USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=18 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 -131:sc= -0.845 (180deg=-3.96!) USER MOD Single : A 1 MET N :NH3+ -98:sc= -0.0594 (180deg=-0.948) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 38:sc= 0.0675 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 54:sc= -0.164 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 45:sc= 0.516 USER MOD Single : A 16 HIS : no HD1:sc= -0.796 X(o=-0.8,f=-0.44) USER MOD Single : A 17 MET CE :methyl 139:sc= -0.89 (180deg=-3.17!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.042) USER MOD Single : A 35 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.0085) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.0073) USER MOD Single : A 63 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.33) USER MOD Single : A 64 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 65 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-4!) USER MOD Single : A 66 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.6!) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.293 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc=-0.00358 X(o=-0.0036,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.130 40.326 -9.218 1.00 0.00 N ATOM 2 CA MET A 1 -34.952 39.532 -9.520 1.00 0.00 C ATOM 3 C MET A 1 -34.869 38.306 -8.608 1.00 0.00 C ATOM 4 O MET A 1 -34.415 38.404 -7.469 1.00 0.00 O ATOM 5 CB MET A 1 -33.697 40.389 -9.337 1.00 0.00 C ATOM 6 CG MET A 1 -33.050 40.708 -10.686 1.00 0.00 C ATOM 7 SD MET A 1 -33.385 42.402 -11.139 1.00 0.00 S ATOM 8 CE MET A 1 -35.077 42.247 -11.687 1.00 0.00 C ATOM 0 H1 MET A 1 -36.889 40.090 -9.889 1.00 0.00 H new ATOM 0 H2 MET A 1 -36.448 40.121 -8.249 1.00 0.00 H new ATOM 0 H3 MET A 1 -35.898 41.336 -9.300 1.00 0.00 H new ATOM 0 HA MET A 1 -35.022 39.190 -10.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.957 41.316 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.983 39.864 -8.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.974 40.544 -10.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -33.436 40.035 -11.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -35.191 42.731 -12.657 1.00 0.00 H new ATOM 0 HE2 MET A 1 -35.336 41.192 -11.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -35.739 42.723 -10.964 1.00 0.00 H new ATOM 18 N GLU A 2 -35.316 37.179 -9.143 1.00 0.00 N ATOM 19 CA GLU A 2 -35.298 35.935 -8.393 1.00 0.00 C ATOM 20 C GLU A 2 -34.499 34.871 -9.147 1.00 0.00 C ATOM 21 O GLU A 2 -34.715 34.656 -10.338 1.00 0.00 O ATOM 22 CB GLU A 2 -36.720 35.450 -8.102 1.00 0.00 C ATOM 23 CG GLU A 2 -36.897 35.128 -6.617 1.00 0.00 C ATOM 24 CD GLU A 2 -38.269 35.585 -6.117 1.00 0.00 C ATOM 25 OE1 GLU A 2 -38.504 36.794 -5.969 1.00 0.00 O ATOM 26 OE2 GLU A 2 -39.108 34.634 -5.880 1.00 0.00 O ATOM 0 H GLU A 2 -35.693 37.102 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 2 -34.808 36.118 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -37.437 36.215 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -36.935 34.563 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -36.787 34.055 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -36.113 35.618 -6.039 1.00 0.00 H new ATOM 34 N VAL A 3 -33.592 34.233 -8.422 1.00 0.00 N ATOM 35 CA VAL A 3 -32.759 33.197 -9.008 1.00 0.00 C ATOM 36 C VAL A 3 -33.648 32.182 -9.729 1.00 0.00 C ATOM 37 O VAL A 3 -34.840 32.082 -9.444 1.00 0.00 O ATOM 38 CB VAL A 3 -31.879 32.561 -7.930 1.00 0.00 C ATOM 39 CG1 VAL A 3 -30.847 31.617 -8.550 1.00 0.00 C ATOM 40 CG2 VAL A 3 -31.198 33.632 -7.075 1.00 0.00 C ATOM 0 H VAL A 3 -33.416 34.414 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 3 -32.084 33.624 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 3 -32.523 31.971 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -30.235 31.179 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -31.360 30.824 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.210 32.175 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.579 33.153 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.573 34.261 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -31.956 34.246 -6.589 1.00 0.00 H new ATOM 50 N ALA A 4 -33.033 31.454 -10.650 1.00 0.00 N ATOM 51 CA ALA A 4 -33.754 30.450 -11.415 1.00 0.00 C ATOM 52 C ALA A 4 -33.855 29.164 -10.592 1.00 0.00 C ATOM 53 O ALA A 4 -33.154 29.005 -9.594 1.00 0.00 O ATOM 54 CB ALA A 4 -33.052 30.230 -12.757 1.00 0.00 C ATOM 0 H ALA A 4 -32.044 31.539 -10.884 1.00 0.00 H new ATOM 0 HA ALA A 4 -34.769 30.785 -11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -33.592 29.477 -13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -33.032 31.166 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -32.031 29.890 -12.582 1.00 0.00 H new ATOM 60 N MET A 5 -34.734 28.280 -11.041 1.00 0.00 N ATOM 61 CA MET A 5 -34.936 27.014 -10.359 1.00 0.00 C ATOM 62 C MET A 5 -34.611 25.836 -11.280 1.00 0.00 C ATOM 63 O MET A 5 -34.841 25.905 -12.486 1.00 0.00 O ATOM 64 CB MET A 5 -36.390 26.911 -9.893 1.00 0.00 C ATOM 65 CG MET A 5 -37.354 27.043 -11.074 1.00 0.00 C ATOM 66 SD MET A 5 -38.589 25.756 -11.001 1.00 0.00 S ATOM 67 CE MET A 5 -40.044 26.697 -11.430 1.00 0.00 C ATOM 0 H MET A 5 -35.314 28.416 -11.869 1.00 0.00 H new ATOM 0 HA MET A 5 -34.266 26.975 -9.500 1.00 0.00 H new ATOM 0 HB2 MET A 5 -36.549 25.955 -9.394 1.00 0.00 H new ATOM 0 HB3 MET A 5 -36.597 27.691 -9.161 1.00 0.00 H new ATOM 0 HG2 MET A 5 -37.835 28.021 -11.054 1.00 0.00 H new ATOM 0 HG3 MET A 5 -36.804 26.977 -12.012 1.00 0.00 H new ATOM 0 HE1 MET A 5 -40.914 26.041 -11.431 1.00 0.00 H new ATOM 0 HE2 MET A 5 -40.191 27.493 -10.700 1.00 0.00 H new ATOM 0 HE3 MET A 5 -39.917 27.132 -12.421 1.00 0.00 H new ATOM 77 N VAL A 6 -34.080 24.783 -10.677 1.00 0.00 N ATOM 78 CA VAL A 6 -33.720 23.593 -11.428 1.00 0.00 C ATOM 79 C VAL A 6 -34.750 22.494 -11.158 1.00 0.00 C ATOM 80 O VAL A 6 -35.803 22.754 -10.579 1.00 0.00 O ATOM 81 CB VAL A 6 -32.290 23.169 -11.084 1.00 0.00 C ATOM 82 CG1 VAL A 6 -32.261 22.323 -9.809 1.00 0.00 C ATOM 83 CG2 VAL A 6 -31.644 22.422 -12.253 1.00 0.00 C ATOM 0 H VAL A 6 -33.890 24.729 -9.676 1.00 0.00 H new ATOM 0 HA VAL A 6 -33.735 23.798 -12.498 1.00 0.00 H new ATOM 0 HB VAL A 6 -31.707 24.072 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -31.234 22.035 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -32.663 22.903 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -32.866 21.428 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -30.629 22.132 -11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -32.227 21.530 -12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -31.615 23.071 -13.128 1.00 0.00 H new ATOM 93 N SER A 7 -34.410 21.289 -11.591 1.00 0.00 N ATOM 94 CA SER A 7 -35.292 20.149 -11.403 1.00 0.00 C ATOM 95 C SER A 7 -34.468 18.872 -11.234 1.00 0.00 C ATOM 96 O SER A 7 -33.657 18.533 -12.095 1.00 0.00 O ATOM 97 CB SER A 7 -36.261 20.004 -12.578 1.00 0.00 C ATOM 98 OG SER A 7 -35.587 20.028 -13.833 1.00 0.00 O ATOM 0 H SER A 7 -33.536 21.077 -12.072 1.00 0.00 H new ATOM 0 HA SER A 7 -35.880 20.316 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 7 -36.812 19.068 -12.480 1.00 0.00 H new ATOM 0 HB3 SER A 7 -36.994 20.810 -12.545 1.00 0.00 H new ATOM 0 HG SER A 7 -34.734 19.553 -13.755 1.00 0.00 H new ATOM 104 N ALA A 8 -34.703 18.197 -10.119 1.00 0.00 N ATOM 105 CA ALA A 8 -33.993 16.963 -9.826 1.00 0.00 C ATOM 106 C ALA A 8 -34.757 15.784 -10.430 1.00 0.00 C ATOM 107 O ALA A 8 -35.580 15.163 -9.759 1.00 0.00 O ATOM 108 CB ALA A 8 -33.810 16.826 -8.313 1.00 0.00 C ATOM 0 H ALA A 8 -35.376 18.481 