 1.00 0.00 O ATOM 0 H GLU A 2 -26.187 -17.689 12.153 1.00 0.00 H new ATOM 0 HA GLU A 2 -25.434 -15.277 13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -27.246 -16.091 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -28.031 -14.997 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -26.165 -13.373 12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -25.309 -14.479 11.232 1.00 0.00 H new ATOM 34 N VAL A 3 -27.464 -14.928 15.142 1.00 0.00 N ATOM 35 CA VAL A 3 -28.285 -14.898 16.340 1.00 0.00 C ATOM 36 C VAL A 3 -29.722 -15.276 15.978 1.00 0.00 C ATOM 37 O VAL A 3 -30.016 -15.579 14.823 1.00 0.00 O ATOM 38 CB VAL A 3 -28.177 -13.529 17.014 1.00 0.00 C ATOM 39 CG1 VAL A 3 -29.052 -12.496 16.300 1.00 0.00 C ATOM 40 CG2 VAL A 3 -28.536 -13.619 18.499 1.00 0.00 C ATOM 0 H VAL A 3 -27.179 -14.011 14.798 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.930 -15.630 17.065 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.141 -13.200 16.939 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.957 -11.532 16.799 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.730 -12.401 15.263 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.093 -12.819 16.329 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -28.451 -12.632 18.954 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.559 -13.981 18.605 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.854 -14.308 18.997 1.00 0.00 H new ATOM 50 N ALA A 4 -30.580 -15.244 16.988 1.00 0.00 N ATOM 51 CA ALA A 4 -31.980 -15.579 16.790 1.00 0.00 C ATOM 52 C ALA A 4 -32.644 -14.496 15.937 1.00 0.00 C ATOM 53 O ALA A 4 -32.118 -13.392 15.810 1.00 0.00 O ATOM 54 CB ALA A 4 -32.662 -15.749 18.149 1.00 0.00 C ATOM 0 H ALA A 4 -30.333 -14.991 17.945 1.00 0.00 H new ATOM 0 HA ALA A 4 -32.076 -16.524 16.256 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -33.712 -16.000 18.000 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -32.173 -16.549 18.704 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -32.588 -14.819 18.712 1.00 0.00 H new ATOM 60 N MET A 5 -33.790 -14.851 15.374 1.00 0.00 N ATOM 61 CA MET A 5 -34.531 -13.923 14.537 1.00 0.00 C ATOM 62 C MET A 5 -35.577 -13.162 15.354 1.00 0.00 C ATOM 63 O MET A 5 -36.654 -13.686 15.633 1.00 0.00 O ATOM 64 CB MET A 5 -35.224 -14.693 13.411 1.00 0.00 C ATOM 65 CG MET A 5 -34.227 -15.081 12.318 1.00 0.00 C ATOM 66 SD MET A 5 -33.890 -13.675 11.271 1.00 0.00 S ATOM 67 CE MET A 5 -33.941 -14.461 9.669 1.00 0.00 C ATOM 0 H MET A 5 -34.223 -15.768 15.481 1.00 0.00 H new ATOM 0 HA MET A 5 -33.830 -13.201 14.118 1.00 0.00 H new ATOM 0 HB2 MET A 5 -35.694 -15.590 13.815 1.00 0.00 H new ATOM 0 HB3 MET A 5 -36.019 -14.082 12.983 1.00 0.00 H new ATOM 0 HG2 MET A 5 -33.302 -15.439 12.769 1.00 0.00 H new ATOM 0 HG3 MET A 5 -34.629 -15.900 11.722 1.00 0.00 H new ATOM 0 HE1 MET A 5 -33.749 -13.719 8.894 1.00 0.00 H new ATOM 0 HE2 MET A 5 -33.180 -15.240 9.622 1.00 0.00 H new ATOM 0 HE3 MET A 5 -34.925 -14.904 9.512 1.00 0.00 H new ATOM 77 N VAL A 6 -35.222 -11.937 15.716 1.00 0.00 N ATOM 78 CA VAL A 6 -36.117 -11.099 16.495 1.00 0.00 C ATOM 79 C VAL A 6 -37.241 -10.583 15.594 1.00 0.00 C ATOM 80 O VAL A 6 -37.170 -10.711 14.373 1.00 0.00 O ATOM 81 CB VAL A 6 -35.326 -9.974 17.168 1.00 0.00 C ATOM 82 CG1 VAL A 6 -36.220 -9.160 18.105 1.00 0.00 C ATOM 83 CG2 VAL A 6 -34.111 -10.528 17.913 1.00 0.00 C ATOM 0 H VAL A 6 -34.327 -11.506 15.484 1.00 0.00 H new ATOM 0 HA VAL A 6 -36.581 -11.676 17.294 1.00 0.00 H new ATOM 0 HB VAL A 6 -34.963 -9.306 16.387 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -35.634 -8.368 18.570 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -37.038 -8.719 17.535 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -36.626 -9.812 18.878 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -33.567 -9.708 18.382 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -34.442 -11.229 18.679 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -33.456 -11.043 17.210 1.00 0.00 H new ATOM 93 N SER A 7 -38.252 -10.012 16.232 1.00 0.00 N ATOM 94 CA SER A 7 -39.389 -9.477 15.503 1.00 0.00 C ATOM 95 C SER A 7 -40.135 -10.609 14.792 1.00 0.00 C ATOM 96 O SER A 7 -39.810 -10.953 13.657 1.00 0.00 O ATOM 97 CB SER A 7 -38.947 -8.416 14.494 1.00 0.00 C ATOM 98 OG SER A 7 -38.363 -7.284 15.131 1.00 0.00 O ATOM 0 H SER A 7 -38.307 -9.908 17.245 1.00 0.00 H new ATOM 0 HA SER A 7 -40.060 -9.001 16.218 1.00 0.00 H new ATOM 0 HB2 SER A 7 -38.228 -8.852 13.800 1.00 0.00 H new ATOM 0 HB3 SER A 7 -39.806 -8.097 13.904 1.00 0.00 H new ATOM 0 HG SER A 7 -38.092 -6.630 14.453 1.00 0.00 H new ATOM 104 N ALA A 8 -41.119 -11.156 15.490 1.00 0.00 N ATOM 105 CA ALA A 8 -41.913 -12.241 14.939 1.00 0.00 C ATOM 106 C ALA A 8 -42.653 -11.746 13.695 1.00 0.00 C ATOM 107 O ALA A 8 -43.679 -11.076 13.805 1.00 0.00 O ATOM 108 CB ALA A 8 -42.866 -12.772 16.012 1.00 0.00 C ATOM 0 H ALA A 8 -41.385 -10.868 16.432 1.00 0.00 H new ATOM 0 HA ALA A 8 -41.272 -13.068 14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -43.462 -13.586 15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -42.290 -13.139 16.861 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -43.526 -11.970 16.341 1.00 0.00 H new ATOM 114 N GLU A 9 -42.104 -12.095 12.541 1.00 0.00 N ATOM 115 CA GLU A 9 -42.700 -11.694 11.278 1.00 0.00 C ATOM 116 C GLU A 9 -44.219 -11.867 11.329 1.00 0.00 C ATOM 117 O GLU A 9 -44.721 -12.799 11.955 1.00 0.00 O ATOM 118 CB GLU A 9 -42.098 -12.483 10.113 1.00 0.00 C ATOM 119 CG GLU A 9 -42.657 -11.997 8.774 1.00 0.00 C ATOM 120 CD GLU A 9 -41.528 -11.700 7.784 1.00 0.00 C ATOM 121 OE1 GLU A 9 -41.137 -10.535 7.621 1.00 0.00 O ATOM 122 OE2 GLU A 9 -41.054 -12.733 7.173 1.00 0.00 O ATOM 0 H GLU A 9 -41.253 -12.651 12.454 1.00 0.00 H new ATOM 0 HA GLU A 9 -42.479 -10.639 11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -41.013 -12.376 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -42.314 -13.544 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -43.322 -12.754 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -43.255 -11.099 8.930 1.00 0.00 H new ATOM 130 N SER A 10 -44.909 -10.953 10.662 1.00 0.00 N ATOM 131 CA SER A 10 -46.361 -10.992 10.623 1.00 0.00 C ATOM 132 C SER A 10 -46.852 -10.781 9.190 1.00 0.00 C ATOM 133 O SER A 10 -46.279 -9.990 8.443 1.00 0.00 O ATOM 134 CB SER A 10 -46.965 -9.936 11.552 1.00 0.00 C ATOM 135 OG SER A 10 -48.120 -10.421 12.232 1.00 0.00 O ATOM 0 H SER A 10 -44.489 -10.181 10.144 1.00 0.00 H new ATOM 0 HA SER A 10 -46.686 -11.972 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 10 -46.218 -9.626 12.