USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=19 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+ 152:sc= 0.0447 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -24:sc= 0.349 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 64:sc= 0.358 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0544 X(o=-0.054,f=-0.39) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.251 K(o=0.25,f=-1.9) USER MOD Single : A 17 MET CE :methyl -120:sc=-0.00439 (180deg=-0.26) 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= -3.07! C(o=-3.1!,f=-2.7!) USER MOD Single : A 35 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.26) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -74:sc= 1.06 USER MOD Single : A 54 THR OG1 : rot 72:sc= 0.998 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= -0.0987 X(o=-0.099,f=-0.012) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -1.74! C(o=-2.3!,f=-1.7!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 45:sc= 0.997 USER MOD Single : A 73 SER OG : rot 180:sc=0.000113 USER MOD Single : A 74 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.264 -31.079 -7.347 1.00 0.00 N ATOM 2 CA MET A 1 -35.828 -30.552 -6.116 1.00 0.00 C ATOM 3 C MET A 1 -35.674 -29.032 -6.049 1.00 0.00 C ATOM 4 O MET A 1 -34.871 -28.453 -6.779 1.00 0.00 O ATOM 5 CB MET A 1 -35.124 -31.191 -4.918 1.00 0.00 C ATOM 6 CG MET A 1 -36.040 -32.193 -4.213 1.00 0.00 C ATOM 7 SD MET A 1 -35.719 -33.842 -4.817 1.00 0.00 S ATOM 8 CE MET A 1 -36.658 -34.794 -3.634 1.00 0.00 C ATOM 0 H1 MET A 1 -34.944 -32.056 -7.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -35.988 -31.066 -8.094 1.00 0.00 H new ATOM 0 H3 MET A 1 -34.456 -30.492 -7.638 1.00 0.00 H new ATOM 0 HA MET A 1 -36.891 -30.791 -6.093 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.217 -31.695 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 -34.818 -30.416 -4.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.876 -32.153 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 -37.083 -31.930 -4.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 -36.566 -35.855 -3.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.275 -34.608 -2.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.707 -34.501 -3.682 1.00 0.00 H new ATOM 18 N GLU A 2 -36.455 -28.428 -5.165 1.00 0.00 N ATOM 19 CA GLU A 2 -36.415 -26.986 -4.993 1.00 0.00 C ATOM 20 C GLU A 2 -34.969 -26.509 -4.845 1.00 0.00 C ATOM 21 O GLU A 2 -34.055 -27.320 -4.702 1.00 0.00 O ATOM 22 CB GLU A 2 -37.261 -26.553 -3.794 1.00 0.00 C ATOM 23 CG GLU A 2 -36.554 -26.883 -2.477 1.00 0.00 C ATOM 24 CD GLU A 2 -37.422 -27.789 -1.601 1.00 0.00 C ATOM 25 OE1 GLU A 2 -37.868 -28.852 -2.059 1.00 0.00 O ATOM 26 OE2 GLU A 2 -37.627 -27.355 -0.404 1.00 0.00 O ATOM 0 H GLU A 2 -37.119 -28.911 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 2 -36.841 -26.522 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -37.455 -25.482 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -38.229 -27.054 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -35.603 -27.374 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -36.327 -25.961 -1.941 1.00 0.00 H new ATOM 34 N VAL A 3 -34.806 -25.194 -4.885 1.00 0.00 N ATOM 35 CA VAL A 3 -33.486 -24.599 -4.757 1.00 0.00 C ATOM 36 C VAL A 3 -33.133 -24.468 -3.274 1.00 0.00 C ATOM 37 O VAL A 3 -34.013 -24.512 -2.416 1.00 0.00 O ATOM 38 CB VAL A 3 -33.439 -23.265 -5.504 1.00 0.00 C ATOM 39 CG1 VAL A 3 -32.046 -22.639 -5.420 1.00 0.00 C ATOM 40 CG2 VAL A 3 -33.878 -23.435 -6.959 1.00 0.00 C ATOM 0 H VAL A 3 -35.566 -24.524 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 3 -32.732 -25.239 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 3 -34.141 -22.585 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -32.040 -21.692 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -31.788 -22.464 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -31.316 -23.315 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -33.835 -22.472 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -33.213 -24.139 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -34.899 -23.816 -6.989 1.00 0.00 H new ATOM 50 N ALA A 4 -31.842 -24.308 -3.018 1.00 0.00 N ATOM 51 CA ALA A 4 -31.361 -24.170 -1.654 1.00 0.00 C ATOM 52 C ALA A 4 -31.865 -22.847 -1.073 1.00 0.00 C ATOM 53 O ALA A 4 -31.197 -21.821 -1.188 1.00 0.00 O ATOM 54 CB ALA A 4 -29.835 -24.270 -1.638 1.00 0.00 C ATOM 0 H ALA A 4 -31.115 -24.271 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 4 -31.746 -24.974 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.474 -24.166 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.530 -25.238 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -29.412 -23.476 -2.254 1.00 0.00 H new ATOM 60 N MET A 5 -33.038 -22.915 -0.460 1.00 0.00 N ATOM 61 CA MET A 5 -33.638 -21.736 0.140 1.00 0.00 C ATOM 62 C MET A 5 -34.572 -22.121 1.289 1.00 0.00 C ATOM 63 O MET A 5 -35.778 -22.265 1.092 1.00 0.00 O ATOM 64 CB MET A 5 -34.426 -20.967 -0.923 1.00 0.00 C ATOM 65 CG MET A 5 -34.011 -19.495 -0.954 1.00 0.00 C ATOM 66 SD MET A 5 -32.840 -19.218 -2.272 1.00 0.00 S ATOM 67 CE MET A 5 -33.808 -18.155 -3.329 1.00 0.00 C ATOM 0 H MET A 5 -33.589 -23.768 -0.366 1.00 0.00 H new ATOM 0 HA MET A 5 -32.841 -21.109 0.539 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.258 -21.417 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 5 -35.493 -21.043 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 5 -34.888 -18.864 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 5 -33.569 -19.213 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 5 -33.222 -17.884 -4.208 1.00 0.00 H new ATOM 0 HE2 MET A 5 -34.711 -18.678 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 5 -34.082 -17.252 -2.784 1.00 0.00 H new ATOM 77 N VAL A 6 -33.980 -22.275 2.464 1.00 0.00 N ATOM 78 CA VAL A 6 -34.744 -22.640 3.645 1.00 0.00 C ATOM 79 C VAL A 6 -34.909 -21.411 4.541 1.00 0.00 C ATOM 80 O VAL A 6 -34.617 -20.291 4.124 1.00 0.00 O ATOM 81 CB VAL A 6 -34.073 -23.815 4.360 1.00 0.00 C ATOM 82 CG1 VAL A 6 -32.956 -23.329 5.284 1.00 0.00 C ATOM 83 CG2 VAL A 6 -35.100 -24.646 5.131 1.00 0.00 C ATOM 0 H VAL A 6 -32.980 -22.154 2.624 1.00 0.00 H new ATOM 0 HA VAL A 6 -35.743 -22.974 3.365 1.00 0.00 H new ATOM 0 HB VAL A 6 -33.624 -24.457 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -32.496 -24.184 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -32.203 -22.801 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -33.371 -22.655 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -34.597 -25.474 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -35.591 -24.019 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -35.845 -25.038 4.438 1.00 0.00 H new ATOM 93 N SER A 7 -35.377 -21.662 5.755 1.00 0.00 N ATOM 94 CA SER A 7 -35.584 -20.589 6.713 1.00 0.00 C ATOM 95 C SER A 7 -35.678 -21.163 8.128 1.00 0.00 C ATOM 96 O SER A 7 -36.775 -21.383 8.640 1.00 0.00 O ATOM 97 CB SER A 7 -36.844 -19.788 6.379 1.00 0.00 C ATOM 98 OG SER A 7 -36.890 -19.413 5.005 1.00 0.00 O ATOM 0 H SER A 7 -35.619 -22.592 6.097 1.00 0.00 H new ATOM 0 HA SER A 7 -34.732 -19.912 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 7 -37.726 -20.381 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 7 -36.880 -18.893 7.000 1.00 0.00 H new ATOM 0 HG SER A 7 -35.981 -19.399 4.639 1.00 0.00 H new ATOM 104 N ALA A 8 -34.515 -21.389 8.720 1.00 0.00 N ATOM 105 CA ALA A 8 -34.453 -21.933 10.066 1.00 0.00 C ATOM 106 C ALA A 8 -34.821 -20.839 11.070 1.00 0.00 C ATOM 107 O ALA A 8 -33.974 -20.386 11.838 1.00 0.00 O ATOM 108 CB ALA A 8 -33.059 -22.511 10.319 1.00 0.00 C ATOM 0 H ALA A 8 -33.607 -21.205 8.292 1.00 0.00 H new ATOM 0 HA ALA A 8 -35.170 -22.746 10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -33.012 -22.919 