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.000 16.976 -10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -33.278 15.901 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -33.236 17.673 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -34.786 16.807 -7.829 1.00 0.00 H new ATOM 114 N GLU A 9 -34.458 15.510 -11.692 1.00 0.00 N ATOM 115 CA GLU A 9 -35.106 14.416 -12.394 1.00 0.00 C ATOM 116 C GLU A 9 -35.164 13.173 -11.503 1.00 0.00 C ATOM 117 O GLU A 9 -34.520 13.125 -10.456 1.00 0.00 O ATOM 118 CB GLU A 9 -34.393 14.112 -13.713 1.00 0.00 C ATOM 119 CG GLU A 9 -33.221 13.154 -13.494 1.00 0.00 C ATOM 120 CD GLU A 9 -32.179 13.767 -12.556 1.00 0.00 C ATOM 121 OE1 GLU A 9 -32.389 13.803 -11.335 1.00 0.00 O ATOM 122 OE2 GLU A 9 -31.119 14.217 -13.138 1.00 0.00 O ATOM 0 H GLU A 9 -33.775 16.027 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 9 -36.126 14.717 -12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -35.098 13.674 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -34.031 15.039 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.586 12.217 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.758 12.915 -14.451 1.00 0.00 H new ATOM 130 N SER A 10 -35.942 12.198 -11.951 1.00 0.00 N ATOM 131 CA SER A 10 -36.092 10.959 -11.207 1.00 0.00 C ATOM 132 C SER A 10 -36.971 9.982 -11.991 1.00 0.00 C ATOM 133 O SER A 10 -37.760 10.395 -12.840 1.00 0.00 O ATOM 134 CB SER A 10 -36.689 11.217 -9.823 1.00 0.00 C ATOM 135 OG SER A 10 -38.092 11.460 -9.883 1.00 0.00 O ATOM 0 H SER A 10 -36.475 12.241 -12.820 1.00 0.00 H new ATOM 0 HA SER A 10 -35.104 10.520 -11.070 1.00 0.00 H new ATOM 0 HB2 SER A 10 -36.497 10.358 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 -36.192 12.074 -9.368 1.00 0.00 H new ATOM 0 HG SER A 10 -38.436 11.618 -8.979 1.00 0.00 H new ATOM 141 N SER A 11 -36.805 8.705 -11.678 1.00 0.00 N ATOM 142 CA SER A 11 -37.573 7.666 -12.343 1.00 0.00 C ATOM 143 C SER A 11 -37.199 6.295 -11.776 1.00 0.00 C ATOM 144 O SER A 11 -36.054 6.072 -11.387 1.00 0.00 O ATOM 145 CB SER A 11 -37.346 7.695 -13.855 1.00 0.00 C ATOM 146 OG SER A 11 -37.924 6.566 -14.504 1.00 0.00 O ATOM 0 H SER A 11 -36.150 8.367 -10.973 1.00 0.00 H new ATOM 0 HA SER A 11 -38.631 7.852 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 11 -37.773 8.609 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 11 -36.276 7.723 -14.060 1.00 0.00 H new ATOM 0 HG SER A 11 -37.759 6.623 -15.468 1.00 0.00 H new ATOM 152 N GLY A 12 -38.187 5.413 -11.746 1.00 0.00 N ATOM 153 CA GLY A 12 -37.976 4.070 -11.234 1.00 0.00 C ATOM 154 C GLY A 12 -38.349 3.984 -9.752 1.00 0.00 C ATOM 155 O GLY A 12 -38.257 4.972 -9.027 1.00 0.00 O ATOM 0 H GLY A 12 -39.136 5.602 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -38.575 3.361 -11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -36.932 3.786 -11.367 1.00 0.00 H new ATOM 159 N CYS A 13 -38.764 2.792 -9.348 1.00 0.00 N ATOM 160 CA CYS A 13 -39.152 2.563 -7.967 1.00 0.00 C ATOM 161 C CYS A 13 -38.593 1.208 -7.528 1.00 0.00 C ATOM 162 O CYS A 13 -39.340 0.340 -7.080 1.00 0.00 O ATOM 163 CB CYS A 13 -40.669 2.640 -7.785 1.00 0.00 C ATOM 164 SG CYS A 13 -41.488 1.366 -8.812 1.00 0.00 S ATOM 0 H CYS A 13 -38.840 1.975 -9.953 1.00 0.00 H new ATOM 0 HA CYS A 13 -38.736 3.348 -7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -40.926 2.493 -6.736 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -41.027 3.631 -8.065 1.00 0.00 H new ATOM 0 HG CYS A 13 -40.977 0.200 -8.547 1.00 0.00 H new ATOM 170 N ASN A 14 -37.283 1.070 -7.673 1.00 0.00 N ATOM 171 CA ASN A 14 -36.615 -0.165 -7.298 1.00 0.00 C ATOM 172 C ASN A 14 -36.014 -0.009 -5.899 1.00 0.00 C ATOM 173 O ASN A 14 -35.059 -0.702 -5.550 1.00 0.00 O ATOM 174 CB ASN A 14 -35.478 -0.493 -8.267 1.00 0.00 C ATOM 175 CG ASN A 14 -35.821 -1.715 -9.121 1.00 0.00 C ATOM 176 OD1 ASN A 14 -35.674 -2.854 -8.708 1.00 0.00 O ATOM 177 ND2 ASN A 14 -36.285 -1.417 -10.331 1.00 0.00 N ATOM 0 H ASN A 14 -36.667 1.793 -8.045 1.00 0.00 H new ATOM 0 HA ASN A 14 -37.352 -0.968 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -35.287 0.364 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -34.562 -0.681 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -36.543 -2.164 -10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -36.383 -0.442 -10.614 1.00 0.00 H new ATOM 184 N SER A 15 -36.597 0.904 -5.137 1.00 0.00 N ATOM 185 CA SER A 15 -36.131 1.159 -3.785 1.00 0.00 C ATOM 186 C SER A 15 -36.949 2.287 -3.153 1.00 0.00 C ATOM 187 O SER A 15 -36.745 3.458 -3.469 1.00 0.00 O ATOM 188 CB SER A 15 -34.642 1.511 -3.773 1.00 0.00 C ATOM 189 OG SER A 15 -34.350 2.620 -4.618 1.00 0.00 O ATOM 0 H SER A 15 -37.388 1.477 -5.430 1.00 0.00 H new ATOM 0 HA SER A 15 -36.266 0.250 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 -34.332 1.740 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 15 -34.062 0.646 -4.096 1.00 0.00 H new ATOM 0 HG SER A 15 -35.013 3.327 -4.471 1.00 0.00 H new ATOM 195 N HIS A 16 -37.858 1.895 -2.272 1.00 0.00 N ATOM 196 CA HIS A 16 -38.707 2.859 -1.594 1.00 0.00 C ATOM 197 C HIS A 16 -38.991 2.380 -0.169 1.00 0.00 C ATOM 198 O HIS A 16 -40.096 1.930 0.130 1.00 0.00 O ATOM 199 CB HIS A 16 -39.983 3.119 -2.397 1.00 0.00 C ATOM 200 CG HIS A 16 -41.059 3.842 -1.624 1.00 0.00 C ATOM 201 ND1 HIS A 16 -42.410 3.615 -1.826 1.00 0.00 N ATOM 202 CD2 HIS A 16 -40.971 4.789 -0.645 1.00 0.00 C ATOM 203 CE1 HIS A 16 -43.093 4.396 -1.002 1.00 0.00 C ATOM 204 NE2 HIS A 16 -42.200 5.123 -0.272 1.00 0.00 N ATOM 0 H HIS A 16 -38.025 0.923 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 16 -38.191 3.816 -1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -39.730 3.704 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -40.380 2.166 -2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -40.056 5.197 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -44.169 4.448 -0.922 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -42.437 5.810 0.443 1.00 0.00 H new ATOM 212 N MET A 17 -37.974 2.494 0.673 1.00 0.00 N ATOM 213 CA MET A 17 -38.100 2.077 2.059 1.00 0.00 C ATOM 214 C MET A 17 -39.494 2.398 2.603 1.00 0.00 C ATOM 215 O MET A 17 -39.760 3.528 3.011 1.00 0.00 O ATOM 216 CB MET A 17 -37.045 2.792 2.905 1.00 0.00 C ATOM 217 CG MET A 17 -35.639 2.294 2.563 1.00 0.00 C ATOM 218 SD MET A 17 -35.236 0.871 3.563 1.00 0.00 S ATOM 219 CE MET A 17 -35.828 -0.434 2.497 1.00 0.00 C ATOM 0 H MET A 17 -37.059 2.869 0.422 1.00 0.00 H new ATOM 0 HA MET A 17 -37.950 0.999 2.110 1.00 0.00 H new ATOM 0 HB2 MET A 17 -37.105 3.867 2.736 1.00 0.00 H new ATOM 0 HB3 MET A 17 -37.247 2.624 3.963 1.00 0.00 H new ATOM 0 HG2 MET A 17 -35.583 2.034 1.506 1.00 0.00 H new ATOM 0 HG3 MET A 17 -34.911 3.087 2.735 1.00 0.00 H new ATOM 0 HE1 MET A 17 -35.120 -1.263 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 17 -36.799 -0.781 2.851 1.00 0.00 H new ATOM 0 HE3 MET A 17 -35.927 -0.056 1.480 1.00 0.00 H new ATOM 229 N PRO A 18 -40.370 1.358 2.591 1.00 0.00 N ATOM 230 CA PRO A 18 -41.729 1.518 3.079 1.00 0.00 C ATOM 231 C PRO A 18 -41.761 1.572 4.607 1.00 0.00 C ATOM 232 O PRO A 18 -40.723 1.731 5.248 1.00 0.00 O ATOM 233 CB PRO A 18 -42.493 0.333 2.510 1.00 0.00 C ATOM 234 CG PRO A 18 -41.441 -0.690 2.115 1.00 0.00 C ATOM 235 CD PRO A 18 -40.090 0.006 2.115 1.00 0.00 C ATOM 0 HA PRO A 18 -42.182 2.457 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -43.181 -0.079 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -43.091 0.631 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -41.440 -1.526 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -41.659 -1.100 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -39.381 -0.505 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -39.652 0.020 1.117 1.00 0.00 H new ATOM 243 N TYR A 19 -42.963 1.437 5.147 1.00 0.00 N ATOM 244 CA TYR A 19 -43.144 1.469 6.589 1.00 0.00 C ATOM 245 C TYR A 19 -42.118 0.576 7.290 1.00 0.00 C ATOM 246 O TYR A 19 -41.349 -0.125 6.634 1.00 0.00 O ATOM 247 CB TYR A 19 -44.546 0.917 6.851 1.00 0.00 C ATOM 248 CG TYR A 19 -44.927 -0.263 5.954 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.544 -1.543 6.298 1.00 0.00 C ATOM 250 CD2 TYR A 19 -45.655 -0.047 4.801 1.00 0.00 C ATOM 251 CE1 TYR A 19 -44.903 -2.654 5.455 1.00 0.00 C ATOM 252 CE2 TYR A 19 -46.014 -1.158 3.958 1.00 0.00 C ATOM 253 CZ TYR A 19 -45.620 -2.406 4.326 1.00 0.00 C ATOM 254 OH TYR A 19 -45.959 -3.455 3.529 1.00 0.00 O ATOM 0 H TYR A 19 -43.822 1.305 4.612 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.016 2.483 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.614 0.605 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.273 1.717 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.975 -1.712 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -45.955 0.955 4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.610 -3.661 5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -46.584 -1.003 3.054 1.00 0.00 H new ATOM 0 HH TYR A 19 -46.471 -3.129 2.759 1.00 0.00 H new ATOM 264 N GLY A 20 -42.139 0.631 8.613 1.00 0.00 N ATOM 265 CA GLY A 20 -41.221 -0.165 9.410 1.00 0.00 C ATOM 266 C GLY A 20 -39.820 0.452 9.411 1.00 0.00 C ATOM 267 O GLY A 20 -38.911 -0.064 10.060 1.00 0.00 O ATOM 0 H GLY A 20 -42.777 1.215 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.591 -0.238 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -41.175 -1.180 9.014 1.00 0.00 H new ATOM 271 N TYR A 21 -39.690 1.546 8.676 1.00 0.00 N ATOM 272 CA TYR A 21 -38.416 2.238 8.583 1.00 0.00 C ATOM 273 C TYR A 21 -38.143 3.056 9.848 1.00 0.00 C ATOM 274 O TYR A 21 -37.020 3.506 10.069 1.00 0.00 O ATOM 275 CB TYR A 21 -38.538 3.190 7.392 1.00 0.00 C ATOM 276 CG TYR A 21 -39.392 4.428 7.669 1.00 0.00 C ATOM 277 CD1 TYR A 21 -38.871 5.476 8.401 1.00 0.00 C ATOM 278 CD2 TYR A 21 -40.684 4.498 7.188 1.00 0.00 C ATOM 279 CE1 TYR A 21 -39.675 6.642 8.662 1.00 0.00 C ATOM 280 CE2 TYR A 21 -41.488 5.664 7.450 1.00 0.00 C ATOM 281 CZ TYR A 21 -40.944 6.678 8.174 1.00 0.00 C ATOM 282 OH TYR A 21 -41.703 7.779 8.421 1.00 0.00 O ATOM 0 H TYR A 21 -40.446 1.971 8.139 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.600 1.525 8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.540 3.510 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.966 2.648 6.549 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.860 5.422 8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -41.092 3.678 6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -39.279 7.469 9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -42.500 5.731 7.080 1.00 0.00 H new ATOM 0 HH TYR A 21 -42.586 7.666 8.011 1.00 0.00 H new ATOM 292 N ALA A 22 -39.189 3.223 10.643 1.00 0.00 N ATOM 293 CA ALA A 22 -39.076 3.978 11.879 1.00 0.00 C ATOM 294 C ALA A 22 -38.327 3.140 12.917 1.00 0.00 C ATOM 295 O ALA A 22 -37.540 3.672 13.699 1.00 0.00 O ATOM 296 CB ALA A 22 -40.471 4.387 12.357 1.00 0.00 C ATOM 0 H ALA A 22 -40.119 2.848 10.455 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.505 4.892 11.719 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.386 4.953 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.949 5.005 11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.072 3.495 12.531 1.00 0.00 H new ATOM 302 N ALA A 23 -38.598 1.844 12.892 1.00 0.00 N ATOM 303 CA ALA A 23 -37.959 0.927 13.821 1.00 0.00 C ATOM 304 C ALA A 23 -36.499 0.725 13.409 1.00 0.00 C ATOM 305 O ALA A 23 -35.739 0.062 14.112 1.00 0.00 O ATOM 306 CB ALA A 23 -38.741 -0.387 13.860 1.00 0.00 C ATOM 0 H ALA A 23 -39.252 1.406 12.243 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.963 1.339 14.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.262 -1.075 14.557 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.763 -0.193 14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.756 -0.831 12.865 1.00 0.00 H new ATOM 312 N GLN A 24 -36.153 1.309 12.271 1.00 0.00 N ATOM 313 CA GLN A 24 -34.798 1.201 11.757 1.00 0.00 C ATOM 314 C GLN A 24 -33.929 2.332 12.310 1.00 0.00 C ATOM 315 O GLN A 24 -32.736 2.402 12.020 1.00 0.00 O ATOM 316 CB GLN A 24 -34.790 1.202 10.227 1.00 0.00 C ATOM 317 CG GLN A 24 -34.823 -0.226 9.678 1.00 0.00 C ATOM 318 CD GLN A 24 -33.408 -0.783 9.515 1.00 0.00 C ATOM 319 OE1 GLN A 24 -32.596 -0.275 8.760 1.00 0.00 O ATOM 320 NE2 GLN A 24 -33.159 -1.855 10.262 1.00 0.00 N ATOM 0 H GLN A 24 -36.787 1.858 11.691 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.379 0.251 12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.651 1.758 9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.899 1.714 9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -35.394 -0.865 10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.335 -0.238 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.884 -2.230 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.243 -2.302 10.223 1.00 0.00 H new ATOM 329 N ALA A 25 -34.561 3.190 13.097 1.00 0.00 N ATOM 330 CA ALA A 25 -33.861 4.315 13.694 1.00 0.00 C ATOM 331 C ALA A 25 -32.737 3.792 14.592 1.00 0.00 C ATOM 332 O ALA A 25 -31.792 4.518 14.895 1.00 0.00 O ATOM 333 CB ALA A 25 -34.857 5.191 14.457 1.00 0.00 C ATOM 0 H ALA A 25 -35.551 3.129 13.335 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.406 4.936 12.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.331 6.035 14.904 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.618 5.561 13.769 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.333 4.602 15.242 1.00 0.00 H new ATOM 339 N ARG A 26 -32.878 2.537 14.992 1.00 0.00 N ATOM 340 CA ARG A 26 -31.887 1.909 15.848 1.00 0.00 C ATOM 341 C ARG A 26 -30.608 1.621 15.059 1.00 0.00 C ATOM 342 O ARG A 26 -29.513 1.639 15.617 1.00 0.00 O ATOM 343 CB ARG A 26 -32.419 0.601 16.438 1.00 0.00 C ATOM 344 CG ARG A 26 -31.841 0.354 17.834 1.00 0.00 C ATOM 345 CD ARG A 26 -32.957 0.125 18.856 1.00 0.00 C ATOM 346 NE ARG A 26 -33.053 1.286 19.768 1.00 0.00 N ATOM 347 CZ ARG A 26 -32.304 1.438 20.881 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.396 0.502 21.229 1.00 0.00 N ATOM 349 NH2 ARG A 26 -32.474 2.515 21.625 1.00 0.00 N ATOM 0 H ARG A 26 -33.664 1.938 14.739 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.667 2.600 16.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.507 0.638 16.492 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.161 -0.230 15.781 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.181 -0.513 17.810 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.235 1.208 18.137 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.907 -0.024 18.342 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -32.758 -0.782 19.428 1.00 0.00 H new ATOM 0 HE ARG A 26 -33.727 2.017 19.542 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -31.271 -0.328 20.649 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -30.834 0.625 22.