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 -47.230 -9.052 10.972 1.00 0.00 H new ATOM 0 HG SER A 10 -48.475 -9.719 12.816 1.00 0.00 H new ATOM 141 N SER A 11 -47.910 -11.503 8.849 1.00 0.00 N ATOM 142 CA SER A 11 -48.485 -11.406 7.518 1.00 0.00 C ATOM 143 C SER A 11 -49.962 -11.020 7.613 1.00 0.00 C ATOM 144 O SER A 11 -50.798 -11.840 7.989 1.00 0.00 O ATOM 145 CB SER A 11 -48.328 -12.721 6.752 1.00 0.00 C ATOM 146 OG SER A 11 -47.822 -12.515 5.436 1.00 0.00 O ATOM 0 H SER A 11 -48.384 -12.157 9.472 1.00 0.00 H new ATOM 0 HA SER A 11 -47.948 -10.632 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 11 -47.656 -13.382 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 11 -49.293 -13.225 6.695 1.00 0.00 H new ATOM 0 HG SER A 11 -47.734 -13.378 4.980 1.00 0.00 H new ATOM 152 N GLY A 12 -50.239 -9.771 7.267 1.00 0.00 N ATOM 153 CA GLY A 12 -51.601 -9.267 7.309 1.00 0.00 C ATOM 154 C GLY A 12 -51.717 -8.082 8.269 1.00 0.00 C ATOM 155 O GLY A 12 -51.592 -8.245 9.481 1.00 0.00 O ATOM 0 H GLY A 12 -49.543 -9.093 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -51.911 -8.962 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -52.277 -10.062 7.623 1.00 0.00 H new ATOM 159 N CYS A 13 -51.956 -6.914 7.690 1.00 0.00 N ATOM 160 CA CYS A 13 -52.090 -5.701 8.479 1.00 0.00 C ATOM 161 C CYS A 13 -52.880 -4.679 7.658 1.00 0.00 C ATOM 162 O CYS A 13 -52.295 -3.814 7.009 1.00 0.00 O ATOM 163 CB CYS A 13 -50.729 -5.154 8.913 1.00 0.00 C ATOM 164 SG CYS A 13 -50.771 -4.707 10.687 1.00 0.00 S ATOM 0 H CYS A 13 -52.060 -6.782 6.684 1.00 0.00 H new ATOM 0 HA CYS A 13 -52.629 -5.922 9.400 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -49.955 -5.900 8.736 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -50.472 -4.280 8.315 1.00 0.00 H new ATOM 0 HG CYS A 13 -49.610 -4.246 11.046 1.00 0.00 H new ATOM 170 N ASN A 14 -54.197 -4.814 7.714 1.00 0.00 N ATOM 171 CA ASN A 14 -55.073 -3.914 6.984 1.00 0.00 C ATOM 172 C ASN A 14 -55.579 -2.823 7.930 1.00 0.00 C ATOM 173 O ASN A 14 -56.633 -2.234 7.697 1.00 0.00 O ATOM 174 CB ASN A 14 -56.288 -4.658 6.428 1.00 0.00 C ATOM 175 CG ASN A 14 -56.218 -4.760 4.903 1.00 0.00 C ATOM 176 OD1 ASN A 14 -55.463 -4.066 4.242 1.00 0.00 O ATOM 177 ND2 ASN A 14 -57.046 -5.662 4.383 1.00 0.00 N ATOM 0 H ASN A 14 -54.678 -5.533 8.254 1.00 0.00 H new ATOM 0 HA ASN A 14 -54.504 -3.486 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -56.336 -5.657 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -57.201 -4.139 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -57.075 -5.806 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -57.652 -6.210 4.994 1.00 0.00 H new ATOM 184 N SER A 15 -54.803 -2.587 8.978 1.00 0.00 N ATOM 185 CA SER A 15 -55.159 -1.577 9.960 1.00 0.00 C ATOM 186 C SER A 15 -53.899 -0.875 10.470 1.00 0.00 C ATOM 187 O SER A 15 -53.393 -1.202 11.543 1.00 0.00 O ATOM 188 CB SER A 15 -55.933 -2.193 11.128 1.00 0.00 C ATOM 189 OG SER A 15 -55.150 -3.143 11.845 1.00 0.00 O ATOM 0 H SER A 15 -53.929 -3.078 9.168 1.00 0.00 H new ATOM 0 HA SER A 15 -55.805 -0.844 9.477 1.00 0.00 H new ATOM 0 HB2 SER A 15 -56.255 -1.403 11.806 1.00 0.00 H new ATOM 0 HB3 SER A 15 -56.834 -2.677 10.751 1.00 0.00 H new ATOM 0 HG SER A 15 -54.282 -2.748 12.070 1.00 0.00 H new ATOM 195 N HIS A 16 -53.428 0.076 9.677 1.00 0.00 N ATOM 196 CA HIS A 16 -52.236 0.826 10.035 1.00 0.00 C ATOM 197 C HIS A 16 -51.033 -0.117 10.092 1.00 0.00 C ATOM 198 O HIS A 16 -50.742 -0.695 11.138 1.00 0.00 O ATOM 199 CB HIS A 16 -52.450 1.595 11.341 1.00 0.00 C ATOM 200 CG HIS A 16 -51.171 1.939 12.066 1.00 0.00 C ATOM 201 ND1 HIS A 16 -50.719 1.232 13.167 1.00 0.00 N ATOM 202 CD2 HIS A 16 -50.253 2.922 11.837 1.00 0.00 C ATOM 203 CE1 HIS A 16 -49.581 1.774 13.574 1.00 0.00 C ATOM 204 NE2 HIS A 16 -49.294 2.822 12.749 1.00 0.00 N ATOM 0 H HIS A 16 -53.850 0.344 8.788 1.00 0.00 H new ATOM 0 HA HIS A 16 -52.030 1.575 9.270 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -52.992 2.516 11.124 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -53.082 1.001 12.001 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -50.299 3.657 11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -48.985 1.444 14.412 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -48.477 3.429 12.821 1.00 0.00 H new ATOM 212 N MET A 17 -50.367 -0.244 8.954 1.00 0.00 N ATOM 213 CA MET A 17 -49.203 -1.108 8.861 1.00 0.00 C ATOM 214 C MET A 17 -48.326 -0.982 10.108 1.00 0.00 C ATOM 215 O MET A 17 -48.385 0.023 10.814 1.00 0.00 O ATOM 216 CB MET A 17 -48.386 -0.732 7.622 1.00 0.00 C ATOM 217 CG MET A 17 -48.522 -1.797 6.532 1.00 0.00 C ATOM 218 SD MET A 17 -47.130 -1.712 5.419 1.00 0.00 S ATOM 219 CE MET A 17 -47.839 -0.728 4.109 1.00 0.00 C ATOM 0 H MET A 17 -50.611 0.237 8.088 1.00 0.00 H new ATOM 0 HA MET A 17 -49.545 -2.140 8.783 1.00 0.00 H new ATOM 0 HB2 MET A 17 -48.723 0.231 7.238 1.00 0.00 H new ATOM 0 HB3 MET A 17 -47.337 -0.617 7.895 1.00 0.00 H new ATOM 0 HG2 MET A 17 -48.577 -2.787 6.984 1.00 0.00 H new ATOM 0 HG3 MET A 17 -49.450 -1.647 5.980 1.00 0.00 H new ATOM 0 HE1 MET A 17 -47.097 -0.578 3.324 1.00 0.00 H new ATOM 0 HE2 MET A 17 -48.706 -1.243 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 17 -48.147 0.239 4.506 1.00 0.00 H new ATOM 229 N PRO A 18 -47.511 -2.045 10.348 1.00 0.00 N ATOM 230 CA PRO A 18 -46.623 -2.063 11.498 1.00 0.00 C ATOM 231 C PRO A 18 -45.419 -1.146 11.275 1.00 0.00 C ATOM 232 O PRO A 18 -45.250 -0.589 10.191 1.00 0.00 O ATOM 233 CB PRO A 18 -46.235 -3.522 11.672 1.00 0.00 C ATOM 234 CG PRO A 18 -46.542 -4.196 10.345 1.00 0.00 C ATOM 235 CD PRO A 18 -47.414 -3.252 9.533 1.00 0.00 C ATOM 0 HA PRO A 18 -47.097 -1.680 12.402 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -45.179 -3.618 11.924 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.799 -3.982 12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -45.620 -4.420 9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -47.055 -5.144 10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -46.969 -3.039 8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -48.397 -3.684 9.346 1.00 0.00 H new ATOM 243 N TYR A 19 -44.613 -1.017 12.319 1.00 0.00 N ATOM 244 CA TYR A 19 -43.430 -0.177 12.251 1.00 0.00 C ATOM 245 C TYR A 19 -42.399 -0.759 11.282 1.00 0.00 C ATOM 246 O TYR A 19 -42.428 -1.951 10.982 1.00 0.00 O ATOM 247 CB TYR A 19 -42.838 -0.168 13.662 1.00 0.00 C ATOM 248 CG TYR A 19 -43.617 0.693 14.658 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.724 0.176 15.299 1.00 0.00 C ATOM 250 CD2 TYR A 19 -43.212 1.987 14.917 1.00 0.00 C ATOM 251 CE1 TYR A 19 -45.457 0.986 16.237 1.00 0.00 C ATOM 252 CE2 TYR A 19 -43.945 2.797 15.855 1.00 0.00 C ATOM 253 CZ TYR A 19 -45.031 2.257 16.468 1.00 0.00 C ATOM 254 OH TYR A 19 -45.724 3.022 17.354 1.00 0.00 O ATOM 0 H TYR A 19 -44.756 -1.480 13.216 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.688 0.822 11.899 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.799 -1.191 14.035 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.811 0.192 13.612 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -45.041 -0.837 15.097 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.345 2.392 14.416 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -46.325 0.593 16.746 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -43.639 3.811 16.067 1.00 0.00 H new ATOM 0 HH TYR A 19 -45.306 3.906 17.420 1.00 0.00 H new ATOM 264 N GLY A 20 -41.513 0.110 10.819 1.00 0.00 N ATOM 265 CA GLY A 20 -40.475 -0.303 9.889 1.00 0.00 C ATOM 266 C GLY A 20 -39.302 0.680 9.906 1.00 0.00 C ATOM 267 O GLY A 20 -38.519 0.702 10.854 1.00 0.00 O ATOM 0 H GLY A 20 -41.492 1.098 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.122 -1.300 10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.888 -0.365 8.882 1.00 0.00 H new ATOM 271 N TYR A 21 -39.217 1.468 8.844 1.00 0.00 N ATOM 272 CA TYR A 21 -38.153 2.450 8.725 1.00 0.00 C ATOM 273 C TYR A 21 -37.979 3.232 10.028 1.00 0.00 C ATOM 274 O TYR A 21 -36.862 3.592 10.396 1.00 0.00 O ATOM 275 CB TYR A 21 -38.591 3.415 7.621 1.00 