11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -32.857 -23.303 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -32.313 -21.723 10.211 1.00 0.00 H new ATOM 114 N GLU A 9 -36.086 -20.447 11.032 1.00 0.00 N ATOM 115 CA GLU A 9 -36.577 -19.415 11.930 1.00 0.00 C ATOM 116 C GLU A 9 -38.105 -19.458 12.002 1.00 0.00 C ATOM 117 O GLU A 9 -38.759 -19.962 11.090 1.00 0.00 O ATOM 118 CB GLU A 9 -36.087 -18.032 11.496 1.00 0.00 C ATOM 119 CG GLU A 9 -36.026 -17.074 12.687 1.00 0.00 C ATOM 120 CD GLU A 9 -34.928 -16.026 12.492 1.00 0.00 C ATOM 121 OE1 GLU A 9 -35.115 -15.067 11.729 1.00 0.00 O ATOM 122 OE2 GLU A 9 -33.850 -16.235 13.169 1.00 0.00 O ATOM 0 H GLU A 9 -36.786 -20.825 10.394 1.00 0.00 H new ATOM 0 HA GLU A 9 -36.180 -19.608 12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -35.099 -18.118 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -36.754 -17.629 10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -36.989 -16.578 12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -35.838 -17.637 13.602 1.00 0.00 H new ATOM 130 N SER A 10 -38.629 -18.922 13.094 1.00 0.00 N ATOM 131 CA SER A 10 -40.068 -18.892 13.297 1.00 0.00 C ATOM 132 C SER A 10 -40.540 -17.449 13.486 1.00 0.00 C ATOM 133 O SER A 10 -40.797 -17.019 14.609 1.00 0.00 O ATOM 134 CB SER A 10 -40.472 -19.745 14.501 1.00 0.00 C ATOM 135 OG SER A 10 -40.708 -21.102 14.139 1.00 0.00 O ATOM 0 H SER A 10 -38.083 -18.505 13.848 1.00 0.00 H new ATOM 0 HA SER A 10 -40.547 -19.311 12.412 1.00 0.00 H new ATOM 0 HB2 SER A 10 -39.686 -19.703 15.255 1.00 0.00 H new ATOM 0 HB3 SER A 10 -41.372 -19.329 14.954 1.00 0.00 H new ATOM 0 HG SER A 10 -40.962 -21.614 14.935 1.00 0.00 H new ATOM 141 N SER A 11 -40.639 -16.741 12.370 1.00 0.00 N ATOM 142 CA SER A 11 -41.075 -15.356 12.399 1.00 0.00 C ATOM 143 C SER A 11 -41.016 -14.759 10.992 1.00 0.00 C ATOM 144 O SER A 11 -39.933 -14.525 10.458 1.00 0.00 O ATOM 145 CB SER A 11 -40.221 -14.529 13.363 1.00 0.00 C ATOM 146 OG SER A 11 -40.928 -14.202 14.556 1.00 0.00 O ATOM 0 H SER A 11 -40.425 -17.101 11.440 1.00 0.00 H new ATOM 0 HA SER A 11 -42.105 -15.330 12.755 1.00 0.00 H new ATOM 0 HB2 SER A 11 -39.319 -15.086 13.617 1.00 0.00 H new ATOM 0 HB3 SER A 11 -39.901 -13.612 12.868 1.00 0.00 H new ATOM 0 HG SER A 11 -41.145 -15.024 15.043 1.00 0.00 H new ATOM 152 N GLY A 12 -42.195 -14.530 10.431 1.00 0.00 N ATOM 153 CA GLY A 12 -42.290 -13.965 9.096 1.00 0.00 C ATOM 154 C GLY A 12 -42.706 -12.493 9.151 1.00 0.00 C ATOM 155 O GLY A 12 -42.057 -11.686 9.815 1.00 0.00 O ATOM 0 H GLY A 12 -43.091 -14.725 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -41.329 -14.056 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -43.015 -14.530 8.509 1.00 0.00 H new ATOM 159 N CYS A 13 -43.785 -12.189 8.446 1.00 0.00 N ATOM 160 CA CYS A 13 -44.295 -10.829 8.407 1.00 0.00 C ATOM 161 C CYS A 13 -45.754 -10.876 7.948 1.00 0.00 C ATOM 162 O CYS A 13 -46.082 -10.400 6.862 1.00 0.00 O ATOM 163 CB CYS A 13 -43.443 -9.931 7.508 1.00 0.00 C ATOM 164 SG CYS A 13 -43.542 -8.196 8.082 1.00 0.00 S ATOM 0 H CYS A 13 -44.321 -12.861 7.897 1.00 0.00 H new ATOM 0 HA CYS A 13 -44.242 -10.390 9.403 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -42.407 -10.268 7.521 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -43.789 -10.002 6.477 1.00 0.00 H new ATOM 0 HG CYS A 13 -42.813 -7.442 7.313 1.00 0.00 H new ATOM 170 N ASN A 14 -46.590 -11.453 8.798 1.00 0.00 N ATOM 171 CA ASN A 14 -48.006 -11.569 8.493 1.00 0.00 C ATOM 172 C ASN A 14 -48.799 -10.641 9.416 1.00 0.00 C ATOM 173 O ASN A 14 -49.981 -10.870 9.666 1.00 0.00 O ATOM 174 CB ASN A 14 -48.504 -12.998 8.719 1.00 0.00 C ATOM 175 CG ASN A 14 -48.890 -13.659 7.395 1.00 0.00 C ATOM 176 OD1 ASN A 14 -48.257 -13.471 6.369 1.00 0.00 O ATOM 177 ND2 ASN A 14 -49.963 -14.442 7.474 1.00 0.00 N ATOM 0 H ASN A 14 -46.314 -11.845 9.698 1.00 0.00 H new ATOM 0 HA ASN A 14 -48.148 -11.299 7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -47.727 -13.584 9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -49.364 -12.986 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -50.302 -14.928 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -50.447 -14.556 8.365 1.00 0.00 H new ATOM 184 N SER A 15 -48.116 -9.612 9.897 1.00 0.00 N ATOM 185 CA SER A 15 -48.742 -8.649 10.787 1.00 0.00 C ATOM 186 C SER A 15 -47.749 -7.538 11.137 1.00 0.00 C ATOM 187 O SER A 15 -46.886 -7.720 11.995 1.00 0.00 O ATOM 188 CB SER A 15 -49.252 -9.325 12.060 1.00 0.00 C ATOM 189 OG SER A 15 -50.501 -8.788 12.486 1.00 0.00 O ATOM 0 H SER A 15 -47.136 -9.424 9.687 1.00 0.00 H new ATOM 0 HA SER A 15 -49.598 -8.214 10.272 1.00 0.00 H new ATOM 0 HB2 SER A 15 -49.359 -10.395 11.884 1.00 0.00 H new ATOM 0 HB3 SER A 15 -48.516 -9.204 12.855 1.00 0.00 H new ATOM 0 HG SER A 15 -50.794 -9.247 13.301 1.00 0.00 H new ATOM 195 N HIS A 16 -47.904 -6.413 10.456 1.00 0.00 N ATOM 196 CA HIS A 16 -47.032 -5.273 10.684 1.00 0.00 C ATOM 197 C HIS A 16 -47.815 -4.160 11.384 1.00 0.00 C ATOM 198 O HIS A 16 -47.875 -3.035 10.892 1.00 0.00 O ATOM 199 CB HIS A 16 -46.387 -4.812 9.376 1.00 0.00 C ATOM 200 CG HIS A 16 -47.356 -4.681 8.226 1.00 0.00 C ATOM 201 ND1 HIS A 16 -48.465 -3.854 8.271 1.00 0.00 N ATOM 202 CD2 HIS A 16 -47.371 -5.279 7.000 1.00 0.00 C ATOM 203 CE1 HIS A 16 -49.112 -3.958 7.119 1.00 0.00 C ATOM 204 NE2 HIS A 16 -48.432 -4.842 6.333 1.00 0.00 N ATOM 0 H HIS A 16 -48.621 -6.266 9.745 1.00 0.00 H new ATOM 0 HA HIS A 16 -46.213 -5.563 11.342 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -45.903 -3.849 9.541 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -45.605 -5.519 9.100 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -48.738 -3.265 9.057 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -46.643 -5.988 6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -50.018 -3.435 6.850 1.00 0.00 H new ATOM 212 N MET A 17 -48.395 -4.514 12.522 1.00 0.00 N ATOM 213 CA MET A 17 -49.172 -3.559 13.294 1.00 0.00 C ATOM 214 C MET A 17 -48.265 -2.509 13.938 1.00 0.00 C ATOM 215 O MET A 17 -48.496 -1.310 13.790 1.00 0.00 O ATOM 216 CB MET A 17 -49.952 -4.298 14.384 1.00 0.00 C ATOM 217 CG MET A 17 -51.458 -4.093 14.214 1.00 0.00 C ATOM 218 SD MET A 17 -52.342 -4.975 15.490 1.00 0.00 S ATOM 219 CE MET A 17 -52.057 -3.885 16.874 1.00 0.00 C ATOM 0 H MET A 17 -48.342 -5.448 12.928 1.00 0.00 H new ATOM 0 HA MET A 17 -49.863 -3.052 12.621 1.00 0.00 H new ATOM 0 HB2 MET A 17 -49.719 -5.362 14.345 1.00 0.00 H new ATOM 0 HB3 MET A 17 -49.641 -3.940 15.365 1.00 0.00 H new ATOM 0 HG2 MET A 17 -51.697 -3.031 14.263 1.00 0.00 H new ATOM 0 HG3 MET A 17 -51.773 -4.446 13.232 1.00 0.00 H new ATOM 0 HE1 MET A 17 -51.531 -4.426 17.661 1.00 0.00 H new ATOM 0 HE2 MET A 17 -51.454 -3.037 16.551 1.00 0.00 H new ATOM 0 HE3 MET A 17 -53.012 -3.526 17.257 1.00 0.00 H new ATOM 229 N PRO A 18 -47.225 -3.010 14.658 1.00 0.00 N ATOM 230 CA PRO A 18 -46.283 -2.128 15.325 1.00 0.00 C ATOM 231 C PRO A 18 -45.323 -1.489 14.319 1.00 0.00 C ATOM 232 O PRO A 18 -45.386 -1.779 13.125 1.00 0.00 O ATOM 233 CB PRO A 18 -45.576 -3.006 16.344 1.00 0.00 C ATOM 234 CG PRO A 18 -45.814 -4.439 15.896 1.00 0.00 C ATOM 235 CD PRO A 18 -46.921 -4.424 14.854 1.00 0.00 C ATOM 0 HA PRO A 18 -46.771 -1.285 15.815 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.510 -2.780 16.381 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -45.972 -2.839 17.345 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -44.902 -4.865 15.478 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.097 -5.062 16.744 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -46.597 -4.892 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -47.797 -4.973 15.199 1.00 0.00 H new ATOM 243 N TYR A 19 -44.457 -0.631 14.838 1.00 0.00 N ATOM 244 CA TYR A 19 -43.486 0.051 14.001 1.00 0.00 C