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -33.163 3.217 21.356 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -31.916 2.645 22.469 1.00 0.00 H new ATOM 362 N ALA A 27 -30.791 1.364 13.772 1.00 0.00 N ATOM 363 CA ALA A 27 -29.665 1.073 12.900 1.00 0.00 C ATOM 364 C ALA A 27 -28.846 2.348 12.690 1.00 0.00 C ATOM 365 O ALA A 27 -27.631 2.286 12.505 1.00 0.00 O ATOM 366 CB ALA A 27 -30.178 0.486 11.584 1.00 0.00 C ATOM 0 H ALA A 27 -31.701 1.351 13.312 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.009 0.331 13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.334 0.268 10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.728 -0.433 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.838 1.205 11.098 1.00 0.00 H new ATOM 372 N ARG A 28 -29.543 3.474 12.727 1.00 0.00 N ATOM 373 CA ARG A 28 -28.895 4.762 12.543 1.00 0.00 C ATOM 374 C ARG A 28 -27.870 5.003 13.652 1.00 0.00 C ATOM 375 O ARG A 28 -26.860 5.671 13.435 1.00 0.00 O ATOM 376 CB ARG A 28 -29.919 5.899 12.548 1.00 0.00 C ATOM 377 CG ARG A 28 -29.461 7.052 11.652 1.00 0.00 C ATOM 378 CD ARG A 28 -29.071 8.273 12.488 1.00 0.00 C ATOM 379 NE ARG A 28 -28.297 9.226 11.661 1.00 0.00 N ATOM 380 CZ ARG A 28 -26.958 9.168 11.494 1.00 0.00 C ATOM 381 NH1 ARG A 28 -26.233 8.202 12.097 1.00 0.00 N ATOM 382 NH2 ARG A 28 -26.369 10.072 10.733 1.00 0.00 N ATOM 0 H ARG A 28 -30.550 3.521 12.882 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.392 4.746 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.883 5.526 12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -30.062 6.260 13.567 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.611 6.733 11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.260 7.320 10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.966 8.759 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.479 7.961 13.348 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.806 9.973 11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -26.696 7.508 12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -25.222 8.166 11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -26.924 10.799 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -25.359 10.043 10.596 1.00 0.00 H new ATOM 395 N GLU A 29 -28.165 4.447 14.818 1.00 0.00 N ATOM 396 CA GLU A 29 -27.281 4.593 15.962 1.00 0.00 C ATOM 397 C GLU A 29 -26.125 3.595 15.871 1.00 0.00 C ATOM 398 O GLU A 29 -25.055 3.826 16.432 1.00 0.00 O ATOM 399 CB GLU A 29 -28.049 4.423 17.274 1.00 0.00 C ATOM 400 CG GLU A 29 -28.021 5.713 18.097 1.00 0.00 C ATOM 401 CD GLU A 29 -29.297 5.860 18.929 1.00 0.00 C ATOM 402 OE1 GLU A 29 -29.600 4.990 19.758 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.984 6.926 18.690 1.00 0.00 O ATOM 0 H GLU A 29 -29.004 3.895 14.995 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.867 5.601 15.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.081 4.145 17.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.612 3.609 17.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.152 5.710 18.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.915 6.570 17.432 1.00 0.00 H new ATOM 411 N ARG A 30 -26.379 2.507 15.159 1.00 0.00 N ATOM 412 CA ARG A 30 -25.373 1.473 14.987 1.00 0.00 C ATOM 413 C ARG A 30 -24.531 1.753 13.741 1.00 0.00 C ATOM 414 O ARG A 30 -23.364 1.372 13.677 1.00 0.00 O ATOM 415 CB ARG A 30 -26.018 0.092 14.858 1.00 0.00 C ATOM 416 CG ARG A 30 -26.057 -0.624 16.210 1.00 0.00 C ATOM 417 CD ARG A 30 -26.682 -2.014 16.077 1.00 0.00 C ATOM 418 NE ARG A 30 -28.158 -1.911 16.107 1.00 0.00 N ATOM 419 CZ ARG A 30 -28.993 -2.877 15.668 1.00 0.00 C ATOM 420 NH1 ARG A 30 -28.503 -4.028 15.161 1.00 0.00 N ATOM 421 NH2 ARG A 30 -30.296 -2.679 15.743 1.00 0.00 N ATOM 0 H ARG A 30 -27.267 2.319 14.694 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.735 1.482 15.871 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.030 0.195 14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.459 -0.509 14.140 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.046 -0.713 16.608 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.629 -0.031 16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.361 -2.478 15.145 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.338 -2.656 16.888 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.570 -1.057 16.483 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.495 -4.173 15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -29.141 -4.753 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -30.658 -1.807 16.128 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -30.941 -3.398 15.416 1.00 0.00 H new ATOM 434 N GLU A 31 -25.158 2.417 12.780 1.00 0.00 N ATOM 435 CA GLU A 31 -24.481 2.753 11.539 1.00 0.00 C ATOM 436 C GLU A 31 -23.258 3.629 11.821 1.00 0.00 C ATOM 437 O GLU A 31 -22.300 3.629 11.050 1.00 0.00 O ATOM 438 CB GLU A 31 -25.436 3.443 10.563 1.00 0.00 C ATOM 439 CG GLU A 31 -26.005 2.444 9.553 1.00 0.00 C ATOM 440 CD GLU A 31 -26.683 3.168 8.388 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.321 2.943 7.224 1.00 0.00 O ATOM 442 OE2 GLU A 31 -27.617 3.990 8.726 1.00 0.00 O ATOM 0 H GLU A 31 -26.127 2.731 12.836 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.141 1.829 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.251 3.911 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.910 4.239 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.205 1.808 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.724 1.791 10.048 1.00 0.00 H new ATOM 450 N ARG A 32 -23.332 4.354 12.928 1.00 0.00 N ATOM 451 CA ARG A 32 -22.243 5.232 13.321 1.00 0.00 C ATOM 452 C ARG A 32 -20.955 4.428 13.511 1.00 0.00 C ATOM 453 O ARG A 32 -19.860 4.944 13.296 1.00 0.00 O ATOM 454 CB ARG A 32 -22.572 5.969 14.620 1.00 0.00 C ATOM 455 CG ARG A 32 -21.477 6.978 14.970 1.00 0.00 C ATOM 456 CD ARG A 32 -21.420 7.224 16.480 1.00 0.00 C ATOM 457 NE ARG A 32 -21.168 8.658 16.750 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.032 9.649 16.444 1.00 0.00 C ATOM 459 NH1 ARG A 32 -23.214 9.370 15.854 1.00 0.00 N ATOM 460 NH2 ARG A 32 -21.704 10.895 16.730 1.00 0.00 N ATOM 0 H ARG A 32 -24.129 4.351 13.565 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.104 5.965 12.526 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.527 6.484 14.518 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.682 5.250 15.432 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -20.512 6.609 14.621 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.665 7.918 14.452 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.358 6.918 16.942 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.632 6.617 16.926 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.286 8.913 17.195 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.460 8.404 15.636 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -23.861 10.125 15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.809 11.097 17.176 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.345 11.656 16.505 1.00 0.00 H new ATOM 473 N LEU A 33 -21.130 3.177 13.911 1.00 0.00 N ATOM 474 CA LEU A 33 -19.995 2.297 14.133 1.00 0.00 C ATOM 475 C LEU A 33 -19.666 1.559 12.833 1.00 0.00 C ATOM 476 O LEU A 33 -18.601 0.958 12.709 1.00 0.00 O ATOM 477 CB LEU A 33 -20.262 1.366 15.317 1.00 0.00 C ATOM 478 CG LEU A 33 -19.203 1.365 16.422 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.821 1.726 17.774 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.461 0.029 16.469 1.00 0.00 C ATOM 0 H LEU A 33 -22.040 2.752 14.087 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.112 2.875 14.405 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.220 1.639 15.760 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.364 0.349 14.938 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.466 2.134 16.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.047 1.718 18.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.266 2.720 17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.591 0.998 18.