0.00 C ATOM 276 CG TYR A 21 -37.434 4.147 6.938 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.605 4.967 7.676 1.00 0.00 C ATOM 278 CD2 TYR A 21 -37.218 3.986 5.584 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.516 5.656 7.034 1.00 0.00 C ATOM 280 CE2 TYR A 21 -36.129 4.676 4.942 1.00 0.00 C ATOM 281 CZ TYR A 21 -35.332 5.476 5.699 1.00 0.00 C ATOM 282 OH TYR A 21 -34.303 6.127 5.092 1.00 0.00 O ATOM 0 H TYR A 21 -39.867 1.446 8.059 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.204 1.962 8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -39.151 2.860 6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -39.273 4.152 8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -36.773 5.092 8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.865 3.343 5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -34.860 6.301 7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -35.950 4.561 3.883 1.00 0.00 H new ATOM 0 HH TYR A 21 -34.292 5.904 4.138 1.00 0.00 H new ATOM 292 N ALA A 22 -39.100 3.471 10.692 1.00 0.00 N ATOM 293 CA ALA A 22 -39.086 4.203 11.947 1.00 0.00 C ATOM 294 C ALA A 22 -38.360 3.373 13.008 1.00 0.00 C ATOM 295 O ALA A 22 -37.568 3.907 13.783 1.00 0.00 O ATOM 296 CB ALA A 22 -40.520 4.545 12.355 1.00 0.00 C ATOM 0 H ALA A 22 -40.025 3.170 10.384 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.546 5.143 11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.509 5.094 13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.982 5.159 11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.092 3.626 12.478 1.00 0.00 H new ATOM 302 N ALA A 23 -38.657 2.082 13.009 1.00 0.00 N ATOM 303 CA ALA A 23 -38.042 1.174 13.962 1.00 0.00 C ATOM 304 C ALA A 23 -36.600 0.894 13.536 1.00 0.00 C ATOM 305 O ALA A 23 -35.856 0.224 14.252 1.00 0.00 O ATOM 306 CB ALA A 23 -38.879 -0.103 14.062 1.00 0.00 C ATOM 0 H ALA A 23 -39.315 1.643 12.365 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.011 1.623 14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.418 -0.785 14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.886 0.147 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.930 -0.582 13.084 1.00 0.00 H new ATOM 312 N GLN A 24 -36.248 1.420 12.372 1.00 0.00 N ATOM 313 CA GLN A 24 -34.907 1.235 11.842 1.00 0.00 C ATOM 314 C GLN A 24 -33.979 2.340 12.350 1.00 0.00 C ATOM 315 O GLN A 24 -32.788 2.345 12.042 1.00 0.00 O ATOM 316 CB GLN A 24 -34.923 1.191 10.313 1.00 0.00 C ATOM 317 CG GLN A 24 -34.728 -0.238 9.803 1.00 0.00 C ATOM 318 CD GLN A 24 -33.244 -0.546 9.591 1.00 0.00 C ATOM 319 OE1 GLN A 24 -32.632 -0.138 8.618 1.00 0.00 O ATOM 320 NE2 GLN A 24 -32.703 -1.287 10.554 1.00 0.00 N ATOM 0 H GLN A 24 -36.868 1.974 11.781 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.526 0.277 12.196 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.869 1.586 9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.135 1.832 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -35.151 -0.944 10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.268 -0.370 8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.273 -1.595 11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -31.718 -1.547 10.505 1.00 0.00 H new ATOM 329 N ALA A 25 -34.559 3.250 13.119 1.00 0.00 N ATOM 330 CA ALA A 25 -33.798 4.357 13.672 1.00 0.00 C ATOM 331 C ALA A 25 -32.684 3.809 14.565 1.00 0.00 C ATOM 332 O ALA A 25 -31.703 4.501 14.835 1.00 0.00 O ATOM 333 CB ALA A 25 -34.741 5.298 14.425 1.00 0.00 C ATOM 0 H ALA A 25 -35.547 3.243 13.372 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.327 4.935 12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.171 6.129 14.840 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.495 5.683 13.739 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.230 4.754 15.233 1.00 0.00 H new ATOM 339 N ARG A 26 -32.872 2.572 15.000 1.00 0.00 N ATOM 340 CA ARG A 26 -31.895 1.923 15.858 1.00 0.00 C ATOM 341 C ARG A 26 -30.643 1.560 15.057 1.00 0.00 C ATOM 342 O ARG A 26 -29.538 1.549 15.597 1.00 0.00 O ATOM 343 CB ARG A 26 -32.473 0.655 16.490 1.00 0.00 C ATOM 344 CG ARG A 26 -32.049 0.530 17.954 1.00 0.00 C ATOM 345 CD ARG A 26 -31.466 -0.855 18.241 1.00 0.00 C ATOM 346 NE ARG A 26 -30.314 -0.740 19.162 1.00 0.00 N ATOM 347 CZ ARG A 26 -30.426 -0.592 20.499 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.642 -0.540 21.083 1.00 0.00 N ATOM 349 NH2 ARG A 26 -29.329 -0.498 21.227 1.00 0.00 N ATOM 0 H ARG A 26 -33.687 2.001 14.774 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.633 2.624 16.651 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.561 0.674 16.423 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.135 -0.219 15.934 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.309 1.295 18.188 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.908 0.708 18.601 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -32.230 -1.496 18.680 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -31.152 -1.326 17.310 1.00 0.00 H new ATOM 0 HE ARG A 26 -29.376 -0.775 18.762 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -32.485 -0.613 20.513 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -31.718 -0.428 22.094 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -28.414 -0.538 20.778 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -29.396 -0.386 22.239 1.00 0.00 H new ATOM 362 N ALA A 27 -30.858 1.273 13.781 1.00 0.00 N ATOM 363 CA ALA A 27 -29.761 0.911 12.900 1.00 0.00 C ATOM 364 C ALA A 27 -28.891 2.144 12.643 1.00 0.00 C ATOM 365 O ALA A 27 -27.684 2.024 12.441 1.00 0.00 O ATOM 366 CB ALA A 27 -30.320 0.312 11.608 1.00 0.00 C ATOM 0 H ALA A 27 -31.776 1.284 13.337 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.130 0.153 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.497 0.040 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.905 -0.577 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.956 1.045 11.113 1.00 0.00 H new ATOM 372 N ARG A 28 -29.539 3.299 12.659 1.00 0.00 N ATOM 373 CA ARG A 28 -28.840 4.552 12.431 1.00 0.00 C ATOM 374 C ARG A 28 -27.786 4.778 13.517 1.00 0.00 C ATOM 375 O ARG A 28 -26.752 5.395 13.265 1.00 0.00 O ATOM 376 CB ARG A 28 -29.813 5.733 12.421 1.00 0.00 C ATOM 377 CG ARG A 28 -29.466 6.721 11.306 1.00 0.00 C ATOM 378 CD ARG A 28 -30.264 8.018 11.454 1.00 0.00 C ATOM 379 NE ARG A 28 -31.592 7.870 10.817 1.00 0.00 N ATOM 380 CZ ARG A 28 -32.622 8.722 11.008 1.00 0.00 C ATOM 381 NH1 ARG A 28 -32.485 9.790 11.821 1.00 0.00 N ATOM 382 NH2 ARG A 28 -33.764 8.493 10.388 1.00 0.00 N ATOM 0 H ARG A 28 -30.541 3.394 12.826 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.355 4.487 11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.831 5.369 12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.783 6.242 13.