ATOM 245 C TYR A 19 -42.680 -0.949 13.169 1.00 0.00 C ATOM 246 O TYR A 19 -42.756 -2.155 13.397 1.00 0.00 O ATOM 247 CB TYR A 19 -42.540 0.779 14.958 1.00 0.00 C ATOM 248 CG TYR A 19 -43.018 2.174 15.364 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.270 2.341 15.920 1.00 0.00 C ATOM 250 CD2 TYR A 19 -42.196 3.267 15.174 1.00 0.00 C ATOM 251 CE1 TYR A 19 -44.719 3.655 16.301 1.00 0.00 C ATOM 252 CE2 TYR A 19 -42.646 4.581 15.556 1.00 0.00 C ATOM 253 CZ TYR A 19 -43.885 4.710 16.100 1.00 0.00 C ATOM 254 OH TYR A 19 -44.310 5.950 16.461 1.00 0.00 O ATOM 0 H TYR A 19 -44.408 -0.393 15.829 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.986 0.730 13.310 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.412 0.174 15.856 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.560 0.864 14.489 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -44.913 1.486 16.069 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.216 3.137 14.739 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -45.697 3.799 16.737 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -42.013 5.444 15.413 1.00 0.00 H new ATOM 0 HH TYR A 19 -43.611 6.607 16.261 1.00 0.00 H new ATOM 264 N GLY A 20 -41.927 -0.411 12.221 1.00 0.00 N ATOM 265 CA GLY A 20 -41.108 -1.241 11.354 1.00 0.00 C ATOM 266 C GLY A 20 -39.973 -0.428 10.729 1.00 0.00 C ATOM 267 O GLY A 20 -39.005 -0.084 11.405 1.00 0.00 O ATOM 0 H GLY A 20 -41.867 0.590 12.034 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.693 -2.071 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -41.727 -1.673 10.567 1.00 0.00 H new ATOM 271 N TYR A 21 -40.130 -0.143 9.444 1.00 0.00 N ATOM 272 CA TYR A 21 -39.131 0.623 8.720 1.00 0.00 C ATOM 273 C TYR A 21 -38.861 1.962 9.409 1.00 0.00 C ATOM 274 O TYR A 21 -37.821 2.580 9.187 1.00 0.00 O ATOM 275 CB TYR A 21 -39.724 0.886 7.334 1.00 0.00 C ATOM 276 CG TYR A 21 -39.254 -0.096 6.259 1.00 0.00 C ATOM 277 CD1 TYR A 21 -39.847 -1.338 6.153 1.00 0.00 C ATOM 278 CD2 TYR A 21 -38.238 0.260 5.396 1.00 0.00 C ATOM 279 CE1 TYR A 21 -39.405 -2.262 5.141 1.00 0.00 C ATOM 280 CE2 TYR A 21 -37.796 -0.664 4.384 1.00 0.00 C ATOM 281 CZ TYR A 21 -38.401 -1.880 4.307 1.00 0.00 C ATOM 282 OH TYR A 21 -37.983 -2.753 3.351 1.00 0.00 O ATOM 0 H TYR A 21 -40.935 -0.429 8.886 1.00 0.00 H new ATOM 0 HA TYR A 21 -38.188 0.078 8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -40.811 0.842 7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -39.464 1.899 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -40.642 -1.617 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.774 1.232 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -39.861 -3.237 5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -37.002 -0.398 3.702 1.00 0.00 H new ATOM 0 HH TYR A 21 -37.261 -2.345 2.828 1.00 0.00 H new ATOM 292 N ALA A 22 -39.816 2.372 10.231 1.00 0.00 N ATOM 293 CA ALA A 22 -39.695 3.626 10.953 1.00 0.00 C ATOM 294 C ALA A 22 -38.848 3.406 12.209 1.00 0.00 C ATOM 295 O ALA A 22 -38.377 4.365 12.819 1.00 0.00 O ATOM 296 CB ALA A 22 -41.089 4.166 11.277 1.00 0.00 C ATOM 0 H ALA A 22 -40.677 1.857 10.413 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.190 4.374 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.998 5.107 11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.639 4.332 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.625 3.444 11.892 1.00 0.00 H new ATOM 302 N ALA A 23 -38.682 2.139 12.557 1.00 0.00 N ATOM 303 CA ALA A 23 -37.901 1.782 13.729 1.00 0.00 C ATOM 304 C ALA A 23 -36.438 1.589 13.322 1.00 0.00 C ATOM 305 O ALA A 23 -35.655 1.003 14.068 1.00 0.00 O ATOM 306 CB ALA A 23 -38.495 0.529 14.377 1.00 0.00 C ATOM 0 H ALA A 23 -39.075 1.347 12.048 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.935 2.580 14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -37.909 0.261 15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.525 0.726 14.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.475 -0.294 13.663 1.00 0.00 H new ATOM 312 N GLN A 24 -36.115 2.094 12.141 1.00 0.00 N ATOM 313 CA GLN A 24 -34.760 1.985 11.626 1.00 0.00 C ATOM 314 C GLN A 24 -33.837 2.969 12.348 1.00 0.00 C ATOM 315 O GLN A 24 -32.637 3.010 12.081 1.00 0.00 O ATOM 316 CB GLN A 24 -34.729 2.212 10.113 1.00 0.00 C ATOM 317 CG GLN A 24 -34.697 3.706 9.784 1.00 0.00 C ATOM 318 CD GLN A 24 -35.680 4.040 8.660 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.526 3.627 7.522 1.00 0.00 O ATOM 320 NE2 GLN A 24 -36.696 4.810 9.041 1.00 0.00 N ATOM 0 H GLN A 24 -36.768 2.580 11.526 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.400 0.974 11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -33.853 1.723 9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -35.605 1.754 9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -34.947 4.284 10.674 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.689 3.996 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -36.765 5.121 10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -37.406 5.089 8.364 1.00 0.00 H new ATOM 329 N ALA A 25 -34.432 3.738 13.248 1.00 0.00 N ATOM 330 CA ALA A 25 -33.679 4.719 14.010 1.00 0.00 C ATOM 331 C ALA A 25 -32.596 4.005 14.822 1.00 0.00 C ATOM 332 O ALA A 25 -31.619 4.625 15.239 1.00 0.00 O ATOM 333 CB ALA A 25 -34.635 5.523 14.894 1.00 0.00 C ATOM 0 H ALA A 25 -35.428 3.701 13.467 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.182 5.423 13.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.070 6.259 15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.367 6.034 14.268 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.150 4.850 15.579 1.00 0.00 H new ATOM 339 N ARG A 26 -32.806 2.712 15.021 1.00 0.00 N ATOM 340 CA ARG A 26 -31.859 1.908 15.775 1.00 0.00 C ATOM 341 C ARG A 26 -30.588 1.677 14.956 1.00 0.00 C ATOM 342 O ARG A 26 -29.499 1.555 15.515 1.00 0.00 O ATOM 343 CB ARG A 26 -32.466 0.555 16.155 1.00 0.00 C ATOM 344 CG ARG A 26 -32.239 0.250 17.637 1.00 0.00 C ATOM 345 CD ARG A 26 -32.621 -1.196 17.963 1.00 0.00 C ATOM 346 NE ARG A 26 -33.858 -1.222 18.775 1.00 0.00 N ATOM 347 CZ ARG A 26 -34.657 -2.303 18.902 1.00 0.00 C ATOM 348 NH1 ARG A 26 -34.354 -3.457 18.271 1.00 0.00 N ATOM 349 NH2 ARG A 26 -35.738 -2.214 19.654 1.00 0.00 N ATOM 0 H ARG A 26 -33.618 2.201 14.673 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.613 2.453 16.687 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.535 0.558 15.940 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.021 -0.232 15.546 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.193 0.420 17.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.830 0.933 18.247 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -32.769 -1.758 17.041 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -31.810 -1.682 18.505 1.00 0.00 H new ATOM 0 HE ARG A 26 -34.123 -0.370 19.269 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -33.516 -3.517 17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -34.963 -4.269 18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -35.959 -1.338 20.128 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -36.353 -3.021 19.761 1.00 0.00 H new ATOM 362 N ALA A 27 -30.768 1.625 13.644 1.00 0.00 N ATOM 363 CA ALA A 27 -29.649 1.411 12.743 1.00 0.00 C ATOM 364 C ALA A 27 -28.763 2.658 12.732 1.00 0.00 C ATOM 365 O ALA A 27 -27.551 2.561 12.543 1.00 0.00 O ATOM 366 CB ALA A 27 -30.175 1.057 11.350 1.00 0.00 C ATOM 0 H ALA A 27 -31.672 1.727 13.184 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.037 0.575 13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.335 0.896 10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.774 0.148 11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.791 1.874 10.975 1.00 0.00 H new ATOM 372 N ARG A 28 -29.402 3.800 12.937 1.00 0.00 N