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.714 0.055 17.263 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.171 -0.775 16.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.968 -0.147 15.513 1.00 0.00 H new ATOM 492 N ALA A 34 -20.602 1.629 11.897 1.00 0.00 N ATOM 493 CA ALA A 34 -20.425 0.976 10.612 1.00 0.00 C ATOM 494 C ALA A 34 -19.580 1.870 9.702 1.00 0.00 C ATOM 495 O ALA A 34 -19.376 1.554 8.531 1.00 0.00 O ATOM 496 CB ALA A 34 -21.794 0.657 10.008 1.00 0.00 C ATOM 0 H ALA A 34 -21.485 2.128 12.004 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.894 0.032 10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.661 0.167 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.342 -0.005 10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.355 1.581 9.871 1.00 0.00 H new ATOM 502 N HIS A 35 -19.112 2.969 10.275 1.00 0.00 N ATOM 503 CA HIS A 35 -18.294 3.911 9.530 1.00 0.00 C ATOM 504 C HIS A 35 -16.818 3.538 9.678 1.00 0.00 C ATOM 505 O HIS A 35 -15.967 4.058 8.957 1.00 0.00 O ATOM 506 CB HIS A 35 -18.588 5.348 9.965 1.00 0.00 C ATOM 507 CG HIS A 35 -19.514 6.094 9.035 1.00 0.00 C ATOM 508 ND1 HIS A 35 -20.755 6.564 9.430 1.00 0.00 N ATOM 509 CD2 HIS A 35 -19.368 6.447 7.725 1.00 0.00 C ATOM 510 CE1 HIS A 35 -21.321 7.170 8.396 1.00 0.00 C ATOM 511 NE2 HIS A 35 -20.460 7.096 7.341 1.00 0.00 N ATOM 0 H HIS A 35 -19.284 3.228 11.246 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.543 3.855 8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.027 5.332 10.963 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.647 5.894 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.509 6.234 7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -22.293 7.640 8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.628 7.477 6.410 1.00 0.00 H new ATOM 519 N SER A 36 -16.559 2.639 10.616 1.00 0.00 N ATOM 520 CA SER A 36 -15.200 2.189 10.867 1.00 0.00 C ATOM 521 C SER A 36 -14.882 0.973 9.996 1.00 0.00 C ATOM 522 O SER A 36 -13.715 0.656 9.768 1.00 0.00 O ATOM 523 CB SER A 36 -14.996 1.852 12.345 1.00 0.00 C ATOM 524 OG SER A 36 -15.322 2.949 13.194 1.00 0.00 O ATOM 0 H SER A 36 -17.267 2.210 11.212 1.00 0.00 H new ATOM 0 HA SER A 36 -14.518 3.000 10.610 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.613 0.993 12.609 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.959 1.562 12.511 1.00 0.00 H new ATOM 0 HG SER A 36 -15.180 2.692 14.129 1.00 0.00 H new ATOM 530 N ARG A 37 -15.940 0.323 9.533 1.00 0.00 N ATOM 531 CA ARG A 37 -15.788 -0.852 8.692 1.00 0.00 C ATOM 532 C ARG A 37 -15.734 -0.446 7.218 1.00 0.00 C ATOM 533 O ARG A 37 -15.828 -1.295 6.332 1.00 0.00 O ATOM 534 CB ARG A 37 -16.943 -1.833 8.902 1.00 0.00 C ATOM 535 CG ARG A 37 -16.434 -3.274 8.962 1.00 0.00 C ATOM 536 CD ARG A 37 -16.586 -3.851 10.371 1.00 0.00 C ATOM 537 NE ARG A 37 -16.928 -5.289 10.295 1.00 0.00 N ATOM 538 CZ ARG A 37 -18.188 -5.762 10.189 1.00 0.00 C ATOM 539 NH1 ARG A 37 -19.238 -4.914 10.146 1.00 0.00 N ATOM 540 NH2 ARG A 37 -18.379 -7.067 10.128 1.00 0.00 N ATOM 0 H ARG A 37 -16.906 0.588 9.725 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.855 -1.342 8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.468 -1.590 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.663 -1.731 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.987 -3.889 8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.386 -3.306 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.659 -3.718 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.364 -3.312 10.912 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.164 -5.965 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -19.083 -3.907 10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -20.187 -5.280 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.581 -7.701 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.325 -7.441 10.048 1.00 0.00 H new ATOM 553 N ALA A 38 -15.584 0.853 6.999 1.00 0.00 N ATOM 554 CA ALA A 38 -15.517 1.381 5.647 1.00 0.00 C ATOM 555 C ALA A 38 -14.061 1.383 5.177 1.00 0.00 C ATOM 556 O ALA A 38 -13.554 2.406 4.719 1.00 0.00 O ATOM 557 CB ALA A 38 -16.142 2.777 5.614 1.00 0.00 C ATOM 0 H ALA A 38 -15.507 1.555 7.735 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.084 0.753 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.092 3.174 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.184 2.717 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.596 3.436 6.289 1.00 0.00 H new ATOM 563 N ALA A 39 -13.430 0.225 5.305 1.00 0.00 N ATOM 564 CA ALA A 39 -12.043 0.080 4.899 1.00 0.00 C ATOM 565 C ALA A 39 -11.970 -0.019 3.374 1.00 0.00 C ATOM 566 O ALA A 39 -11.519 -1.028 2.834 1.00 0.00 O ATOM 567 CB ALA A 39 -11.432 -1.140 5.591 1.00 0.00 C ATOM 0 H ALA A 39 -13.854 -0.622 5.684 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.462 0.951 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.391 -1.248 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.481 -1.008 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.988 -2.034 5.309 1.00 0.00 H new ATOM 573 N ALA A 40 -12.422 1.043 2.722 1.00 0.00 N ATOM 574 CA ALA A 40 -12.414 1.089 1.270 1.00 0.00 C ATOM 575 C ALA A 40 -11.077 1.655 0.789 1.00 0.00 C ATOM 576 O ALA A 40 -10.319 0.971 0.103 1.00 0.00 O ATOM 577 CB ALA A 40 -13.607 1.912 0.778 1.00 0.00 C ATOM 0 H ALA A 40 -12.796 1.878 3.173 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.516 0.087 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.601 1.946 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.533 1.451 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.538 2.925 1.173 1.00 0.00 H new ATOM 583 N ALA A 41 -10.828 2.900 1.167 1.00 0.00 N ATOM 584 CA ALA A 41 -9.595 3.567 0.783 1.00 0.00 C ATOM 585 C ALA A 41 -9.762 5.078 0.954 1.00 0.00 C ATOM 586 O ALA A 41 -9.594 5.836 0.001 1.00 0.00 O ATOM 587 CB ALA A 41 -9.230 3.179 -0.651 1.00 0.00 C ATOM 0 H ALA A 41 -11.459 3.465 1.735 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.773 3.252 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.305 3.679 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.093 2.099 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.031 3.482 -1.325 1.00 0.00 H new ATOM 593 N ALA A 42 -10.092 5.470 2.176 1.00 0.00 N ATOM 594 CA ALA A 42 -10.285 6.877 2.484 1.00 0.00 C ATOM 595 C ALA A 42 -8.932 7.512 2.811 1.00 0.00 C ATOM 596 O ALA A 42 -8.501 8.446 2.136 1.00 0.00 O ATOM 597 CB ALA A 42 -11.287 7.016 3.631 1.00 0.00 C ATOM 0 H ALA A 42 -10.231 4.838 2.964 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.699 7.405 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.432 8.071 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.240 6.575 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.905 6.501 4.512 1.00 0.00 H new ATOM 603 N ALA A 43 -8.300 6.981 3.847 1.00 0.00 N ATOM 604 CA ALA A 43 -7.005 7.484 4.272 1.00 0.00 C ATOM 605 C ALA A 43 -6.089 7.617 3.054 1.00 0.00 C ATOM 606 O ALA A 43 -5.142 8.402 3.068 1.00 0.00 O ATOM 607 CB ALA A 43 -6.423 6.558 5.341 1.00 0.00 C ATOM 0 H ALA A 43 -8.661 6.207 4.405 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.106 8.473 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.451 6.936 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.097 6.522 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.305 5.556 4.929 1.00 0.00 H new ATOM 613 N VAL A 44 -6.404 6.838 2.030 1.00 0.00 N ATOM 614 CA VAL A 44 -5.621 6.859 0.806 1.00 0.00 C ATOM 615 C VAL A 44 -6.292 7.788 -0.208 1.00 0.00 C ATOM 616 O VAL A 44 -5.617 8.410 -1.027 1.00 0.00 O ATOM 617 CB VAL A 44 -5.435 5.434 0.279 1.00 0.00 C ATOM 618 CG1 VAL A 44 -5.650 