USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 20:sc= 0.862 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.412 USER MOD Single : A 14 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.27) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.257 K(o=0.26,f=-2) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.66) USER MOD Single : A 35 HIS : no HE2:sc= 0.0905 K(o=0.09,f=-0.43) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -63:sc= 1.03 USER MOD Single : A 54 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.017) USER MOD Single : A 63 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.45) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=-0.18) USER MOD Single : A 66 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 111:sc= 1.62 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.428 -30.523 12.813 1.00 0.00 N ATOM 2 CA MET A 1 -33.763 -30.046 11.482 1.00 0.00 C ATOM 3 C MET A 1 -34.631 -28.788 11.553 1.00 0.00 C ATOM 4 O MET A 1 -35.841 -28.875 11.755 1.00 0.00 O ATOM 5 CB MET A 1 -34.513 -31.141 10.721 1.00 0.00 C ATOM 6 CG MET A 1 -33.698 -31.630 9.521 1.00 0.00 C ATOM 7 SD MET A 1 -32.841 -33.139 9.940 1.00 0.00 S ATOM 8 CE MET A 1 -32.199 -33.585 8.335 1.00 0.00 C ATOM 0 H1 MET A 1 -32.839 -31.377 12.738 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.904 -29.785 13.325 1.00 0.00 H new ATOM 0 H3 MET A 1 -34.301 -30.749 13.331 1.00 0.00 H new ATOM 0 HA MET A 1 -32.838 -29.798 10.962 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.721 -31.977 11.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.475 -30.759 10.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 -34.356 -31.800 8.669 1.00 0.00 H new ATOM 0 HG3 MET A 1 -32.981 -30.866 9.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.632 -34.513 8.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.026 -33.724 7.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.547 -32.791 7.971 1.00 0.00 H new ATOM 18 N GLU A 2 -33.979 -27.647 11.384 1.00 0.00 N ATOM 19 CA GLU A 2 -34.676 -26.373 11.427 1.00 0.00 C ATOM 20 C GLU A 2 -35.997 -26.465 10.660 1.00 0.00 C ATOM 21 O GLU A 2 -36.124 -27.258 9.729 1.00 0.00 O ATOM 22 CB GLU A 2 -33.798 -25.249 10.872 1.00 0.00 C ATOM 23 CG GLU A 2 -34.340 -23.878 11.281 1.00 0.00 C ATOM 24 CD GLU A 2 -33.233 -23.006 11.878 1.00 0.00 C ATOM 25 OE1 GLU A 2 -32.607 -23.396 12.875 1.00 0.00 O ATOM 26 OE2 GLU A 2 -33.030 -21.888 11.268 1.00 0.00 O ATOM 0 H GLU A 2 -32.975 -27.578 11.217 1.00 0.00 H new ATOM 0 HA GLU A 2 -34.898 -26.137 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -32.778 -25.365 11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -33.756 -25.318 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -34.772 -23.380 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -35.142 -24.002 12.009 1.00 0.00 H new ATOM 34 N VAL A 3 -36.947 -25.643 11.082 1.00 0.00 N ATOM 35 CA VAL A 3 -38.254 -25.621 10.447 1.00 0.00 C ATOM 36 C VAL A 3 -38.197 -24.734 9.202 1.00 0.00 C ATOM 37 O VAL A 3 -37.141 -24.201 8.862 1.00 0.00 O ATOM 38 CB VAL A 3 -39.316 -25.173 11.452 1.00 0.00 C ATOM 39 CG1 VAL A 3 -39.296 -23.654 11.632 1.00 0.00 C ATOM 40 CG2 VAL A 3 -40.706 -25.657 11.033 1.00 0.00 C ATOM 0 H VAL A 3 -36.838 -24.987 11.856 1.00 0.00 H new ATOM 0 HA VAL A 3 -38.537 -26.622 10.120 1.00 0.00 H new ATOM 0 HB VAL A 3 -39.079 -25.627 12.414 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -40.061 -23.363 12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -38.317 -23.344 11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -39.496 -23.172 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -41.443 -25.325 11.765 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -40.955 -25.246 10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -40.712 -26.746 10.981 1.00 0.00 H new ATOM 50 N ALA A 4 -39.346 -24.601 8.555 1.00 0.00 N ATOM 51 CA ALA A 4 -39.440 -23.788 7.356 1.00 0.00 C ATOM 52 C ALA A 4 -39.668 -22.327 7.752 1.00 0.00 C ATOM 53 O ALA A 4 -40.333 -22.047 8.747 1.00 0.00 O ATOM 54 CB ALA A 4 -40.554 -24.329 6.457 1.00 0.00 C ATOM 0 H ALA A 4 -40.220 -25.043 8.840 1.00 0.00 H new ATOM 0 HA ALA A 4 -38.511 -23.835 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -40.624 -23.718 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -40.330 -25.359 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -41.503 -24.296 6.993 1.00 0.00 H new ATOM 60 N MET A 5 -39.103 -21.435 6.951 1.00 0.00 N ATOM 61 CA MET A 5 -39.237 -20.011 7.205 1.00 0.00 C ATOM 62 C MET A 5 -40.118 -19.345 6.147 1.00 0.00 C ATOM 63 O MET A 5 -39.619 -18.870 5.128 1.00 0.00 O ATOM 64 CB MET A 5 -37.852 -19.359 7.201 1.00 0.00 C ATOM 65 CG MET A 5 -37.766 -18.249 8.250 1.00 0.00 C ATOM 66 SD MET A 5 -36.062 -17.785 8.508 1.00 0.00 S ATOM 67 CE MET A 5 -35.994 -16.297 7.524 1.00 0.00 C ATOM 0 H MET A 5 -38.552 -21.671 6.126 1.00 0.00 H new ATOM 0 HA MET A 5 -39.709 -19.878 8.179 1.00 0.00 H new ATOM 0 HB2 MET A 5 -37.091 -20.113 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 5 -37.642 -18.948 6.213 1.00 0.00 H new ATOM 0 HG2 MET A 5 -38.342 -17.383 7.923 1.00 0.00 H new ATOM 0 HG3 MET A 5 -38.205 -18.589 9.188 1.00 0.00 H new ATOM 0 HE1 MET A 5 -34.991 -15.873 7.574 1.00 0.00 H new ATOM 0 HE2 MET A 5 -36.236 -16.534 6.488 1.00 0.00 H new ATOM 0 HE3 MET A 5 -36.713 -15.574 7.908 1.00 0.00 H new ATOM 77 N VAL A 6 -41.414 -19.333 6.424 1.00 0.00 N ATOM 78 CA VAL A 6 -42.370 -18.733 5.509 1.00 0.00 C ATOM 79 C VAL A 6 -43.254 -17.747 6.275 1.00 0.00 C ATOM 80 O VAL A 6 -43.319 -17.790 7.502 1.00 0.00 O ATOM 81 CB VAL A 6 -43.169 -19.826 4.797 1.00 0.00 C ATOM 82 CG1 VAL A 6 -43.892 -19.267 3.570 1.00 0.00 C ATOM 83 CG2 VAL A 6 -42.270 -21.003 4.415 1.00 0.00 C ATOM 0 H VAL A 6 -41.824 -19.729 7.270 1.00 0.00 H new ATOM 0 HA VAL A 6 -41.854 -18.169 4.732 1.00 0.00 H new ATOM 0 HB VAL A 6 -43.924 -20.194 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -44.452 -20.065 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -44.578 -18.479 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -43.161 -18.858 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -42.864 -21.765 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -41.481 -20.657 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -41.824 -21.427 5.315 1.00 0.00 H new ATOM 93 N SER A 7 -43.914 -16.883 5.519 1.00 0.00 N ATOM 94 CA SER A 7 -44.792 -15.888 6.111 1.00 0.00 C ATOM 95 C SER A 7 -46.250 -16.213 5.779 1.00 0.00 C ATOM 96 O SER A 7 -46.639 -16.214 4.612 1.00 0.00 O ATOM 97 CB SER A 7 -44.438 -14.481 5.625 1.00 0.00 C ATOM 98 OG SER A 7 -44.811 -14.276 4.266 1.00 0.00 O ATOM 0 H SER A 7 -43.859 -16.851 4.501 1.00 0.00 H new ATOM 0 HA SER A 7 -44.657 -15.914 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 7 -44.938 -13.744 6.253 1.00 0.00 H new ATOM 0 HB3 SER A 7 -43.366 -14.319 5.735 1.00 0.00 H new ATOM 0 HG SER A 7 -45.492 -14.933 4.011 1.00 0.00 H new ATOM 104 N ALA A 8 -47.017 -16.480 6.826 1.00 0.00 N ATOM 105 CA ALA A 8 -48.423 -16.805 6.660 1.00 0.00 C ATOM 106 C ALA A 8 -49.232 -15.511 6.548 1.00 0.00 C ATOM 107 O ALA A 8 -49.743 -15.007 7.546 1.00 0.00 O ATOM 108 CB ALA A 8 -48.885 -17.683 7.825 1.00 0.00 C ATOM 0 H ALA A 8 -46.691 -16.478 7.792 1.00 0.00 H new ATOM 0 HA ALA A 8 -48.580 -17.372 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -49.940 -17.927 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -48.300 -18.602 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -48.745 -17.146 8.763 1.00 0.00 H new ATOM 114 N GLU A 9 -49.322 -15.012 5.324 1.00 0.00 N ATOM 115 CA GLU A 9 -50.060 -13.786 5.069 1.00 0.00 C ATOM 116 C GLU A 