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.399 6.942 11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.676 6.269 10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.383 8.263 12.509 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -29.721 8.844 10.994 1.00 0.00 H new ATOM 0 HE ARG A 28 -31.738 7.075 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -31.599 9.959 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -33.268 10.429 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -33.858 7.683 9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -34.552 9.126 10.521 1.00 0.00 H new ATOM 395 N GLU A 29 -28.085 4.266 14.702 1.00 0.00 N ATOM 396 CA GLU A 29 -27.176 4.404 15.827 1.00 0.00 C ATOM 397 C GLU A 29 -26.065 3.355 15.744 1.00 0.00 C ATOM 398 O GLU A 29 -24.977 3.554 16.282 1.00 0.00 O ATOM 399 CB GLU A 29 -27.929 4.302 17.155 1.00 0.00 C ATOM 400 CG GLU A 29 -27.042 4.740 18.323 1.00 0.00 C ATOM 401 CD GLU A 29 -27.738 4.491 19.663 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.592 5.290 20.076 1.00 0.00 O ATOM 403 OE2 GLU A 29 -27.364 3.422 20.281 1.00 0.00 O ATOM 0 H GLU A 29 -28.944 3.755 14.907 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.719 5.392 15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.823 4.925 17.119 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -28.261 3.276 17.311 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.099 4.195 18.292 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -26.802 5.799 18.225 1.00 0.00 H new ATOM 411 N ARG A 30 -26.378 2.261 15.066 1.00 0.00 N ATOM 412 CA ARG A 30 -25.420 1.180 14.906 1.00 0.00 C ATOM 413 C ARG A 30 -24.589 1.391 13.639 1.00 0.00 C ATOM 414 O ARG A 30 -23.439 0.959 13.568 1.00 0.00 O ATOM 415 CB ARG A 30 -26.127 -0.175 14.824 1.00 0.00 C ATOM 416 CG ARG A 30 -26.172 -0.853 16.195 1.00 0.00 C ATOM 417 CD ARG A 30 -27.455 -1.671 16.360 1.00 0.00 C ATOM 418 NE ARG A 30 -27.136 -3.009 16.903 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.760 -4.063 16.148 1.00 0.00 C ATOM 420 NH1 ARG A 30 -26.653 -3.942 14.808 1.00 0.00 N ATOM 421 NH2 ARG A 30 -26.499 -5.214 16.740 1.00 0.00 N ATOM 0 H ARG A 30 -27.282 2.100 14.621 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.767 1.184 15.778 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.141 -0.038 14.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.608 -0.818 14.113 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.305 -1.503 16.312 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.114 -0.099 16.980 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -28.143 -1.153 17.028 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -27.959 -1.770 15.399 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.204 -3.144 17.912 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.857 -3.049 14.359 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -26.368 -4.743 14.245 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.583 -5.297 17.753 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.214 -6.020 16.184 1.00 0.00 H new ATOM 434 N GLU A 31 -25.202 2.057 12.671 1.00 0.00 N ATOM 435 CA GLU A 31 -24.532 2.331 11.411 1.00 0.00 C ATOM 436 C GLU A 31 -23.405 3.344 11.618 1.00 0.00 C ATOM 437 O GLU A 31 -22.432 3.358 10.866 1.00 0.00 O ATOM 438 CB GLU A 31 -25.527 2.825 10.358 1.00 0.00 C ATOM 439 CG GLU A 31 -25.712 1.786 9.250 1.00 0.00 C ATOM 440 CD GLU A 31 -26.657 2.305 8.165 1.00 0.00 C ATOM 441 OE1 GLU A 31 -27.688 1.674 7.886 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.290 3.407 7.603 1.00 0.00 O ATOM 0 H GLU A 31 -26.155 2.415 12.734 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.096 1.402 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.487 3.034 10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.172 3.762 9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.745 1.543 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.110 0.864 9.674 1.00 0.00 H new ATOM 450 N ARG A 32 -23.574 4.168 12.643 1.00 0.00 N ATOM 451 CA ARG A 32 -22.582 5.182 12.958 1.00 0.00 C ATOM 452 C ARG A 32 -21.229 4.530 13.249 1.00 0.00 C ATOM 453 O ARG A 32 -20.183 5.125 12.999 1.00 0.00 O ATOM 454 CB ARG A 32 -23.011 6.013 14.169 1.00 0.00 C ATOM 455 CG ARG A 32 -22.179 7.293 14.278 1.00 0.00 C ATOM 456 CD ARG A 32 -23.067 8.534 14.171 1.00 0.00 C ATOM 457 NE ARG A 32 -23.164 9.202 15.488 1.00 0.00 N ATOM 458 CZ ARG A 32 -23.507 10.497 15.657 1.00 0.00 C ATOM 459 NH1 ARG A 32 -23.789 11.276 14.591 1.00 0.00 N ATOM 460 NH2 ARG A 32 -23.562 10.991 16.880 1.00 0.00 N ATOM 0 H ARG A 32 -24.382 4.154 13.265 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.493 5.839 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.067 6.268 14.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.898 5.423 15.078 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.645 7.304 15.228 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.427 7.310 13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.655 9.223 13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.061 8.251 13.823 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.959 8.649 16.320 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.744 10.887 13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -24.047 12.253 14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -23.347 10.396 17.680 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.819 11.967 17.025 1.00 0.00 H new ATOM 473 N LEU A 33 -21.295 3.314 13.774 1.00 0.00 N ATOM 474 CA LEU A 33 -20.088 2.575 14.101 1.00 0.00 C ATOM 475 C LEU A 33 -19.659 1.745 12.890 1.00 0.00 C ATOM 476 O LEU A 33 -18.538 1.240 12.844 1.00 0.00 O ATOM 477 CB LEU A 33 -20.295 1.747 15.371 1.00 0.00 C ATOM 478 CG LEU A 33 -19.268 1.960 16.486 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.929 1.875 17.863 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.100 0.983 16.349 1.00 0.00 C ATOM 0 H LEU A 33 -22.165 2.823 13.980 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.270 3.261 14.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.285 1.970 15.769 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.291 0.692 15.098 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.859 2.966 16.387 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.178 2.030 18.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.698 2.643 17.945 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.383 0.892 17.989 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.385 1.156 17.153 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.472 -0.040 16.408 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.609 1.136 15.388 1.00 0.00 H new ATOM 492 N ALA A 34 -20.573 1.629 11.938 1.00 0.00 N ATOM 493 CA ALA A 34 -20.304 0.869 10.729 1.00 0.00 C ATOM 494 C ALA A 34 -19.525 1.744 9.745 1.00 0.00 C ATOM 495 O ALA A 34 -19.263 1.332 8.616 1.00 0.00 O ATOM 496 CB ALA A 34 -21.621 0.361 10.141 1.00 0.00 C ATOM 0 H ALA A 34 -21.502 2.049 11.979 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.690 -0.003 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.419 -0.209 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.121 -0.279 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.263 1.208 9.901 1.00 0.00 H new ATOM 502 N HIS A 35 -19.177 2.935 10.209 1.00 0.00 N ATOM 503 CA HIS A 35 -18.433 3.872 9.384 1.00 0.00 C ATOM 504 C HIS A 35 -16.932 3.659 9.591 1.00 0.00 C ATOM 505 O HIS A 35 -16.117 4.183 8.833 1.00 0.00 O ATOM 506 CB HIS A 35 -18.872 5.310 9.664 1.00 0.00 C ATOM 507 CG HIS A 35 -18.511 6.287 8.570 1.00 0.00 C ATOM 508 ND1 HIS A 35 -18.658 5.994 7.226 1.00 0.00 N ATOM 509 CD2 HIS A 35 -18.009 7.553 8.636 1.00 0.00 C ATOM 510 CE1 HIS A 35 -18.259 7.044 6.523 1.00 0.00 C ATOM 511 NE2 HIS A 35 -17.857 8.009 7.399 1.00 0.00 N ATOM 0 H HIS A 35 -19.396 3.273 11.146 