USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 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 Set 1.1: A 95 THR OG1 : rot -3:sc= 1.08 USER MOD Set 1.2: A 98 SER OG : rot -0:sc= 2.65 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.21 (180deg=1.08) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 5 SER OG : rot 41:sc= 0.0372 USER MOD Single : A 6 MET CE :methyl -134:sc= -0.386 (180deg=-1.65) USER MOD Single : A 9 ASN : amide:sc=-0.00802 K(o=-0.008,f=-0.7) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0.943 (180deg=0.634) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -169:sc= -1.66! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : A 30 ASN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-5.5!) USER MOD Single : A 51 HIS : no HD1:sc= 0.44 K(o=0.44,f=-4.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 78:sc= 1.08 USER MOD Single : A 61 SER OG : rot 140:sc= -0.0182 USER MOD Single : A 63 MET CE :methyl 157:sc= -0.268 (180deg=-0.939) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -74:sc= 0.35 USER MOD Single : A 81 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.86) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.151 (180deg=-0.771) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.12) USER MOD Single : A 94 ASN : amide:sc=-0.00906 X(o=-0.0091,f=-0.086) USER MOD Single : A 100 SER OG : rot -90:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.918 12.496 16.043 1.00 0.00 N ATOM 2 CA MET A 1 -15.889 13.391 16.709 1.00 0.00 C ATOM 3 C MET A 1 -15.161 14.524 17.412 1.00 0.00 C ATOM 4 O MET A 1 -14.650 14.359 18.522 1.00 0.00 O ATOM 5 CB MET A 1 -16.735 12.615 17.722 1.00 0.00 C ATOM 6 CG MET A 1 -17.647 11.580 17.093 1.00 0.00 C ATOM 7 SD MET A 1 -18.577 10.642 18.318 1.00 0.00 S ATOM 8 CE MET A 1 -19.574 9.606 17.252 1.00 0.00 C ATOM 0 H1 MET A 1 -15.358 12.072 15.201 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.081 13.043 15.758 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.632 11.743 16.701 1.00 0.00 H new ATOM 0 HA MET A 1 -16.549 13.805 15.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.072 12.119 18.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.340 13.320 18.292 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.342 12.077 16.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.051 10.894 16.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.209 8.962 17.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.197 10.233 16.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.923 8.991 16.631 1.00 0.00 H new ATOM 20 N GLU A 2 -15.095 15.667 16.750 1.00 0.00 N ATOM 21 CA GLU A 2 -14.405 16.824 17.290 1.00 0.00 C ATOM 22 C GLU A 2 -15.402 17.961 17.480 1.00 0.00 C ATOM 23 O GLU A 2 -16.582 17.816 17.149 1.00 0.00 O ATOM 24 CB GLU A 2 -13.277 17.280 16.348 1.00 0.00 C ATOM 25 CG GLU A 2 -12.368 16.162 15.838 1.00 0.00 C ATOM 26 CD GLU A 2 -12.954 15.405 14.653 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.030 15.983 13.546 1.00 0.00 O ATOM 28 OE2 GLU A 2 -13.329 14.223 14.819 1.00 0.00 O ATOM 0 H GLU A 2 -15.514 15.818 15.832 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.963 16.551 18.248 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.722 17.785 15.491 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.665 18.016 16.869 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.407 16.587 15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.176 15.460 16.650 1.00 0.00 H new ATOM 35 N VAL A 3 -14.939 19.084 18.015 1.00 0.00 N ATOM 36 CA VAL A 3 -15.762 20.283 18.079 1.00 0.00 C ATOM 37 C VAL A 3 -15.990 20.791 16.663 1.00 0.00 C ATOM 38 O VAL A 3 -17.118 21.079 16.259 1.00 0.00 O ATOM 39 CB VAL A 3 -15.108 21.387 18.942 1.00 0.00 C ATOM 40 CG1 VAL A 3 -15.918 22.675 18.890 1.00 0.00 C ATOM 41 CG2 VAL A 3 -14.958 20.915 20.379 1.00 0.00 C ATOM 0 H VAL A 3 -14.004 19.189 18.408 1.00 0.00 H new ATOM 0 HA VAL A 3 -16.711 20.029 18.551 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.119 21.593 18.534 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -15.435 23.434 19.506 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.976 23.027 17.860 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -16.923 22.488 19.267 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.496 21.703 20.974 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.940 20.679 20.789 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.330 20.025 20.406 1.00 0.00 H new ATOM 51 N GLN A 4 -14.907 20.865 15.905 1.00 0.00 N ATOM 52 CA GLN A 4 -14.983 21.158 14.486 1.00 0.00 C ATOM 53 C GLN A 4 -14.937 19.847 13.707 1.00 0.00 C ATOM 54 O GLN A 4 -15.099 18.772 14.287 1.00 0.00 O ATOM 55 CB GLN A 4 -13.843 22.092 14.069 1.00 0.00 C ATOM 56 CG GLN A 4 -13.935 23.472 14.706 1.00 0.00 C ATOM 57 CD GLN A 4 -12.815 24.402 14.279 1.00 0.00 C ATOM 58 OE1 GLN A 4 -11.699 23.969 13.996 1.00 0.00 O ATOM 59 NE2 GLN A 4 -13.107 25.689 14.231 1.00 0.00 N ATOM 0 H GLN A 4 -13.959 20.725 16.254 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.920 21.669 14.265 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.891 21.636 14.341 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.848 22.199 12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.892 23.923 14.445 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.918 23.366 15.791 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.045 26.009 14.473 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.395 26.363 13.951 1.00 0.00 H new ATOM 68 N SER A 5 -14.738 19.919 12.406 1.00 0.00 N ATOM 69 CA SER A 5 -14.695 18.715 11.595 1.00 0.00 C ATOM 70 C SER A 5 -13.397 18.632 10.800 1.00 0.00 C ATOM 71 O SER A 5 -13.079 19.525 10.010 1.00 0.00 O ATOM 72 CB SER A 5 -15.910 18.666 10.666 1.00 0.00 C ATOM 73 OG SER A 5 -16.100 19.905 9.997 1.00 0.00 O ATOM 0 H SER A 5 -14.604 20.789 11.890 1.00 0.00 H new ATOM 0 HA SER A 5 -14.727 17.851 12.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.777 17.871 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.802 18.422 11.243 1.00 0.00 H new ATOM 0 HG SER A 5 -15.232 20.259 9.711 1.00 0.00 H new ATOM 79 N MET A 6 -12.633 17.575 11.039 1.00 0.00 N ATOM 80 CA MET A 6 -11.420 17.326 10.272 1.00 0.00 C ATOM 81 C MET A 6 -11.778 16.796 8.890 1.00 0.00 C ATOM 82 O MET A 6 -12.832 16.181 8.706 1.00 0.00 O ATOM 83 CB MET A 6 -10.515 16.325 10.993 1.00 0.00 C ATOM 84 CG MET A 6 -10.059 16.790 12.366 1.00 0.00 C ATOM 85 SD MET A 6 -8.909 15.638 13.148 1.00 0.00 S ATOM 86 CE MET A 6 -9.903 14.149 13.218 1.00 0.00 C ATOM 0 H MET A 6 -12.831 16.877 11.756 1.00 0.00 H new ATOM 0 HA MET A 6 -10.880 18.268 10.170 1.00 0.00 H new ATOM 0 HB2 MET A 6 -11.046 15.379 11.098 1.00 0.00 H new ATOM 0 HB3 MET A 6 -9.638 16.132 10.375 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.583 17.766 12.274 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.930 16.919 13.009 1.00 0.00 H new ATOM 0 HE1 MET A 6 -9.816 13.699 14.207 1.00 0.00 H new ATOM 0 HE2 MET A 6 -10.946 14.398 13.023 1.00 0.00 H new ATOM 0 HE3 MET A 6 -9.553 13.442 12.466 1.00 0.00 H new ATOM 96 N LEU A 7 -10.909 17.039 7.922 1.00 0.00 N ATOM 97 CA LEU A 7 -11.142 16.591 6.556 1.00 0.00 C ATOM 98 C LEU A 7 -10.552 15.203 6.346 1.00 0.00 C ATOM 99 O LEU A 7 -10.937 14.484 5.427 1.00 0.00 O ATOM 100 CB LEU A 7 -10.533 17.580 5.557 1.00 0.00 C ATOM 101 CG LEU A 7 -11.065 19.012 5.652 1.00 0.00 C ATOM 102 CD1 LEU A 7 -10.360 19.910 4.645 1.00 0.00 C ATOM 103 CD2 LEU A 7 -12.571 19.043 5.431 1.00 0.00 C ATOM 0 H LEU A 7 -10.034 17.545 8.056 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.218 16.544 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.453 17.600 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.712 17.209 4.548 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.859 19.387 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.750 20.924 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.289 19.916 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.535 19.534 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.928 20.070 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.802 18.647 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.063 18.434 6.190 1.00 0.00 H new ATOM 115 N LEU A 8 -9.613 14.838 7.208 1.00 0.00 N ATOM 116 CA LEU A 8 -8.984 13.527 7.141 1.00 0.00 C ATOM 117 C LEU A 8 -9.923 12.460 7.689 1.00 0.00 C ATOM 118 O LEU A 8 -10.130 12.363 8.899 1.00 0.00 O ATOM 119 CB LEU A 8 -7.668 13.524 7.925 1.00 0.00 C ATOM 120 CG LEU A 8 -6.604 14.508 7.429 1.00 0.00 C ATOM 121 CD1 LEU A 8 -5.370 14.447 8.315 1.00 0.00 C ATOM 122 CD2 LEU A 8 -6.235 14.214 5.982 1.00 0.00 C ATOM 0 H LEU A 8 -9.270 15.432 7.963 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.768 13.301 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.887 13.748 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.250 12.518 7.895 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.017 15.515 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.624 15.152 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.643 14.706 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.957 13.439 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.478 14.924 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.841 13.201 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.121 14.307 5.354 1.00 0.00 H new ATOM 134 N ASN A 9 -10.505 11.678 6.794 1.00 0.00 N ATOM 135 CA ASN A 9 -11.429 10.626 7.193 1.00 0.00 C ATOM 136 C ASN A 9 -10.666 9.374 7.598 1.00 0.00 C ATOM 137 O ASN A 9 -9.824 8.879 6.846 1.00 0.00 O ATOM 138 CB ASN A 9 -12.398 10.294 6.054 1.00 0.00 C ATOM 139 CG ASN A 9 -13.479 9.310 6.472 1.00 0.00 C ATOM 140 OD1 ASN A 9 -13.887 9.266 7.634 1.00 0.00 O ATOM 141 ND2 ASN A 9 -13.960 8.521 5.522 1.00 0.00 N ATOM 0 H ASN A 9 -10.355 11.751 5.788 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.002 10.987 8.047 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.866 11.213 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.839 9.879 5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.694 7.847 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.596 8.587 4.571 1.00 0.00 H new ATOM 148 N ASP A 10 -10.952 8.875 8.792 1.00 0.00 N ATOM 149 CA ASP A 10 -10.344 7.638 9.268 1.00 0.00 C ATOM 150 C ASP A 10 -10.960 6.445 8.555 1.00 0.00 C ATOM 151 O ASP A 10 -12.012 5.936 8.949 1.00 0.00 O ATOM 152 CB ASP A 10 -10.501 7.498 10.787 1.00 0.00 C ATOM 153 CG ASP A 10 -10.091 6.126 11.304 1.00 0.00 C ATOM 154 OD1 ASP A 10 -8.899 5.767 11.200 1.00 0.00 O ATOM 155 OD2 ASP A 10 -10.961 5.408 11.851 1.00 0.00 O ATOM 0 H ASP A 10 -11.601 9.307 9.450 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.278 7.670 