ATOM 373 CA ARG A 28 -28.687 5.065 12.953 1.00 0.00 C ATOM 374 C ARG A 28 -27.662 5.081 14.090 1.00 0.00 C ATOM 375 O ARG A 28 -26.616 5.719 13.978 1.00 0.00 O ATOM 376 CB ARG A 28 -29.650 6.241 13.128 1.00 0.00 C ATOM 377 CG ARG A 28 -29.281 7.396 12.195 1.00 0.00 C ATOM 378 CD ARG A 28 -30.070 7.318 10.887 1.00 0.00 C ATOM 379 NE ARG A 28 -30.186 8.665 10.285 1.00 0.00 N ATOM 380 CZ ARG A 28 -31.013 8.968 9.261 1.00 0.00 C ATOM 381 NH1 ARG A 28 -31.805 8.020 8.716 1.00 0.00 N ATOM 382 NH2 ARG A 28 -31.035 10.205 8.801 1.00 0.00 N ATOM 0 H ARG A 28 -30.407 3.876 13.093 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.176 5.168 11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.669 5.914 12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.627 6.583 14.163 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.483 8.346 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.212 7.368 11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.572 6.642 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.062 6.908 11.075 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.605 9.411 10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -31.782 7.066 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.427 8.257 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -30.433 10.915 9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -31.654 10.451 8.028 1.00 0.00 H new ATOM 395 N GLU A 29 -27.999 4.372 15.157 1.00 0.00 N ATOM 396 CA GLU A 29 -27.122 4.297 16.313 1.00 0.00 C ATOM 397 C GLU A 29 -26.017 3.265 16.074 1.00 0.00 C ATOM 398 O GLU A 29 -24.943 3.351 16.668 1.00 0.00 O ATOM 399 CB GLU A 29 -27.912 3.970 17.581 1.00 0.00 C ATOM 400 CG GLU A 29 -27.727 5.061 18.638 1.00 0.00 C ATOM 401 CD GLU A 29 -26.740 4.615 19.719 1.00 0.00 C ATOM 402 OE1 GLU A 29 -26.823 3.476 20.202 1.00 0.00 O ATOM 403 OE2 GLU A 29 -25.863 5.499 20.055 1.00 0.00 O ATOM 0 H GLU A 29 -28.867 3.844 15.245 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.657 5.273 16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.970 3.869 17.339 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.583 3.011 17.981 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.365 5.974 18.164 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -28.688 5.298 19.094 1.00 0.00 H new ATOM 411 N ARG A 30 -26.319 2.312 15.204 1.00 0.00 N ATOM 412 CA ARG A 30 -25.366 1.265 14.880 1.00 0.00 C ATOM 413 C ARG A 30 -24.497 1.687 13.694 1.00 0.00 C ATOM 414 O ARG A 30 -23.350 1.259 13.576 1.00 0.00 O ATOM 415 CB ARG A 30 -26.080 -0.045 14.540 1.00 0.00 C ATOM 416 CG ARG A 30 -26.170 -0.955 15.767 1.00 0.00 C ATOM 417 CD ARG A 30 -25.299 -2.200 15.591 1.00 0.00 C ATOM 418 NE ARG A 30 -25.368 -3.042 16.806 1.00 0.00 N ATOM 419 CZ ARG A 30 -24.609 -2.848 17.905 1.00 0.00 C ATOM 420 NH1 ARG A 30 -23.716 -1.837 17.952 1.00 0.00 N ATOM 421 NH2 ARG A 30 -24.754 -3.662 18.935 1.00 0.00 N ATOM 0 H ARG A 30 -27.211 2.244 14.714 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.738 1.106 15.757 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.082 0.169 14.167 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.545 -0.558 13.741 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.853 -0.407 16.654 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.206 -1.252 15.929 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.635 -2.769 14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.267 -1.908 15.399 1.00 0.00 H new ATOM 0 HE ARG A 30 -26.031 -3.817 16.813 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -23.611 -1.212 17.153 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -23.147 -1.698 18.787 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -25.432 -4.423 18.892 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -24.188 -3.529 19.773 1.00 0.00 H new ATOM 434 N GLU A 31 -25.077 2.521 12.843 1.00 0.00 N ATOM 435 CA GLU A 31 -24.370 3.006 11.670 1.00 0.00 C ATOM 436 C GLU A 31 -23.087 3.728 12.085 1.00 0.00 C ATOM 437 O GLU A 31 -22.130 3.793 11.314 1.00 0.00 O ATOM 438 CB GLU A 31 -25.265 3.917 10.828 1.00 0.00 C ATOM 439 CG GLU A 31 -25.177 3.554 9.345 1.00 0.00 C ATOM 440 CD GLU A 31 -26.415 2.775 8.896 1.00 0.00 C ATOM 441 OE1 GLU A 31 -27.532 3.314 8.929 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.187 1.568 8.502 1.00 0.00 O ATOM 0 H GLU A 31 -26.029 2.873 12.943 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.098 2.149 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.298 3.831 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.968 4.956 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.079 4.462 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.283 2.957 9.166 1.00 0.00 H new ATOM 450 N ARG A 32 -23.107 4.253 13.301 1.00 0.00 N ATOM 451 CA ARG A 32 -21.957 4.968 13.827 1.00 0.00 C ATOM 452 C ARG A 32 -20.732 4.052 13.860 1.00 0.00 C ATOM 453 O ARG A 32 -19.601 4.518 13.729 1.00 0.00 O ATOM 454 CB ARG A 32 -22.232 5.491 15.239 1.00 0.00 C ATOM 455 CG ARG A 32 -22.146 7.018 15.285 1.00 0.00 C ATOM 456 CD ARG A 32 -20.846 7.474 15.951 1.00 0.00 C ATOM 457 NE ARG A 32 -20.198 8.521 15.130 1.00 0.00 N ATOM 458 CZ ARG A 32 -20.456 9.841 15.247 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.353 10.287 16.152 1.00 0.00 N ATOM 460 NH2 ARG A 32 -19.818 10.690 14.462 1.00 0.00 N ATOM 0 H ARG A 32 -23.902 4.197 13.938 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.764 5.815 13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.222 5.169 15.563 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.513 5.062 15.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.201 7.420 14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.999 7.418 15.833 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.055 7.860 16.949 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.172 6.626 16.072 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.514 8.227 14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.842 9.625 16.754 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.542 11.286 16.233 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.142 10.345 13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.001 11.691 14.537 1.00 0.00 H new ATOM 473 N LEU A 33 -20.998 2.766 14.035 1.00 0.00 N ATOM 474 CA LEU A 33 -19.931 1.781 14.086 1.00 0.00 C ATOM 475 C LEU A 33 -19.652 1.265 12.673 1.00 0.00 C ATOM 476 O LEU A 33 -18.632 0.620 12.434 1.00 0.00 O ATOM 477 CB LEU A 33 -20.270 0.676 15.088 1.00 0.00 C ATOM 478 CG LEU A 33 -19.218 0.403 16.166 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.673 0.940 17.524 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.868 -1.085 16.225 1.00 0.00 C ATOM 0 H LEU A 33 -21.937 2.383 14.143 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.009 2.236 14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.208 0.934 15.580 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.444 -0.247 14.536 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.307 0.937 15.898 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.908 0.733 18.272 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.832 2.016 17.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.605 0.454 17.814 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.119 -1.252 16.999 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.764 -1.661 16.