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.649 3.686 8.332 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.952 5.327 9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.418 5.642 10.598 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -17.775 8.093 9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -18.253 7.122 5.446 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -17.499 8.930 7.145 1.00 0.00 H new ATOM 519 N SER A 36 -16.613 2.888 10.620 1.00 0.00 N ATOM 520 CA SER A 36 -15.224 2.600 10.936 1.00 0.00 C ATOM 521 C SER A 36 -14.771 1.338 10.199 1.00 0.00 C ATOM 522 O SER A 36 -13.575 1.114 10.023 1.00 0.00 O ATOM 523 CB SER A 36 -15.026 2.433 12.444 1.00 0.00 C ATOM 524 OG SER A 36 -13.948 3.228 12.932 1.00 0.00 O ATOM 0 H SER A 36 -17.292 2.454 11.245 1.00 0.00 H new ATOM 0 HA SER A 36 -14.616 3.443 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.944 2.709 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.835 1.384 12.671 1.00 0.00 H new ATOM 0 HG SER A 36 -13.855 3.095 13.898 1.00 0.00 H new ATOM 530 N ARG A 37 -15.752 0.547 9.789 1.00 0.00 N ATOM 531 CA ARG A 37 -15.469 -0.687 9.075 1.00 0.00 C ATOM 532 C ARG A 37 -15.416 -0.428 7.568 1.00 0.00 C ATOM 533 O ARG A 37 -15.407 -1.366 6.773 1.00 0.00 O ATOM 534 CB ARG A 37 -16.531 -1.748 9.366 1.00 0.00 C ATOM 535 CG ARG A 37 -15.891 -3.121 9.579 1.00 0.00 C ATOM 536 CD ARG A 37 -16.595 -3.886 10.702 1.00 0.00 C ATOM 537 NE ARG A 37 -15.755 -3.884 11.920 1.00 0.00 N ATOM 538 CZ ARG A 37 -14.594 -4.562 12.040 1.00 0.00 C ATOM 539 NH1 ARG A 37 -14.124 -5.304 11.015 1.00 0.00 N ATOM 540 NH2 ARG A 37 -13.925 -4.489 13.176 1.00 0.00 N ATOM 0 H ARG A 37 -16.743 0.736 9.937 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.502 -1.054 9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.098 -1.466 10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.238 -1.797 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.941 -3.697 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.835 -3.000 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.561 -3.428 10.916 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.791 -4.911 10.387 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.073 -3.336 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.647 -5.356 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.246 -5.813 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.287 -3.927 13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.046 -4.995 13.284 1.00 0.00 H new ATOM 553 N ALA A 38 -15.382 0.851 7.220 1.00 0.00 N ATOM 554 CA ALA A 38 -15.331 1.245 5.823 1.00 0.00 C ATOM 555 C ALA A 38 -14.067 0.669 5.181 1.00 0.00 C ATOM 556 O ALA A 38 -14.148 -0.133 4.252 1.00 0.00 O ATOM 557 CB ALA A 38 -15.395 2.770 5.720 1.00 0.00 C ATOM 0 H ALA A 38 -15.389 1.627 7.882 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.188 0.846 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.357 3.066 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.325 3.126 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.549 3.206 6.251 1.00 0.00 H new ATOM 563 N ALA A 39 -12.928 1.102 5.702 1.00 0.00 N ATOM 564 CA ALA A 39 -11.649 0.640 5.191 1.00 0.00 C ATOM 565 C ALA A 39 -11.540 -0.873 5.393 1.00 0.00 C ATOM 566 O ALA A 39 -11.199 -1.335 6.480 1.00 0.00 O ATOM 567 CB ALA A 39 -10.517 1.402 5.884 1.00 0.00 C ATOM 0 H ALA A 39 -12.865 1.767 6.472 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.570 0.837 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.557 1.055 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.623 2.469 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.564 1.225 6.959 1.00 0.00 H new ATOM 573 N ALA A 40 -11.838 -1.602 4.327 1.00 0.00 N ATOM 574 CA ALA A 40 -11.779 -3.053 4.373 1.00 0.00 C ATOM 575 C ALA A 40 -10.318 -3.502 4.295 1.00 0.00 C ATOM 576 O ALA A 40 -9.774 -4.029 5.264 1.00 0.00 O ATOM 577 CB ALA A 40 -12.629 -3.635 3.242 1.00 0.00 C ATOM 0 H ALA A 40 -12.121 -1.215 3.427 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.189 -3.424 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.585 -4.724 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.663 -3.310 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.246 -3.287 2.283 1.00 0.00 H new ATOM 583 N ALA A 41 -9.725 -3.278 3.132 1.00 0.00 N ATOM 584 CA ALA A 41 -8.338 -3.652 2.915 1.00 0.00 C ATOM 585 C ALA A 41 -7.531 -3.362 4.182 1.00 0.00 C ATOM 586 O ALA A 41 -7.118 -2.226 4.412 1.00 0.00 O ATOM 587 CB ALA A 41 -7.793 -2.909 1.693 1.00 0.00 C ATOM 0 H ALA A 41 -10.180 -2.842 2.330 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.257 -4.719 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.752 -3.190 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.381 -3.173 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.856 -1.834 1.863 1.00 0.00 H new ATOM 593 N ALA A 42 -7.331 -4.408 4.970 1.00 0.00 N ATOM 594 CA ALA A 42 -6.581 -4.279 6.208 1.00 0.00 C ATOM 595 C ALA A 42 -5.140 -4.740 5.977 1.00 0.00 C ATOM 596 O ALA A 42 -4.230 -3.918 5.881 1.00 0.00 O ATOM 597 CB ALA A 42 -7.278 -5.076 7.313 1.00 0.00 C ATOM 0 H ALA A 42 -7.675 -5.348 4.775 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.547 -3.238 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.715 -4.979 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.287 -4.691 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.329 -6.127 7.027 1.00 0.00 H new ATOM 603 N ALA A 43 -4.979 -6.052 5.894 1.00 0.00 N ATOM 604 CA ALA A 43 -3.664 -6.632 5.676 1.00 0.00 C ATOM 605 C ALA A 43 -3.038 -6.009 4.427 1.00 0.00 C ATOM 606 O ALA A 43 -1.822 -6.064 4.245 1.00 0.00 O ATOM 607 CB ALA A 43 -3.789 -8.153 5.568 1.00 0.00 C ATOM 0 H ALA A 43 -5.737 -6.730 5.974 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.005 -6.418 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.803 -8.588 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.212 -8.550 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.441 -8.406 4.732 1.00 0.00 H new ATOM 613 N VAL A 44 -3.895 -5.429 3.600 1.00 0.00 N ATOM 614 CA VAL A 44 -3.441 -4.796 2.374 1.00 0.00 C ATOM 615 C VAL A 44 -3.121 -3.326 2.652 1.00 0.00 C ATOM 616 O VAL A 44 -2.250 -2.744 2.008 1.00 0.00 O ATOM 617 CB VAL A 44 -4.484 -4.982 1.270 1.00 0.00 C ATOM 618 CG1 VAL A 44 -4.684 -3.688 0.480 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.101 -6.137 0.343 1.00 0.00 C ATOM 0 H VAL A 44 -4.902 -5.384 3.755 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.524 -5.267 2.019 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.432 -5.234 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.430 -3.848 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.024 -2.900 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.740 -3.392 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.859 -6.248 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.136 -5.928 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.034 -7.060 0.920 1.00 0.00 H new ATOM 629 N ALA A 45 -3.843 -2.768 3.612 1.00 0.00 N ATOM 630 CA ALA A 45 -3.648 -1.377 3.984 1.00 0.00 C ATOM 631 C ALA A 45 -2.151 -1.059 3.982 1.00 0.00 C ATOM 632 O ALA A 45 -1.744 0.024 3.565 1.00 0.00 O ATOM 633 CB ALA A 45 -4.298 -1.115 5.344 1.00 0.00 C ATOM 0 H ALA A 45 -4.565 -3.254 4.144 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.127 -0.716 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.151 -0.071 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.365 -1.328 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.841 -1.759 6.096 1.00 0.00 H new ATOM 639 N ALA A 46 -1.373 -2.022 4.454 1.00 0.00 N ATOM 640 CA ALA A 46 0.069 -1.858 4.513 1.00 0.00 C ATOM 641 C ALA A 46 0.688 -2.357 3.205 1.00 0.00 C ATOM 642 O ALA A 46 1.159 -1.562 2.394 1.00 0.00 O ATOM 643 CB ALA A 46 0.618 -2.595 5.736 1.00 0.00 C ATOM 0 H ALA A 46 -1.715 -2.919 4.799 1.00 0.00 H new ATOM 0 HA ALA A 46 0.331 -0.806 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.700 -2.472 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.169 -2.184 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.377 -3.655 5.661 1.00 0.00 H new ATOM 649 N ALA A 47 0.666 -3.672 3.042 1.00 0.00 N ATOM 650 CA ALA A 47 1.219 -4.287 1.847 1.00 0.00 C ATOM 651 C ALA A 47 0.214 -4.159 0.701 1.00 0.00 C ATOM 652 O ALA A 47 -0.854 -4.768 0.736 1.00 0.00 O ATOM 653 CB ALA A 47 1.583 -5.743 2.144 1.00 0.00 C ATOM 0 H ALA A 47 0.274 -4.328 3.717 1.00 0.00 H new ATOM 0 HA ALA A 47 2.133 -3.778 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.998 -6.204 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.322 -5.777 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.689 -6.286 2.451 1.00 0.00 H new ATOM 659 N THR A 48 0.592 -3.363 -0.288 1.00 0.00 N ATOM 660 CA THR A 48 -0.263 -3.147 -1.443 1.00 0.00 C ATOM 661 C THR A 48 -1.001 -4.436 -1.809 1.00 0.00 C ATOM 662 O THR A 48 -0.527 -5.532 -1.514 1.00 0.00 O ATOM 663 CB THR A 48 0.605 -2.601 -2.579 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.323 -2.328 -3.625 1.00 0.00 O ATOM 665 CG2 THR A 48 1.531 -3.665 -3.171 1.00 0.00 C ATOM 0 H THR A 48 1.479 -2.860 -0.314 1.00 0.00 H new ATOM 0 HA THR A 48 -1.040 -2.414 -1.227 1.00 0.00 H new ATOM 0 HB THR A 48 1.200 -1.765 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.155 -1.968 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.125 -3.226 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.195 -4.043 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.934 -4.486 -3.569 1.00 0.00 H new ATOM 673 N ALA A 49 -2.151 -4.263 -2.445 1.00 0.00 N ATOM 674 CA ALA A 49 -2.959 -5.399 -2.853 1.00 0.00 C ATOM 675 C ALA A 49 -2.058 -6.457 -3.492 1.00 0.00 C ATOM 676 O ALA A 49 -1.134 -6.125 -4.234 1.00 0.00 O ATOM 677 CB ALA A 49 -4.064 -4.925 -3.800 1.00 0.00 C ATOM 0 H ALA A 49 -2.542 -3.353 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.443 -5.856 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.671 -5.777 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.693 -4.196 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.616 -4.463 -4.680 1.00 0.00 H new ATOM 683 N ALA A 50 -2.357 -7.710 -3.182 1.00 0.00 N ATOM 684 CA ALA A 50 -1.586 -8.819 -3.716 1.00 0.00 C ATOM 685 C ALA A 50 -2.126 -9.191 -5.098 1.00 0.00 C ATOM 686 O ALA A 50 -2.396 -10.360 -5.369 1.00 0.00 O ATOM 687 CB ALA A 50 -1.633 -9.993 -2.736 1.00 0.00 C ATOM 0 H ALA A 50 -3.124 -7.982 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.540 -8.537 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.054 -10.825 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.211 -9.685 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.667 -10.306 -2.593 1.00 0.00 H new ATOM 693 N VAL A 51 -2.268 -8.174 -5.936 1.00 0.00 N ATOM 694 CA VAL A 51 -2.771 -8.379 -7.284 1.00 0.00 C ATOM 695 C VAL A 51 -2.150 -7.340 -8.219 1.00 0.00 C ATOM 696 O VAL A 51 -2.859 -6.513 -8.791 1.00 0.00 O ATOM 697 CB VAL A 51 -4.301 -8.345 -7.282 1.00 0.00 C ATOM 698 CG1 VAL A 51 -4.856 -8.582 -8.688 1.00 0.00 C ATOM 699 CG2 VAL A 51 -4.871 -9.358 -6.289 1.00 0.00 C ATOM 0 H VAL A 51 -2.043 -7.206 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.482 -9.362 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.614 -7.351 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.945 -8.553 -8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.490 -7.805 -9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.529 -9.557 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.960 -9.313 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.545 -10.361 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.515 -9.124 -5.286 1.00 0.00 H new ATOM 709 N GLU A 52 -0.834 -7.416 -8.346 1.00 0.00 N ATOM 710 CA GLU A 52 -0.110 -6.493 -9.203 1.00 0.00 C ATOM 711 C GLU A 52 -0.101 -7.002 -10.645 1.00 0.00 C ATOM 712 O GLU A 52 -0.306 -8.190 -10.889 1.00 0.00 O ATOM 713 CB GLU A 52 1.315 -6.272 -8.691 1.00 0.00 C ATOM 714 CG GLU A 52 1.857 -4.915 -9.144 1.00 0.00 C ATOM 715 CD GLU A 52 3.111 -4.534 -8.355 1.00 0.00 C ATOM 716 OE1 GLU A 52 3.008 -3.887 -7.302 1.00 0.00 O ATOM 717 OE2 GLU A 52 4.223 -4.936 -8.870 1.00 0.00 O ATOM 0 H GLU A 52 -0.250 -8.103 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.622 -5.531 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.327 -6.327 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.964 -7.067 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.089 -4.949 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.092 -4.150 -9.009 1.00 0.00 H new ATOM 725 N GLY A 53 0.138 -6.077 -11.564 1.00 0.00 N ATOM 726 CA GLY A 53 0.176 -6.418 -12.976 1.00 0.00 C ATOM 727 C GLY A 53 1.566 -6.167 -13.563 1.00 0.00 C ATOM 728 O GLY A 53 2.424 -7.048 -13.536 1.00 0.00 O ATOM 0 H GLY A 53 0.307 -5.092 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.095 -7.465 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.563 -5.827 -13.517 1.00 0.00 H new ATOM 732 N THR A 54 1.746 -4.961 -14.082 1.00 0.00 N ATOM 733 CA THR A 54 3.018 -4.583 -14.675 1.00 0.00 C ATOM 734 C THR A 54 3.641 -3.419 -13.903 1.00 0.00 C ATOM 735 O THR A 54 2.931 -2.537 -13.422 1.00 0.00 O ATOM 736 CB THR A 54 2.776 -4.272 -16.153 1.00 0.00 C ATOM 737 OG1 THR A 54 4.075 -3.988 -16.665 1.00 0.00 O ATOM 738 CG2 THR A 54 2.002 -2.968 -16.358 1.00 0.00 C ATOM 0 H THR A 54 1.032 -4.233 -14.104 1.00 0.00 H new ATOM 0 HA THR A 54 3.741 -5.396 -14.613 1.00 0.00 H new ATOM 0 HB THR A 54 2.229 -5.095 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.011 -3.777 -17.620 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.857 -2.795 -17.424 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.031 -3.040 -15.867 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.565 -2.139 -15.929 1.00 0.00 H new ATOM 746 N GLY A 55 4.962 -3.453 -13.808 1.00 0.00 N ATOM 747 CA GLY A 55 5.690 -2.412 -13.103 1.00 0.00 C ATOM 748 C GLY A 55 6.448 -1.513 -14.082 1.00 0.00 C ATOM 749 O GLY A 55 6.103 -0.345 -14.252 1.00 0.00 O ATOM 0 H GLY A 55 5.548 -4.186 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.995 -1.812 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.391 -2.865 -12.402 1.00 0.00 H new ATOM 753 N GLY A 56 7.466 -2.093 -14.700 1.00 0.00 N ATOM 754 CA GLY A 56 8.276 -1.359 -15.658 1.00 0.00 C ATOM 755 C GLY A 56 9.643 -2.020 -15.841 1.00 0.00 C ATOM 756 O GLY A 56 10.142 -2.683 -14.933 1.00 0.00 O ATOM 0 H GLY A 56 7.749 -3.062 -14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.759 -1.313 -16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.407 -0.332 -15.317 1.00 0.00 H new ATOM 760 N SER A 57 10.210 -1.817 -17.021 1.00 0.00 N ATOM 761 CA SER A 57 11.510 -2.386 -17.335 