5.377 -1.235 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.059 4.884 0.659 1.00 0.00 C ATOM 0 H VAL A 44 -7.190 6.188 2.022 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.623 7.253 0.998 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.189 4.802 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.512 4.354 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.661 5.708 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.930 6.029 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.953 3.870 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.283 5.519 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.960 4.871 1.744 1.00 0.00 H new ATOM 629 N ALA A 45 -7.612 7.853 -0.120 1.00 0.00 N ATOM 630 CA ALA A 45 -8.382 8.696 -1.019 1.00 0.00 C ATOM 631 C ALA A 45 -7.654 10.028 -1.210 1.00 0.00 C ATOM 632 O ALA A 45 -7.270 10.375 -2.326 1.00 0.00 O ATOM 633 CB ALA A 45 -9.795 8.879 -0.463 1.00 0.00 C ATOM 0 H ALA A 45 -8.168 7.335 0.560 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.476 8.227 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.372 9.511 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.279 7.907 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.742 9.350 0.519 1.00 0.00 H new ATOM 639 N ALA A 46 -7.486 10.738 -0.104 1.00 0.00 N ATOM 640 CA ALA A 46 -6.811 12.024 -0.136 1.00 0.00 C ATOM 641 C ALA A 46 -5.420 11.851 -0.750 1.00 0.00 C ATOM 642 O ALA A 46 -5.109 12.459 -1.773 1.00 0.00 O ATOM 643 CB ALA A 46 -6.755 12.607 1.278 1.00 0.00 C ATOM 0 H ALA A 46 -7.806 10.447 0.820 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.361 12.730 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.249 13.572 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.768 12.738 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.208 11.926 1.931 1.00 0.00 H new ATOM 649 N ALA A 47 -4.621 11.017 -0.100 1.00 0.00 N ATOM 650 CA ALA A 47 -3.271 10.756 -0.570 1.00 0.00 C ATOM 651 C ALA A 47 -3.334 10.110 -1.955 1.00 0.00 C ATOM 652 O ALA A 47 -4.414 9.949 -2.521 1.00 0.00 O ATOM 653 CB ALA A 47 -2.537 9.881 0.448 1.00 0.00 C ATOM 0 H ALA A 47 -4.883 10.514 0.748 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.711 11.686 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.524 9.685 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.494 10.397 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.069 8.937 0.567 1.00 0.00 H new ATOM 659 N THR A 48 -2.161 9.757 -2.462 1.00 0.00 N ATOM 660 CA THR A 48 -2.069 9.132 -3.771 1.00 0.00 C ATOM 661 C THR A 48 -0.623 9.148 -4.269 1.00 0.00 C ATOM 662 O THR A 48 0.060 10.167 -4.172 1.00 0.00 O ATOM 663 CB THR A 48 -3.043 9.851 -4.707 1.00 0.00 C ATOM 664 OG1 THR A 48 -2.461 9.695 -5.999 1.00 0.00 O ATOM 665 CG2 THR A 48 -3.058 11.365 -4.486 1.00 0.00 C ATOM 0 H THR A 48 -1.267 9.892 -1.990 1.00 0.00 H new ATOM 0 HA THR A 48 -2.353 8.080 -3.729 1.00 0.00 H new ATOM 0 HB THR A 48 -4.047 9.453 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.029 10.131 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.765 11.826 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.358 11.580 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.061 11.769 -4.665 1.00 0.00 H new ATOM 673 N ALA A 49 -0.198 8.008 -4.792 1.00 0.00 N ATOM 674 CA ALA A 49 1.155 7.878 -5.306 1.00 0.00 C ATOM 675 C ALA A 49 1.456 9.052 -6.239 1.00 0.00 C ATOM 676 O ALA A 49 0.588 9.884 -6.497 1.00 0.00 O ATOM 677 CB ALA A 49 1.309 6.524 -6.003 1.00 0.00 C ATOM 0 H ALA A 49 -0.767 7.165 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 49 1.880 7.910 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.324 6.427 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.113 5.723 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.600 6.457 -6.828 1.00 0.00 H new ATOM 683 N ALA A 50 2.691 9.082 -6.720 1.00 0.00 N ATOM 684 CA ALA A 50 3.117 10.141 -7.620 1.00 0.00 C ATOM 685 C ALA A 50 2.728 9.774 -9.053 1.00 0.00 C ATOM 686 O ALA A 50 3.556 9.835 -9.960 1.00 0.00 O ATOM 687 CB ALA A 50 4.622 10.367 -7.464 1.00 0.00 C ATOM 0 H ALA A 50 3.409 8.391 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 50 2.619 11.079 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.943 11.161 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.842 10.654 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.155 9.448 -7.707 1.00 0.00 H new ATOM 693 N VAL A 51 1.466 9.402 -9.212 1.00 0.00 N ATOM 694 CA VAL A 51 0.957 9.026 -10.520 1.00 0.00 C ATOM 695 C VAL A 51 1.948 8.075 -11.195 1.00 0.00 C ATOM 696 O VAL A 51 2.357 8.305 -12.332 1.00 0.00 O ATOM 697 CB VAL A 51 0.670 10.278 -11.350 1.00 0.00 C ATOM 698 CG1 VAL A 51 1.946 11.091 -11.575 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.010 9.915 -12.682 1.00 0.00 C ATOM 0 H VAL A 51 0.782 9.353 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 51 0.011 8.493 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.029 10.898 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.714 11.976 -12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.357 11.396 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.677 10.481 -12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.183 10.824 -13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.673 9.264 -13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.931 9.399 -12.493 1.00 0.00 H new ATOM 709 N GLU A 52 2.305 7.029 -10.466 1.00 0.00 N ATOM 710 CA GLU A 52 3.240 6.043 -10.979 1.00 0.00 C ATOM 711 C GLU A 52 2.566 5.176 -12.045 1.00 0.00 C ATOM 712 O GLU A 52 1.349 5.004 -12.030 1.00 0.00 O ATOM 713 CB GLU A 52 3.805 5.181 -9.848 1.00 0.00 C ATOM 714 CG GLU A 52 5.221 4.704 -10.177 1.00 0.00 C ATOM 715 CD GLU A 52 6.270 5.604 -9.520 1.00 0.00 C ATOM 716 OE1 GLU A 52 6.662 5.361 -8.369 1.00 0.00 O ATOM 717 OE2 GLU A 52 6.680 6.586 -10.249 1.00 0.00 O ATOM 0 H GLU A 52 1.963 6.842 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 52 4.075 6.570 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.817 5.754 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.157 4.320 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.351 3.678 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.365 4.700 -11.257 1.00 0.00 H new ATOM 725 N GLY A 53 3.388 4.653 -12.943 1.00 0.00 N ATOM 726 CA GLY A 53 2.886 3.808 -14.014 1.00 0.00 C ATOM 727 C GLY A 53 4.036 3.231 -14.841 1.00 0.00 C ATOM 728 O GLY A 53 4.227 2.016 -14.884 1.00 0.00 O ATOM 0 H GLY A 53 4.398 4.798 -12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.292 2.996 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.224 4.386 -14.659 1.00 0.00 H new ATOM 732 N THR A 54 4.773 4.129 -15.479 1.00 0.00 N ATOM 733 CA THR A 54 5.899 3.724 -16.303 1.00 0.00 C ATOM 734 C THR A 54 5.435 2.781 -17.415 1.00 0.00 C ATOM 735 O THR A 54 5.731 1.588 -17.386 1.00 0.00 O ATOM 736 CB THR A 54 6.958 3.107 -15.386 1.00 0.00 C ATOM 737 OG1 THR A 54 7.431 4.207 -14.613 1.00 0.00 O ATOM 738 CG2 THR A 54 8.193 2.634 -16.155 1.00 0.00 C ATOM 0 H THR A 54 4.612 5.136 -15.442 1.00 0.00 H new ATOM 0 HA THR A 54 6.345 4.579 -16.810 1.00 0.00 H new ATOM 0 HB THR A 54 6.524 2.267 -14.843 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.120 3.896 -13.990 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.913 2.205 -15.458 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.900 1.879 -16.885 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.647 3.480 -16.670 1.00 0.00 H new ATOM 746 N GLY A 55 4.714 3.353 -18.369 1.00 0.00 N ATOM 747 CA GLY A 55 4.206 2.578 -19.488 1.00 0.00 C ATOM 748 C GLY A 55 5.183 2.610 -20.666 1.00 0.00 C ATOM 749 O GLY A 55 5.343 3.642 -21.316 1.00 0.00 O ATOM 0 H GLY A 55 4.470 4.343 -18.390 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.041 1.547 -19.176 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.240 2.975 -19.801 1.00 0.00 H new ATOM 753 N GLY A 56 5.810 1.468 -20.903 1.00 0.00 N ATOM 754 CA GLY A 56 6.767 1.352 -21.991 1.00 0.00 C ATOM 755 C GLY A 56 8.176 1.087 -21.456 1.00 0.00 C ATOM 756 O GLY A 56 8.612 -0.060 -21.386 1.00 0.00 O ATOM 0 H GLY A 56 5.675 0.615 -20.361 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.469 0.543 -22.