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.899 8.261 11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.540 7.687 11.058 1.00 0.00 H new ATOM 160 N VAL A 11 -10.326 6.035 7.472 1.00 0.00 N ATOM 161 CA VAL A 11 -10.774 4.877 6.726 1.00 0.00 C ATOM 162 C VAL A 11 -9.937 3.665 7.108 1.00 0.00 C ATOM 163 O VAL A 11 -8.842 3.449 6.578 1.00 0.00 O ATOM 164 CB VAL A 11 -10.704 5.107 5.200 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.285 3.922 4.444 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.430 6.386 4.818 1.00 0.00 C ATOM 0 H VAL A 11 -9.497 6.489 7.090 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.819 4.702 6.982 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.655 5.207 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.224 4.109 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.720 3.022 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.328 3.784 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.369 6.530 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.476 6.314 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.966 7.233 5.324 1.00 0.00 H new ATOM 176 N LYS A 12 -10.436 2.904 8.067 1.00 0.00 N ATOM 177 CA LYS A 12 -9.762 1.698 8.507 1.00 0.00 C ATOM 178 C LYS A 12 -10.106 0.530 7.595 1.00 0.00 C ATOM 179 O LYS A 12 -11.120 0.553 6.896 1.00 0.00 O ATOM 180 CB LYS A 12 -10.123 1.373 9.955 1.00 0.00 C ATOM 181 CG LYS A 12 -9.438 2.282 10.962 1.00 0.00 C ATOM 182 CD LYS A 12 -9.805 1.911 12.388 1.00 0.00 C ATOM 183 CE LYS A 12 -8.910 2.612 13.397 1.00 0.00 C ATOM 184 NZ LYS A 12 -9.019 4.095 13.326 1.00 0.00 N ATOM 0 H LYS A 12 -11.309 3.102 8.556 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.687 1.870 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.203 1.452 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.853 0.338 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.357 2.218 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.721 3.317 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.845 2.176 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.723 0.832 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.172 2.280 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.875 2.319 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.677 4.511 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.444 4.448 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.013 4.363 13.178 1.00 0.00 H new ATOM 198 N TRP A 13 -9.264 -0.487 7.611 1.00 0.00 N ATOM 199 CA TRP A 13 -9.428 -1.618 6.726 1.00 0.00 C ATOM 200 C TRP A 13 -10.073 -2.785 7.441 1.00 0.00 C ATOM 201 O TRP A 13 -9.604 -3.233 8.485 1.00 0.00 O ATOM 202 CB TRP A 13 -8.090 -2.045 6.130 1.00 0.00 C ATOM 203 CG TRP A 13 -8.018 -1.789 4.663 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.058 -1.849 3.785 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.860 -1.442 3.896 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.629 -1.550 2.522 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.280 -1.297 2.559 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.513 -1.235 4.206 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.397 -0.957 1.536 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.639 -0.897 3.190 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.084 -0.760 1.868 1.00 0.00 C ATOM 0 H TRP A 13 -8.457 -0.550 8.232 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.086 -1.304 5.916 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.284 -1.509 6.630 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.932 -3.107 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.075 -2.097 4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.215 -1.520 1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.161 -1.337 5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.737 -0.853 0.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.596 -0.736 3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.377 -0.494 1.096 1.00 0.00 H new ATOM 222 N GLU A 14 -11.157 -3.271 6.865 1.00 0.00 N ATOM 223 CA GLU A 14 -11.853 -4.424 7.407 1.00 0.00 C ATOM 224 C GLU A 14 -11.267 -5.691 6.807 1.00 0.00 C ATOM 225 O GLU A 14 -11.424 -6.788 7.341 1.00 0.00 O ATOM 226 CB GLU A 14 -13.348 -4.315 7.118 1.00 0.00 C ATOM 227 CG GLU A 14 -13.962 -3.045 7.680 1.00 0.00 C ATOM 228 CD GLU A 14 -15.428 -2.902 7.347 1.00 0.00 C ATOM 229 OE1 GLU A 14 -15.747 -2.348 6.278 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.271 -3.332 8.160 1.00 0.00 O ATOM 0 H GLU A 14 -11.576 -2.884 6.019 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.724 -4.460 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.509 -4.345 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.860 -5.179 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.838 -3.036 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.421 -2.183 7.291 1.00 0.00 H new ATOM 237 N LYS A 15 -10.588 -5.510 5.682 1.00 0.00 N ATOM 238 CA LYS A 15 -9.840 -6.575 5.037 1.00 0.00 C ATOM 239 C LYS A 15 -8.420 -6.081 4.775 1.00 0.00 C ATOM 240 O LYS A 15 -8.140 -5.510 3.721 1.00 0.00 O ATOM 241 CB LYS A 15 -10.508 -7.001 3.723 1.00 0.00 C ATOM 242 CG LYS A 15 -11.942 -7.480 3.887 1.00 0.00 C ATOM 243 CD LYS A 15 -12.030 -8.694 4.797 1.00 0.00 C ATOM 244 CE LYS A 15 -13.474 -9.081 5.065 1.00 0.00 C ATOM 245 NZ LYS A 15 -13.578 -10.219 6.013 1.00 0.00 N ATOM 0 H LYS A 15 -10.542 -4.617 5.192 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.818 -7.447 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.493 -6.160 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.919 -7.798 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.550 -6.674 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.357 -7.727 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.506 -9.533 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.528 -8.481 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.010 -8.222 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.959 -9.346 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.580 -10.451 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.088 -11.047 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.139 -9.958 6.919 1.00 0.00 H new ATOM 259 N PRO A 16 -7.524 -6.268 5.755 1.00 0.00 N ATOM 260 CA PRO A 16 -6.168 -5.703 5.730 1.00 0.00 C ATOM 261 C PRO A 16 -5.273 -6.304 4.649 1.00 0.00 C ATOM 262 O PRO A 16 -5.632 -7.281 3.993 1.00 0.00 O ATOM 263 CB PRO A 16 -5.606 -6.041 7.118 1.00 0.00 C ATOM 264 CG PRO A 16 -6.780 -6.450 7.938 1.00 0.00 C ATOM 265 CD PRO A 16 -7.758 -7.051 6.975 1.00 0.00 C ATOM 0 HA PRO A 16 -6.199 -4.637 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.871 -6.844 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.102 -5.180 7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.491 -7.170 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.214 -5.594 8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.572 -8.113 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.785 -6.956 7.327 1.00 0.00 H new ATOM 273 N VAL A 17 -4.106 -5.699 4.471 1.00 0.00 N ATOM 274 CA VAL A 17 -3.119 -6.192 3.523 1.00 0.00 C ATOM 275 C VAL A 17 -1.808 -6.482 4.250 1.00 0.00 C ATOM 276 O VAL A 17 -1.378 -5.696 5.100 1.00 0.00 O ATOM 277 CB VAL A 17 -2.862 -5.179 2.382 1.00 0.00 C ATOM 278 CG1 VAL A 17 -1.865 -5.736 1.376 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.165 -4.802 1.690 1.00 0.00 C ATOM 0 H VAL A 17 -3.820 -4.860 4.975 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.513 -7.106 3.079 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.435 -4.278 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.701 -5.006 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.920 -5.945 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.259 -6.656 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.960 -4.089 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.625 -5.696 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.844 -4.351 2.414 1.00 0.00 H new ATOM 289 N THR A 18 -1.191 -7.611 3.928 1.00 0.00 N ATOM 290 CA THR A 18 0.040 -8.023 4.581 1.00 0.00 C ATOM 291 C THR A 18 1.265 -7.632 3.753 1.00 0.00 C ATOM 292 O THR A 18 1.560 -8.257 2.732 1.00 0.00 O ATOM 293 CB THR A 18 0.054 -9.549 4.805 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.210 -9.977 5.327 1.00 0.00 O ATOM 295 CG2 THR A 18 1.160 -9.949 5.769 1.00 0.00 C ATOM 0 H THR A 18 -1.526 -8.259 3.215 1.00 0.00 H new ATOM 0 HA THR A 18 0.082 -7.511 5.542 1.00 0.00 H new ATOM 0 HB THR A 18 0.239 -10.030 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.141 -10.907 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.147 -11.030 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.125 -9.647 5.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.002 -9.457 6.729 1.00 0.00 H new ATOM 303 N ILE A 19 1.964 -6.592 4.187 1.00 0.00 N ATOM 304 CA ILE A 19 3.207 -6.186 3.541 1.00 0.00 C ATOM 305 C ILE A 19 4.399 -6.694 4.342 1.00 0.00 C ATOM 306 O ILE A 19 4.581 -6.322 5.501 1.00 0.00 O ATOM 307 CB ILE A 19 3.303 -4.648 3.391 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.271 -4.138 2.380 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.707 -4.226 2.970 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.499 -4.636 0.968 1.00 0.00 C ATOM 0 H ILE A 19 1.693 -6.014 4.983 1.00 0.00 H new ATOM 0 HA ILE A 19 3.216 -6.623 2.542 1.00 0.00 H new ATOM 0 HB ILE A 19 3.089 -4.203 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.276 -4.442 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.287 -3.048 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.747 -3.141 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.425 -4.549 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.954 -4.686 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.729 -4.232 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.479 -4.310 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.453 -5.725 0.954 1.00 0.00 H new ATOM 322 N SER A 20 5.195 -7.557 3.734 1.00 0.00 N ATOM 323 CA SER A 20 6.367 -8.099 4.400 1.00 0.00 C ATOM 324 C SER A 20 7.565 -7.191 4.147 1.00 0.00 C ATOM 325 O SER A 20 7.913 -6.913 2.999 1.00 0.00 O ATOM 326 CB SER A 20 6.654 -9.519 3.905 1.00 0.00 C ATOM 327 OG SER A 20 7.556 -10.193 4.766 1.00 0.00 O ATOM 0 H SER A 20 5.052 -7.897 2.783 1.00 0.00 H new ATOM 0 HA SER A 20 6.178 -8.146 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.721 -10.080 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.071 -9.478 2.899 1.00 0.00 H new ATOM 0 HG SER A 20 7.719 -11.097 4.426 1.00 0.00 H new ATOM 333 N LEU A 21 8.171 -6.703 5.220 1.00 0.00 N ATOM 334 CA LEU A 21 9.297 -5.789 5.104 1.00 0.00 C ATOM 335 C LEU A 21 10.612 -6.552 4.985 1.00 0.00 C