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.472 -1.404 15.261 1.00 0.00 H new ATOM 492 N ALA A 34 -20.576 1.568 11.773 1.00 0.00 N ATOM 493 CA ALA A 34 -20.442 1.142 10.390 1.00 0.00 C ATOM 494 C ALA A 34 -19.531 2.120 9.646 1.00 0.00 C ATOM 495 O ALA A 34 -19.346 2.003 8.436 1.00 0.00 O ATOM 496 CB ALA A 34 -21.829 1.036 9.752 1.00 0.00 C ATOM 0 H ALA A 34 -21.420 2.103 11.974 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.982 0.156 10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.729 0.717 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.427 0.308 10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.321 2.008 9.786 1.00 0.00 H new ATOM 502 N HIS A 35 -18.986 3.062 10.401 1.00 0.00 N ATOM 503 CA HIS A 35 -18.098 4.060 9.829 1.00 0.00 C ATOM 504 C HIS A 35 -16.654 3.560 9.894 1.00 0.00 C ATOM 505 O HIS A 35 -15.764 4.137 9.270 1.00 0.00 O ATOM 506 CB HIS A 35 -18.288 5.414 10.514 1.00 0.00 C ATOM 507 CG HIS A 35 -18.628 6.540 9.567 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.138 7.753 9.997 1.00 0.00 N ATOM 509 CD2 HIS A 35 -18.524 6.625 8.210 1.00 0.00 C ATOM 510 CE1 HIS A 35 -19.330 8.525 8.937 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.949 7.824 7.830 1.00 0.00 N ATOM 0 H HIS A 35 -19.142 3.155 11.405 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.346 4.212 8.779 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.081 5.326 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.375 5.669 11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.158 5.848 7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -19.720 9.532 8.948 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.985 8.165 6.869 1.00 0.00 H new ATOM 519 N SER A 36 -16.465 2.492 10.655 1.00 0.00 N ATOM 520 CA SER A 36 -15.144 1.907 10.810 1.00 0.00 C ATOM 521 C SER A 36 -14.911 0.846 9.733 1.00 0.00 C ATOM 522 O SER A 36 -13.770 0.490 9.443 1.00 0.00 O ATOM 523 CB SER A 36 -14.972 1.297 12.202 1.00 0.00 C ATOM 524 OG SER A 36 -14.850 2.295 13.212 1.00 0.00 O ATOM 0 H SER A 36 -17.205 2.016 11.171 1.00 0.00 H new ATOM 0 HA SER A 36 -14.404 2.699 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.826 0.658 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.087 0.661 12.212 1.00 0.00 H new ATOM 0 HG SER A 36 -14.744 1.865 14.086 1.00 0.00 H new ATOM 530 N ARG A 37 -16.012 0.370 9.169 1.00 0.00 N ATOM 531 CA ARG A 37 -15.942 -0.643 8.130 1.00 0.00 C ATOM 532 C ARG A 37 -15.827 0.015 6.753 1.00 0.00 C ATOM 533 O ARG A 37 -15.973 -0.650 5.729 1.00 0.00 O ATOM 534 CB ARG A 37 -17.178 -1.544 8.155 1.00 0.00 C ATOM 535 CG ARG A 37 -16.794 -3.009 7.935 1.00 0.00 C ATOM 536 CD ARG A 37 -17.562 -3.605 6.754 1.00 0.00 C ATOM 537 NE ARG A 37 -17.219 -5.037 6.599 1.00 0.00 N ATOM 538 CZ ARG A 37 -16.097 -5.485 5.995 1.00 0.00 C ATOM 539 NH1 ARG A 37 -15.200 -4.616 5.485 1.00 0.00 N ATOM 540 NH2 ARG A 37 -15.892 -6.786 5.912 1.00 0.00 N ATOM 0 H ARG A 37 -16.957 0.667 9.412 1.00 0.00 H new ATOM 0 HA ARG A 37 -15.058 -1.252 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.690 -1.438 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.878 -1.228 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.722 -3.084 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.004 -3.583 8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -18.635 -3.495 6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.318 -3.063 5.840 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.870 -5.728 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.366 -3.612 5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.355 -4.963 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.575 -7.436 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.050 -7.142 5.459 1.00 0.00 H new ATOM 553 N ALA A 38 -15.566 1.314 6.774 1.00 0.00 N ATOM 554 CA ALA A 38 -15.430 2.069 5.540 1.00 0.00 C ATOM 555 C ALA A 38 -13.967 2.047 5.092 1.00 0.00 C ATOM 556 O ALA A 38 -13.366 3.098 4.872 1.00 0.00 O ATOM 557 CB ALA A 38 -15.953 3.491 5.751 1.00 0.00 C ATOM 0 H ALA A 38 -15.445 1.862 7.625 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.025 1.617 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.851 4.057 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.003 3.453 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.378 3.977 6.539 1.00 0.00 H new ATOM 563 N ALA A 39 -13.436 0.839 4.972 1.00 0.00 N ATOM 564 CA ALA A 39 -12.055 0.667 4.554 1.00 0.00 C ATOM 565 C ALA A 39 -11.740 1.653 3.428 1.00 0.00 C ATOM 566 O ALA A 39 -12.515 1.787 2.482 1.00 0.00 O ATOM 567 CB ALA A 39 -11.825 -0.787 4.138 1.00 0.00 C ATOM 0 H ALA A 39 -13.937 -0.030 5.157 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.375 0.882 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.789 -0.916 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.033 -1.444 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.489 -1.038 3.311 1.00 0.00 H new ATOM 573 N ALA A 40 -10.602 2.316 3.566 1.00 0.00 N ATOM 574 CA ALA A 40 -10.175 3.286 2.571 1.00 0.00 C ATOM 575 C ALA A 40 -10.476 2.742 1.173 1.00 0.00 C ATOM 576 O ALA A 40 -11.272 3.321 0.436 1.00 0.00 O ATOM 577 CB ALA A 40 -8.691 3.599 2.768 1.00 0.00 C ATOM 0 H ALA A 40 -9.962 2.201 4.352 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.723 4.221 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.370 4.326 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.535 4.010 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.108 2.684 2.657 1.00 0.00 H new ATOM 583 N ALA A 41 -9.823 1.635 0.851 1.00 0.00 N ATOM 584 CA ALA A 41 -10.010 1.006 -0.446 1.00 0.00 C ATOM 585 C ALA A 41 -11.486 1.090 -0.840 1.00 0.00 C ATOM 586 O ALA A 41 -12.297 0.275 -0.402 1.00 0.00 O ATOM 587 CB ALA A 41 -9.502 -0.436 -0.392 1.00 0.00 C ATOM 0 H ALA A 41 -9.164 1.157 1.466 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.434 1.526 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.642 -0.908 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.442 -0.439 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.059 -0.990 0.364 1.00 0.00 H new ATOM 593 N ALA A 42 -11.791 2.083 -1.662 1.00 0.00 N ATOM 594 CA ALA A 42 -13.155 2.284 -2.120 1.00 0.00 C ATOM 595 C ALA A 42 -13.275 1.818 -3.572 1.00 0.00 C ATOM 596 O ALA A 42 -13.841 0.760 -3.844 1.00 0.00 O ATOM 597 CB ALA A 42 -13.541 3.755 -1.946 1.00 0.00 C ATOM 0 H ALA A 42 -11.116 2.758 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.850 1.692 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.564 3.906 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.468 4.028 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.866 4.380 -2.531 1.00 0.00 H new ATOM 603 N ALA A 43 -12.733 2.630 -4.468 1.00 0.00 N ATOM 604 CA ALA A 43 -12.772 2.314 -5.885 1.00 0.00 C ATOM 605 C ALA A 43 -12.180 0.921 -6.109 1.00 0.00 C ATOM 606 O ALA A 43 -12.423 0.298 -7.142 1.00 0.00 O ATOM 607 CB ALA A 43 -12.029 3.397 -6.671 1.00 0.00 C ATOM 0 H ALA A 43 -12.264 3.507 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.800 2.297 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.058 3.160 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.507 4.362 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.992 3.442 -6.338 1.00 0.00 H new ATOM 613 N VAL A 44 -11.414 0.474 -5.125 1.00 0.00 N ATOM 614 CA VAL A 44 -10.786 -0.834 -5.202 1.00 0.00 C ATOM 615 C VAL A 44 -11.714 -1.879 -4.580 1.00 0.00 C ATOM 616 O VAL A 44 -11.710 -3.039 -4.987 1.00 0.00 O ATOM 617 CB VAL A 44 -9.406 -0.791 -4.542 1.00 0.00 C ATOM 618 CG1 VAL A 44 -9.176 -2.029 -3.672 1.00 0.00 C ATOM 619 CG2 VAL A 44 -8.301 -0.643 -5.589 1.00 0.00 C ATOM 0 H VAL A 44 -11.214 0.994 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.626 -1.120 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.372 0.085 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.188 -1.974 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.936 -2.071 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.240 -2.925 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.331 -0.615 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.334 -1.490 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.450 0.281 -6.147 1.00 0.00 H new ATOM 629 N ALA A 45 -12.488 -1.429 -3.603 1.00 