9 -51.563 -14.033 5.210 1.00 0.00 C ATOM 117 O GLU A 9 -52.029 -15.159 5.048 1.00 0.00 O ATOM 118 CB GLU A 9 -49.724 -13.222 3.687 1.00 0.00 C ATOM 119 CG GLU A 9 -50.084 -11.737 3.598 1.00 0.00 C ATOM 120 CD GLU A 9 -49.179 -11.012 2.599 1.00 0.00 C ATOM 121 OE1 GLU A 9 -49.124 -11.396 1.421 1.00 0.00 O ATOM 122 OE2 GLU A 9 -48.519 -10.016 3.085 1.00 0.00 O ATOM 0 H GLU A 9 -48.897 -15.434 4.498 1.00 0.00 H new ATOM 0 HA GLU A 9 -49.762 -13.044 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -48.661 -13.355 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -50.266 -13.778 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -51.126 -11.629 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -49.989 -11.276 4.581 1.00 0.00 H new ATOM 130 N SER A 10 -52.280 -12.960 5.510 1.00 0.00 N ATOM 131 CA SER A 10 -53.721 -13.045 5.675 1.00 0.00 C ATOM 132 C SER A 10 -54.401 -11.884 4.947 1.00 0.00 C ATOM 133 O SER A 10 -53.736 -10.948 4.507 1.00 0.00 O ATOM 134 CB SER A 10 -54.108 -13.043 7.155 1.00 0.00 C ATOM 135 OG SER A 10 -53.706 -11.842 7.810 1.00 0.00 O ATOM 0 H SER A 10 -51.890 -12.027 5.643 1.00 0.00 H new ATOM 0 HA SER A 10 -54.059 -13.986 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 10 -55.187 -13.163 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 10 -53.649 -13.898 7.651 1.00 0.00 H new ATOM 0 HG SER A 10 -53.972 -11.878 8.752 1.00 0.00 H new ATOM 141 N SER A 11 -55.718 -11.983 4.843 1.00 0.00 N ATOM 142 CA SER A 11 -56.496 -10.952 4.176 1.00 0.00 C ATOM 143 C SER A 11 -57.189 -10.066 5.212 1.00 0.00 C ATOM 144 O SER A 11 -57.703 -10.562 6.213 1.00 0.00 O ATOM 145 CB SER A 11 -57.527 -11.567 3.228 1.00 0.00 C ATOM 146 OG SER A 11 -58.626 -12.138 3.933 1.00 0.00 O ATOM 0 H SER A 11 -56.266 -12.761 5.209 1.00 0.00 H new ATOM 0 HA SER A 11 -55.816 -10.341 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 11 -57.893 -10.801 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 11 -57.048 -12.334 2.620 1.00 0.00 H new ATOM 0 HG SER A 11 -59.263 -12.519 3.293 1.00 0.00 H new ATOM 152 N GLY A 12 -57.180 -8.770 4.937 1.00 0.00 N ATOM 153 CA GLY A 12 -57.802 -7.810 5.834 1.00 0.00 C ATOM 154 C GLY A 12 -57.160 -6.429 5.689 1.00 0.00 C ATOM 155 O GLY A 12 -57.810 -5.481 5.252 1.00 0.00 O ATOM 0 H GLY A 12 -56.752 -8.362 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -58.868 -7.744 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -57.705 -8.154 6.864 1.00 0.00 H new ATOM 159 N CYS A 13 -55.891 -6.360 6.065 1.00 0.00 N ATOM 160 CA CYS A 13 -55.153 -5.111 5.982 1.00 0.00 C ATOM 161 C CYS A 13 -55.896 -4.059 6.809 1.00 0.00 C ATOM 162 O CYS A 13 -56.409 -3.084 6.262 1.00 0.00 O ATOM 163 CB CYS A 13 -54.958 -4.663 4.532 1.00 0.00 C ATOM 164 SG CYS A 13 -53.327 -3.856 4.341 1.00 0.00 S ATOM 0 H CYS A 13 -55.355 -7.149 6.428 1.00 0.00 H new ATOM 0 HA CYS A 13 -54.151 -5.251 6.387 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -55.028 -5.522 3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -55.751 -3.972 4.246 1.00 0.00 H new ATOM 0 HG CYS A 13 -53.170 -3.481 3.106 1.00 0.00 H new ATOM 170 N ASN A 14 -55.930 -4.293 8.113 1.00 0.00 N ATOM 171 CA ASN A 14 -56.602 -3.378 9.020 1.00 0.00 C ATOM 172 C ASN A 14 -55.588 -2.368 9.562 1.00 0.00 C ATOM 173 O ASN A 14 -55.784 -1.802 10.636 1.00 0.00 O ATOM 174 CB ASN A 14 -57.207 -4.126 10.209 1.00 0.00 C ATOM 175 CG ASN A 14 -58.735 -4.126 10.138 1.00 0.00 C ATOM 176 OD1 ASN A 14 -59.371 -3.114 9.891 1.00 0.00 O ATOM 177 ND2 ASN A 14 -59.287 -5.314 10.367 1.00 0.00 N ATOM 0 H ASN A 14 -55.503 -5.103 8.563 1.00 0.00 H new ATOM 0 HA ASN A 14 -57.397 -2.878 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -56.840 -5.152 10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -56.883 -3.660 11.139 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -60.301 -5.418 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -58.696 -6.121 10.568 1.00 0.00 H new ATOM 184 N SER A 15 -54.526 -2.173 8.794 1.00 0.00 N ATOM 185 CA SER A 15 -53.482 -1.242 9.184 1.00 0.00 C ATOM 186 C SER A 15 -52.404 -1.180 8.099 1.00 0.00 C ATOM 187 O SER A 15 -51.448 -1.953 8.125 1.00 0.00 O ATOM 188 CB SER A 15 -52.862 -1.639 10.525 1.00 0.00 C ATOM 189 OG SER A 15 -52.290 -0.522 11.200 1.00 0.00 O ATOM 0 H SER A 15 -54.367 -2.644 7.904 1.00 0.00 H new ATOM 0 HA SER A 15 -53.930 -0.255 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 15 -53.625 -2.093 11.157 1.00 0.00 H new ATOM 0 HB3 SER A 15 -52.094 -2.395 10.360 1.00 0.00 H new ATOM 0 HG SER A 15 -51.906 -0.816 12.052 1.00 0.00 H new ATOM 195 N HIS A 16 -52.595 -0.253 7.172 1.00 0.00 N ATOM 196 CA HIS A 16 -51.652 -0.080 6.081 1.00 0.00 C ATOM 197 C HIS A 16 -50.875 1.224 6.275 1.00 0.00 C ATOM 198 O HIS A 16 -50.888 2.094 5.406 1.00 0.00 O ATOM 199 CB HIS A 16 -52.365 -0.149 4.729 1.00 0.00 C ATOM 200 CG HIS A 16 -53.624 0.681 4.656 1.00 0.00 C ATOM 201 ND1 HIS A 16 -53.618 2.062 4.756 1.00 0.00 N ATOM 202 CD2 HIS A 16 -54.927 0.313 4.492 1.00 0.00 C ATOM 203 CE1 HIS A 16 -54.867 2.494 4.656 1.00 0.00 C ATOM 204 NE2 HIS A 16 -55.676 1.408 4.492 1.00 0.00 N ATOM 0 H HIS A 16 -53.389 0.386 7.154 1.00 0.00 H new ATOM 0 HA HIS A 16 -50.930 -0.897 6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -51.678 0.182 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -52.614 -1.188 4.514 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -52.793 2.647 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -55.288 -0.699 4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -55.188 3.524 4.697 1.00 0.00 H new ATOM 212 N MET A 17 -50.217 1.318 7.421 1.00 0.00 N ATOM 213 CA MET A 17 -49.437 2.501 7.741 1.00 0.00 C ATOM 214 C MET A 17 -48.117 2.513 6.967 1.00 0.00 C ATOM 215 O MET A 17 -47.587 1.458 6.620 1.00 0.00 O ATOM 216 CB MET A 17 -49.148 2.532 9.243 1.00 0.00 C ATOM 217 CG MET A 17 -49.687 3.814 9.879 1.00 0.00 C ATOM 218 SD MET A 17 -50.381 3.455 11.484 1.00 0.00 S ATOM 219 CE MET A 17 -51.896 4.395 11.384 1.00 0.00 C ATOM 0 H MET A 17 -50.208 0.594 8.139 1.00 0.00 H new ATOM 0 HA MET A 17 -50.013 3.381 7.455 1.00 0.00 H new ATOM 0 HB2 MET A 17 -49.603 1.665 9.722 1.00 0.00 H new ATOM 0 HB3 MET A 17 -48.073 2.462 9.412 1.00 0.00 H new ATOM 0 HG2 MET A 17 -48.886 4.546 9.976 1.00 0.00 H new ATOM 0 HG3 MET A 17 -50.447 4.257 9.236 1.00 0.00 H new ATOM 0 HE1 MET A 17 -52.457 4.281 12.312 1.00 0.00 H new ATOM 0 HE2 MET A 17 -51.661 5.448 11.229 1.00 0.00 H new ATOM 0 HE3 MET A 17 -52.496 4.030 10.550 1.00 0.00 H new ATOM 229 N PRO A 18 -47.612 3.749 6.712 1.00 0.00 N ATOM 230 CA PRO A 18 -46.364 3.912 5.985 1.00 0.00 C ATOM 231 C PRO A 18 -45.165 3.567 6.870 1.00 0.00 C ATOM 232 O PRO A 18 -44.473 4.458 7.359 1.00 0.00 O ATOM 233 CB PRO A 18 -46.364 5.360 5.523 1.00 0.00 C ATOM 234 CG PRO A 18 -47.380 6.077 6.397 1.00 0.00 C ATOM 235 CD PRO A 18 -48.212 5.020 7.106 1.00 0.00 C ATOM 0 HA PRO A 18 -46.282 3.236 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -45.374 5.804 5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.634 5.434 4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -46.876 6.716 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -48.017 6.722 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -48.183 5.153 8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -49.259 5.073 6.806 1.00 0.00 H new ATOM 243 N TYR A 19 -44.955 2.271 7.048 1.00 0.00 N ATOM 244 CA TYR A 19 -43.852 1.796 7.866 1.00 0.00 C ATOM 245 C TYR A 19 -42.588 1.606 7.024 1.00 0.00 C ATOM 246 O TYR A 19 -42.653 1.090 5.909 1.00 0.00 O ATOM 247 CB TYR A 19 -44.290 0.439 8.420 1.00 0.00 C ATOM 248 CG TYR A 19 -43.135 -0.435 8.911 1.00 0.00 C ATOM 249 CD1 TYR A 19 -42.468 -1.258 8.026 1.00 0.00 C ATOM 250 CD2 TYR A 19 -42.759 -0.400 10.238 1.00 0.00 C ATOM 251 CE1 TYR A 19 -41.380 -2.082 8.489 1.00 0.00 C ATOM 252 CE2 TYR A 19 -41.671 -1.223 10.700 1.00 0.00 C ATOM 253 CZ TYR A 19 -41.036 -2.023 9.803 1.00 0.00 C ATOM 254 OH TYR A 19 -40.008 -2.800 10.239 1.00 0.00 O ATOM 0 H TYR A 19 -45.530 1.535 6.639 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.622 2.514 8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.985 0.602 9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -44.835 -0.099 7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -42.761 -1.284 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -43.280 0.244 10.930 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.850 -2.731 7.808 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.366 -1.205 11.736 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.872 -2.655 11.199 1.00 0.00 H new ATOM 264 N GLY A 20 -41.469 2.033 7.590 1.00 0.00 N ATOM 265 CA GLY A 20 -40.193 1.916 6.905 1.00 0.00 C ATOM 266 C GLY A 20 -39.031 1.970 7.899 1.00 0.00 C ATOM 267 O GLY A 20 -38.788 1.010 8.629 1.00 0.00 O ATOM 0 H GLY A 20 -41.419 2.460 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.159 0.978 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.092 2.721 6.177 1.00 0.00 H new ATOM 271 N TYR A 21 -38.343 3.102 7.896 1.00 0.00 N ATOM 272 CA TYR A 21 -37.212 3.294 8.788 1.00 0.00 C ATOM 273 C TYR A 21 -37.675 3.769 10.166 1.00 0.00 C ATOM 274 O TYR A 21 -37.103 4.701 10.730 1.00 0.00 O ATOM 275 CB TYR A 21 -36.350 4.384 8.148 1.00 0.00 C ATOM 276 CG TYR A 21 -35.573 3.920 6.915 1.00 0.00 C ATOM 277 CD1 TYR A 21 -34.317 3.366 7.059 1.00 0.00 C ATOM 278 CD2 TYR A 21 -36.127 4.055 5.659 1.00 0.00 C ATOM 279 CE1 TYR A 21 -33.585 2.929 5.898 1.00 0.00 C ATOM 280 CE2 TYR A 21 -35.396 3.618 4.498 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.161 3.076 4.675 1.00 0.00 C ATOM 282 OH TYR A 21 -33.470 2.663 3.578 1.00 0.00 O ATOM 0 H TYR A 21 -38.547 3.896 7.290 1.00 0.00 H new ATOM 0 HA TYR A 21 -36.669 2.359 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -36.990 5.221 7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -35.644 4.757 8.890 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -33.883 3.260 8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.110 4.489 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -32.601 2.495 5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -35.819 3.718 3.509 1.00 0.00 H new ATOM 0 HH TYR A 21 -34.004 2.829 2.773 1.00 0.00 H new ATOM 292 N ALA A 22 -38.707 3.107 10.669 1.00 0.00 N ATOM 293 CA ALA A 22 -39.254 3.451 11.970 1.00 0.00 C ATOM 294 C ALA A 22 -38.483 2.700 13.057 1.00 0.00 C ATOM 295 O ALA A 22 -37.801 3.314 13.877 1.00 0.00 O ATOM 296 CB ALA A 22 -40.751 3.136 11.995 1.00 0.00 C ATOM 0 H ALA A 22 -39.178 2.334 10.199 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.142 4.518 12.163 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -41.161 3.394 12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.258 3.716 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.902 2.073 11.808 1.00 0.00 H new ATOM 302 N ALA A 23 -38.615 1.382 13.029 1.00 0.00 N ATOM 303 CA ALA A 23 -37.939 0.540 14.002 1.00 0.00 C ATOM 304 C ALA A 23 -36.474 0.371 13.593 1.00 0.00 C ATOM 305 O ALA A 23 -35.687 -0.225 14.325 1.00 0.00 O ATOM 306 CB ALA A 23 -38.671 -0.798 14.115 1.00 0.00 C ATOM 0 H ALA A 23 -39.180 0.876 12.347 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.954 1.004 14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.164 -1.430 14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.698 -0.625 14.436 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.673 -1.295 13.145 1.00 0.00 H new ATOM 312 N GLN A 24 -36.154 0.907 12.424 1.00 0.00 N ATOM 313 CA GLN A 24 -34.798 0.823 11.909 1.00 0.00 C ATOM 314 C GLN A 24 -33.975 2.023 12.381 1.00 0.00 C ATOM 315 O GLN A 24 -32.787 2.123 12.081 1.00 0.00 O ATOM 316 CB GLN A 24 -34.797 0.724 10.382 1.00 0.00 C ATOM 317 CG GLN A 24 -33.986 -0.485 9.912 1.00 0.00 C ATOM 318 CD GLN A 24 -34.607 -1.790 10.414 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.521 -2.341 9.822 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.061 -2.253 11.535 1.00 0.00 N ATOM 0 H GLN A 24 -36.810 1.401 11.819 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.337 -0.084 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.821 0.643 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.379 1.635 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.940 -0.495 8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.961 -0.403 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.298 -1.742 11.980 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.405 -3.119 11.950 1.00 0.00 H new ATOM 329 N ALA A 25 -34.641 2.905 13.113 1.00 0.00 N ATOM 330 CA ALA A 25 -33.986 4.095 13.630 1.00 0.00 C ATOM 331 C ALA A 25 -32.837 3.680 14.551 1.00 0.00 C ATOM 332 O ALA A 25 -31.924 4.465 14.802 1.00 0.00 O ATOM 333 CB ALA A 25 -35.015 4.975 14.342 1.00 0.00 C ATOM 0 H ALA A 25 -35.627 2.819 13.360 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.561 4.683 12.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.524 5.868 14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.794 5.266 13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.461 4.419 15.167 1.00 0.00 H new ATOM 339 N ARG A 26 -32.920 2.447 15.029 1.00 0.00 N ATOM 340 CA ARG A 26 -31.898 1.919 15.917 1.00 0.00 C ATOM 341 C ARG A 26 -30.611 1.640 15.138 1.00 0.00 C ATOM 342 O ARG A 26 -29.515 1.745 15.685 1.00 0.00 O ATOM 343 CB ARG A 26 -32.368 0.628 16.591 1.00 0.00 C ATOM 344 CG ARG A 26 -31.710 0.454 17.961 1.00 0.00 C ATOM 345 CD ARG A 26 -32.725 -0.025 19.000 1.00 0.00 C ATOM 346 NE ARG A 26 -32.099 -1.020 19.899 1.00 0.00 N ATOM 347 CZ ARG A 26 -32.060 -2.347 19.650 1.00 0.00 C ATOM 348 NH1 ARG A 26 -32.613 -2.849 18.526 1.00 0.00 N ATOM 349 NH2 ARG A 26 -31.474 -3.145 20.523 1.00 0.00 N ATOM 0 H ARG A 26 -33.679 1.799 14.818 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.707 2.668 16.685 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.452 0.646 16.704 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.128 -0.226 15.957 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -30.893 -0.264 17.887 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.275 1.400 18.282 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.091 0.822 19.580 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.588 -0.466 18.501 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.670 -0.683 20.761 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -33.065 -2.225 17.857 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -32.579 -3.852 18.345 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -31.059 -2.757 21.370 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -31.436 -4.150 20.350 1.00 0.00 H new ATOM 362 N ALA A 27 -30.787 1.289 13.872 1.00 0.00 N ATOM 363 CA ALA A 27 -29.654 0.994 13.013 1.00 0.00 C ATOM 364 C ALA A 27 -28.893 2.288 12.716 1.00 0.00 C ATOM 365 O ALA A 27 -27.678 2.269 12.527 1.00 0.00 O ATOM 366 CB ALA A 27 -30.144 0.301 11.740 1.00 0.00 C ATOM 0 H ALA A 27 -31.698 1.203 13.421 1.00 0.00 H new ATOM 0 HA ALA A 27 -28.964 0.312 13.510 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.293 0.080 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.651 -0.627 12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.838 0.956 11.213 1.00 0.00 H new ATOM 372 N ARG A 28 -29.641 3.382 12.685 1.00 0.00 N ATOM 373 CA ARG A 28 -29.052 4.683 12.415 1.00 0.00 C ATOM 374 C ARG A 28 -28.034 5.040 13.500 1.00 0.00 C ATOM 375 O ARG A 28 -27.056 5.736 13.232 1.00 0.00 O ATOM 376 CB ARG A 28 -30.126 5.771 12.356 1.00 0.00 C ATOM 377 CG ARG A 28 -29.736 6.872 11.368 1.00 0.00 C ATOM 378 CD ARG A 28 -30.873 7.154 10.384 1.00 0.00 C ATOM 379 NE ARG A 28 -30.319 7.522 9.062 1.00 0.00 N ATOM 380 CZ ARG A 28 -31.006 8.194 8.114 1.00 0.00 C ATOM 381 NH1 ARG A 28 -32.282 8.578 8.335 1.00 0.00 N ATOM 382 NH2 ARG A 28 -30.412 8.470 6.968 1.00 0.00 N ATOM 0 H ARG A 28 -30.649 3.394 12.842 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.553 4.627 11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -31.078 5.331 12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -30.269 6.201 13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.487 7.783 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.842 6.574 10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.509 6.274 10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.500 7.961 10.762 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.358 7.251 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.733 8.361 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.794 9.085 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -29.448 8.176 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.917 8.977 6.241 1.00 0.00 H new ATOM 395 N GLU A 29 -28.298 4.547 14.701 1.00 0.00 N ATOM 396 CA GLU A 29 -27.416 4.805 15.826 1.00 0.00 C ATOM 397 C GLU A 29 -26.216 3.856 15.790 1.00 0.00 C ATOM 398 O GLU A 29 -25.155 4.170 16.327 1.00 0.00 O ATOM 399 CB GLU A 29 -28.170 4.685 17.152 1.00 0.00 C ATOM 400 CG GLU A 29 -27.938 5.918 18.028 1.00 0.00 C ATOM 401 CD GLU A 29 -27.453 5.516 19.423 1.00 0.00 C ATOM 402 OE1 GLU A 29 -26.247 5.588 19.704 1.00 0.00 O ATOM 403 OE2 GLU A 29 -28.378 5.118 20.228 1.00 0.00 O ATOM 0 H GLU A 29 -29.110 3.970 14.919 1.00 0.00 H new ATOM 0 HA GLU A 29 -27.047 5.828 15.746 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.236 4.567 16.959 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.841 3.791 17.682 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.202 6.570 17.557 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -28.863 6.489 18.111 1.00 0.00 H new ATOM 411 N ARG A 30 -26.425 2.714 15.150 1.00 0.00 N ATOM 412 CA ARG A 30 -25.374 1.718 15.037 1.00 0.00 C ATOM 413 C ARG A 30 -24.552 1.956 13.769 1.00 0.00 C ATOM 414 O ARG A 30 -23.368 1.624 13.721 1.00 0.00 O ATOM 415 CB ARG A 30 -25.957 0.304 15.000 1.00 0.00 C ATOM 416 CG ARG A 30 -25.956 -0.326 16.394 1.00 0.00 C ATOM 417 CD ARG A 30 -25.676 -1.828 16.317 1.00 0.00 C ATOM 418 NE ARG A 30 -25.105 -2.303 17.598 1.00 0.00 N ATOM 419 CZ ARG A 30 -25.845 -2.675 18.664 1.00 0.00 C ATOM 420 NH1 ARG A 30 -27.194 -2.630 18.612 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.231 -3.083 19.758 1.00 0.00 N ATOM 0 H ARG A 30 -27.306 2.457 14.705 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.733 1.812 15.913 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -26.975 0.337 14.613 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.376 -0.315 14.317 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.201 0.157 17.015 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.920 -0.156 16.874 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.598 -2.367 16.098 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.983 -2.036 15.501 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.089 -2.352 17.680 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.661 -2.313 17.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.745 -2.913 19.422 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.212 -3.114 19.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.775 -3.368 20.572 1.00 0.00 H new ATOM 434 N GLU A 31 -25.211 2.529 12.773 1.00 0.00 N ATOM 435 CA GLU A 31 -24.556 2.815 11.508 1.00 0.00 C ATOM 436 C GLU A 31 -23.326 3.696 11.735 1.00 0.00 C ATOM 437 O GLU A 31 -22.370 3.644 10.962 1.00 0.00 O ATOM 438 CB GLU A 31 -25.526 3.471 10.524 1.00 0.00 C ATOM 439 CG GLU A 31 -26.256 2.418 9.688 1.00 0.00 C ATOM 440 CD GLU A 31 -27.334 3.062 8.814 1.00 0.00 C ATOM 441 OE1 GLU A 31 -28.530 2.947 9.118 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.891 3.702 7.785 1.00 0.00 O ATOM 0 H GLU A 31 -26.193 2.803 12.816 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.228 1.872 11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.252 4.073 11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.980 4.148 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.541 1.889 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -26.711 1.677 10.346 1.00 0.00 H new ATOM 450 N ARG A 32 -23.390 4.484 12.798 1.00 0.00 N ATOM 451 CA ARG A 32 -22.293 5.375 13.136 1.00 0.00 C ATOM 452 C ARG A 32 -21.010 4.573 13.365 1.00 0.00 C ATOM 453 O ARG A 32 -19.912 5.066 13.109 1.00 0.00 O ATOM 454 CB ARG A 32 -22.610 6.186 14.394 1.00 0.00 C ATOM 455 CG ARG A 32 -22.694 7.680 14.076 1.00 0.00 C ATOM 456 CD ARG A 32 -21.913 8.504 15.102 1.00 0.00 C ATOM 457 NE ARG A 32 -22.388 9.905 15.093 1.00 0.00 N ATOM 458 CZ ARG A 32 -21.974 10.839 14.210 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.073 10.527 13.255 1.00 0.00 N ATOM 460 NH2 ARG A 32 -22.465 12.061 14.294 1.00 0.00 N ATOM 0 H ARG A 32 -24.184 4.524 13.437 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.153 6.061 12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.554 5.848 14.821 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.840 6.013 15.146 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.298 7.866 13.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.737 7.996 14.069 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.038 8.075 16.096 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.848 8.471 14.872 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.071 10.183 15.798 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.699 9.580 13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.766 11.238 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -23.147 12.288 15.018 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.163 12.778 13.635 1.00 0.00 H new ATOM 473 N LEU A 33 -21.190 3.351 13.844 1.00 0.00 N ATOM 474 CA LEU A 33 -20.061 2.477 14.110 1.00 0.00 C ATOM 475 C LEU A 33 -19.750 1.657 12.856 1.00 0.00 C ATOM 476 O LEU A 33 -18.689 1.041 12.760 1.00 0.00 O ATOM 477 CB LEU A 33 -20.324 1.624 15.352 1.00 0.00 C ATOM 478 CG LEU A 33 -19.254 1.683 16.445 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.862 1.409 17.822 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.096 0.735 16.131 1.00 0.00 C ATOM 0 H LEU A 33 -22.102 2.945 14.055 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.171 3.064 14.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.275 1.932 15.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.438 0.586 15.038 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.845 2.693 16.