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.765 2.268 -22.581 1.00 0.00 H new ATOM 760 N SER A 57 8.849 2.169 -21.092 1.00 0.00 N ATOM 761 CA SER A 57 10.200 2.069 -20.566 1.00 0.00 C ATOM 762 C SER A 57 11.143 1.533 -21.644 1.00 0.00 C ATOM 763 O SER A 57 10.788 0.618 -22.386 1.00 0.00 O ATOM 764 CB SER A 57 10.243 1.170 -19.328 1.00 0.00 C ATOM 765 OG SER A 57 10.676 1.877 -18.170 1.00 0.00 O ATOM 0 H SER A 57 8.484 3.120 -21.151 1.00 0.00 H new ATOM 0 HA SER A 57 10.527 3.066 -20.270 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.252 0.753 -19.149 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.914 0.331 -19.512 1.00 0.00 H new ATOM 0 HG SER A 57 10.688 1.269 -17.401 1.00 0.00 H new ATOM 771 N GLY A 58 12.327 2.126 -21.698 1.00 0.00 N ATOM 772 CA GLY A 58 13.324 1.720 -22.673 1.00 0.00 C ATOM 773 C GLY A 58 14.196 2.905 -23.092 1.00 0.00 C ATOM 774 O GLY A 58 14.746 3.606 -22.244 1.00 0.00 O ATOM 0 H GLY A 58 12.618 2.885 -21.082 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.951 0.934 -22.252 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.831 1.299 -23.549 1.00 0.00 H new ATOM 778 N GLY A 59 14.296 3.092 -24.400 1.00 0.00 N ATOM 779 CA GLY A 59 15.092 4.181 -24.941 1.00 0.00 C ATOM 780 C GLY A 59 16.458 3.679 -25.413 1.00 0.00 C ATOM 781 O GLY A 59 16.562 3.045 -26.462 1.00 0.00 O ATOM 0 H GLY A 59 13.839 2.508 -25.101 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.563 4.644 -25.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.226 4.951 -24.181 1.00 0.00 H new ATOM 785 N GLY A 60 17.472 3.981 -24.615 1.00 0.00 N ATOM 786 CA GLY A 60 18.827 3.569 -24.938 1.00 0.00 C ATOM 787 C GLY A 60 19.199 3.977 -26.364 1.00 0.00 C ATOM 788 O GLY A 60 18.990 3.215 -27.307 1.00 0.00 O ATOM 0 H GLY A 60 17.382 4.506 -23.745 1.00 0.00 H new ATOM 0 HA2 GLY A 60 19.526 4.020 -24.233 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.918 2.488 -24.830 1.00 0.00 H new ATOM 792 N PRO A 61 19.759 5.211 -26.482 1.00 0.00 N ATOM 793 CA PRO A 61 20.163 5.730 -27.778 1.00 0.00 C ATOM 794 C PRO A 61 21.452 5.061 -28.259 1.00 0.00 C ATOM 795 O PRO A 61 22.522 5.666 -28.216 1.00 0.00 O ATOM 796 CB PRO A 61 20.312 7.229 -27.572 1.00 0.00 C ATOM 797 CG PRO A 61 20.440 7.433 -26.072 1.00 0.00 C ATOM 798 CD PRO A 61 20.022 6.142 -25.388 1.00 0.00 C ATOM 0 HA PRO A 61 19.435 5.520 -28.561 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.190 7.610 -28.094 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.449 7.765 -27.967 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.466 7.690 -25.808 1.00 0.00 H new ATOM 0 HG3 PRO A 61 19.810 8.260 -25.744 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.808 5.769 -24.731 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.135 6.290 -24.772 1.00 0.00 H new ATOM 806 N HIS A 62 21.307 3.822 -28.705 1.00 0.00 N ATOM 807 CA HIS A 62 22.447 3.065 -29.194 1.00 0.00 C ATOM 808 C HIS A 62 22.713 3.425 -30.656 1.00 0.00 C ATOM 809 O HIS A 62 22.147 2.816 -31.563 1.00 0.00 O ATOM 810 CB HIS A 62 22.233 1.565 -28.982 1.00 0.00 C ATOM 811 CG HIS A 62 23.495 0.807 -28.643 1.00 0.00 C ATOM 812 ND1 HIS A 62 24.016 -0.183 -29.459 1.00 0.00 N ATOM 813 CD2 HIS A 62 24.332 0.904 -27.571 1.00 0.00 C ATOM 814 CE1 HIS A 62 25.118 -0.653 -28.892 1.00 0.00 C ATOM 815 NE2 HIS A 62 25.312 0.021 -27.723 1.00 0.00 N ATOM 0 H HIS A 62 20.418 3.323 -28.738 1.00 0.00 H new ATOM 0 HA HIS A 62 23.337 3.331 -28.623 1.00 0.00 H new ATOM 0 HB2 HIS A 62 21.509 1.421 -28.180 1.00 0.00 H new ATOM 0 HB3 HIS A 62 21.797 1.139 -29.886 1.00 0.00 H new ATOM 0 HD2 HIS A 62 24.217 1.584 -26.739 1.00 0.00 H new ATOM 0 HE1 HIS A 62 25.751 -1.433 -29.287 1.00 0.00 H new ATOM 0 HE2 HIS A 62 26.083 -0.128 -27.072 1.00 0.00 H new ATOM 823 N HIS A 63 23.576 4.414 -30.841 1.00 0.00 N ATOM 824 CA HIS A 63 23.925 4.863 -32.178 1.00 0.00 C ATOM 825 C HIS A 63 24.061 3.654 -33.106 1.00 0.00 C ATOM 826 O HIS A 63 23.275 3.491 -34.039 1.00 0.00 O ATOM 827 CB HIS A 63 25.183 5.732 -32.149 1.00 0.00 C ATOM 828 CG HIS A 63 24.994 7.107 -32.744 1.00 0.00 C ATOM 829 ND1 HIS A 63 25.903 8.134 -32.561 1.00 0.00 N ATOM 830 CD2 HIS A 63 23.994 7.612 -33.521 1.00 0.00 C ATOM 831 CE1 HIS A 63 25.459 9.205 -33.203 1.00 0.00 C ATOM 832 NE2 HIS A 63 24.275 8.879 -33.797 1.00 0.00 N ATOM 0 H HIS A 63 24.044 4.917 -30.087 1.00 0.00 H new ATOM 0 HA HIS A 63 23.128 5.493 -32.573 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.516 5.837 -31.116 1.00 0.00 H new ATOM 0 HB3 HIS A 63 25.979 5.220 -32.690 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.121 7.072 -33.855 1.00 0.00 H new ATOM 0 HE1 HIS A 63 25.948 10.167 -33.248 1.00 0.00 H new ATOM 0 HE2 HIS A 63 23.701 9.506 -34.360 1.00 0.00 H new ATOM 840 N HIS A 64 25.063 2.837 -32.818 1.00 0.00 N ATOM 841 CA HIS A 64 25.312 1.648 -33.615 1.00 0.00 C ATOM 842 C HIS A 64 25.713 2.055 -35.034 1.00 0.00 C ATOM 843 O HIS A 64 25.227 3.058 -35.556 1.00 0.00 O ATOM 844 CB HIS A 64 24.102 0.712 -33.587 1.00 0.00 C ATOM 845 CG HIS A 64 24.184 -0.428 -34.574 1.00 0.00 C ATOM 846 ND1 HIS A 64 23.895 -0.277 -35.919 1.00 0.00 N ATOM 847 CD2 HIS A 64 24.526 -1.737 -34.398 1.00 0.00 C ATOM 848 CE1 HIS A 64 24.058 -1.448 -36.516 1.00 0.00 C ATOM 849 NE2 HIS A 64 24.449 -2.352 -35.572 1.00 0.00 N ATOM 0 H HIS A 64 25.712 2.975 -32.044 1.00 0.00 H new ATOM 0 HA HIS A 64 26.143 1.087 -33.187 1.00 0.00 H new ATOM 0 HB2 HIS A 64 23.996 0.302 -32.583 1.00 0.00 H new ATOM 0 HB3 HIS A 64 23.202 1.292 -33.792 1.00 0.00 H new ATOM 0 HD2 HIS A 64 24.811 -2.195 -33.462 1.00 0.00 H new ATOM 0 HE1 HIS A 64 23.908 -1.652 -37.566 1.00 0.00 H new ATOM 0 HE2 HIS A 64 24.649 -3.338 -35.740 1.00 0.00 H new ATOM 857 N HIS A 65 26.596 1.258 -35.617 1.00 0.00 N ATOM 858 CA HIS A 65 27.067 1.523 -36.966 1.00 0.00 C ATOM 859 C HIS A 65 28.372 0.763 -37.212 1.00 0.00 C ATOM 860 O HIS A 65 29.130 0.505 -36.278 1.00 0.00 O ATOM 861 CB HIS A 65 27.203 3.028 -37.207 1.00 0.00 C ATOM 862 CG HIS A 65 27.720 3.797 -36.015 1.00 0.00 C ATOM 863 ND1 HIS A 65 28.942 3.530 -35.422 1.00 0.00 N ATOM 864 CD2 HIS A 65 27.168 4.828 -35.313 1.00 0.00 C ATOM 865 CE1 HIS A 65 29.107 4.367 -34.409 1.00 0.00 C ATOM 866 NE2 HIS A 65 28.007 5.171 -34.343 1.00 0.00 N ATOM 0 H HIS A 65 26.998 0.428 -35.180 1.00 0.00 H new ATOM 0 HA HIS A 65 26.335 1.162 -37.689 1.00 0.00 H new ATOM 0 HB2 HIS A 65 27.874 3.191 -38.050 1.00 0.00 H new ATOM 0 HB3 HIS A 65 26.230 3.429 -37.491 1.00 0.00 H new ATOM 0 HD2 HIS A 65 26.211 5.287 -35.512 1.00 0.00 H new ATOM 0 HE1 HIS A 65 29.962 4.406 -33.751 1.00 0.00 H new ATOM 0 HE2 HIS A 65 27.854 5.914 -33.661 1.00 0.00 H new ATOM 874 N GLN A 66 28.594 0.425 -38.474 1.00 0.00 N ATOM 875 CA GLN A 66 29.794 -0.301 -38.854 1.00 0.00 C ATOM 876 C GLN A 66 30.436 0.343 -40.085 1.00 0.00 C ATOM 877 O GLN A 66 29.945 1.353 -40.589 1.00 0.00 O ATOM 878 CB GLN A 66 29.484 -1.778 -39.107 1.00 0.00 C ATOM 879 CG GLN A 66 30.608 -2.671 -38.578 1.00 0.00 C ATOM 880 CD GLN A 66 30.134 -3.496 -37.379 1.00 0.00 C ATOM 881 OE1 GLN A 66 28.950 -3.643 -37.123 1.00 0.00 O ATOM 882 NE2 GLN A 66 31.121 -4.024 -36.662 