ATOM 336 O LEU A 21 10.657 -7.761 5.213 1.00 0.00 O ATOM 337 CB LEU A 21 9.330 -4.832 6.296 1.00 0.00 C ATOM 338 CG LEU A 21 8.049 -4.023 6.502 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.202 -3.051 7.662 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.684 -3.280 5.228 1.00 0.00 C ATOM 0 H LEU A 21 7.902 -6.924 6.179 1.00 0.00 H new ATOM 0 HA LEU A 21 9.169 -5.203 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.530 -5.407 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.163 -4.141 6.167 1.00 0.00 H new ATOM 0 HG LEU A 21 7.243 -4.715 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.278 -2.487 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.417 -3.606 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.021 -2.363 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.770 -2.708 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.493 -2.602 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.526 -3.996 4.422 1.00 0.00 H new ATOM 352 N GLN A 22 11.680 -5.825 4.658 1.00 0.00 N ATOM 353 CA GLN A 22 12.979 -6.423 4.334 1.00 0.00 C ATOM 354 C GLN A 22 13.513 -7.310 5.460 1.00 0.00 C ATOM 355 O GLN A 22 14.093 -8.364 5.204 1.00 0.00 O ATOM 356 CB GLN A 22 13.989 -5.316 4.015 1.00 0.00 C ATOM 357 CG GLN A 22 15.378 -5.825 3.659 1.00 0.00 C ATOM 358 CD GLN A 22 16.326 -4.705 3.284 1.00 0.00 C ATOM 359 OE1 GLN A 22 16.431 -4.328 2.118 1.00 0.00 O ATOM 360 NE2 GLN A 22 17.028 -4.167 4.268 1.00 0.00 N ATOM 0 H GLN A 22 11.671 -4.806 4.610 1.00 0.00 H new ATOM 0 HA GLN A 22 12.837 -7.063 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.609 -4.720 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.067 -4.651 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.788 -6.376 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.303 -6.527 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.912 -4.508 5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.685 -3.412 4.072 1.00 0.00 H new ATOM 369 N ASN A 23 13.316 -6.885 6.698 1.00 0.00 N ATOM 370 CA ASN A 23 13.801 -7.635 7.853 1.00 0.00 C ATOM 371 C ASN A 23 13.012 -8.932 8.051 1.00 0.00 C ATOM 372 O ASN A 23 13.471 -9.854 8.727 1.00 0.00 O ATOM 373 CB ASN A 23 13.734 -6.756 9.109 1.00 0.00 C ATOM 374 CG ASN A 23 14.043 -7.516 10.386 1.00 0.00 C ATOM 375 OD1 ASN A 23 15.205 -7.722 10.739 1.00 0.00 O ATOM 376 ND2 ASN A 23 13.003 -7.921 11.099 1.00 0.00 N ATOM 0 H ASN A 23 12.823 -6.023 6.932 1.00 0.00 H new ATOM 0 HA ASN A 23 14.839 -7.914 7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.438 -5.931 9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.739 -6.318 9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.149 -8.423 11.975 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.056 -7.731 10.772 1.00 0.00 H new ATOM 383 N GLY A 24 11.845 -9.015 7.431 1.00 0.00 N ATOM 384 CA GLY A 24 10.995 -10.178 7.604 1.00 0.00 C ATOM 385 C GLY A 24 9.865 -9.909 8.574 1.00 0.00 C ATOM 386 O GLY A 24 9.497 -10.770 9.376 1.00 0.00 O ATOM 0 H GLY A 24 11.469 -8.298 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.583 -10.474 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.593 -11.015 7.965 1.00 0.00 H new ATOM 390 N ALA A 25 9.319 -8.707 8.503 1.00 0.00 N ATOM 391 CA ALA A 25 8.242 -8.303 9.389 1.00 0.00 C ATOM 392 C ALA A 25 6.972 -8.026 8.598 1.00 0.00 C ATOM 393 O ALA A 25 6.932 -7.109 7.776 1.00 0.00 O ATOM 394 CB ALA A 25 8.649 -7.074 10.188 1.00 0.00 C ATOM 0 H ALA A 25 9.606 -7.990 7.836 1.00 0.00 H new ATOM 0 HA ALA A 25 8.042 -9.119 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.832 -6.782 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.533 -7.303 10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.874 -6.255 9.506 1.00 0.00 H new ATOM 400 N PRO A 26 5.929 -8.838 8.811 1.00 0.00 N ATOM 401 CA PRO A 26 4.634 -8.654 8.163 1.00 0.00 C ATOM 402 C PRO A 26 3.852 -7.498 8.780 1.00 0.00 C ATOM 403 O PRO A 26 3.327 -7.607 9.889 1.00 0.00 O ATOM 404 CB PRO A 26 3.905 -9.988 8.403 1.00 0.00 C ATOM 405 CG PRO A 26 4.916 -10.901 9.021 1.00 0.00 C ATOM 406 CD PRO A 26 5.928 -10.014 9.685 1.00 0.00 C ATOM 0 HA PRO A 26 4.738 -8.406 7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.047 -9.852 9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.526 -10.400 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.448 -11.568 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.386 -11.531 8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.641 -9.762 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.910 -10.484 9.736 1.00 0.00 H new ATOM 414 N ARG A 27 3.802 -6.385 8.066 1.00 0.00 N ATOM 415 CA ARG A 27 3.066 -5.219 8.521 1.00 0.00 C ATOM 416 C ARG A 27 1.624 -5.298 8.046 1.00 0.00 C ATOM 417 O ARG A 27 1.331 -5.104 6.864 1.00 0.00 O ATOM 418 CB ARG A 27 3.739 -3.934 8.016 1.00 0.00 C ATOM 419 CG ARG A 27 3.017 -2.644 8.397 1.00 0.00 C ATOM 420 CD ARG A 27 2.752 -2.554 9.893 1.00 0.00 C ATOM 421 NE ARG A 27 2.448 -1.186 10.322 1.00 0.00 N ATOM 422 CZ ARG A 27 1.223 -0.723 10.596 1.00 0.00 C ATOM 423 NH1 ARG A 27 0.151 -1.487 10.430 1.00 0.00 N ATOM 424 NH2 ARG A 27 1.075 0.522 11.030 1.00 0.00 N ATOM 0 H ARG A 27 4.265 -6.265 7.165 1.00 0.00 H new ATOM 0 HA ARG A 27 3.070 -5.198 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.756 -3.895 8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.817 -3.984 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.615 -1.789 8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.071 -2.586 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.919 -3.207 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.624 -2.918 10.437 1.00 0.00 H new ATOM 0 HE ARG A 27 3.230 -0.538 10.419 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.254 -2.443 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.776 -1.119 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.892 1.120 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.144 0.881 11.241 1.00 0.00 H new ATOM 438 N ILE A 28 0.735 -5.617 8.971 1.00 0.00 N ATOM 439 CA ILE A 28 -0.684 -5.694 8.677 1.00 0.00 C ATOM 440 C ILE A 28 -1.306 -4.316 8.825 1.00 0.00 C ATOM 441 O ILE A 28 -1.321 -3.749 9.917 1.00 0.00 O ATOM 442 CB ILE A 28 -1.402 -6.684 9.619 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.738 -8.062 9.549 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.878 -6.783 9.264 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.312 -9.061 10.532 1.00 0.00 C ATOM 0 H ILE A 28 0.975 -5.828 9.940 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.800 -6.052 7.654 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.320 -6.312 10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.844 -8.457 8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.330 -7.952 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.368 -7.485 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.342 -5.802 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.983 -7.133 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.794 -10.014 10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.182 -8.688 11.548 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.374 -9.201 10.330 1.00 0.00 H new ATOM 457 N PHE A 29 -1.783 -3.762 7.725 1.00 0.00 N ATOM 458 CA PHE A 29 -2.363 -2.427 7.747 1.00 0.00 C ATOM 459 C PHE A 29 -3.819 -2.472 8.183 1.00 0.00 C ATOM 460 O PHE A 29 -4.665 -3.066 7.518 1.00 0.00 O ATOM 461 CB PHE A 29 -2.220 -1.757 6.383 1.00 0.00 C ATOM 462 CG PHE A 29 -0.787 -1.501 6.025 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.096 -0.453 6.607 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.125 -2.319 5.128 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.229 -0.224 6.301 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.202 -2.097 4.819 1.00 0.00 C ATOM 467 CZ PHE A 29 1.878 -1.048 5.405 1.00 0.00 C ATOM 0 H PHE A 29 -1.782 -4.211 6.809 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.816 -1.831 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.676 -2.388 5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.766 -0.814 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.601 0.194 7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.652 -3.140 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.757 0.598 6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.710 -2.744 4.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.916 -0.871 5.163 1.00 0.00 H new ATOM 477 N ASN A 30 -4.089 -1.820 9.303 1.00 0.00 N ATOM 478 CA ASN A 30 -5.411 -1.831 9.916 1.00 0.00 C ATOM 479 C ASN A 30 -6.269 -0.728 9.323 1.00 0.00 C ATOM 480 O ASN A 30 -7.451 -0.603 9.634 1.00 0.00 O ATOM 481 CB ASN A 30 -5.297 -1.627 11.431 1.00 0.00 C ATOM 482 CG ASN A 30 -4.263 -2.532 12.073 1.00 0.00 C ATOM 483 OD1 ASN A 30 -4.565 -3.645 12.502 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.027 -2.054 12.143 1.00 0.00 N ATOM 0 H ASN A 30 -3.400 -1.268 9.814 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.875 -2.797 9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.039 -0.588 11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.268 -1.810 11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.286 -2.615 12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.818 -1.126 11.775 1.00 0.00 H new ATOM 491 N GLY A 31 -5.657 0.082 8.476 1.00 0.00 N ATOM 492 CA GLY A 31 -6.368 1.166 7.842 1.00 0.00 C ATOM 493 C GLY A 31 -5.625 1.693 6.638 1.00 0.00 C ATOM 494 O GLY A 31 -4.411 1.512 6.527 1.00 0.00 O ATOM 0 H GLY A 31 -4.674 0.006 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.357 0.824 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.517 1.973 8.560 1.00 0.00 H new ATOM 498 N VAL A 32 -6.344 2.355 5.745 1.00 0.00 N ATOM 499 CA VAL A 32 -5.742 2.915 4.543 1.00 0.00 C ATOM 500 C VAL A 32 -4.799 4.054 4.917 1.00 0.00 C ATOM 501 O VAL A 32 -3.813 4.318 4.229 1.00 0.00 O ATOM 502 CB VAL A 32 -6.814 3.430 3.561 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.182 3.856 2.244 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.879 2.369 3.327 1.00 0.00 C ATOM 0 H VAL A 32 -7.347 2.518 5.829 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.183 2.121 4.048 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.291 4.303 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.958 4.215 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.462 4.654 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.673 3.004 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.626 2.751 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.416 1.475 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.358 2.119 4.274 1.00 0.00 H new ATOM 514 N TYR A 33 -5.101 4.704 6.036 1.00 0.00 N ATOM 515 CA TYR A 33 -4.277 5.794 6.540 1.00 0.00 C ATOM 516 C