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.081 1.457 18.581 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.624 2.157 18.039 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.315 0.417 17.829 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.350 0.797 16.923 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.470 -0.287 16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.641 1.018 15.182 1.00 0.00 H new ATOM 492 N ALA A 34 -20.694 1.675 11.926 1.00 0.00 N ATOM 493 CA ALA A 34 -20.534 0.941 10.683 1.00 0.00 C ATOM 494 C ALA A 34 -19.692 1.770 9.711 1.00 0.00 C ATOM 495 O ALA A 34 -19.502 1.380 8.560 1.00 0.00 O ATOM 496 CB ALA A 34 -21.911 0.596 10.113 1.00 0.00 C ATOM 0 H ALA A 34 -21.572 2.187 12.009 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.008 0.002 10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.791 0.045 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.458 -0.018 10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.467 1.514 9.923 1.00 0.00 H new ATOM 502 N HIS A 35 -19.210 2.899 10.210 1.00 0.00 N ATOM 503 CA HIS A 35 -18.392 3.787 9.400 1.00 0.00 C ATOM 504 C HIS A 35 -16.918 3.411 9.556 1.00 0.00 C ATOM 505 O HIS A 35 -16.070 3.878 8.796 1.00 0.00 O ATOM 506 CB HIS A 35 -18.672 5.250 9.747 1.00 0.00 C ATOM 507 CG HIS A 35 -19.676 5.917 8.837 1.00 0.00 C ATOM 508 ND1 HIS A 35 -20.994 5.505 8.747 1.00 0.00 N ATOM 509 CD2 HIS A 35 -19.541 6.969 7.980 1.00 0.00 C ATOM 510 CE1 HIS A 35 -21.616 6.281 7.871 1.00 0.00 C ATOM 511 NE2 HIS A 35 -20.713 7.188 7.397 1.00 0.00 N ATOM 0 H HIS A 35 -19.370 3.219 11.165 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.651 3.668 8.348 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.034 5.306 10.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.736 5.807 9.708 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -21.415 4.735 9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.634 7.529 7.805 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -22.654 6.208 7.583 1.00 0.00 H new ATOM 519 N SER A 36 -16.656 2.571 10.547 1.00 0.00 N ATOM 520 CA SER A 36 -15.298 2.127 10.812 1.00 0.00 C ATOM 521 C SER A 36 -14.997 0.856 10.016 1.00 0.00 C ATOM 522 O SER A 36 -13.835 0.517 9.797 1.00 0.00 O ATOM 523 CB SER A 36 -15.082 1.881 12.307 1.00 0.00 C ATOM 524 OG SER A 36 -13.767 2.240 12.722 1.00 0.00 O ATOM 0 H SER A 36 -17.361 2.186 11.176 1.00 0.00 H new ATOM 0 HA SER A 36 -14.613 2.915 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.812 2.455 12.878 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.258 0.829 12.531 1.00 0.00 H new ATOM 0 HG SER A 36 -13.669 2.070 13.682 1.00 0.00 H new ATOM 530 N ARG A 37 -16.065 0.188 9.605 1.00 0.00 N ATOM 531 CA ARG A 37 -15.930 -1.039 8.837 1.00 0.00 C ATOM 532 C ARG A 37 -15.888 -0.726 7.340 1.00 0.00 C ATOM 533 O ARG A 37 -15.997 -1.628 6.511 1.00 0.00 O ATOM 534 CB ARG A 37 -17.090 -1.996 9.120 1.00 0.00 C ATOM 535 CG ARG A 37 -16.591 -3.434 9.267 1.00 0.00 C ATOM 536 CD ARG A 37 -17.029 -4.291 8.077 1.00 0.00 C ATOM 537 NE ARG A 37 -15.853 -4.959 7.474 1.00 0.00 N ATOM 538 CZ ARG A 37 -15.930 -6.014 6.635 1.00 0.00 C ATOM 539 NH1 ARG A 37 -17.129 -6.530 6.290 1.00 0.00 N ATOM 540 NH2 ARG A 37 -14.815 -6.533 6.156 1.00 0.00 N ATOM 0 H ARG A 37 -17.027 0.473 9.789 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.998 -1.518 9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.604 -1.691 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.818 -1.941 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.504 -3.439 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.977 -3.864 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.754 -5.037 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.525 -3.668 7.333 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.927 -4.600 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.986 -6.123 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.178 -7.327 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.913 -6.137 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.855 -7.330 5.521 1.00 0.00 H new ATOM 553 N ALA A 38 -15.729 0.554 7.040 1.00 0.00 N ATOM 554 CA ALA A 38 -15.672 0.997 5.657 1.00 0.00 C ATOM 555 C ALA A 38 -14.399 0.454 5.005 1.00 0.00 C ATOM 556 O ALA A 38 -14.461 -0.213 3.974 1.00 0.00 O ATOM 557 CB ALA A 38 -15.748 2.524 5.606 1.00 0.00 C ATOM 0 H ALA A 38 -15.638 1.299 7.731 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.522 0.610 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.705 2.856 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.684 2.857 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.909 2.949 6.158 1.00 0.00 H new ATOM 563 N ALA A 39 -13.273 0.761 5.633 1.00 0.00 N ATOM 564 CA ALA A 39 -11.987 0.312 5.127 1.00 0.00 C ATOM 565 C ALA A 39 -12.074 -1.173 4.772 1.00 0.00 C ATOM 566 O ALA A 39 -12.136 -2.025 5.658 1.00 0.00 O ATOM 567 CB ALA A 39 -10.901 0.601 6.165 1.00 0.00 C ATOM 0 H ALA A 39 -13.225 1.315 6.488 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.722 0.853 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.936 0.264 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.860 1.673 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.132 0.072 7.090 1.00 0.00 H new ATOM 573 N ALA A 40 -12.076 -1.440 3.474 1.00 0.00 N ATOM 574 CA ALA A 40 -12.154 -2.808 2.991 1.00 0.00 C ATOM 575 C ALA A 40 -10.742 -3.386 2.878 1.00 0.00 C ATOM 576 O ALA A 40 -10.307 -3.764 1.792 1.00 0.00 O ATOM 577 CB ALA A 40 -12.904 -2.836 1.657 1.00 0.00 C ATOM 0 H ALA A 40 -12.025 -0.732 2.742 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.710 -3.431 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.963 -3.862 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.911 -2.442 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.373 -2.223 0.928 1.00 0.00 H new ATOM 583 N ALA A 41 -10.065 -3.436 4.016 1.00 0.00 N ATOM 584 CA ALA A 41 -8.711 -3.962 4.059 1.00 0.00 C ATOM 585 C ALA A 41 -8.607 -5.168 3.124 1.00 0.00 C ATOM 586 O ALA A 41 -7.671 -5.265 2.332 1.00 0.00 O ATOM 587 CB ALA A 41 -8.344 -4.309 5.503 1.00 0.00 C ATOM 0 H ALA A 41 -10.429 -3.121 4.915 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.997 -3.215 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.328 -4.704 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.405 -3.412 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.037 -5.059 5.884 1.00 0.00 H new ATOM 593 N ALA A 42 -9.582 -6.057 3.247 1.00 0.00 N ATOM 594 CA ALA A 42 -9.612 -7.253 2.423 1.00 0.00 C ATOM 595 C ALA A 42 -9.518 -6.854 0.949 1.00 0.00 C ATOM 596 O ALA A 42 -8.649 -7.337 0.225 1.00 0.00 O ATOM 597 CB ALA A 42 -10.879 -8.054 2.731 1.00 0.00 C ATOM 0 H ALA A 42 -10.357 -5.973 3.905 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.759 -7.894 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.901 -8.951 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.883 -8.338 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.756 -7.444 2.517 1.00 0.00 H new ATOM 603 N ALA A 43 -10.427 -5.977 0.548 1.00 0.00 N ATOM 604 CA ALA A 43 -10.458 -5.508 -0.827 1.00 0.00 C ATOM 605 C ALA A 43 -9.045 -5.109 -1.257 1.00 0.00 C ATOM 606 O ALA A 43 -8.731 -5.110 -2.447 1.00 0.00 O ATOM 607 CB ALA A 43 -11.453 -4.352 -0.950 1.00 0.00 C ATOM 0 H ALA A 43 -11.147 -5.579 1.151 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.795 -6.301 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.476 -4.000 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.447 -4.695 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.146 -3.536 -0.295 1.00 0.00 H new ATOM 613 N VAL A 44 -8.230 -4.778 -0.266 1.00 0.00 N ATOM 614 CA VAL A 44 -6.858 -4.378 -0.527 1.00 0.00 C ATOM 615 C VAL A 44 -5.935 -5.583 -0.337 1.00 0.00 C ATOM 616 O VAL A 44 -4.905 -5.692 -1.000 1.00 0.00 O ATOM 617 CB VAL A 44 -6.481 -3.190 0.360 1.00 0.00 C ATOM 618 CG1 VAL A 44 -5.087 -3.376 0.962 1.00 0.00 C ATOM 619 CG2 VAL A 44 -6.572 -1.875 -0.416 1.00 0.00 C ATOM 0 H VAL A 44 -8.494 -4.779 0.719 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.748 -4.044 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.197 -3.144 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.844 -2.518 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.070 -4.283 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.353 -3.460 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.299 -1.047 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.890 -1.906 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.592 -1.734 -0.774 1.00 0.00 H new ATOM 629 N ALA A 45 -6.338 -6.459 0.573 1.00 0.00 N ATOM 630 CA ALA A 45 -5.559 -7.652 0.860 1.00 0.00 C ATOM 631 C ALA A 45 -5.023 -8.233 -0.450 1.00 0.00 C ATOM 632 O ALA A 45 -3.816 -8.403 -0.609 1.00 0.00 O ATOM 633 CB ALA A 45 -6.424 -8.652 1.630 1.00 0.00 C ATOM 0 H ALA A 45 -7.193 -6.366 1.121 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.702 -7.409 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.841 -9.547 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.756 -8.201 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.292 -8.921 1.028 1.00 0.00 H new ATOM 639 N ALA A 46 -5.947 -8.520 -1.355 1.00 0.00 N ATOM 640 CA ALA A 46 -5.582 -9.078 -2.646 1.00 0.00 C ATOM 641 C ALA A 46 -4.797 -8.036 -3.444 1.00 0.00 C ATOM 642 O ALA A 46 -3.768 -8.350 -4.040 1.00 0.00 O ATOM 643 CB ALA A 46 -6.844 -9.543 -3.377 1.00 0.00 C ATOM 0 H ALA A 46 -6.948 -8.377 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.939 -9.949 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.570 -9.962 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.349 -10.304 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.513 -8.695 -3.524 1.00 0.00 H new ATOM 649 N ALA A 47 -5.313 -6.815 -3.430 1.00 0.00 N ATOM 650 CA ALA A 47 -4.673 -5.724 -4.145 1.00 0.00 C ATOM 651 C ALA A 47 -3.269 -5.503 -3.578 1.00 0.00 C ATOM 652 O ALA A 47 -2.762 -6.333 -2.825 1.00 0.00 O ATOM 653 CB ALA A 47 -5.545 -4.470 -4.050 1.00 0.00 C ATOM 0 H ALA A 47 -6.167 -6.558 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.567 -5.967 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.065 -3.652 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.521 -4.671 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.671 -4.193 -3.003 1.00 0.00 H new ATOM 659 N THR A 48 -2.682 -4.378 -3.961 1.00 0.00 N ATOM 660 CA THR A 48 -1.346 -4.037 -3.500 1.00 0.00 C ATOM 661 C THR A 48 -0.465 -5.287 -3.449 1.00 0.00 C ATOM 662 O THR A 48 0.218 -5.528 -2.455 1.00 0.00 O ATOM 663 CB THR A 48 -1.478 -3.331 -2.150 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.132 -3.080 -1.756 1.00 0.00 O ATOM 665 CG2 THR A 48 -2.021 -4.254 -1.057 1.00 0.00 C ATOM 0 H THR A 48 -3.106 -3.692 -4.585 1.00 0.00 H new ATOM 0 HA THR A 48 -0.850 -3.356 -4.192 1.00 0.00 H new ATOM 0 HB THR A 48 -2.135 -2.468 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.335 -3.932 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.095 -3.703 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.008 -4.616 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.347 -5.101 -0.928 1.00 0.00 H new ATOM 673 N ALA A 49 -0.508 -6.047 -4.533 1.00 0.00 N ATOM 674 CA ALA A 49 0.279 -7.266 -4.624 1.00 0.00 C ATOM 675 C ALA A 49 1.665 -7.019 -4.025 1.00 0.00 C ATOM 676 O ALA A 49 2.216 -5.927 -4.156 1.00 0.00 O ATOM 677 CB ALA A 49 0.347 -7.721 -6.083 1.00 0.00 C ATOM 0 H ALA A 49 -1.075 -5.843 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.188 -8.069 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.937 -8.635 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.661 -7.911 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.813 -6.942 -6.686 1.00 0.00 H new ATOM 683 N ALA A 50 2.188 -8.051 -3.380 1.00 0.00 N ATOM 684 CA ALA A 50 3.498 -7.960 -2.760 1.00 0.00 C ATOM 685 C ALA A 50 4.574 -8.260 -3.805 1.00 0.00 C ATOM 686 O ALA A 50 5.461 -9.079 -3.571 1.00 0.00 O ATOM 687 CB ALA A 50 3.566 -8.913 -1.565 1.00 0.00 C ATOM 0 H ALA A 50 1.728 -8.955 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 50 3.674 -6.952 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.550 -8.844 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.801 -8.640 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.396 -9.935 -1.904 1.00 0.00 H new ATOM 693 N VAL A 51 4.460 -7.580 -4.937 1.00 0.00 N ATOM 694 CA VAL A 51 5.412 -7.764 -6.019 1.00 0.00 C ATOM 695 C VAL A 51 5.643 -6.424 -6.722 1.00 0.00 C ATOM 696 O VAL A 51 5.420 -6.304 -7.926 1.00 0.00 O ATOM 697 CB VAL A 51 4.921 -8.859 -6.968 1.00 0.00 C ATOM 698 CG1 VAL A 51 5.756 -8.889 -8.250 1.00 0.00 C ATOM 699 CG2 VAL A 51 4.926 -10.225 -6.278 1.00 0.00 C ATOM 0 H VAL A 51 3.723 -6.901 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 51 6.374 -8.098 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 51 3.892 -8.627 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.386 -9.676 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.679 -7.927 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.799 -9.085 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.573 -10.986 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.940 -10.468 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.269 -10.196 -5.409 1.00 0.00 H new ATOM 709 N GLU A 52 6.088 -5.451 -5.940 1.00 0.00 N ATOM 710 CA GLU A 52 6.352 -4.125 -6.472 1.00 0.00 C ATOM 711 C GLU A 52 7.847 -3.809 -6.393 1.00 0.00 C ATOM 712 O GLU A 52 8.583 -4.455 -5.648 1.00 0.00 O ATOM 713 CB GLU A 52 5.528 -3.066 -5.738 1.00 0.00 C ATOM 714 CG GLU A 52 5.422 -1.783 -6.565 1.00 0.00 C ATOM 715 CD GLU A 52 4.397 -0.822 -5.957 1.00 0.00 C ATOM 716 OE1 GLU A 52 4.551 -0.402 -4.801 1.00 0.00 O ATOM 717 OE2 GLU A 52 3.414 -0.513 -6.733 1.00 0.00 O ATOM 0 H GLU A 52 6.272 -5.555 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 52 6.052 -4.109 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.530 -3.454 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.988 -2.845 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.396 -1.297 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.135 -2.028 -7.588 1.00 0.00 H new ATOM 725 N GLY A 53 8.251 -2.816 -7.171 1.00 0.00 N ATOM 726 CA GLY A 53 9.645 -2.407 -7.199 1.00 0.00 C ATOM 727 C GLY A 53 9.957 -1.605 -8.464 1.00 0.00 C ATOM 728 O GLY A 53 10.508 -2.142 -9.424 1.00 0.00 O ATOM 0 H GLY A 53 7.637 -2.282 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.869 -1.805 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.287 -3.287 -7.155 1.00 0.00 H new ATOM 732 N THR A 54 9.590 -0.332 -8.424 1.00 0.00 N ATOM 733 CA THR A 54 9.823 0.549 -9.556 1.00 0.00 C ATOM 734 C THR A 54 10.965 1.520 -9.249 1.00 0.00 C ATOM 735 O THR A 54 10.786 2.735 -9.315 1.00 0.00 O ATOM 736 CB THR A 54 8.504 1.248 -9.890 1.00 0.00 C ATOM 737 OG1 THR A 54 8.873 2.253 -10.831 1.00 0.00 O ATOM 738 CG2 THR A 54 7.942 2.036 -8.705 1.00 0.00 C ATOM 0 H THR A 54 9.133 0.110 -7.626 1.00 0.00 H new ATOM 0 HA THR A 54 10.142 -0.011 -10.435 1.00 0.00 H new ATOM 0 HB THR A 54 7.772 0.507 -10.213 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.371 2.962 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.006 2.512 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.760 1.358 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.659 2.799 -8.403 1.00 0.00 H new ATOM 746 N GLY A 55 12.114 0.947 -8.920 1.00 0.00 N ATOM 747 CA GLY A 55 13.285 1.747 -8.603 1.00 0.00 C ATOM 748 C GLY A 55 14.504 1.273 -9.396 1.00 0.00 C ATOM 749 O GLY A 55 14.816 1.825 -10.451 1.00 0.00 O ATOM 0 H GLY A 55 12.259 -0.061 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.086 2.795 -8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.495 1.684 -7.535 1.00 0.00 H new ATOM 753 N GLY A 56 15.161 0.256 -8.859 1.00 0.00 N ATOM 754 CA GLY A 56 16.339 -0.299 -9.504 1.00 0.00 C ATOM 755 C GLY A 56 17.015 -1.339 -8.609 1.00 0.00 C ATOM 756 O GLY A 56 16.419 -2.364 -8.281 1.00 0.00 O ATOM 0 H GLY A 56 