1.00 0.00 C ATOM 762 C SER A 57 12.590 -1.729 -16.473 1.00 0.00 C ATOM 763 O SER A 57 12.439 -0.585 -16.048 1.00 0.00 O ATOM 764 CB SER A 57 11.841 -2.218 -18.819 1.00 0.00 C ATOM 765 OG SER A 57 12.269 -0.894 -19.124 1.00 0.00 O ATOM 0 H SER A 57 9.793 -1.266 -17.772 1.00 0.00 H new ATOM 0 HA SER A 57 11.478 -3.453 -17.116 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.622 -2.925 -19.098 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.962 -2.462 -19.416 1.00 0.00 H new ATOM 0 HG SER A 57 12.472 -0.828 -20.080 1.00 0.00 H new ATOM 771 N GLY A 58 13.655 -2.482 -16.240 1.00 0.00 N ATOM 772 CA GLY A 58 14.760 -1.987 -15.436 1.00 0.00 C ATOM 773 C GLY A 58 15.899 -1.480 -16.323 1.00 0.00 C ATOM 774 O GLY A 58 15.735 -0.504 -17.053 1.00 0.00 O ATOM 0 H GLY A 58 13.776 -3.431 -16.594 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.412 -1.182 -14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.126 -2.782 -14.786 1.00 0.00 H new ATOM 778 N GLY A 59 17.029 -2.166 -16.230 1.00 0.00 N ATOM 779 CA GLY A 59 18.195 -1.798 -17.014 1.00 0.00 C ATOM 780 C GLY A 59 19.308 -2.836 -16.863 1.00 0.00 C ATOM 781 O GLY A 59 19.204 -3.748 -16.044 1.00 0.00 O ATOM 0 H GLY A 59 17.161 -2.975 -15.623 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.918 -1.708 -18.064 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.558 -0.821 -16.695 1.00 0.00 H new ATOM 785 N GLY A 60 20.349 -2.663 -17.665 1.00 0.00 N ATOM 786 CA GLY A 60 21.480 -3.574 -17.630 1.00 0.00 C ATOM 787 C GLY A 60 22.721 -2.930 -18.252 1.00 0.00 C ATOM 788 O GLY A 60 22.681 -1.775 -18.673 1.00 0.00 O ATOM 0 H GLY A 60 20.432 -1.905 -18.343 1.00 0.00 H new ATOM 0 HA2 GLY A 60 21.691 -3.858 -16.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 21.232 -4.489 -18.168 1.00 0.00 H new ATOM 792 N PRO A 61 23.823 -3.726 -18.290 1.00 0.00 N ATOM 793 CA PRO A 61 25.074 -3.246 -18.854 1.00 0.00 C ATOM 794 C PRO A 61 25.007 -3.206 -20.381 1.00 0.00 C ATOM 795 O PRO A 61 24.480 -4.124 -21.008 1.00 0.00 O ATOM 796 CB PRO A 61 26.134 -4.202 -18.330 1.00 0.00 C ATOM 797 CG PRO A 61 25.386 -5.446 -17.877 1.00 0.00 C ATOM 798 CD PRO A 61 23.908 -5.099 -17.800 1.00 0.00 C ATOM 0 HA PRO A 61 25.302 -2.221 -18.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 26.860 -4.444 -19.106 1.00 0.00 H new ATOM 0 HB3 PRO A 61 26.688 -3.756 -17.503 1.00 0.00 H new ATOM 0 HG2 PRO A 61 25.550 -6.266 -18.577 1.00 0.00 H new ATOM 0 HG3 PRO A 61 25.751 -5.778 -16.905 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.310 -5.775 -18.411 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.535 -5.179 -16.779 1.00 0.00 H new ATOM 806 N HIS A 62 25.549 -2.132 -20.937 1.00 0.00 N ATOM 807 CA HIS A 62 25.557 -1.960 -22.380 1.00 0.00 C ATOM 808 C HIS A 62 26.537 -2.952 -23.010 1.00 0.00 C ATOM 809 O HIS A 62 26.136 -3.817 -23.788 1.00 0.00 O ATOM 810 CB HIS A 62 25.863 -0.508 -22.752 1.00 0.00 C ATOM 811 CG HIS A 62 24.920 0.497 -22.134 1.00 0.00 C ATOM 812 ND1 HIS A 62 23.638 0.712 -22.609 1.00 0.00 N ATOM 813 CD2 HIS A 62 25.085 1.341 -21.076 1.00 0.00 C ATOM 814 CE1 HIS A 62 23.067 1.646 -21.863 1.00 0.00 C ATOM 815 NE2 HIS A 62 23.966 2.035 -20.913 1.00 0.00 N ATOM 0 H HIS A 62 25.986 -1.373 -20.414 1.00 0.00 H new ATOM 0 HA HIS A 62 24.567 -2.176 -22.781 1.00 0.00 H new ATOM 0 HB2 HIS A 62 26.882 -0.272 -22.444 1.00 0.00 H new ATOM 0 HB3 HIS A 62 25.826 -0.406 -23.837 1.00 0.00 H new ATOM 0 HD2 HIS A 62 25.976 1.430 -20.472 1.00 0.00 H new ATOM 0 HE1 HIS A 62 22.066 2.032 -21.985 1.00 0.00 H new ATOM 0 HE2 HIS A 62 23.804 2.742 -20.196 1.00 0.00 H new ATOM 823 N HIS A 63 27.802 -2.795 -22.649 1.00 0.00 N ATOM 824 CA HIS A 63 28.842 -3.667 -23.169 1.00 0.00 C ATOM 825 C HIS A 63 28.732 -3.745 -24.693 1.00 0.00 C ATOM 826 O HIS A 63 27.983 -4.565 -25.223 1.00 0.00 O ATOM 827 CB HIS A 63 28.784 -5.041 -22.498 1.00 0.00 C ATOM 828 CG HIS A 63 29.535 -6.119 -23.243 1.00 0.00 C ATOM 829 ND1 HIS A 63 28.912 -7.237 -23.772 1.00 0.00 N ATOM 830 CD2 HIS A 63 30.860 -6.239 -23.542 1.00 0.00 C ATOM 831 CE1 HIS A 63 29.831 -7.988 -24.360 1.00 0.00 C ATOM 832 NE2 HIS A 63 31.038 -7.369 -24.215 1.00 0.00 N ATOM 0 H HIS A 63 28.130 -2.077 -22.003 1.00 0.00 H new ATOM 0 HA HIS A 63 29.822 -3.253 -22.932 1.00 0.00 H new ATOM 0 HB2 HIS A 63 29.190 -4.959 -21.490 1.00 0.00 H new ATOM 0 HB3 HIS A 63 27.741 -5.342 -22.398 1.00 0.00 H new ATOM 0 HD2 HIS A 63 31.634 -5.534 -23.276 1.00 0.00 H new ATOM 0 HE1 HIS A 63 29.656 -8.926 -24.866 1.00 0.00 H new ATOM 0 HE2 HIS A 63 31.930 -7.717 -24.566 1.00 0.00 H new ATOM 840 N HIS A 64 29.488 -2.882 -25.354 1.00 0.00 N ATOM 841 CA HIS A 64 29.485 -2.843 -26.806 1.00 0.00 C ATOM 842 C HIS A 64 30.642 -3.686 -27.345 1.00 0.00 C ATOM 843 O HIS A 64 30.434 -4.587 -28.156 1.00 0.00 O ATOM 844 CB HIS A 64 29.517 -1.399 -27.312 1.00 0.00 C ATOM 845 CG HIS A 64 28.201 -0.671 -27.177 1.00 0.00 C ATOM 846 ND1 HIS A 64 27.870 0.079 -26.062 1.00 0.00 N ATOM 847 CD2 HIS A 64 27.139 -0.586 -28.028 1.00 0.00 C ATOM 848 CE1 HIS A 64 26.660 0.587 -26.245 1.00 0.00 C ATOM 849 NE2 HIS A 64 26.208 0.173 -27.463 1.00 0.00 N ATOM 0 H HIS A 64 30.107 -2.204 -24.911 1.00 0.00 H new ATOM 0 HA HIS A 64 28.559 -3.277 -27.182 1.00 0.00 H new ATOM 0 HB2 HIS A 64 30.282 -0.850 -26.764 1.00 0.00 H new ATOM 0 HB3 HIS A 64 29.815 -1.399 -28.361 1.00 0.00 H new ATOM 0 HD2 HIS A 64 27.067 -1.056 -28.997 1.00 0.00 H new ATOM 0 HE1 HIS A 64 26.125 1.218 -25.551 1.00 0.00 H new ATOM 0 HE2 HIS A 64 25.304 0.408 -27.872 1.00 0.00 H new ATOM 857 N HIS A 65 31.837 -3.363 -26.872 1.00 0.00 N ATOM 858 CA HIS A 65 33.028 -4.079 -27.296 1.00 0.00 C ATOM 859 C HIS A 65 34.270 -3.240 -26.984 1.00 0.00 C ATOM 860 O HIS A 65 34.263 -2.024 -27.166 1.00 0.00 O ATOM 861 CB HIS A 65 32.932 -4.468 -28.773 1.00 0.00 C ATOM 862 CG HIS A 65 32.568 -5.915 -29.004 1.00 0.00 C ATOM 863 ND1 HIS A 65 33.175 -6.958 -28.326 1.00 0.00 N ATOM 864 CD2 HIS A 65 31.654 -6.481 -29.843 1.00 0.00 C ATOM 865 CE1 HIS A 65 32.643 -8.096 -28.747 1.00 0.00 C ATOM 866 NE2 HIS A 65 31.701 -7.799 -29.688 1.00 0.00 N ATOM 0 H HIS A 65 32.006 -2.615 -26.199 1.00 0.00 H new ATOM 0 HA HIS A 65 33.112 -5.012 -26.739 1.00 0.00 H new ATOM 0 HB2 HIS A 65 32.188 -3.835 -29.257 1.00 0.00 H new ATOM 0 HB3 HIS A 65 33.888 -4.263 -29.255 1.00 0.00 H new ATOM 0 HD2 HIS A 65 31.002 -5.948 -30.519 1.00 0.00 H new ATOM 0 HE1 HIS A 65 32.909 -9.085 -28.405 1.00 0.00 H new ATOM 0 HE2 HIS A 65 31.128 -8.477 -30.190 1.00 0.00 H new ATOM 874 N GLN A 66 35.305 -3.925 -26.520 1.00 0.00 N ATOM 875 CA GLN A 66 36.551 -3.258 -26.181 1.00 0.00 C ATOM 876 C GLN A 66 37.302 -2.859 -27.452 1.00 0.00 C ATOM 877 O GLN A 66 37.000 -3.353 -28.537 1.00 0.00 O ATOM 878 CB GLN A 66 37.420 -4.143 -25.285 1.00 0.00 C ATOM 879 CG GLN A 66 38.650 -3.381 -24.789 1.00 0.00 C ATOM 880 CD GLN A 66 38.246 -2.070 -24.111 1.00 0.00 C ATOM 881 OE1 GLN A 66 37.126 -1.893 -23.661 1.00 0.00 O ATOM 882 NE2 GLN A 66 39.219 -1.164 -24.064 1.00 0.00 N ATOM 0 H GLN A 66 35.307 -4.934 -26.371 1.00 0.00 H new ATOM 0 HA GLN A 66 36.316 -2.352 -25.622 1.00 0.00 H new ATOM 0 HB2 GLN A 66 36.835 -4.490 -24.433 1.00 0.00 H new ATOM 0 HB3 GLN A 66 37.735 -5.028 -25.