TYR A 33 -2.857 5.303 6.821 1.00 0.00 C ATOM 517 O TYR A 33 -1.884 5.995 6.524 1.00 0.00 O ATOM 518 CB TYR A 33 -4.900 6.381 7.812 1.00 0.00 C ATOM 519 CG TYR A 33 -4.239 7.656 8.290 1.00 0.00 C ATOM 520 CD1 TYR A 33 -4.640 8.892 7.798 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.217 7.627 9.232 1.00 0.00 C ATOM 522 CE1 TYR A 33 -4.043 10.061 8.231 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.615 8.791 9.671 1.00 0.00 C ATOM 524 CZ TYR A 33 -3.032 10.006 9.166 1.00 0.00 C ATOM 525 OH TYR A 33 -2.436 11.171 9.600 1.00 0.00 O ATOM 0 H TYR A 33 -5.915 4.492 6.613 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.228 6.575 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.956 6.578 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.848 5.637 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.432 8.940 7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.888 6.678 9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.367 11.013 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.823 8.750 10.405 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.743 10.958 10.260 1.00 0.00 H new ATOM 535 N GLU A 34 -2.747 4.096 7.377 1.00 0.00 N ATOM 536 CA GLU A 34 -1.444 3.516 7.684 1.00 0.00 C ATOM 537 C GLU A 34 -0.669 3.237 6.404 1.00 0.00 C ATOM 538 O GLU A 34 0.542 3.443 6.345 1.00 0.00 O ATOM 539 CB GLU A 34 -1.584 2.213 8.478 1.00 0.00 C ATOM 540 CG GLU A 34 -2.293 2.361 9.813 1.00 0.00 C ATOM 541 CD GLU A 34 -2.071 1.159 10.709 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.524 0.053 10.360 1.00 0.00 O ATOM 543 OE2 GLU A 34 -1.405 1.309 11.754 1.00 0.00 O ATOM 0 H GLU A 34 -3.542 3.505 7.622 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.902 4.241 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.128 1.489 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.590 1.800 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.935 3.259 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.361 2.495 9.643 1.00 0.00 H new ATOM 550 N ALA A 35 -1.378 2.768 5.384 1.00 0.00 N ATOM 551 CA ALA A 35 -0.759 2.452 4.105 1.00 0.00 C ATOM 552 C ALA A 35 -0.219 3.712 3.439 1.00 0.00 C ATOM 553 O ALA A 35 0.935 3.749 3.013 1.00 0.00 O ATOM 554 CB ALA A 35 -1.751 1.745 3.195 1.00 0.00 C ATOM 0 H ALA A 35 -2.383 2.598 5.419 1.00 0.00 H new ATOM 0 HA ALA A 35 0.080 1.780 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.272 1.516 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.082 0.820 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.611 2.392 3.022 1.00 0.00 H new ATOM 560 N PHE A 36 -1.052 4.747 3.377 1.00 0.00 N ATOM 561 CA PHE A 36 -0.657 6.017 2.774 1.00 0.00 C ATOM 562 C PHE A 36 0.560 6.595 3.491 1.00 0.00 C ATOM 563 O PHE A 36 1.478 7.118 2.861 1.00 0.00 O ATOM 564 CB PHE A 36 -1.824 7.010 2.815 1.00 0.00 C ATOM 565 CG PHE A 36 -1.534 8.316 2.127 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.366 8.367 0.750 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.429 9.489 2.855 1.00 0.00 C ATOM 568 CE1 PHE A 36 -1.098 9.565 0.116 1.00 0.00 C ATOM 569 CE2 PHE A 36 -1.163 10.691 2.225 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.997 10.728 0.854 1.00 0.00 C ATOM 0 H PHE A 36 -2.006 4.731 3.737 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.389 5.837 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.696 6.551 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.084 7.208 3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.446 7.461 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.556 9.465 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.968 9.592 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.085 11.599 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.788 11.665 0.360 1.00 0.00 H new ATOM 580 N ASP A 37 0.557 6.490 4.813 1.00 0.00 N ATOM 581 CA ASP A 37 1.698 6.903 5.622 1.00 0.00 C ATOM 582 C ASP A 37 2.934 6.082 5.264 1.00 0.00 C ATOM 583 O ASP A 37 3.972 6.632 4.892 1.00 0.00 O ATOM 584 CB ASP A 37 1.371 6.735 7.110 1.00 0.00 C ATOM 585 CG ASP A 37 2.596 6.845 8.000 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.951 7.971 8.399 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.201 5.796 8.311 1.00 0.00 O ATOM 0 H ASP A 37 -0.227 6.120 5.351 1.00 0.00 H new ATOM 0 HA ASP A 37 1.908 7.953 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.645 7.492 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.901 5.764 7.266 1.00 0.00 H new ATOM 592 N PHE A 38 2.790 4.763 5.349 1.00 0.00 N ATOM 593 CA PHE A 38 3.887 3.822 5.126 1.00 0.00 C ATOM 594 C PHE A 38 4.594 4.066 3.798 1.00 0.00 C ATOM 595 O PHE A 38 5.823 4.175 3.752 1.00 0.00 O ATOM 596 CB PHE A 38 3.339 2.394 5.174 1.00 0.00 C ATOM 597 CG PHE A 38 4.320 1.337 4.754 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.356 0.959 5.590 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.195 0.711 3.521 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.251 -0.018 5.205 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.087 -0.266 3.132 1.00 0.00 C ATOM 602 CZ PHE A 38 6.115 -0.632 3.974 1.00 0.00 C ATOM 0 H PHE A 38 1.904 4.312 5.576 1.00 0.00 H new ATOM 0 HA PHE A 38 4.625 3.971 5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.006 2.180 6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.461 2.333 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.465 1.434 6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.390 0.993 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.057 -0.303 5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.980 -0.744 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.814 -1.398 3.672 1.00 0.00 H new ATOM 612 N LEU A 39 3.808 4.174 2.734 1.00 0.00 N ATOM 613 CA LEU A 39 4.334 4.295 1.376 1.00 0.00 C ATOM 614 C LEU A 39 5.263 5.496 1.222 1.00 0.00 C ATOM 615 O LEU A 39 6.139 5.504 0.359 1.00 0.00 O ATOM 616 CB LEU A 39 3.180 4.419 0.382 1.00 0.00 C ATOM 617 CG LEU A 39 2.201 3.245 0.366 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.978 3.590 -0.464 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.875 1.995 -0.178 1.00 0.00 C ATOM 0 H LEU A 39 2.789 4.180 2.786 1.00 0.00 H new ATOM 0 HA LEU A 39 4.914 3.395 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.625 5.330 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.596 4.538 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 39 1.883 3.047 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.290 2.745 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.482 4.461 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.283 3.812 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.163 1.170 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.220 2.181 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.726 1.737 0.452 1.00 0.00 H new ATOM 631 N GLN A 40 5.074 6.507 2.053 1.00 0.00 N ATOM 632 CA GLN A 40 5.846 7.733 1.929 1.00 0.00 C ATOM 633 C GLN A 40 7.209 7.621 2.604 1.00 0.00 C ATOM 634 O GLN A 40 8.241 7.792 1.951 1.00 0.00 O ATOM 635 CB GLN A 40 5.062 8.910 2.506 1.00 0.00 C ATOM 636 CG GLN A 40 3.806 9.242 1.718 1.00 0.00 C ATOM 637 CD GLN A 40 2.964 10.306 2.389 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.143 11.502 2.154 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.034 9.878 3.224 1.00 0.00 N ATOM 0 H GLN A 40 4.397 6.504 2.816 1.00 0.00 H new ATOM 0 HA GLN A 40 6.022 7.904 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.787 8.684 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.707 9.788 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.086 9.581 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.210 8.338 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.919 8.878 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.431 10.547 3.702 1.00 0.00 H new ATOM 648 N HIS A 41 7.222 7.321 3.900 1.00 0.00 N ATOM 649 CA HIS A 41 8.476 7.323 4.650 1.00 0.00 C ATOM 650 C HIS A 41 9.318 6.092 4.359 1.00 0.00 C ATOM 651 O HIS A 41 10.541 6.188 4.293 1.00 0.00 O ATOM 652 CB HIS A 41 8.267 7.464 6.168 1.00 0.00 C ATOM 653 CG HIS A 41 7.374 6.438 6.797 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.841 5.289 7.397 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.035 6.415 6.946 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.823 4.604 7.883 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.714 5.270 7.624 1.00 0.00 N ATOM 0 H HIS A 41 6.395 7.078 4.445 1.00 0.00 H new ATOM 0 HA HIS A 41 9.015 8.205 4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 41 9.241 7.420 6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.853 8.452 6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.341 7.164 6.594 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.887 3.660 8.404 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.772 4.979 7.886 1.00 0.00 H new ATOM 666 N GLU A 42 8.688 4.942 4.176 1.00 0.00 N ATOM 667 CA GLU A 42 9.458 3.730 3.978 1.00 0.00 C ATOM 668 C GLU A 42 8.760 2.751 3.050 1.00 0.00 C ATOM 669 O GLU A 42 8.164 1.773 3.494 1.00 0.00 O ATOM 670 CB GLU A 42 9.760 3.053 5.316 1.00 0.00 C ATOM 671 CG GLU A 42 10.982 2.156 5.263 1.00 0.00 C ATOM 672 CD GLU A 42 11.219 1.403 6.553 1.00 0.00 C ATOM 673 OE1 GLU A 42 11.437 2.057 7.593 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.202 0.155 6.531 1.00 0.00 O ATOM 0 H GLU A 42 7.675 4.825 4.161 1.00 0.00 H new ATOM 0 HA GLU A 42 10.394 4.026 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.910 3.818 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.896 2.463 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.866 1.442 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.860 2.760 5.035 1.00 0.00 H new ATOM 681 N TRP A 43 8.801 3.040 1.763 1.00 0.00 N ATOM 682 CA TRP A 43 8.456 2.050 0.757 1.00 0.00 C ATOM 683 C TRP A 43 9.750 1.433 0.227 1.00 0.00 C ATOM 684 O TRP A 43 10.430 2.026 -0.610 1.00 0.00 O ATOM 685 CB TRP A 43 7.642 2.686 -0.375 1.00 0.00 C ATOM 686 CG TRP A 43 7.246 1.729 -1.464 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.629 1.780 -2.773 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.394 0.580 -1.340 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.065 0.741 -3.471 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.305 -0.010 -2.615 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.698 -0.007 -0.280 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.550 -1.154 -2.857 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.949 -1.144 -0.522 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.881 -1.707 -1.801 1.00 0.00 C ATOM 0 H TRP A 43 9.069 3.950 1.389 1.00 0.00 H new ATOM 0 HA TRP A 43 7.834 1.271 1.199 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.741 3.131 0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.223 3.497 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.281 2.529 -3.198 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.192 0.558 -4.466 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.744 0.420 0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.495 -1.589 -3.