14.900 -0.199 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.057 -0.758 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.043 0.501 -9.734 1.00 0.00 H new ATOM 760 N SER A 57 18.252 -1.040 -8.239 1.00 0.00 N ATOM 761 CA SER A 57 19.016 -1.937 -7.388 1.00 0.00 C ATOM 762 C SER A 57 20.347 -1.286 -7.004 1.00 0.00 C ATOM 763 O SER A 57 20.722 -0.256 -7.562 1.00 0.00 O ATOM 764 CB SER A 57 19.262 -3.278 -8.082 1.00 0.00 C ATOM 765 OG SER A 57 20.280 -3.187 -9.074 1.00 0.00 O ATOM 0 H SER A 57 18.744 -0.189 -8.513 1.00 0.00 H new ATOM 0 HA SER A 57 18.437 -2.127 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.545 -4.024 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.336 -3.623 -8.543 1.00 0.00 H new ATOM 0 HG SER A 57 20.408 -4.064 -9.492 1.00 0.00 H new ATOM 771 N GLY A 58 21.023 -1.915 -6.054 1.00 0.00 N ATOM 772 CA GLY A 58 22.304 -1.410 -5.589 1.00 0.00 C ATOM 773 C GLY A 58 23.355 -1.475 -6.699 1.00 0.00 C ATOM 774 O GLY A 58 23.014 -1.564 -7.877 1.00 0.00 O ATOM 0 H GLY A 58 20.708 -2.769 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.191 -0.380 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 58 22.639 -1.993 -4.731 1.00 0.00 H new ATOM 778 N GLY A 59 24.612 -1.429 -6.283 1.00 0.00 N ATOM 779 CA GLY A 59 25.715 -1.482 -7.227 1.00 0.00 C ATOM 780 C GLY A 59 26.738 -2.544 -6.817 1.00 0.00 C ATOM 781 O GLY A 59 26.524 -3.276 -5.853 1.00 0.00 O ATOM 0 H GLY A 59 24.891 -1.356 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 25.335 -1.704 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 59 26.199 -0.507 -7.281 1.00 0.00 H new ATOM 785 N GLY A 60 27.826 -2.594 -7.571 1.00 0.00 N ATOM 786 CA GLY A 60 28.882 -3.554 -7.299 1.00 0.00 C ATOM 787 C GLY A 60 30.184 -2.845 -6.920 1.00 0.00 C ATOM 788 O GLY A 60 30.345 -1.654 -7.183 1.00 0.00 O ATOM 0 H GLY A 60 27.999 -1.985 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 28.576 -4.217 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 60 29.046 -4.178 -8.177 1.00 0.00 H new ATOM 792 N PRO A 61 31.102 -3.627 -6.292 1.00 0.00 N ATOM 793 CA PRO A 61 32.385 -3.086 -5.875 1.00 0.00 C ATOM 794 C PRO A 61 33.316 -2.894 -7.074 1.00 0.00 C ATOM 795 O PRO A 61 34.177 -3.733 -7.336 1.00 0.00 O ATOM 796 CB PRO A 61 32.921 -4.083 -4.860 1.00 0.00 C ATOM 797 CG PRO A 61 32.145 -5.369 -5.090 1.00 0.00 C ATOM 798 CD PRO A 61 30.946 -5.041 -5.965 1.00 0.00 C ATOM 0 HA PRO A 61 32.299 -2.094 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.991 -4.242 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.780 -3.718 -3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.777 -6.115 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 61 31.820 -5.793 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.932 -5.656 -6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.009 -5.225 -5.439 1.00 0.00 H new ATOM 806 N HIS A 62 33.112 -1.786 -7.770 1.00 0.00 N ATOM 807 CA HIS A 62 33.922 -1.473 -8.935 1.00 0.00 C ATOM 808 C HIS A 62 35.337 -1.098 -8.490 1.00 0.00 C ATOM 809 O HIS A 62 35.575 -0.851 -7.309 1.00 0.00 O ATOM 810 CB HIS A 62 33.258 -0.386 -9.782 1.00 0.00 C ATOM 811 CG HIS A 62 33.078 -0.763 -11.233 1.00 0.00 C ATOM 812 ND1 HIS A 62 31.975 -0.379 -11.976 1.00 0.00 N ATOM 813 CD2 HIS A 62 33.871 -1.491 -12.070 1.00 0.00 C ATOM 814 CE1 HIS A 62 32.109 -0.861 -13.203 1.00 0.00 C ATOM 815 NE2 HIS A 62 33.284 -1.550 -13.259 1.00 0.00 N ATOM 0 H HIS A 62 32.397 -1.093 -7.550 1.00 0.00 H new ATOM 0 HA HIS A 62 34.001 -2.352 -9.575 1.00 0.00 H new ATOM 0 HB2 HIS A 62 32.283 -0.151 -9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 62 33.858 0.522 -9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 62 34.817 -1.943 -11.810 1.00 0.00 H new ATOM 0 HE1 HIS A 62 31.410 -0.731 -14.016 1.00 0.00 H new ATOM 0 HE2 HIS A 62 33.652 -2.032 -14.080 1.00 0.00 H new ATOM 823 N HIS A 63 36.239 -1.066 -9.460 1.00 0.00 N ATOM 824 CA HIS A 63 37.624 -0.725 -9.183 1.00 0.00 C ATOM 825 C HIS A 63 37.677 0.436 -8.189 1.00 0.00 C ATOM 826 O HIS A 63 36.903 1.386 -8.296 1.00 0.00 O ATOM 827 CB HIS A 63 38.380 -0.431 -10.480 1.00 0.00 C ATOM 828 CG HIS A 63 38.008 -1.339 -11.628 1.00 0.00 C ATOM 829 ND1 HIS A 63 38.353 -2.679 -11.666 1.00 0.00 N ATOM 830 CD2 HIS A 63 37.318 -1.087 -12.777 1.00 0.00 C ATOM 831 CE1 HIS A 63 37.887 -3.199 -12.791 1.00 0.00 C ATOM 832 NE2 HIS A 63 37.246 -2.211 -13.479 1.00 0.00 N ATOM 0 H HIS A 63 36.038 -1.271 -10.439 1.00 0.00 H new ATOM 0 HA HIS A 63 38.127 -1.575 -8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 63 38.192 0.602 -10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 63 39.450 -0.519 -10.293 1.00 0.00 H new ATOM 0 HD2 HIS A 63 36.901 -0.134 -13.067 1.00 0.00 H new ATOM 0 HE1 HIS A 63 37.995 -4.226 -13.108 1.00 0.00 H new ATOM 0 HE2 HIS A 63 36.787 -2.318 -14.384 1.00 0.00 H new ATOM 840 N HIS A 64 38.599 0.322 -7.244 1.00 0.00 N ATOM 841 CA HIS A 64 38.764 1.351 -6.232 1.00 0.00 C ATOM 842 C HIS A 64 39.700 2.442 -6.756 1.00 0.00 C ATOM 843 O HIS A 64 39.305 3.602 -6.870 1.00 0.00 O ATOM 844 CB HIS A 64 39.243 0.743 -4.912 1.00 0.00 C ATOM 845 CG HIS A 64 39.516 1.760 -3.830 1.00 0.00 C ATOM 846 ND1 HIS A 64 38.561 2.661 -3.390 1.00 0.00 N ATOM 847 CD2 HIS A 64 40.643 2.010 -3.104 1.00 0.00 C ATOM 848 CE1 HIS A 64 39.101 3.413 -2.443 1.00 0.00 C ATOM 849 NE2 HIS A 64 40.392 3.009 -2.268 1.00 0.00 N ATOM 0 H HIS A 64 39.239 -0.467 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 64 37.801 1.817 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 64 38.491 0.040 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 64 40.152 0.171 -5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 64 41.582 1.483 -3.194 1.00 0.00 H new ATOM 0 HE1 HIS A 64 38.606 4.207 -1.904 1.00 0.00 H new ATOM 0 HE2 HIS A 64 41.055 3.409 -1.604 1.00 0.00 H new ATOM 857 N HIS A 65 40.922 2.032 -7.062 1.00 0.00 N ATOM 858 CA HIS A 65 41.917 2.960 -7.572 1.00 0.00 C ATOM 859 C HIS A 65 42.228 4.015 -6.508 1.00 0.00 C ATOM 860 O HIS A 65 41.573 5.055 -6.449 1.00 0.00 O ATOM 861 CB HIS A 65 41.461 3.572 -8.897 1.00 0.00 C ATOM 862 CG HIS A 65 41.446 2.598 -10.051 1.00 0.00 C ATOM 863 ND1 HIS A 65 42.564 1.882 -10.443 1.00 0.00 N ATOM 864 CD2 HIS A 65 40.437 2.227 -10.891 1.00 0.00 C ATOM 865 CE1 HIS A 65 42.232 1.120 -11.474 1.00 0.00 C ATOM 866 NE2 HIS A 65 40.914 1.335 -11.751 1.00 0.00 N ATOM 0 H HIS A 65 41.246 1.069 -6.967 1.00 0.00 H new ATOM 0 HA HIS A 65 42.842 2.425 -7.785 1.00 0.00 H new ATOM 0 HB2 HIS A 65 40.460 3.984 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 65 42.119 4.405 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 65 39.423 2.596 -10.861 1.00 0.00 H new ATOM 0 HE1 HIS A 65 42.890 0.446 -12.003 1.00 0.00 H new ATOM 0 HE2 HIS A 65 40.382 0.885 -12.496 1.00 0.00 H new ATOM 874 N GLN A 66 43.227 3.710 -5.693 1.00 0.00 N ATOM 875 CA GLN A 66 43.633 4.619 -4.634 1.00 0.00 C ATOM 876 C GLN A 66 44.116 5.944 -5.228 1.00 0.00 C ATOM 877 O GLN A 66 44.174 6.097 -6.447 1.00 0.00 O ATOM 878 CB GLN A 66 44.712 3.987 -3.753 1.00 0.00 C ATOM 879 CG GLN A 66 44.723 4.621 -2.360 1.00 0.00 C ATOM 880 CD GLN A 66 44.816 3.550 -1.271 1.00 0.00 C ATOM 881 OE1 GLN A 66 45.024 2.377 -1.534 1.00 0.00 O ATOM 882 NE2 GLN A 66 44.651 4.018 -0.037 1.00 0.00 N ATOM 0 H GLN A 66 43.767 2.846 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 66 42.767 4.821 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 66 44.535 2.915 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 66 45.688 4.112 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 66 45.567 5.306 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 66 43.818 5.211 