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 39.208 -4.001 -24.087 1.00 0.00 H new ATOM 0 HG3 GLN A 66 39.315 -3.171 -25.627 1.00 0.00 H new ATOM 0 HE21 GLN A 66 40.134 -1.378 -24.460 1.00 0.00 H new ATOM 0 HE22 GLN A 66 39.050 -0.256 -23.632 1.00 0.00 H new ATOM 891 N THR A 67 38.267 -1.968 -27.276 1.00 0.00 N ATOM 892 CA THR A 67 39.065 -1.497 -28.395 1.00 0.00 C ATOM 893 C THR A 67 39.851 -2.654 -29.015 1.00 0.00 C ATOM 894 O THR A 67 39.839 -3.768 -28.491 1.00 0.00 O ATOM 895 CB THR A 67 39.954 -0.357 -27.896 1.00 0.00 C ATOM 896 OG1 THR A 67 40.927 -0.199 -28.925 1.00 0.00 O ATOM 897 CG2 THR A 67 40.773 -0.749 -26.665 1.00 0.00 C ATOM 0 H THR A 67 38.514 -1.560 -26.375 1.00 0.00 H new ATOM 0 HA THR A 67 38.434 -1.109 -29.195 1.00 0.00 H new ATOM 0 HB THR A 67 39.335 0.508 -27.659 1.00 0.00 H new ATOM 0 HG1 THR A 67 41.544 0.523 -28.683 1.00 0.00 H new ATOM 0 HG21 THR A 67 41.386 0.096 -26.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 40.100 -1.029 -25.854 1.00 0.00 H new ATOM 0 HG23 THR A 67 41.417 -1.594 -26.910 1.00 0.00 H new ATOM 905 N ARG A 68 40.515 -2.352 -30.120 1.00 0.00 N ATOM 906 CA ARG A 68 41.306 -3.353 -30.816 1.00 0.00 C ATOM 907 C ARG A 68 41.958 -2.744 -32.059 1.00 0.00 C ATOM 908 O ARG A 68 41.308 -2.027 -32.818 1.00 0.00 O ATOM 909 CB ARG A 68 40.441 -4.544 -31.234 1.00 0.00 C ATOM 910 CG ARG A 68 40.991 -5.849 -30.656 1.00 0.00 C ATOM 911 CD ARG A 68 41.131 -6.915 -31.745 1.00 0.00 C ATOM 912 NE ARG A 68 40.049 -7.917 -31.616 1.00 0.00 N ATOM 913 CZ ARG A 68 38.837 -7.801 -32.200 1.00 0.00 C ATOM 914 NH1 ARG A 68 38.542 -6.725 -32.959 1.00 0.00 N ATOM 915 NH2 ARG A 68 37.945 -8.757 -32.016 1.00 0.00 N ATOM 0 H ARG A 68 40.522 -1.428 -30.551 1.00 0.00 H new ATOM 0 HA ARG A 68 42.078 -3.702 -30.130 1.00 0.00 H new ATOM 0 HB2 ARG A 68 39.417 -4.393 -30.891 1.00 0.00 H new ATOM 0 HB3 ARG A 68 40.407 -4.609 -32.321 1.00 0.00 H new ATOM 0 HG2 ARG A 68 41.961 -5.666 -30.194 1.00 0.00 H new ATOM 0 HG3 ARG A 68 40.328 -6.211 -29.871 1.00 0.00 H new ATOM 0 HD2 ARG A 68 41.090 -6.448 -32.729 1.00 0.00 H new ATOM 0 HD3 ARG A 68 42.102 -7.404 -31.664 1.00 0.00 H new ATOM 0 HE ARG A 68 40.230 -8.747 -31.051 1.00 0.00 H new ATOM 0 HH11 ARG A 68 39.237 -5.991 -33.095 1.00 0.00 H new ATOM 0 HH12 ARG A 68 37.624 -6.646 -33.396 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.176 -9.567 -31.440 1.00 0.00 H new ATOM 0 HH22 ARG A 68 37.024 -8.686 -32.450 1.00 0.00 H new ATOM 928 N GLY A 69 43.236 -3.051 -32.228 1.00 0.00 N ATOM 929 CA GLY A 69 43.984 -2.543 -33.365 1.00 0.00 C ATOM 930 C GLY A 69 45.349 -3.225 -33.473 1.00 0.00 C ATOM 931 O GLY A 69 46.304 -2.819 -32.812 1.00 0.00 O ATOM 0 H GLY A 69 43.772 -3.645 -31.596 1.00 0.00 H new ATOM 0 HA2 GLY A 69 43.417 -2.709 -34.281 1.00 0.00 H new ATOM 0 HA3 GLY A 69 44.119 -1.466 -33.264 1.00 0.00 H new ATOM 935 N ALA A 70 45.398 -4.250 -34.310 1.00 0.00 N ATOM 936 CA ALA A 70 46.631 -4.993 -34.513 1.00 0.00 C ATOM 937 C ALA A 70 47.752 -4.020 -34.885 1.00 0.00 C ATOM 938 O ALA A 70 47.721 -3.412 -35.953 1.00 0.00 O ATOM 939 CB ALA A 70 46.411 -6.065 -35.582 1.00 0.00 C ATOM 0 H ALA A 70 44.604 -4.584 -34.856 1.00 0.00 H new ATOM 0 HA ALA A 70 46.927 -5.503 -33.596 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.335 -6.622 -35.734 1.00 0.00 H new ATOM 0 HB2 ALA A 70 45.626 -6.747 -35.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 46.115 -5.591 -36.518 1.00 0.00 H new ATOM 945 N TYR A 71 48.715 -3.904 -33.982 1.00 0.00 N ATOM 946 CA TYR A 71 49.843 -3.015 -34.202 1.00 0.00 C ATOM 947 C TYR A 71 51.099 -3.806 -34.576 1.00 0.00 C ATOM 948 O TYR A 71 51.310 -4.912 -34.081 1.00 0.00 O ATOM 949 CB TYR A 71 50.083 -2.301 -32.870 1.00 0.00 C ATOM 950 CG TYR A 71 49.710 -0.817 -32.885 1.00 0.00 C ATOM 951 CD1 TYR A 71 48.474 -0.420 -33.353 1.00 0.00 C ATOM 952 CD2 TYR A 71 50.610 0.125 -32.429 1.00 0.00 C ATOM 953 CE1 TYR A 71 48.123 0.976 -33.367 1.00 0.00 C ATOM 954 CE2 TYR A 71 50.259 1.522 -32.442 1.00 0.00 C ATOM 955 CZ TYR A 71 49.033 1.878 -32.911 1.00 0.00 C ATOM 956 OH TYR A 71 48.702 3.197 -32.923 1.00 0.00 O ATOM 0 H TYR A 71 48.737 -4.411 -33.097 1.00 0.00 H new ATOM 0 HA TYR A 71 49.632 -2.322 -35.016 1.00 0.00 H new ATOM 0 HB2 TYR A 71 49.508 -2.802 -32.092 1.00 0.00 H new ATOM 0 HB3 TYR A 71 51.135 -2.398 -32.601 1.00 0.00 H new ATOM 0 HD1 TYR A 71 47.770 -1.157 -33.709 1.00 0.00 H new ATOM 0 HD2 TYR A 71 51.577 -0.185 -32.062 1.00 0.00 H new ATOM 0 HE1 TYR A 71 47.159 1.300 -33.731 1.00 0.00 H new ATOM 0 HE2 TYR A 71 50.953 2.269 -32.088 1.00 0.00 H new ATOM 0 HH TYR A 71 49.448 3.725 -32.568 1.00 0.00 H new ATOM 966 N SER A 72 51.899 -3.207 -35.446 1.00 0.00 N ATOM 967 CA SER A 72 53.128 -3.842 -35.891 1.00 0.00 C ATOM 968 C SER A 72 52.803 -5.041 -36.784 1.00 0.00 C ATOM 969 O SER A 72 53.191 -5.074 -37.951 1.00 0.00 O ATOM 970 CB SER A 72 53.984 -4.281 -34.702 1.00 0.00 C ATOM 971 OG SER A 72 55.193 -3.533 -34.608 1.00 0.00 O ATOM 0 H SER A 72 51.720 -2.290 -35.854 1.00 0.00 H new ATOM 0 HA SER A 72 53.701 -3.114 -36.465 1.00 0.00 H new ATOM 0 HB2 SER A 72 53.413 -4.163 -33.781 1.00 0.00 H new ATOM 0 HB3 SER A 72 54.220 -5.341 -34.797 1.00 0.00 H new ATOM 0 HG SER A 72 55.710 -3.843 -33.835 1.00 0.00 H new ATOM 977 N SER A 73 52.096 -5.998 -36.201 1.00 0.00 N ATOM 978 CA SER A 73 51.715 -7.196 -36.929 1.00 0.00 C ATOM 979 C SER A 73 51.300 -6.832 -38.356 1.00 0.00 C ATOM 980 O SER A 73 50.549 -5.880 -38.565 1.00 0.00 O ATOM 981 CB SER A 73 50.579 -7.935 -36.219 1.00 0.00 C ATOM 982 OG SER A 73 49.363 -7.191 -36.240 1.00 0.00 O ATOM 0 H SER A 73 51.777 -5.968 -35.233 1.00 0.00 H new ATOM 0 HA SER A 73 52.578 -7.861 -36.966 1.00 0.00 H new ATOM 0 HB2 SER A 73 50.421 -8.902 -36.697 1.00 0.00 H new ATOM 0 HB3 SER A 73 50.865 -8.133 -35.186 1.00 0.00 H new ATOM 0 HG SER A 73 49.400 -6.485 -35.562 1.00 0.00 H new ATOM 988 N HIS A 74 51.808 -7.608 -39.303 1.00 0.00 N ATOM 989 CA HIS A 74 51.500 -7.379 -40.704 1.00 0.00 C ATOM 990 C HIS A 74 51.399 -8.720 -41.433 1.00 0.00 C ATOM 991 O HIS A 74 52.162 -9.643 -41.152 1.00 0.00 O ATOM 992 CB HIS A 74 52.524 -6.435 -41.338 1.00 0.00 C ATOM 993 CG HIS A 74 52.111 -4.982 -41.325 1.00 0.00 C ATOM 994 ND1 HIS A 74 53.020 -3.946 -41.205 1.00 0.00 N ATOM 995 CD2 HIS A 74 50.879 -4.405 -41.418 1.00 0.00 C ATOM 996 CE1 HIS A 74 52.353 -2.801 -41.225 1.00 0.00 C ATOM 997 NE2 HIS A 74 51.027 -3.088 -41.357 1.00 0.00 N ATOM 0 H HIS A 74 52.431 -8.396 -39.127 1.00 0.00 H new ATOM 0 HA HIS A 74 50.533 -6.884 -40.791 1.00 0.00 H new ATOM 0 HB2 HIS A 74 53.472 -6.537 -40.811 1.00 0.00 H new ATOM 0 HB3 HIS A 74 52.698 -6.743 -42.369 1.00 0.00 H new ATOM 0 HD2 HIS A 74 49.942 -4.931 -41.523 1.00 0.00 H new ATOM 0 HE1 HIS A 74 52.784 -1.814 -41.150 1.00 0.00 H new ATOM 0 HE2 HIS A 74 50.273 -2.403 -41.402 1.00 0.00 H new ATOM 1005 N ASP A 75 50.450 -8.786 -42.355 1.00 0.00 N ATOM 1006 CA ASP A 75 50.239 -9.998 -43.127 1.00 0.00 C ATOM 1007 C ASP A 75 50.138 -11.192 -42.175 1.00 0.00 C ATOM 1008 O ASP A 75 50.296 -12.338 -42.593 1.00 0.00 O ATOM 1009 CB ASP A 75 51.405 -10.253 -44.083 1.00 0.00 C ATOM 1010 CG ASP A 75 51.216 -9.698 -45.496 1.00 0.00 C ATOM 1011 OD1 ASP A 75 50.340 -10.150 -46.248 1.00 0.00 O ATOM 1012 OD2 ASP A 75 52.026 -8.748 -45.822 1.00 0.00 O ATOM 0 H ASP A 75 49.818 -8.019 -42.585 1.00 0.00 H new ATOM 0 HA ASP A 75 49.322 -9.875 -43.703 1.00 0.00 H new ATOM 0 HB2 ASP A 75 52.308 -9.817 -43.655 1.00 0.00 H new ATOM 0 HB3 ASP A 75 51.571 -11.328 -44.150 1.00 0.00 H new TER 1018 ASP A 75