0.00 N ATOM 630 CA ALA A 45 -13.419 -2.311 -2.920 1.00 0.00 C ATOM 631 C ALA A 45 -14.125 -3.196 -3.950 1.00 0.00 C ATOM 632 O ALA A 45 -14.083 -4.421 -3.853 1.00 0.00 O ATOM 633 CB ALA A 45 -14.403 -1.476 -2.097 1.00 0.00 C ATOM 0 H ALA A 45 -12.489 -0.465 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.890 -2.967 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.102 -2.137 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.854 -0.887 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.955 -0.808 -2.758 1.00 0.00 H new ATOM 639 N ALA A 46 -14.756 -2.540 -4.912 1.00 0.00 N ATOM 640 CA ALA A 46 -15.470 -3.252 -5.959 1.00 0.00 C ATOM 641 C ALA A 46 -14.461 -3.944 -6.878 1.00 0.00 C ATOM 642 O ALA A 46 -14.593 -5.132 -7.168 1.00 0.00 O ATOM 643 CB ALA A 46 -16.374 -2.277 -6.715 1.00 0.00 C ATOM 0 H ALA A 46 -14.788 -1.523 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.110 -4.024 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.909 -2.811 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.091 -1.835 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.767 -1.489 -7.161 1.00 0.00 H new ATOM 649 N ALA A 47 -13.476 -3.171 -7.311 1.00 0.00 N ATOM 650 CA ALA A 47 -12.445 -3.694 -8.191 1.00 0.00 C ATOM 651 C ALA A 47 -11.740 -4.864 -7.504 1.00 0.00 C ATOM 652 O ALA A 47 -12.059 -5.205 -6.366 1.00 0.00 O ATOM 653 CB ALA A 47 -11.478 -2.571 -8.570 1.00 0.00 C ATOM 0 H ALA A 47 -13.370 -2.186 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.884 -4.070 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.705 -2.964 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.024 -1.778 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.016 -2.169 -7.668 1.00 0.00 H new ATOM 659 N THR A 48 -10.793 -5.449 -8.224 1.00 0.00 N ATOM 660 CA THR A 48 -10.040 -6.574 -7.698 1.00 0.00 C ATOM 661 C THR A 48 -10.955 -7.499 -6.893 1.00 0.00 C ATOM 662 O THR A 48 -10.518 -8.123 -5.927 1.00 0.00 O ATOM 663 CB THR A 48 -8.868 -6.019 -6.885 1.00 0.00 C ATOM 664 OG1 THR A 48 -7.870 -7.032 -6.979 1.00 0.00 O ATOM 665 CG2 THR A 48 -9.179 -5.941 -5.389 1.00 0.00 C ATOM 0 H THR A 48 -10.531 -5.164 -9.168 1.00 0.00 H new ATOM 0 HA THR A 48 -9.635 -7.189 -8.501 1.00 0.00 H new ATOM 0 HB THR A 48 -8.607 -5.027 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.118 -7.790 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.315 -5.541 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.037 -5.288 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.407 -6.938 -5.012 1.00 0.00 H new ATOM 673 N ALA A 49 -12.207 -7.557 -7.320 1.00 0.00 N ATOM 674 CA ALA A 49 -13.188 -8.395 -6.651 1.00 0.00 C ATOM 675 C ALA A 49 -12.598 -9.791 -6.436 1.00 0.00 C ATOM 676 O ALA A 49 -12.084 -10.092 -5.359 1.00 0.00 O ATOM 677 CB ALA A 49 -14.478 -8.428 -7.473 1.00 0.00 C ATOM 0 H ALA A 49 -12.565 -7.037 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.436 -7.987 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.213 -9.057 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.872 -7.417 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.269 -8.834 -8.463 1.00 0.00 H new ATOM 683 N ALA A 50 -12.691 -10.605 -7.477 1.00 0.00 N ATOM 684 CA ALA A 50 -12.173 -11.961 -7.415 1.00 0.00 C ATOM 685 C ALA A 50 -10.680 -11.947 -7.750 1.00 0.00 C ATOM 686 O ALA A 50 -10.221 -12.720 -8.590 1.00 0.00 O ATOM 687 CB ALA A 50 -12.974 -12.857 -8.362 1.00 0.00 C ATOM 0 H ALA A 50 -13.117 -10.352 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.282 -12.368 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.586 -13.874 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.023 -12.855 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.885 -12.481 -9.381 1.00 0.00 H new ATOM 693 N VAL A 51 -9.963 -11.061 -7.074 1.00 0.00 N ATOM 694 CA VAL A 51 -8.531 -10.937 -7.289 1.00 0.00 C ATOM 695 C VAL A 51 -7.870 -10.422 -6.008 1.00 0.00 C ATOM 696 O VAL A 51 -7.266 -9.351 -6.004 1.00 0.00 O ATOM 697 CB VAL A 51 -8.259 -10.044 -8.502 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.762 -9.773 -8.658 1.00 0.00 C ATOM 699 CG2 VAL A 51 -8.841 -10.659 -9.776 1.00 0.00 C ATOM 0 H VAL A 51 -10.347 -10.422 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.093 -11.910 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.756 -9.089 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.596 -9.136 -9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.388 -9.273 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.234 -10.717 -8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.634 -10.005 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.386 -11.634 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.919 -10.777 -9.664 1.00 0.00 H new ATOM 709 N GLU A 52 -8.008 -11.211 -4.952 1.00 0.00 N ATOM 710 CA GLU A 52 -7.432 -10.848 -3.668 1.00 0.00 C ATOM 711 C GLU A 52 -6.235 -11.747 -3.351 1.00 0.00 C ATOM 712 O GLU A 52 -5.882 -12.620 -4.143 1.00 0.00 O ATOM 713 CB GLU A 52 -8.481 -10.920 -2.557 1.00 0.00 C ATOM 714 CG GLU A 52 -8.400 -9.693 -1.647 1.00 0.00 C ATOM 715 CD GLU A 52 -9.090 -9.957 -0.307 1.00 0.00 C ATOM 716 OE1 GLU A 52 -10.319 -9.826 -0.206 1.00 0.00 O ATOM 717 OE2 GLU A 52 -8.303 -10.313 0.651 1.00 0.00 O ATOM 0 H GLU A 52 -8.510 -12.099 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.083 -9.817 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.477 -10.987 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.331 -11.825 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.356 -9.430 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.867 -8.840 -2.139 1.00 0.00 H new ATOM 725 N GLY A 53 -5.643 -11.503 -2.191 1.00 0.00 N ATOM 726 CA GLY A 53 -4.493 -12.279 -1.760 1.00 0.00 C ATOM 727 C GLY A 53 -4.761 -13.779 -1.896 1.00 0.00 C ATOM 728 O GLY A 53 -4.090 -14.466 -2.663 1.00 0.00 O ATOM 0 H GLY A 53 -5.938 -10.779 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.622 -12.006 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.257 -12.041 -0.723 1.00 0.00 H new ATOM 732 N THR A 54 -5.745 -14.242 -1.139 1.00 0.00 N ATOM 733 CA THR A 54 -6.111 -15.648 -1.165 1.00 0.00 C ATOM 734 C THR A 54 -4.860 -16.523 -1.268 1.00 0.00 C ATOM 735 O THR A 54 -4.711 -17.291 -2.217 1.00 0.00 O ATOM 736 CB THR A 54 -7.096 -15.859 -2.317 1.00 0.00 C ATOM 737 OG1 THR A 54 -6.275 -15.855 -3.481 1.00 0.00 O ATOM 738 CG2 THR A 54 -8.030 -14.664 -2.515 1.00 0.00 C ATOM 0 H THR A 54 -6.300 -13.668 -0.504 1.00 0.00 H new ATOM 0 HA THR A 54 -6.603 -15.946 -0.239 1.00 0.00 H new ATOM 0 HB THR A 54 -7.688 -16.755 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.748 -16.681 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.708 -14.866 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.608 -14.499 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.441 -13.774 -2.736 1.00 0.00 H new ATOM 746 N GLY A 55 -3.992 -16.377 -0.277 1.00 0.00 N ATOM 747 CA GLY A 55 -2.759 -17.144 -0.244 1.00 0.00 C ATOM 748 C GLY A 55 -2.536 -17.766 1.137 1.00 0.00 C ATOM 749 O GLY A 55 -1.556 -17.453 1.811 1.00 0.00 O ATOM 0 H GLY A 55 -4.119 -15.739 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.795 -17.929 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.918 -16.498 -0.496 1.00 0.00 H new ATOM 753 N GLY A 56 -3.462 -18.634 1.516 1.00 0.00 N ATOM 754 CA GLY A 56 -3.380 -19.301 2.804 1.00 0.00 C ATOM 755 C GLY A 56 -3.784 -20.772 2.686 1.00 0.00 C ATOM 756 O GLY A 56 -3.662 -21.369 1.617 1.00 0.00 O ATOM 0 H GLY A 56 -4.273 -18.891 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.363 -19.229 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.030 -18.798 3.520 1.00 0.00 H new ATOM 760 N SER A 57 -4.256 -21.314 3.799 1.00 0.00 N ATOM 761 CA SER A 57 -4.678 -22.704 3.833 1.00 0.00 C ATOM 762 C SER A 57 -6.062 -22.814 4.477 1.00 0.00 C ATOM 763 