1.00 0.00 N ATOM 0 H GLN A 66 27.963 0.640 -39.246 1.00 0.00 H new ATOM 0 HA GLN A 66 30.504 -0.249 -38.028 1.00 0.00 H new ATOM 0 HB2 GLN A 66 28.544 -2.044 -38.623 1.00 0.00 H new ATOM 0 HB3 GLN A 66 29.352 -1.948 -40.176 1.00 0.00 H new ATOM 0 HG2 GLN A 66 30.951 -3.337 -39.370 1.00 0.00 H new ATOM 0 HG3 GLN A 66 31.460 -2.056 -38.287 1.00 0.00 H new ATOM 0 HE21 GLN A 66 32.091 -3.861 -36.932 1.00 0.00 H new ATOM 0 HE22 GLN A 66 30.908 -4.592 -35.842 1.00 0.00 H new ATOM 891 N THR A 67 31.523 -0.267 -40.533 1.00 0.00 N ATOM 892 CA THR A 67 32.237 0.235 -41.695 1.00 0.00 C ATOM 893 C THR A 67 33.106 -0.868 -42.303 1.00 0.00 C ATOM 894 O THR A 67 33.251 -1.941 -41.721 1.00 0.00 O ATOM 895 CB THR A 67 33.034 1.468 -41.264 1.00 0.00 C ATOM 896 OG1 THR A 67 32.036 2.448 -40.991 1.00 0.00 O ATOM 897 CG2 THR A 67 33.845 2.072 -42.413 1.00 0.00 C ATOM 0 H THR A 67 31.927 -1.104 -40.113 1.00 0.00 H new ATOM 0 HA THR A 67 31.548 0.535 -42.484 1.00 0.00 H new ATOM 0 HB THR A 67 33.705 1.200 -40.448 1.00 0.00 H new ATOM 0 HG1 THR A 67 31.194 2.184 -41.417 1.00 0.00 H new ATOM 0 HG21 THR A 67 34.392 2.944 -42.054 1.00 0.00 H new ATOM 0 HG22 THR A 67 34.550 1.331 -42.789 1.00 0.00 H new ATOM 0 HG23 THR A 67 33.171 2.372 -43.216 1.00 0.00 H new ATOM 905 N ARG A 68 33.660 -0.565 -43.468 1.00 0.00 N ATOM 906 CA ARG A 68 34.511 -1.517 -44.162 1.00 0.00 C ATOM 907 C ARG A 68 35.023 -0.914 -45.472 1.00 0.00 C ATOM 908 O ARG A 68 34.238 -0.621 -46.373 1.00 0.00 O ATOM 909 CB ARG A 68 33.755 -2.812 -44.465 1.00 0.00 C ATOM 910 CG ARG A 68 34.681 -4.025 -44.361 1.00 0.00 C ATOM 911 CD ARG A 68 34.288 -4.916 -43.181 1.00 0.00 C ATOM 912 NE ARG A 68 35.486 -5.255 -42.382 1.00 0.00 N ATOM 913 CZ ARG A 68 35.579 -6.337 -41.580 1.00 0.00 C ATOM 914 NH1 ARG A 68 34.544 -7.195 -41.464 1.00 0.00 N ATOM 915 NH2 ARG A 68 36.698 -6.543 -40.911 1.00 0.00 N ATOM 0 H ARG A 68 33.536 0.326 -43.949 1.00 0.00 H new ATOM 0 HA ARG A 68 35.354 -1.746 -43.510 1.00 0.00 H new ATOM 0 HB2 ARG A 68 32.924 -2.924 -43.768 1.00 0.00 H new ATOM 0 HB3 ARG A 68 33.327 -2.762 -45.466 1.00 0.00 H new ATOM 0 HG2 ARG A 68 34.638 -4.600 -45.286 1.00 0.00 H new ATOM 0 HG3 ARG A 68 35.712 -3.691 -44.241 1.00 0.00 H new ATOM 0 HD2 ARG A 68 33.557 -4.404 -42.556 1.00 0.00 H new ATOM 0 HD3 ARG A 68 33.814 -5.827 -43.545 1.00 0.00 H new ATOM 0 HE ARG A 68 36.292 -4.633 -42.441 1.00 0.00 H new ATOM 0 HH11 ARG A 68 33.683 -7.029 -41.985 1.00 0.00 H new ATOM 0 HH12 ARG A 68 34.623 -8.010 -40.856 1.00 0.00 H new ATOM 0 HH21 ARG A 68 37.476 -5.890 -41.004 1.00 0.00 H new ATOM 0 HH22 ARG A 68 36.785 -7.356 -40.301 1.00 0.00 H new ATOM 928 N GLY A 69 36.336 -0.748 -45.537 1.00 0.00 N ATOM 929 CA GLY A 69 36.962 -0.186 -46.722 1.00 0.00 C ATOM 930 C GLY A 69 37.765 -1.249 -47.474 1.00 0.00 C ATOM 931 O GLY A 69 37.334 -1.734 -48.519 1.00 0.00 O ATOM 0 H GLY A 69 36.984 -0.993 -44.788 1.00 0.00 H new ATOM 0 HA2 GLY A 69 36.198 0.230 -47.379 1.00 0.00 H new ATOM 0 HA3 GLY A 69 37.618 0.636 -46.436 1.00 0.00 H new ATOM 935 N ALA A 70 38.918 -1.581 -46.913 1.00 0.00 N ATOM 936 CA ALA A 70 39.786 -2.577 -47.517 1.00 0.00 C ATOM 937 C ALA A 70 40.796 -3.066 -46.477 1.00 0.00 C ATOM 938 O ALA A 70 41.790 -2.394 -46.209 1.00 0.00 O ATOM 939 CB ALA A 70 40.463 -1.982 -48.753 1.00 0.00 C ATOM 0 H ALA A 70 39.272 -1.177 -46.046 1.00 0.00 H new ATOM 0 HA ALA A 70 39.208 -3.441 -47.846 1.00 0.00 H new ATOM 0 HB1 ALA A 70 41.114 -2.729 -49.206 1.00 0.00 H new ATOM 0 HB2 ALA A 70 39.703 -1.678 -49.473 1.00 0.00 H new ATOM 0 HB3 ALA A 70 41.054 -1.114 -48.462 1.00 0.00 H new ATOM 945 N TYR A 71 40.506 -4.233 -45.921 1.00 0.00 N ATOM 946 CA TYR A 71 41.376 -4.820 -44.916 1.00 0.00 C ATOM 947 C TYR A 71 42.592 -5.486 -45.565 1.00 0.00 C ATOM 948 O TYR A 71 42.444 -6.338 -46.439 1.00 0.00 O ATOM 949 CB TYR A 71 40.542 -5.889 -44.208 1.00 0.00 C ATOM 950 CG TYR A 71 41.029 -6.226 -42.797 1.00 0.00 C ATOM 951 CD1 TYR A 71 42.237 -6.871 -42.620 1.00 0.00 C ATOM 952 CD2 TYR A 71 40.262 -5.884 -41.702 1.00 0.00 C ATOM 953 CE1 TYR A 71 42.696 -7.188 -41.292 1.00 0.00 C ATOM 954 CE2 TYR A 71 40.721 -6.201 -40.374 1.00 0.00 C ATOM 955 CZ TYR A 71 41.915 -6.837 -40.235 1.00 0.00 C ATOM 956 OH TYR A 71 42.349 -7.136 -38.981 1.00 0.00 O ATOM 0 H TYR A 71 39.681 -4.788 -46.147 1.00 0.00 H new ATOM 0 HA TYR A 71 41.743 -4.055 -44.232 1.00 0.00 H new ATOM 0 HB2 TYR A 71 39.507 -5.550 -44.153 1.00 0.00 H new ATOM 0 HB3 TYR A 71 40.548 -6.798 -44.810 1.00 0.00 H new ATOM 0 HD1 TYR A 71 42.838 -7.138 -43.477 1.00 0.00 H new ATOM 0 HD2 TYR A 71 39.318 -5.379 -41.841 1.00 0.00 H new ATOM 0 HE1 TYR A 71 43.638 -7.693 -41.139 1.00 0.00 H new ATOM 0 HE2 TYR A 71 40.130 -5.940 -39.508 1.00 0.00 H new ATOM 0 HH TYR A 71 41.691 -6.826 -38.324 1.00 0.00 H new ATOM 966 N SER A 72 43.766 -5.071 -45.112 1.00 0.00 N ATOM 967 CA SER A 72 45.006 -5.616 -45.638 1.00 0.00 C ATOM 968 C SER A 72 45.242 -5.102 -47.059 1.00 0.00 C ATOM 969 O SER A 72 44.346 -4.524 -47.671 1.00 0.00 O ATOM 970 CB SER A 72 44.985 -7.146 -45.623 1.00 0.00 C ATOM 971 OG SER A 72 45.923 -7.684 -44.696 1.00 0.00 O ATOM 0 H SER A 72 43.885 -4.364 -44.387 1.00 0.00 H new ATOM 0 HA SER A 72 45.824 -5.285 -44.998 1.00 0.00 H new ATOM 0 HB2 SER A 72 43.984 -7.492 -45.367 1.00 0.00 H new ATOM 0 HB3 SER A 72 45.207 -7.521 -46.622 1.00 0.00 H new ATOM 0 HG SER A 72 45.877 -8.663 -44.715 1.00 0.00 H new ATOM 977 N SER A 73 46.454 -5.332 -47.543 1.00 0.00 N ATOM 978 CA SER A 73 46.820 -4.899 -48.882 1.00 0.00 C ATOM 979 C SER A 73 46.599 -3.392 -49.023 1.00 0.00 C ATOM 980 O SER A 73 45.967 -2.771 -48.170 1.00 0.00 O ATOM 981 CB SER A 73 46.018 -5.655 -49.943 1.00 0.00 C ATOM 982 OG SER A 73 46.860 -6.392 -50.824 1.00 0.00 O ATOM 0 H SER A 73 47.195 -5.812 -47.032 1.00 0.00 H new ATOM 0 HA SER A 73 47.876 -5.121 -49.037 1.00 0.00 H new ATOM 0 HB2 SER A 73 45.321 -6.336 -49.454 1.00 0.00 H new ATOM 0 HB3 SER A 73 45.422 -4.947 -50.519 1.00 0.00 H new ATOM 0 HG SER A 73 46.310 -6.862 -51.485 1.00 0.00 H new ATOM 988 N HIS A 74 47.134 -2.847 -50.105 1.00 0.00 N ATOM 989 CA HIS A 74 47.004 -1.424 -50.369 1.00 0.00 C ATOM 990 C HIS A 74 45.874 -1.190 -51.373 1.00 0.00 C ATOM 991 O HIS A 74 45.681 -1.984 -52.293 1.00 0.00 O ATOM 992 CB HIS A 74 48.338 -0.833 -50.829 1.00 0.00 C ATOM 993 CG HIS A 74 49.183 -0.277 -49.708 1.00 0.00 C ATOM 994 ND1 HIS A 74 49.983 0.843 -49.855 1.00 0.00 N ATOM 995 CD2 HIS A 74 49.343 -0.697 -48.420 1.00 0.00 C ATOM 996 CE1 HIS A 74 50.593 1.076 -48.703 1.00 0.00 C ATOM 997 NE2 HIS A 74 50.195 0.120 -47.814 1.00 0.00 N ATOM 0 H HIS A 74 47.659 -3.365 -50.810 1.00 0.00 H new ATOM 0 HA HIS A 74 46.740 -0.902 -49.449 1.00 0.00 H new ATOM 0 HB2 HIS A 74 48.905 -1.605 -51.349 1.00 0.00 H new ATOM 0 HB3 HIS A 74 48.143 -0.040 -51.551 1.00 0.00 H new ATOM 0 HD2 HIS A 74 48.858 -1.550 -47.970 1.00 0.00 H new ATOM 0 HE1 HIS A 74 51.284 1.881 -48.502 1.00 0.00 H new ATOM 0 HE2 HIS A 74 50.502 0.046 -46.844 1.00 0.00 H new ATOM 1005 N ASP A 75 45.157 -0.095 -51.164 1.00 0.00 N ATOM 1006 CA ASP A 75 44.051 0.254 -52.039 1.00 0.00 C ATOM 1007 C ASP A 75 43.009 -0.866 -52.010 1.00 0.00 C ATOM 1008 O ASP A 75 42.085 -0.881 -52.821 1.00 0.00 O ATOM 1009 CB ASP A 75 44.524 0.421 -53.485 1.00 0.00 C ATOM 1010 CG ASP A 75 45.529 1.553 -53.709 1.00 0.00 C ATOM 1011 OD1 ASP A 75 45.349 2.675 -53.212 1.00 0.00 O ATOM 1012 OD2 ASP A 75 46.546 1.243 -54.440 1.00 0.00 O ATOM 0 H ASP A 75 45.321 0.562 -50.401 1.00 0.00 H new ATOM 0 HA ASP A 75 43.627 1.194 -51.687 1.00 0.00 H new ATOM 0 HB2 ASP A 75 44.974 -0.515 -53.815 1.00 0.00 H new ATOM 0 HB3 ASP A 75 43.654 0.597 -54.118 1.00 0.00 H new TER 1018 ASP A 75