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.407 -1.605 0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.288 -2.596 -1.957 1.00 0.00 H new ATOM 705 N PRO A 44 10.126 0.251 0.749 1.00 0.00 N ATOM 706 CA PRO A 44 11.418 -0.386 0.445 1.00 0.00 C ATOM 707 C PRO A 44 11.548 -0.832 -1.007 1.00 0.00 C ATOM 708 O PRO A 44 12.654 -1.086 -1.490 1.00 0.00 O ATOM 709 CB PRO A 44 11.454 -1.607 1.374 1.00 0.00 C ATOM 710 CG PRO A 44 10.388 -1.365 2.389 1.00 0.00 C ATOM 711 CD PRO A 44 9.337 -0.555 1.694 1.00 0.00 C ATOM 0 HA PRO A 44 12.240 0.314 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.268 -2.527 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.430 -1.712 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.977 -2.306 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.785 -0.832 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.612 -1.187 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.779 0.069 2.392 1.00 0.00 H new ATOM 719 N ALA A 45 10.428 -0.922 -1.702 1.00 0.00 N ATOM 720 CA ALA A 45 10.432 -1.377 -3.081 1.00 0.00 C ATOM 721 C ALA A 45 10.581 -0.209 -4.045 1.00 0.00 C ATOM 722 O ALA A 45 10.584 0.954 -3.637 1.00 0.00 O ATOM 723 CB ALA A 45 9.163 -2.158 -3.381 1.00 0.00 C ATOM 0 H ALA A 45 9.506 -0.687 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 45 11.290 -2.035 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.179 -2.493 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.104 -3.023 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.295 -1.518 -3.220 1.00 0.00 H new ATOM 729 N ARG A 46 10.707 -0.525 -5.323 1.00 0.00 N ATOM 730 CA ARG A 46 10.838 0.481 -6.362 1.00 0.00 C ATOM 731 C ARG A 46 9.842 0.206 -7.477 1.00 0.00 C ATOM 732 O ARG A 46 8.997 -0.681 -7.351 1.00 0.00 O ATOM 733 CB ARG A 46 12.271 0.502 -6.907 1.00 0.00 C ATOM 734 CG ARG A 46 13.267 1.154 -5.963 1.00 0.00 C ATOM 735 CD ARG A 46 14.693 1.064 -6.482 1.00 0.00 C ATOM 736 NE ARG A 46 15.222 -0.296 -6.402 1.00 0.00 N ATOM 737 CZ ARG A 46 16.488 -0.581 -6.102 1.00 0.00 C ATOM 738 NH1 ARG A 46 17.368 0.396 -5.913 1.00 0.00 N ATOM 739 NH2 ARG A 46 16.881 -1.842 -6.004 1.00 0.00 N ATOM 0 H ARG A 46 10.721 -1.485 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 46 10.622 1.461 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.590 -0.521 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.282 1.034 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.999 2.201 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.207 0.674 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.724 1.404 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.331 1.735 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 46 14.585 -1.071 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.075 1.369 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.336 0.173 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.214 -2.598 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.851 -2.057 -5.774 1.00 0.00 H new ATOM 753 N GLY A 47 9.923 0.966 -8.559 1.00 0.00 N ATOM 754 CA GLY A 47 9.006 0.777 -9.660 1.00 0.00 C ATOM 755 C GLY A 47 8.444 2.088 -10.156 1.00 0.00 C ATOM 756 O GLY A 47 7.900 2.154 -11.259 1.00 0.00 O ATOM 0 H GLY A 47 10.608 1.710 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.519 0.270 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.189 0.128 -9.345 1.00 0.00 H new ATOM 760 N ASP A 48 8.548 3.126 -9.316 1.00 0.00 N ATOM 761 CA ASP A 48 8.139 4.487 -9.669 1.00 0.00 C ATOM 762 C ASP A 48 6.625 4.588 -9.796 1.00 0.00 C ATOM 763 O ASP A 48 5.951 5.070 -8.889 1.00 0.00 O ATOM 764 CB ASP A 48 8.814 4.952 -10.970 1.00 0.00 C ATOM 765 CG ASP A 48 10.324 5.008 -10.849 1.00 0.00 C ATOM 766 OD1 ASP A 48 10.972 3.946 -10.912 1.00 0.00 O ATOM 767 OD2 ASP A 48 10.872 6.117 -10.687 1.00 0.00 O ATOM 0 H ASP A 48 8.920 3.043 -8.370 1.00 0.00 H new ATOM 0 HA ASP A 48 8.463 5.144 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.542 4.275 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.437 5.939 -11.239 1.00 0.00 H new ATOM 772 N ARG A 49 6.095 4.089 -10.902 1.00 0.00 N ATOM 773 CA ARG A 49 4.661 4.104 -11.156 1.00 0.00 C ATOM 774 C ARG A 49 3.921 3.246 -10.135 1.00 0.00 C ATOM 775 O ARG A 49 2.770 3.517 -9.801 1.00 0.00 O ATOM 776 CB ARG A 49 4.386 3.616 -12.575 1.00 0.00 C ATOM 777 CG ARG A 49 4.865 4.590 -13.636 1.00 0.00 C ATOM 778 CD ARG A 49 5.149 3.892 -14.955 1.00 0.00 C ATOM 779 NE ARG A 49 6.296 2.983 -14.855 1.00 0.00 N ATOM 780 CZ ARG A 49 7.523 3.282 -15.291 1.00 0.00 C ATOM 781 NH1 ARG A 49 7.779 4.475 -15.814 1.00 0.00 N ATOM 782 NH2 ARG A 49 8.505 2.398 -15.193 1.00 0.00 N ATOM 0 H ARG A 49 6.645 3.663 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 49 4.296 5.126 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.876 2.654 -12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.315 3.451 -12.696 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.111 5.362 -13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.768 5.091 -13.288 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.268 3.332 -15.267 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.342 4.637 -15.726 1.00 0.00 H new ATOM 0 HE ARG A 49 6.148 2.069 -14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.036 5.171 -15.885 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.718 4.696 -16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.327 1.481 -14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.439 2.634 -15.528 1.00 0.00 H new ATOM 796 N ALA A 50 4.600 2.222 -9.628 1.00 0.00 N ATOM 797 CA ALA A 50 4.041 1.374 -8.582 1.00 0.00 C ATOM 798 C ALA A 50 3.841 2.174 -7.299 1.00 0.00 C ATOM 799 O ALA A 50 2.833 2.027 -6.609 1.00 0.00 O ATOM 800 CB ALA A 50 4.947 0.178 -8.329 1.00 0.00 C ATOM 0 H ALA A 50 5.540 1.959 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 50 3.070 1.007 -8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.516 -0.446 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.044 -0.405 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.931 0.527 -8.015 1.00 0.00 H new ATOM 806 N HIS A 51 4.805 3.038 -7.002 1.00 0.00 N ATOM 807 CA HIS A 51 4.732 3.903 -5.832 1.00 0.00 C ATOM 808 C HIS A 51 3.727 5.020 -6.090 1.00 0.00 C ATOM 809 O HIS A 51 2.981 5.422 -5.196 1.00 0.00 O ATOM 810 CB HIS A 51 6.117 4.484 -5.524 1.00 0.00 C ATOM 811 CG HIS A 51 6.174 5.336 -4.290 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.424 6.688 -4.319 1.00 0.00 N ATOM 813 CD2 HIS A 51 6.039 5.011 -2.983 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.443 7.158 -3.088 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.211 6.161 -2.257 1.00 0.00 N ATOM 0 H HIS A 51 5.651 3.158 -7.559 1.00 0.00 H new ATOM 0 HA HIS A 51 4.403 3.324 -4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.826 3.663 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.445 5.079 -6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.834 4.028 -2.586 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.619 8.186 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.167 6.234 -1.241 1.00 0.00 H new ATOM 824 N GLU A 52 3.726 5.500 -7.328 1.00 0.00 N ATOM 825 CA GLU A 52 2.773 6.507 -7.786 1.00 0.00 C ATOM 826 C GLU A 52 1.332 6.042 -7.569 1.00 0.00 C ATOM 827 O GLU A 52 0.552 6.702 -6.877 1.00 0.00 O ATOM 828 CB GLU A 52 3.013 6.786 -9.273 1.00 0.00 C ATOM 829 CG GLU A 52 1.970 7.679 -9.919 1.00 0.00 C ATOM 830 CD GLU A 52 2.155 7.780 -11.417 1.00 0.00 C ATOM 831 OE1 GLU A 52 1.635 6.910 -12.148 1.00 0.00 O ATOM 832 OE2 GLU A 52 2.820 8.730 -11.873 1.00 0.00 O ATOM 0 H GLU A 52 4.387 5.202 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 52 2.922 7.419 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.993 7.249 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.043 5.837 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.975 7.289 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.024 8.675 -9.480 1.00 0.00 H new ATOM 839 N GLN A 53 0.996 4.897 -8.156 1.00 0.00 N ATOM 840 CA GLN A 53 -0.350 4.348 -8.069 1.00 0.00 C ATOM 841 C GLN A 53 -0.726 4.059 -6.622 1.00 0.00 C ATOM 842 O GLN A 53 -1.844 4.345 -6.198 1.00 0.00 O ATOM 843 CB GLN A 53 -0.452 3.076 -8.917 1.00 0.00 C ATOM 844 CG GLN A 53 -1.831 2.438 -8.915 1.00 0.00 C ATOM 845 CD GLN A 53 -1.950 1.319 -9.930 1.00 0.00 C ATOM 846 OE1 GLN A 53 -2.351 1.542 -11.072 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.589 0.110 -9.526 1.00 0.00 N ATOM 0 H GLN A 53 1.645 4.329 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.052 5.087 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.175 3.314 -9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.273 2.349 -8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.046 2.047 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.581 3.200 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.262 -0.032 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.638 -0.679 -10.171 1.00 0.00 H new ATOM 856 N ALA A 54 0.224 3.517 -5.864 1.00 0.00 N ATOM 857 CA ALA A 54 -0.004 3.187 -4.463 1.00 0.00 C ATOM 858 C ALA A 54 -0.469 4.409 -3.672 1.00 0.00 C ATOM 859 O ALA A 54 -1.461 4.345 -2.941 1.00 0.00 O ATOM 860 CB ALA A 54 1.259 2.605 -3.847 1.00 0.00 C ATOM 0 H ALA A 54 1.162 3.297 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.796 2.440 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.075 2.363 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.542 1.700 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.066 3.335 -3.914 1.00 0.00 H new ATOM 866 N LEU A 55 0.243 5.521 -3.829 1.00 0.00 N ATOM 867 CA LEU A 55 -0.110 6.760 -3.141 1.00 0.00 C ATOM 868 C LEU A 55 -1.457 7.280 -3.617 1.00 0.00 C ATOM 869 O LEU A 55 -2.298 7.673 -2.811 1.00 0.00 O ATOM 870 CB LEU A 55 0.956 7.832 -3.374 1.00 0.00 C ATOM 871 CG LEU A 55 2.315 7.556 -2.734 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.295 8.660 -3.087 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.175 7.432 -1.224 1.00 0.00 C ATOM 0 H LEU A 55 1.067 5.590 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.170 6.539 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.097 7.952 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.581 8.782 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 55 2.699 6.613 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.260 8.452 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.414 8.708 