O SER A 57 -6.461 -21.947 5.252 1.00 0.00 O ATOM 764 CB SER A 57 -3.669 -23.568 4.593 1.00 0.00 C ATOM 765 OG SER A 57 -2.410 -23.627 3.928 1.00 0.00 O ATOM 0 H SER A 57 -4.356 -20.816 4.684 1.00 0.00 H new ATOM 0 HA SER A 57 -4.730 -23.071 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.531 -23.166 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.067 -24.576 4.706 1.00 0.00 H new ATOM 0 HG SER A 57 -1.793 -24.186 4.445 1.00 0.00 H new ATOM 771 N GLY A 58 -6.756 -23.889 4.132 1.00 0.00 N ATOM 772 CA GLY A 58 -8.087 -24.124 4.666 1.00 0.00 C ATOM 773 C GLY A 58 -8.508 -25.581 4.468 1.00 0.00 C ATOM 774 O GLY A 58 -8.918 -25.970 3.376 1.00 0.00 O ATOM 0 H GLY A 58 -6.421 -24.607 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.105 -23.878 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.802 -23.465 4.173 1.00 0.00 H new ATOM 778 N GLY A 59 -8.391 -26.349 5.542 1.00 0.00 N ATOM 779 CA GLY A 59 -8.755 -27.755 5.500 1.00 0.00 C ATOM 780 C GLY A 59 -7.931 -28.564 6.504 1.00 0.00 C ATOM 781 O GLY A 59 -6.907 -28.093 6.996 1.00 0.00 O ATOM 0 H GLY A 59 -8.049 -26.024 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.816 -27.866 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.596 -28.146 4.495 1.00 0.00 H new ATOM 785 N GLY A 60 -8.409 -29.770 6.777 1.00 0.00 N ATOM 786 CA GLY A 60 -7.730 -30.649 7.714 1.00 0.00 C ATOM 787 C GLY A 60 -8.324 -32.058 7.672 1.00 0.00 C ATOM 788 O GLY A 60 -9.419 -32.259 7.148 1.00 0.00 O ATOM 0 H GLY A 60 -9.258 -30.158 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.668 -30.691 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.813 -30.245 8.723 1.00 0.00 H new ATOM 792 N PRO A 61 -7.556 -33.023 8.246 1.00 0.00 N ATOM 793 CA PRO A 61 -7.996 -34.408 8.279 1.00 0.00 C ATOM 794 C PRO A 61 -9.093 -34.610 9.326 1.00 0.00 C ATOM 795 O PRO A 61 -9.505 -33.660 9.989 1.00 0.00 O ATOM 796 CB PRO A 61 -6.740 -35.212 8.572 1.00 0.00 C ATOM 797 CG PRO A 61 -5.738 -34.225 9.150 1.00 0.00 C ATOM 798 CD PRO A 61 -6.255 -32.822 8.876 1.00 0.00 C ATOM 0 HA PRO A 61 -8.449 -34.728 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.947 -36.017 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.353 -35.676 7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.619 -34.385 10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.757 -34.366 8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.346 -32.247 9.797 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.579 -32.272 8.222 1.00 0.00 H new ATOM 806 N HIS A 62 -9.534 -35.854 9.442 1.00 0.00 N ATOM 807 CA HIS A 62 -10.576 -36.193 10.397 1.00 0.00 C ATOM 808 C HIS A 62 -10.174 -37.450 11.169 1.00 0.00 C ATOM 809 O HIS A 62 -9.912 -38.493 10.572 1.00 0.00 O ATOM 810 CB HIS A 62 -11.929 -36.334 9.697 1.00 0.00 C ATOM 811 CG HIS A 62 -13.108 -35.942 10.556 1.00 0.00 C ATOM 812 ND1 HIS A 62 -13.884 -36.868 11.230 1.00 0.00 N ATOM 813 CD2 HIS A 62 -13.633 -34.717 10.843 1.00 0.00 C ATOM 814 CE1 HIS A 62 -14.832 -36.218 11.890 1.00 0.00 C ATOM 815 NE2 HIS A 62 -14.675 -34.885 11.648 1.00 0.00 N ATOM 0 H HIS A 62 -9.189 -36.640 8.891 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.689 -35.385 11.120 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.927 -35.718 8.797 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -12.054 -37.368 9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.264 -33.770 10.477 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.595 -36.665 12.510 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.262 -34.140 12.024 1.00 0.00 H new ATOM 823 N HIS A 63 -10.137 -37.310 12.486 1.00 0.00 N ATOM 824 CA HIS A 63 -9.772 -38.422 13.347 1.00 0.00 C ATOM 825 C HIS A 63 -10.398 -39.712 12.813 1.00 0.00 C ATOM 826 O HIS A 63 -11.489 -39.688 12.246 1.00 0.00 O ATOM 827 CB HIS A 63 -10.156 -38.134 14.800 1.00 0.00 C ATOM 828 CG HIS A 63 -9.361 -38.923 15.813 1.00 0.00 C ATOM 829 ND1 HIS A 63 -9.952 -39.602 16.865 1.00 0.00 N ATOM 830 CD2 HIS A 63 -8.019 -39.134 15.925 1.00 0.00 C ATOM 831 CE1 HIS A 63 -8.998 -40.191 17.571 1.00 0.00 C ATOM 832 NE2 HIS A 63 -7.801 -39.899 16.987 1.00 0.00 N ATOM 0 H HIS A 63 -10.354 -36.443 12.978 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.690 -38.553 13.338 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -10.022 -37.070 14.997 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.215 -38.352 14.935 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.261 -38.744 15.261 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.143 -40.796 18.454 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.888 -40.216 17.313 1.00 0.00 H new ATOM 840 N HIS A 64 -9.680 -40.808 13.014 1.00 0.00 N ATOM 841 CA HIS A 64 -10.152 -42.105 12.559 1.00 0.00 C ATOM 842 C HIS A 64 -9.271 -43.207 13.151 1.00 0.00 C ATOM 843 O HIS A 64 -8.070 -43.015 13.336 1.00 0.00 O ATOM 844 CB HIS A 64 -10.217 -42.154 11.032 1.00 0.00 C ATOM 845 CG HIS A 64 -11.479 -42.785 10.492 1.00 0.00 C ATOM 846 ND1 HIS A 64 -11.492 -44.021 9.870 1.00 0.00 N ATOM 847 CD2 HIS A 64 -12.767 -42.338 10.487 1.00 0.00 C ATOM 848 CE1 HIS A 64 -12.738 -44.295 9.511 1.00 0.00 C ATOM 849 NE2 HIS A 64 -13.526 -43.251 9.894 1.00 0.00 N ATOM 0 H HIS A 64 -8.776 -40.824 13.485 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.169 -42.271 12.913 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.134 -41.139 10.642 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -9.357 -42.710 10.659 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.111 -41.400 10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.071 -45.189 9.004 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.533 -43.183 9.749 1.00 0.00 H new ATOM 857 N HIS A 65 -9.902 -44.338 13.432 1.00 0.00 N ATOM 858 CA HIS A 65 -9.191 -45.471 13.999 1.00 0.00 C ATOM 859 C HIS A 65 -10.190 -46.435 14.640 1.00 0.00 C ATOM 860 O HIS A 65 -10.867 -46.083 15.605 1.00 0.00 O ATOM 861 CB HIS A 65 -8.110 -45.001 14.975 1.00 0.00 C ATOM 862 CG HIS A 65 -6.713 -45.027 14.404 1.00 0.00 C ATOM 863 ND1 HIS A 65 -6.277 -45.184 13.121 1.00 0.00 N flip ATOM 864 CD2 HIS A 65 -5.580 -44.882 15.186 1.00 0.00 C flip ATOM 865 CE1 HIS A 65 -4.951 -45.136 13.119 1.00 0.00 C flip ATOM 866 NE2 HIS A 65 -4.517 -44.949 14.398 1.00 0.00 N flip ATOM 0 H HIS A 65 -10.898 -44.494 13.277 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.673 -46.013 13.208 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.341 -43.985 15.296 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.140 -45.630 15.864 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -6.870 -45.316 12.302 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.565 -44.739 16.256 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.320 -45.230 12.248 1.00 0.00 H new ATOM 874 N GLN A 66 -10.252 -47.634 14.078 1.00 0.00 N ATOM 875 CA GLN A 66 -11.157 -48.652 14.582 1.00 0.00 C ATOM 876 C GLN A 66 -10.838 -48.968 16.045 1.00 0.00 C ATOM 877 O GLN A 66 -9.864 -48.458 16.596 1.00 0.00 O ATOM 878 CB GLN A 66 -11.096 -49.915 13.722 1.00 0.00 C ATOM 879 CG GLN A 66 -9.711 -50.562 13.795 1.00 0.00 C ATOM 880 CD GLN A 66 -9.113 -50.736 12.397 1.00 0.00 C ATOM 881 OE1 GLN A 66 -8.394 -49.890 11.892 1.00 0.00 O ATOM 882 NE2 GLN A 66 -9.449 -51.878 11.804 1.00 0.00 N ATOM 0 H GLN A 66 -9.689 -47.923 13.278 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.175 -48.265 14.528 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.851 -50.625 14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.331 -49.666 12.687 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.049 -49.946 14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.784 -51.532 14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.055 -52.543 12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.100 -52.089 10.869 1.00 0.00 H new ATOM 891 N THR A 