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 66 44.480 5.012 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 66 44.695 3.383 0.760 1.00 0.00 H new ATOM 891 N THR A 67 44.451 6.867 -4.338 1.00 0.00 N ATOM 892 CA THR A 67 44.927 8.174 -4.759 1.00 0.00 C ATOM 893 C THR A 67 46.272 8.045 -5.477 1.00 0.00 C ATOM 894 O THR A 67 47.127 7.262 -5.066 1.00 0.00 O ATOM 895 CB THR A 67 44.982 9.077 -3.525 1.00 0.00 C ATOM 896 OG1 THR A 67 45.261 8.182 -2.452 1.00 0.00 O ATOM 897 CG2 THR A 67 43.615 9.668 -3.172 1.00 0.00 C ATOM 0 H THR A 67 44.402 6.736 -3.328 1.00 0.00 H new ATOM 0 HA THR A 67 44.249 8.628 -5.482 1.00 0.00 H new ATOM 0 HB THR A 67 45.694 9.885 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 67 45.316 8.685 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 67 43.709 10.301 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 67 43.249 10.264 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 67 42.912 8.861 -2.967 1.00 0.00 H new ATOM 905 N ARG A 68 46.417 8.825 -6.538 1.00 0.00 N ATOM 906 CA ARG A 68 47.643 8.809 -7.318 1.00 0.00 C ATOM 907 C ARG A 68 48.860 8.894 -6.395 1.00 0.00 C ATOM 908 O ARG A 68 48.732 9.250 -5.224 1.00 0.00 O ATOM 909 CB ARG A 68 47.681 9.973 -8.310 1.00 0.00 C ATOM 910 CG ARG A 68 48.058 9.488 -9.711 1.00 0.00 C ATOM 911 CD ARG A 68 46.874 8.794 -10.387 1.00 0.00 C ATOM 912 NE ARG A 68 47.098 7.331 -10.425 1.00 0.00 N ATOM 913 CZ ARG A 68 46.478 6.492 -11.282 1.00 0.00 C ATOM 914 NH1 ARG A 68 45.589 6.965 -12.181 1.00 0.00 N ATOM 915 NH2 ARG A 68 46.755 5.203 -11.227 1.00 0.00 N ATOM 0 H ARG A 68 45.705 9.473 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 68 47.669 7.872 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 68 46.707 10.461 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 68 48.401 10.719 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 68 48.383 10.333 -10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 48.900 8.799 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 68 45.955 9.015 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 68 46.747 9.177 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 68 47.763 6.932 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 68 45.381 7.963 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 68 45.125 6.324 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 68 47.428 4.855 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 68 46.296 4.555 -11.867 1.00 0.00 H new ATOM 928 N GLY A 69 50.013 8.562 -6.956 1.00 0.00 N ATOM 929 CA GLY A 69 51.252 8.596 -6.198 1.00 0.00 C ATOM 930 C GLY A 69 51.705 10.037 -5.953 1.00 0.00 C ATOM 931 O GLY A 69 51.123 10.743 -5.132 1.00 0.00 O ATOM 0 H GLY A 69 50.115 8.268 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 69 51.113 8.087 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 69 52.028 8.054 -6.738 1.00 0.00 H new ATOM 935 N ALA A 70 52.740 10.430 -6.681 1.00 0.00 N ATOM 936 CA ALA A 70 53.277 11.774 -6.553 1.00 0.00 C ATOM 937 C ALA A 70 54.315 12.010 -7.653 1.00 0.00 C ATOM 938 O ALA A 70 55.502 12.165 -7.368 1.00 0.00 O ATOM 939 CB ALA A 70 53.861 11.959 -5.151 1.00 0.00 C ATOM 0 H ALA A 70 53.221 9.841 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 70 52.489 12.516 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 70 54.264 12.967 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 70 53.078 11.809 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 70 54.658 11.233 -4.990 1.00 0.00 H new ATOM 945 N TYR A 71 53.830 12.030 -8.886 1.00 0.00 N ATOM 946 CA TYR A 71 54.701 12.245 -10.029 1.00 0.00 C ATOM 947 C TYR A 71 55.725 13.344 -9.739 1.00 0.00 C ATOM 948 O TYR A 71 55.479 14.226 -8.918 1.00 0.00 O ATOM 949 CB TYR A 71 53.792 12.700 -11.172 1.00 0.00 C ATOM 950 CG TYR A 71 53.402 14.178 -11.107 1.00 0.00 C ATOM 951 CD1 TYR A 71 52.487 14.610 -10.169 1.00 0.00 C ATOM 952 CD2 TYR A 71 53.966 15.079 -11.987 1.00 0.00 C ATOM 953 CE1 TYR A 71 52.121 16.001 -10.108 1.00 0.00 C ATOM 954 CE2 TYR A 71 53.600 16.470 -11.926 1.00 0.00 C ATOM 955 CZ TYR A 71 52.695 16.863 -10.989 1.00 0.00 C ATOM 956 OH TYR A 71 52.349 18.177 -10.931 1.00 0.00 O ATOM 0 H TYR A 71 52.845 11.901 -9.118 1.00 0.00 H new ATOM 0 HA TYR A 71 55.251 11.335 -10.269 1.00 0.00 H new ATOM 0 HB2 TYR A 71 54.295 12.509 -12.120 1.00 0.00 H new ATOM 0 HB3 TYR A 71 52.885 12.095 -11.164 1.00 0.00 H new ATOM 0 HD1 TYR A 71 52.045 13.905 -9.481 1.00 0.00 H new ATOM 0 HD2 TYR A 71 54.682 14.741 -12.721 1.00 0.00 H new ATOM 0 HE1 TYR A 71 51.406 16.352 -9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 71 54.034 17.186 -12.609 1.00 0.00 H new ATOM 0 HH TYR A 71 52.838 18.675 -11.619 1.00 0.00 H new ATOM 966 N SER A 72 56.852 13.256 -10.430 1.00 0.00 N ATOM 967 CA SER A 72 57.914 14.232 -10.258 1.00 0.00 C ATOM 968 C SER A 72 58.425 14.201 -8.816 1.00 0.00 C ATOM 969 O SER A 72 57.718 13.755 -7.913 1.00 0.00 O ATOM 970 CB SER A 72 57.434 15.639 -10.620 1.00 0.00 C ATOM 971 OG SER A 72 56.752 15.664 -11.871 1.00 0.00 O ATOM 0 H SER A 72 57.053 12.523 -11.111 1.00 0.00 H new ATOM 0 HA SER A 72 58.730 13.971 -10.932 1.00 0.00 H new ATOM 0 HB2 SER A 72 56.771 16.008 -9.838 1.00 0.00 H new ATOM 0 HB3 SER A 72 58.288 16.315 -10.659 1.00 0.00 H new ATOM 0 HG SER A 72 55.800 15.842 -11.721 1.00 0.00 H new ATOM 977 N SER A 73 59.648 14.681 -8.644 1.00 0.00 N ATOM 978 CA SER A 73 60.261 14.713 -7.327 1.00 0.00 C ATOM 979 C SER A 73 61.487 15.627 -7.343 1.00 0.00 C ATOM 980 O SER A 73 62.580 15.200 -7.713 1.00 0.00 O ATOM 981 CB SER A 73 60.652 13.307 -6.867 1.00 0.00 C ATOM 982 OG SER A 73 60.723 13.211 -5.447 1.00 0.00 O ATOM 0 H SER A 73 60.231 15.051 -9.395 1.00 0.00 H new ATOM 0 HA SER A 73 59.532 15.107 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 73 59.925 12.587 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 73 61.617 13.040 -7.297 1.00 0.00 H new ATOM 0 HG SER A 73 60.974 12.298 -5.193 1.00 0.00 H new ATOM 988 N HIS A 74 61.266 16.869 -6.937 1.00 0.00 N ATOM 989 CA HIS A 74 62.340 17.847 -6.901 1.00 0.00 C ATOM 990 C HIS A 74 63.342 17.468 -5.809 1.00 0.00 C ATOM 991 O HIS A 74 62.984 17.382 -4.635 1.00 0.00 O ATOM 992 CB HIS A 74 61.781 19.261 -6.728 1.00 0.00 C ATOM 993 CG HIS A 74 61.338 19.578 -5.319 1.00 0.00 C ATOM 994 ND1 HIS A 74 61.970 20.522 -4.529 1.00 0.00 N ATOM 995 CD2 HIS A 74 60.320 19.067 -4.569 1.00 0.00 C ATOM 996 CE1 HIS A 74 61.352 20.569 -3.358 1.00 0.00 C ATOM 997 NE2 HIS A 74 60.330 19.666 -3.385 1.00 0.00 N ATOM 0 H HIS A 74 60.359 17.220 -6.630 1.00 0.00 H new ATOM 0 HA HIS A 74 62.873 17.843 -7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 74 62.542 19.981 -7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 74 60.934 19.391 -7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 74 59.624 18.304 -4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 74 61.612 21.210 -2.528 1.00 0.00 H new ATOM 0 HE2 HIS A 74 59.680 19.482 -2.621 1.00 0.00 H new ATOM 1005 N ASP A 75 64.578 17.251 -6.234 1.00 0.00 N ATOM 1006 CA ASP A 75 65.635 16.883 -5.308 1.00 0.00 C ATOM 1007 C ASP A 75 66.335 18.149 -4.810 1.00 0.00 C ATOM 1008 O ASP A 75 67.083 18.106 -3.835 1.00 0.00 O ATOM 1009 CB ASP A 75 66.683 16.001 -5.990 1.00 0.00 C ATOM 1010 CG ASP A 75 67.981 15.812 -5.202 1.00 0.00 C ATOM 1011 OD1 ASP A 75 67.961 15.604 -3.979 1.00 0.00 O ATOM 1012 OD2 ASP A 75 69.061 15.887 -5.904 1.00 0.00 O ATOM 0 H ASP A 75 64.871 17.323 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 75 65.183 16.333 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 75 66.244 15.021 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 75 66.925 16.434 -6.961 1.00 0.00 H new TER 1018 ASP A 75