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.916 9.614 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.152 7.235 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.774 8.361 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.498 6.611 -0.988 1.00 0.00 H new ATOM 885 N ARG A 56 -1.647 7.270 -4.931 1.00 0.00 N ATOM 886 CA ARG A 56 -2.871 7.773 -5.547 1.00 0.00 C ATOM 887 C ARG A 56 -4.103 7.068 -4.980 1.00 0.00 C ATOM 888 O ARG A 56 -5.087 7.713 -4.605 1.00 0.00 O ATOM 889 CB ARG A 56 -2.799 7.570 -7.061 1.00 0.00 C ATOM 890 CG ARG A 56 -3.988 8.129 -7.820 1.00 0.00 C ATOM 891 CD ARG A 56 -3.864 7.856 -9.307 1.00 0.00 C ATOM 892 NE ARG A 56 -4.967 8.436 -10.065 1.00 0.00 N ATOM 893 CZ ARG A 56 -5.135 8.276 -11.376 1.00 0.00 C ATOM 894 NH1 ARG A 56 -4.287 7.523 -12.070 1.00 0.00 N ATOM 895 NH2 ARG A 56 -6.153 8.865 -11.988 1.00 0.00 N ATOM 0 H ARG A 56 -0.961 6.915 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.961 8.836 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.889 8.039 -7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.718 6.503 -7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.908 7.683 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.060 9.203 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.921 8.262 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.835 6.780 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.652 8.999 -9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.506 7.067 -11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.417 7.401 -13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.806 9.439 -11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.284 8.744 -12.992 1.00 0.00 H new ATOM 909 N LEU A 57 -4.030 5.745 -4.908 1.00 0.00 N ATOM 910 CA LEU A 57 -5.138 4.932 -4.415 1.00 0.00 C ATOM 911 C LEU A 57 -5.454 5.255 -2.959 1.00 0.00 C ATOM 912 O LEU A 57 -6.605 5.526 -2.608 1.00 0.00 O ATOM 913 CB LEU A 57 -4.792 3.448 -4.554 1.00 0.00 C ATOM 914 CG LEU A 57 -4.494 2.989 -5.980 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.914 1.585 -5.973 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.754 3.048 -6.833 1.00 0.00 C ATOM 0 H LEU A 57 -3.209 5.208 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.021 5.160 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.925 3.232 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.621 2.858 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.756 3.663 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.707 1.272 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.989 1.576 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.629 0.898 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.524 2.718 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.515 2.397 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.127 4.072 -6.861 1.00 0.00 H new ATOM 928 N CYS A 58 -4.424 5.239 -2.121 1.00 0.00 N ATOM 929 CA CYS A 58 -4.591 5.489 -0.695 1.00 0.00 C ATOM 930 C CYS A 58 -5.087 6.910 -0.444 1.00 0.00 C ATOM 931 O CYS A 58 -5.885 7.148 0.461 1.00 0.00 O ATOM 932 CB CYS A 58 -3.271 5.252 0.039 1.00 0.00 C ATOM 933 SG CYS A 58 -2.577 3.604 -0.223 1.00 0.00 S ATOM 0 H CYS A 58 -3.462 5.055 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.340 4.796 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.546 5.998 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.427 5.405 1.107 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.002 3.556 -1.388 1.00 0.00 H new ATOM 939 N ARG A 59 -4.619 7.846 -1.261 1.00 0.00 N ATOM 940 CA ARG A 59 -5.027 9.238 -1.143 1.00 0.00 C ATOM 941 C ARG A 59 -6.525 9.384 -1.398 1.00 0.00 C ATOM 942 O ARG A 59 -7.247 9.965 -0.590 1.00 0.00 O ATOM 943 CB ARG A 59 -4.248 10.109 -2.130 1.00 0.00 C ATOM 944 CG ARG A 59 -4.528 11.594 -1.979 1.00 0.00 C ATOM 945 CD ARG A 59 -3.986 12.389 -3.153 1.00 0.00 C ATOM 946 NE ARG A 59 -2.535 12.267 -3.293 1.00 0.00 N ATOM 947 CZ ARG A 59 -1.904 12.245 -4.465 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.595 12.251 -5.600 1.00 0.00 N ATOM 949 NH2 ARG A 59 -0.578 12.203 -4.498 1.00 0.00 N ATOM 0 H ARG A 59 -3.955 7.664 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.809 9.569 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.181 9.933 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.495 9.802 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.603 11.755 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.078 11.957 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.466 12.048 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.248 13.440 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.975 12.195 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.614 12.273 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.106 12.234 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.046 12.188 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.090 12.186 -5.394 1.00 0.00 H new ATOM 963 N ALA A 60 -6.986 8.836 -2.520 1.00 0.00 N ATOM 964 CA ALA A 60 -8.390 8.939 -2.903 1.00 0.00 C ATOM 965 C ALA A 60 -9.293 8.259 -1.882 1.00 0.00 C ATOM 966 O ALA A 60 -10.407 8.715 -1.628 1.00 0.00 O ATOM 967 CB ALA A 60 -8.617 8.335 -4.280 1.00 0.00 C ATOM 0 H ALA A 60 -6.407 8.316 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.645 9.998 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.670 8.422 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.012 8.866 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.332 7.283 -4.267 1.00 0.00 H new ATOM 973 N SER A 61 -8.804 7.178 -1.291 1.00 0.00 N ATOM 974 CA SER A 61 -9.580 6.423 -0.319 1.00 0.00 C ATOM 975 C SER A 61 -9.893 7.268 0.911 1.00 0.00 C ATOM 976 O SER A 61 -10.958 7.132 1.513 1.00 0.00 O ATOM 977 CB SER A 61 -8.825 5.155 0.089 1.00 0.00 C ATOM 978 OG SER A 61 -9.618 4.328 0.923 1.00 0.00 O ATOM 0 H SER A 61 -7.872 6.804 -1.468 1.00 0.00 H new ATOM 0 HA SER A 61 -10.524 6.141 -0.785 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.532 4.601 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.908 5.428 0.611 1.00 0.00 H new ATOM 0 HG SER A 61 -9.484 3.389 0.675 1.00 0.00 H new ATOM 984 N LEU A 62 -8.971 8.148 1.270 1.00 0.00 N ATOM 985 CA LEU A 62 -9.120 8.961 2.467 1.00 0.00 C ATOM 986 C LEU A 62 -9.693 10.334 2.144 1.00 0.00 C ATOM 987 O LEU A 62 -9.849 11.171 3.034 1.00 0.00 O ATOM 988 CB LEU A 62 -7.765 9.120 3.166 1.00 0.00 C ATOM 989 CG LEU A 62 -7.092 7.816 3.603 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.662 8.082 4.044 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.875 7.159 4.730 1.00 0.00 C ATOM 0 H LEU A 62 -8.111 8.317 0.749 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.818 8.450 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.089 9.650 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.901 9.751 4.045 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.077 7.136 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.196 7.146 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.100 8.512 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.663 8.779 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.380 6.234 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.921 7.835 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.886 6.936 4.389 1.00 0.00 H new ATOM 1003 N MET A 63 -10.014 10.569 0.880 1.00 0.00 N ATOM 1004 CA MET A 63 -10.441 11.894 0.453 1.00 0.00 C ATOM 1005 C MET A 63 -11.726 11.867 -0.356 1.00 0.00 C ATOM 1006 O MET A 63 -12.660 12.616 -0.073 1.00 0.00 O ATOM 1007 CB MET A 63 -9.356 12.560 -0.389 1.00 0.00 C ATOM 1008 CG MET A 63 -8.104 12.934 0.388 1.00 0.00 C ATOM 1009 SD MET A 63 -6.881 13.778 -0.637 1.00 0.00 S ATOM 1010 CE MET A 63 -7.809 15.220 -1.156 1.00 0.00 C ATOM 0 H MET A 63 -9.988 9.868 0.139 1.00 0.00 H new ATOM 0 HA MET A 63 -10.623 12.461 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.079 11.888 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 63 -9.768 13.459 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.378 13.577 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.660 12.033 0.810 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.119 16.017 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.430 14.963 -2.014 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.443 15.559 -0.337 1.00 0.00 H new ATOM 1020 N GLY A 64 -11.779 11.008 -1.362 1.00 0.00 N ATOM 1021 CA GLY A 64 -12.835 11.127 -2.344 1.00 0.00 C ATOM 1022 C GLY A 64 -13.250 9.824 -2.980 1.00 0.00 C ATOM 1023 O GLY A 64 -12.975 9.584 -4.158 1.00 0.00 O ATOM 0 H GLY A 64 -11.122 10.243 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.706 11.578 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.509 11.811 -3.128 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.896 8.993 -2.183 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.656 7.842 -2.675 1.00 0.00 C ATOM 1029 C ASP A 65 -13.775 6.697 -3.161 1.00 0.00 C ATOM 1030 O ASP A 65 -13.431 6.604 -4.340 1.00 0.00 O ATOM 1031 CB ASP A 65 -15.639 8.262 -3.777 1.00 0.00 C ATOM 1032 CG ASP A 65 -16.409 7.088 -4.350 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -17.129 6.414 -3.584 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -16.309 6.842 -5.574 1.00 0.00 O ATOM 0 H ASP A 65 -13.913 9.092 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.214 7.465 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.342 8.991 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.091 8.758 -4.578 1.00 0.00 H new ATOM 1039 N VAL A 66 -13.386 5.854 -2.221 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.806 4.550 -2.526 1.00 0.00 C ATOM 1041 C VAL A 66 -13.363 3.505 -1.567 1.00 0.00 C ATOM 1042 O VAL A 66 -13.331 3.689 -0.348 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.258 4.545 -2.453 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.717 3.123 -2.375 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.659 5.248 -3.657 1.00 0.00 C ATOM 0 H VAL A 66 -13.462 6.051 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.080 4.313 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.972 5.081 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.628 3.150 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.109 2.633 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.026 2.567 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.572 5.232 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.969 4.737 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.006 6.281 -3.685 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.906 2.431 -2.126 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.420 1.331 -1.328 1.00 0.00 C ATOM 1057 C ALA A 67 -13.277 0.586 -0.656 1.00 0.00 C ATOM 1058 O ALA A 67 -12.246 0.322 -1.282 