67 -11.677 -49.809 16.632 1.00 0.00 N ATOM 892 CA THR A 67 -11.497 -50.199 18.020 1.00 0.00 C ATOM 893 C THR A 67 -10.208 -51.007 18.183 1.00 0.00 C ATOM 894 O THR A 67 -9.529 -51.305 17.201 1.00 0.00 O ATOM 895 CB THR A 67 -12.749 -50.957 18.464 1.00 0.00 C ATOM 896 OG1 THR A 67 -13.213 -51.590 17.275 1.00 0.00 O ATOM 897 CG2 THR A 67 -13.893 -50.019 18.857 1.00 0.00 C ATOM 0 H THR A 67 -12.483 -50.231 16.172 1.00 0.00 H new ATOM 0 HA THR A 67 -11.382 -49.327 18.664 1.00 0.00 H new ATOM 0 HB THR A 67 -12.502 -51.602 19.307 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.023 -52.105 17.473 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.757 -50.608 19.164 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.575 -49.384 19.683 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.163 -49.397 18.004 1.00 0.00 H new ATOM 905 N ARG A 68 -9.909 -51.339 19.430 1.00 0.00 N ATOM 906 CA ARG A 68 -8.714 -52.106 19.735 1.00 0.00 C ATOM 907 C ARG A 68 -8.609 -52.350 21.242 1.00 0.00 C ATOM 908 O ARG A 68 -8.670 -51.410 22.032 1.00 0.00 O ATOM 909 CB ARG A 68 -7.455 -51.380 19.255 1.00 0.00 C ATOM 910 CG ARG A 68 -6.211 -52.245 19.460 1.00 0.00 C ATOM 911 CD ARG A 68 -4.934 -51.418 19.297 1.00 0.00 C ATOM 912 NE ARG A 68 -3.787 -52.308 19.012 1.00 0.00 N ATOM 913 CZ ARG A 68 -2.497 -51.973 19.228 1.00 0.00 C ATOM 914 NH1 ARG A 68 -2.179 -50.762 19.735 1.00 0.00 N ATOM 915 NH2 ARG A 68 -1.551 -52.846 18.937 1.00 0.00 N ATOM 0 H ARG A 68 -10.475 -51.090 20.242 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.791 -53.060 19.213 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.557 -51.128 18.200 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.343 -50.441 19.798 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.234 -52.692 20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.212 -53.065 18.742 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.057 -50.699 18.487 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.744 -50.845 20.205 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.983 -53.233 18.628 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.916 -50.093 19.958 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.202 -50.517 19.895 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.799 -53.759 18.555 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.572 -52.608 19.094 1.00 0.00 H new ATOM 928 N GLY A 69 -8.453 -53.618 21.594 1.00 0.00 N ATOM 929 CA GLY A 69 -8.340 -53.998 22.992 1.00 0.00 C ATOM 930 C GLY A 69 -6.891 -54.334 23.353 1.00 0.00 C ATOM 931 O GLY A 69 -6.179 -53.503 23.916 1.00 0.00 O ATOM 0 H GLY A 69 -8.402 -54.395 20.935 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.697 -53.185 23.624 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.977 -54.859 23.191 1.00 0.00 H new ATOM 935 N ALA A 70 -6.498 -55.553 23.014 1.00 0.00 N ATOM 936 CA ALA A 70 -5.148 -56.009 23.296 1.00 0.00 C ATOM 937 C ALA A 70 -4.893 -55.935 24.803 1.00 0.00 C ATOM 938 O ALA A 70 -4.236 -55.011 25.280 1.00 0.00 O ATOM 939 CB ALA A 70 -4.149 -55.172 22.494 1.00 0.00 C ATOM 0 H ALA A 70 -7.091 -56.239 22.547 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.022 -57.048 22.991 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.136 -55.514 22.705 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.354 -55.282 21.429 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.244 -54.123 22.776 1.00 0.00 H new ATOM 945 N TYR A 71 -5.426 -56.921 25.510 1.00 0.00 N ATOM 946 CA TYR A 71 -5.264 -56.979 26.953 1.00 0.00 C ATOM 947 C TYR A 71 -4.871 -58.387 27.404 1.00 0.00 C ATOM 948 O TYR A 71 -5.271 -59.374 26.789 1.00 0.00 O ATOM 949 CB TYR A 71 -6.631 -56.630 27.544 1.00 0.00 C ATOM 950 CG TYR A 71 -6.828 -57.114 28.982 1.00 0.00 C ATOM 951 CD1 TYR A 71 -6.084 -56.561 30.005 1.00 0.00 C ATOM 952 CD2 TYR A 71 -7.751 -58.103 29.257 1.00 0.00 C ATOM 953 CE1 TYR A 71 -6.270 -57.017 31.358 1.00 0.00 C ATOM 954 CE2 TYR A 71 -7.937 -58.558 30.610 1.00 0.00 C ATOM 955 CZ TYR A 71 -7.187 -57.993 31.594 1.00 0.00 C ATOM 956 OH TYR A 71 -7.362 -58.423 32.872 1.00 0.00 O ATOM 0 H TYR A 71 -5.970 -57.686 25.111 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.480 -56.296 27.280 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.763 -55.548 27.514 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.409 -57.064 26.916 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.363 -55.786 29.790 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.334 -58.535 28.457 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.694 -56.593 32.167 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.656 -59.331 30.839 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.049 -59.121 32.891 1.00 0.00 H new ATOM 966 N SER A 72 -4.091 -58.435 28.474 1.00 0.00 N ATOM 967 CA SER A 72 -3.639 -59.705 29.015 1.00 0.00 C ATOM 968 C SER A 72 -4.778 -60.383 29.779 1.00 0.00 C ATOM 969 O SER A 72 -5.081 -60.008 30.910 1.00 0.00 O ATOM 970 CB SER A 72 -2.426 -59.515 29.928 1.00 0.00 C ATOM 971 OG SER A 72 -2.752 -58.772 31.100 1.00 0.00 O ATOM 0 H SER A 72 -3.760 -57.614 28.981 1.00 0.00 H new ATOM 0 HA SER A 72 -3.337 -60.343 28.184 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.032 -60.490 30.215 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.637 -59.000 29.380 1.00 0.00 H new ATOM 0 HG SER A 72 -3.590 -59.110 31.479 1.00 0.00 H new ATOM 977 N SER A 73 -5.378 -61.371 29.130 1.00 0.00 N ATOM 978 CA SER A 73 -6.476 -62.105 29.734 1.00 0.00 C ATOM 979 C SER A 73 -5.931 -63.200 30.653 1.00 0.00 C ATOM 980 O SER A 73 -4.989 -63.904 30.294 1.00 0.00 O ATOM 981 CB SER A 73 -7.386 -62.713 28.665 1.00 0.00 C ATOM 982 OG SER A 73 -6.648 -63.431 27.681 1.00 0.00 O ATOM 0 H SER A 73 -5.124 -61.680 28.192 1.00 0.00 H new ATOM 0 HA SER A 73 -7.070 -61.407 30.324 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.105 -63.382 29.139 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.958 -61.920 28.182 1.00 0.00 H new ATOM 0 HG SER A 73 -7.265 -63.805 27.018 1.00 0.00 H new ATOM 988 N HIS A 74 -6.548 -63.309 31.821 1.00 0.00 N ATOM 989 CA HIS A 74 -6.136 -64.307 32.794 1.00 0.00 C ATOM 990 C HIS A 74 -4.731 -63.979 33.302 1.00 0.00 C ATOM 991 O HIS A 74 -3.870 -63.559 32.530 1.00 0.00 O ATOM 992 CB HIS A 74 -6.240 -65.715 32.205 1.00 0.00 C ATOM 993 CG HIS A 74 -5.346 -66.730 32.877 1.00 0.00 C ATOM 994 ND1 HIS A 74 -5.793 -67.583 33.870 1.00 0.00 N ATOM 995 CD2 HIS A 74 -4.026 -67.018 32.687 1.00 0.00 C ATOM 996 CE1 HIS A 74 -4.780 -68.346 34.254 1.00 0.00 C ATOM 997 NE2 HIS A 74 -3.686 -67.994 33.520 1.00 0.00 N ATOM 0 H HIS A 74 -7.329 -62.723 32.115 1.00 0.00 H new ATOM 0 HA HIS A 74 -6.809 -64.284 33.651 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.274 -66.052 32.277 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.992 -65.673 31.144 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.369 -66.534 31.979 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.815 -69.112 35.015 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.759 -68.412 33.598 1.00 0.00 H new ATOM 1005 N ASP A 75 -4.542 -64.184 34.597 1.00 0.00 N ATOM 1006 CA ASP A 75 -3.256 -63.915 35.217 1.00 0.00 C ATOM 1007 C ASP A 75 -2.151 -64.591 34.403 1.00 0.00 C ATOM 1008 O ASP A 75 -1.225 -63.930 33.937 1.00 0.00 O ATOM 1009 CB ASP A 75 -3.204 -64.473 36.641 1.00 0.00 C ATOM 1010 CG ASP A 75 -4.406 -64.120 37.519 1.00 0.00 C ATOM 1011 OD1 ASP A 75 -5.521 -64.620 37.306 1.00 0.00 O ATOM 1012 OD2 ASP A 75 -4.161 -63.282 38.468 1.00 0.00 O ATOM 0 H ASP A 75 -5.258 -64.533 35.234 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.115 -62.835 35.248 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.119 -65.558 36.587 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.299 -64.106 37.126 1.00 0.00 H new TER 1018 ASP A 75