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.245 0.389 -2.188 1.00 0.00 C ATOM 0 H ALA A 67 -14.001 2.300 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.068 1.738 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.622 -0.429 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.084 0.933 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.622 -0.014 -2.986 1.00 0.00 H new ATOM 1065 N GLY A 68 -13.472 0.244 0.611 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.427 -0.389 1.396 1.00 0.00 C ATOM 1067 C GLY A 68 -11.878 -1.648 0.753 1.00 0.00 C ATOM 1068 O GLY A 68 -10.662 -1.837 0.684 1.00 0.00 O ATOM 0 H GLY A 68 -14.346 0.396 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.613 0.320 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.820 -0.634 2.383 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.764 -2.507 0.267 1.00 0.00 N ATOM 1073 CA GLU A 69 -12.341 -3.765 -0.330 1.00 0.00 C ATOM 1074 C GLU A 69 -11.662 -3.525 -1.678 1.00 0.00 C ATOM 1075 O GLU A 69 -10.724 -4.233 -2.043 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.526 -4.714 -0.497 1.00 0.00 C ATOM 1077 CG GLU A 69 -13.115 -6.123 -0.883 1.00 0.00 C ATOM 1078 CD GLU A 69 -14.299 -7.020 -1.153 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -14.859 -7.580 -0.187 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.677 -7.168 -2.333 1.00 0.00 O ATOM 0 H GLU A 69 -13.773 -2.357 0.274 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.620 -4.229 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.089 -4.750 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.197 -4.317 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.484 -6.083 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.513 -6.554 -0.083 1.00 0.00 H new ATOM 1087 N ILE A 70 -12.125 -2.514 -2.405 1.00 0.00 N ATOM 1088 CA ILE A 70 -11.530 -2.171 -3.692 1.00 0.00 C ATOM 1089 C ILE A 70 -10.110 -1.646 -3.497 1.00 0.00 C ATOM 1090 O ILE A 70 -9.190 -2.047 -4.212 1.00 0.00 O ATOM 1091 CB ILE A 70 -12.381 -1.132 -4.460 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.752 -1.727 -4.803 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.662 -0.677 -5.727 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -14.655 -0.783 -5.570 1.00 0.00 C ATOM 0 H ILE A 70 -12.906 -1.920 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.498 -3.081 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.526 -0.260 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.607 -2.634 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.251 -2.022 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.277 0.053 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.708 -0.223 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.487 -1.536 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.606 -1.275 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.832 0.114 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.178 -0.507 -6.511 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.938 -0.760 -2.515 1.00 0.00 N ATOM 1107 CA ALA A 71 -8.615 -0.262 -2.143 1.00 0.00 C ATOM 1108 C ALA A 71 -7.654 -1.414 -1.859 1.00 0.00 C ATOM 1109 O ALA A 71 -6.487 -1.364 -2.239 1.00 0.00 O ATOM 1110 CB ALA A 71 -8.713 0.648 -0.927 1.00 0.00 C ATOM 0 H ALA A 71 -10.702 -0.372 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.224 0.310 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.720 1.010 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.359 1.495 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.131 0.091 -0.088 1.00 0.00 H new ATOM 1116 N ARG A 72 -8.162 -2.452 -1.200 1.00 0.00 N ATOM 1117 CA ARG A 72 -7.372 -3.644 -0.906 1.00 0.00 C ATOM 1118 C ARG A 72 -6.824 -4.270 -2.188 1.00 0.00 C ATOM 1119 O ARG A 72 -5.615 -4.462 -2.327 1.00 0.00 O ATOM 1120 CB ARG A 72 -8.229 -4.660 -0.145 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.629 -6.056 -0.092 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.561 -7.025 0.612 1.00 0.00 C ATOM 1123 NE ARG A 72 -8.153 -8.415 0.427 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.840 -9.239 1.424 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.806 -8.794 2.675 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.544 -10.504 1.164 1.00 0.00 N ATOM 0 H ARG A 72 -9.122 -2.491 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.525 -3.351 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.381 -4.302 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.212 -4.715 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.430 -6.408 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.672 -6.024 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.586 -6.794 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.574 -6.892 0.233 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.105 -8.777 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.020 -7.817 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.566 -9.429 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.556 -10.843 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.304 -11.138 1.926 1.00 0.00 H new ATOM 1140 N THR A 73 -7.718 -4.574 -3.123 1.00 0.00 N ATOM 1141 CA THR A 73 -7.337 -5.188 -4.387 1.00 0.00 C ATOM 1142 C THR A 73 -6.390 -4.278 -5.171 1.00 0.00 C ATOM 1143 O THR A 73 -5.399 -4.735 -5.745 1.00 0.00 O ATOM 1144 CB THR A 73 -8.583 -5.490 -5.242 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.545 -6.202 -4.453 1.00 0.00 O ATOM 1146 CG2 THR A 73 -8.222 -6.315 -6.469 1.00 0.00 C ATOM 0 H THR A 73 -8.719 -4.403 -3.026 1.00 0.00 H new ATOM 0 HA THR A 73 -6.823 -6.122 -4.160 1.00 0.00 H new ATOM 0 HB THR A 73 -9.004 -4.543 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.338 -6.392 -4.997 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.121 -6.512 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.507 -5.765 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.779 -7.260 -6.155 1.00 0.00 H new ATOM 1154 N ALA A 74 -6.694 -2.988 -5.170 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.891 -2.009 -5.883 1.00 0.00 C ATOM 1156 C ALA A 74 -4.496 -1.885 -5.271 1.00 0.00 C ATOM 1157 O ALA A 74 -3.507 -1.731 -5.988 1.00 0.00 O ATOM 1158 CB ALA A 74 -6.597 -0.662 -5.890 1.00 0.00 C ATOM 0 H ALA A 74 -7.497 -2.595 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.770 -2.349 -6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.988 0.065 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.564 -0.760 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.746 -0.324 -4.864 1.00 0.00 H new ATOM 1164 N PHE A 75 -4.424 -1.963 -3.947 1.00 0.00 N ATOM 1165 CA PHE A 75 -3.151 -1.873 -3.243 1.00 0.00 C ATOM 1166 C PHE A 75 -2.264 -3.065 -3.590 1.00 0.00 C ATOM 1167 O PHE A 75 -1.049 -2.924 -3.737 1.00 0.00 O ATOM 1168 CB PHE A 75 -3.377 -1.802 -1.729 1.00 0.00 C ATOM 1169 CG PHE A 75 -2.130 -1.508 -0.942 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.686 -0.205 -0.789 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.401 -2.532 -0.359 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.540 0.072 -0.069 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.254 -2.261 0.361 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.178 -0.958 0.506 1.00 0.00 C ATOM 0 H PHE A 75 -5.233 -2.089 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.647 -0.960 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.119 -1.032 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.795 -2.749 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.243 0.604 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.733 -3.554 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.206 1.093 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.305 -3.068 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.075 -0.745 1.068 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.878 -4.236 -3.733 1.00 0.00 N ATOM 1185 CA VAL A 76 -2.153 -5.439 -4.128 1.00 0.00 C ATOM 1186 C VAL A 76 -1.632 -5.298 -5.558 1.00 0.00 C ATOM 1187 O VAL A 76 -0.560 -5.795 -5.893 1.00 0.00 O ATOM 1188 CB VAL A 76 -3.037 -6.704 -4.008 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.319 -7.932 -4.552 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.441 -6.932 -2.558 1.00 0.00 C ATOM 0 H VAL A 76 -3.877 -4.377 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.310 -5.554 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.934 -6.544 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.965 -8.804 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.077 -7.776 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.400 -8.096 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.062 -7.825 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.548 -7.064 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.003 -6.071 -2.197 1.00 0.00 H new ATOM 1200 N ALA A 77 -2.388 -4.593 -6.390 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.974 -4.332 -7.764 1.00 0.00 C ATOM 1202 C ALA A 77 -0.805 -3.349 -7.803 1.00 0.00 C ATOM 1203 O ALA A 77 -0.009 -3.349 -8.742 1.00 0.00 O ATOM 1204 CB ALA A 77 -3.144 -3.801 -8.580 1.00 0.00 C ATOM 0 H ALA A 77 -3.291 -4.191 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.642 -5.272 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.818 -3.611 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.948 -4.538 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.506 -2.873 -8.137 1.00 0.00 H new ATOM 1210 N ALA A 78 -0.704 -2.516 -6.775 1.00 0.00 N ATOM 1211 CA ALA A 78 0.389 -1.558 -6.671 1.00 0.00 C ATOM 1212 C ALA A 78 1.632 -2.222 -6.082 1.00 0.00 C ATOM 1213 O ALA A 78 2.742 -2.043 -6.583 1.00 0.00 O ATOM 1214 CB ALA A 78 -0.030 -0.365 -5.827 1.00 0.00 C ATOM 0 H ALA A 78 -1.367 -2.485 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 78 0.633 -1.204 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.798 0.341 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.888 0.124 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.301 -0.704 -4.827 1.00 0.00 H new ATOM 1220 N SER A 79 1.432 -3.010 -5.032 1.00 0.00 N ATOM 1221 CA SER A 79 2.524 -3.728 -4.383 1.00 0.00 C ATOM 1222 C SER A 79 2.924 -4.955 -5.201 1.00 0.00 C ATOM 1223 O SER A 79 3.865 -5.673 -4.860 1.00 0.00 O ATOM 1224 CB SER A 79 2.115 -4.134 -2.965 1.00 0.00 C ATOM 1225 OG SER A 79 0.839 -4.750 -2.959 1.00 0.00 O ATOM 0 H SER A 79 0.517 -3.169 -4.609 1.00 0.00 H new ATOM 0 HA SER A 79 3.389 -3.067 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.855 -4.819 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.101 -3.254 -2.321 1.00 0.00 H new ATOM 0 HG SER A 79 0.147 -4.070 -3.094 1.00 0.00 H new ATOM 1231 N ARG A 80 2.196 -5.181 -6.286 1.00 0.00 N ATOM 1232 CA ARG A 80 2.454 -6.282 -7.207 1.00 0.00 C ATOM 1233 C ARG A 80 3.884 -6.219 -7.741 1.00 0.00 C ATOM 1234 O ARG A 80 4.489 -7.242 -8.062 1.00 0.00 O ATOM 1235 CB ARG A 80 1.456 -6.199 -8.365 1.00 0.00 C ATOM 1236 CG ARG A 80 1.410 -7.428 -9.253 1.00 0.00 C ATOM 1237 CD ARG A 80 0.411 -7.235 -10.381 1.00 0.00 C ATOM 1238 NE ARG A 80 0.234 -8.446 -11.178 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.049 -8.448 -12.495 1.00 0.00 C ATOM 1240 NH1 ARG A 80 0.045 -7.308 -13.174 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -0.127 -9.597 -13.132 1.00 0.00 N ATOM 0 H ARG A 80 1.402 -4.600 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 80 2.335 -7.228 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.460 -6.025 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.704 -5.333 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.400 -7.622 -9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.134 -8.301 -8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.550 -6.933 -9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.748 -6.424 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 80 0.253 -9.344 -10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.184 -6.423 -12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.097 -7.316 -14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.120 -10.475 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.269 -9.604 -14.142 1.00 0.00 H new ATOM 1255 N GLN A 81 4.423 -5.008 -7.813 1.00 0.00 N ATOM 1256 CA GLN A 81 5.768 -4.792 -8.331 1.00 0.00 C ATOM 1257 C GLN A 81 6.812 -4.859 -7.220 1.00 0.00 C ATOM 1258 O GLN A 81 8.005 -4.698 -7.471 1.00 0.00 O ATOM 1259 CB GLN A 81 5.840 -3.441 -9.042 1.00 0.00 C ATOM 1260 CG GLN A 81 4.998 -3.379 -10.307 1.00 0.00 C ATOM 1261 CD GLN A 81 5.507 -4.321 -11.382 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.707 -4.583 -11.473 1.00 0.00 O ATOM 1263 NE2 GLN A 81 4.606 -4.835 -12.203 1.00 0.00 N ATOM 0 H GLN A 81 3.946 -4.156 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 81 5.988 -5.588 -9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.511 -2.660 -8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.878 -3.227 -9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.965 -3.630 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.997 -2.359 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.621 -4.593 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.896 -5.473 -12.944 1.00 0.00 H new ATOM 1272 N ALA A 82 6.366 -5.109 -5.995 1.00 0.00 N ATOM 1273 CA ALA A 82 7.275 -5.192 -4.858 1.00 0.00 C ATOM 1274 C ALA A 82 7.853 -6.594 -4.727 1.00 0.00 C ATOM 1275 O ALA A 82 8.863 -6.793 -4.057 1.00 0.00 O ATOM 1276 CB ALA A 82 6.563 -4.794 -3.575 1.00 0.00 C ATOM 0 H ALA A 82 5.384 -5.257 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 82 8.097 -4.497 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.257 -4.862 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.200 -3.770 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.721 -5.464 -3.403 1.00 0.00 H new ATOM 1282 N HIS A 83 7.193 -7.560 -5.374 1.00 0.00 N ATOM 1283 CA HIS A 83 7.615 -8.969 -5.365 1.00 0.00 C ATOM 1284 C HIS A 83 7.364 -9.621 -4.007 1.00 0.00 C ATOM 1285 O HIS A 83 7.719 -10.779 -3.791 1.00 0.00 O ATOM 1286 CB HIS A 83 9.095 -9.127 -5.755 1.00 0.00 C ATOM 1287 CG HIS A 83 9.404 -8.733 -7.168 1.00 0.00 C ATOM 1288 ND1 HIS A 83 9.572 -9.647 -8.185 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.583 -7.515 -7.729 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.845 -9.007 -9.308 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.855 -7.710 -9.059 1.00 0.00 N ATOM 0 H HIS A 83 6.349 -7.389 -5.921 1.00 0.00 H new ATOM 0 HA HIS A 83 7.008 -9.478 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.703 -8.524 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.389 -10.166 -5.607 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.523 -6.563 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.029 -9.467 -10.268 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.035 -6.975 -9.743 1.00 0.00 H new ATOM 1300 N CYS A 84 6.730 -8.885 -3.104 1.00 0.00 N ATOM 1301 CA CYS A 84 6.435 -9.391 -1.774 1.00 0.00 C ATOM 1302 C CYS A 84 4.939 -9.313 -1.498 1.00 0.00 C ATOM 1303 O CYS A 84 4.462 -8.415 -0.805 1.00 0.00 O ATOM 1304 CB CYS A 84 7.215 -8.609 -0.714 1.00 0.00 C ATOM 1305 SG CYS A 84 9.009 -8.676 -0.920 1.00 0.00 S ATOM 0 H CYS A 84 6.410 -7.931 -3.271 1.00 0.00 H new ATOM 0 HA CYS A 84 6.744 -10.435 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.896 -7.567 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.958 -8.998 0.271 1.00 0.00 H new ATOM 0 HG CYS A 84 9.580 -7.984 0.021 1.00 0.00 H new ATOM 1311 N LEU A 85 4.202 -10.247 -2.076 1.00 0.00 N ATOM 1312 CA LEU A 85 2.761 -10.308 -1.895 1.00 0.00 C ATOM 1313 C LEU A 85 2.405 -11.466 -0.983 1.00 0.00 C ATOM 1314 O LEU A 85 2.823 -12.600 -1.214 1.00 0.00 O ATOM 1315 CB LEU A 85 2.053 -10.461 -3.242 1.00 0.00 C ATOM 1316 CG LEU A 85 2.193 -9.269 -4.184 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.579 -9.584 -5.539 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.539 -8.036 -3.580 1.00 0.00 C ATOM 0 H LEU A 85 4.581 -10.978 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 85 2.428 -9.376 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.443 -11.347 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.993 -10.638 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 85 3.254 -9.065 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.688 -8.722 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.087 -10.443 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.521 -9.813 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.648 -7.194 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.480 -8.232 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.020 -7.797 -2.632 1.00 0.00 H new ATOM 1330 N MET A 86 1.635 -11.178 0.049 1.00 0.00 N ATOM 1331 CA MET A 86 1.297 -12.178 1.051 1.00 0.00 C ATOM 1332 C MET A 86 -0.206 -12.236 1.269 1.00 0.00 C ATOM 1333 O MET A 86 -0.916 -11.260 1.018 1.00 0.00 O ATOM 1334 CB MET A 86 1.997 -11.867 2.380 1.00 0.00 C ATOM 1335 CG MET A 86 3.514 -11.969 2.325 1.00 0.00 C ATOM 1336 SD MET A 86 4.094 -13.650 2.016 1.00 0.00 S ATOM 1337 CE MET A 86 3.459 -14.500 3.461 1.00 0.00 C ATOM 0 H MET A 86 1.229 -10.258 0.218 1.00 0.00 H new ATOM 0 HA MET A 86 1.639 -13.146 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.723 -10.860 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.625 -12.552 3.142 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.889 -11.311 1.541 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.931 -11.613 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.022 -15.420 3.618 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.562 -13.858 4.336 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.407 -14.740 3.309 1.00 0.00 H new ATOM 1347 N GLU A 87 -0.682 -13.389 1.710 1.00 0.00 N ATOM 1348 CA GLU A 87 -2.077 -13.558 2.084 1.00 0.00 C ATOM 1349 C GLU A 87 -2.366 -12.782 3.366 1.00 0.00 C ATOM 1350 O GLU A 87 -1.489 -12.638 4.222 1.00 0.00 O ATOM 1351 CB GLU A 87 -2.382 -15.045 2.292 1.00 0.00 C ATOM 1352 CG GLU A 87 -3.472 -15.587 1.382 1.00 0.00 C ATOM 1353 CD GLU A 87 -4.805 -14.908 1.603 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -5.377 -15.060 2.702 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -5.285 -14.218 0.680 1.00 0.00 O ATOM 0 H GLU A 87 -0.116 -14.230 1.819 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.712 -13.174 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.469 -15.618 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.677 -15.203 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.170 -15.457 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.582 -16.658 1.551 1.00 0.00 H new ATOM 1362 N ASP A 88 -3.583 -12.286 3.507 1.00 0.00 N ATOM 1363 CA ASP A 88 -3.945 -11.513 4.688 1.00 0.00 C ATOM 1364 C ASP A 88 -4.412 -12.437 5.800 1.00 0.00 C ATOM 1365 O ASP A 88 -4.350 -12.088 6.977 1.00 0.00 O ATOM 1366 CB ASP A 88 -5.023 -10.474 4.367 1.00 0.00 C ATOM 1367 CG ASP A 88 -6.382 -11.082 4.082 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -6.471 -11.970 3.212 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -7.373 -10.647 4.703 1.00 0.00 O ATOM 0 H ASP A 88 -4.333 -12.402 2.826 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.057 -10.977 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.111 -9.783 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.707 -9.889 3.503 1.00 0.00 H new ATOM 1374 N LYS A 89 -4.856 -13.631 5.427 1.00 0.00 N ATOM 1375 CA LYS A 89 -5.265 -14.624 6.410 1.00 0.00 C ATOM 1376 C LYS A 89 -4.074 -15.480 6.828 1.00 0.00 C ATOM 1377 O LYS A 89 -4.224 -16.455 7.563 1.00 0.00 O ATOM 1378 CB LYS A 89 -6.375 -15.519 5.853 1.00 0.00 C ATOM 1379 CG LYS A 89 -7.578 -14.751 5.324 1.00 0.00 C ATOM 1380 CD LYS A 89 -8.717 -15.687 4.941 1.00 0.00 C ATOM 1381 CE LYS A 89 -8.266 -16.758 3.959 1.00 0.00 C ATOM 1382 NZ LYS A 89 -7.797 -16.183 2.670 1.00 0.00 N ATOM 0 H LYS A 89 -4.941 -13.933 4.457 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.649 -14.095 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.966 -16.132 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.707 -16.200 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.923 -14.048 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.282 -14.163 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.114 -16.161 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.529 -15.109 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.462 -17.343 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.092 -17.444 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.662 -16.947 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.506 -15.512 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.895 -15.687 2.819 1.00 0.00 H new ATOM 1396 N ALA A 90 -2.890 -15.108 6.353 1.00 0.00 N ATOM 1397 CA ALA A 90 -1.672 -15.836 6.680 1.00 0.00 C ATOM 1398 C ALA A 90 -1.239 -15.545 8.113 1.00 0.00 C ATOM 1399 O ALA A 90 -0.679 -16.406 8.793 1.00 0.00 O ATOM 1400 CB ALA A 90 -0.560 -15.472 5.708 1.00 0.00 C ATOM 0 H ALA A 90 -2.749 -14.305 5.740 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.877 -16.903 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.344 -16.024 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.865 -15.728 4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.361 -14.402 5.767 1.00 0.00 H new ATOM 1406 N GLU A 91 -1.517 -14.332 8.565 1.00 0.00 N ATOM 1407 CA GLU A 91 -1.159 -13.915 9.909 1.00 0.00 C ATOM 1408 C GLU A 91 -2.373 -13.962 10.825 1.00 0.00 C ATOM 1409 O GLU A 91 -3.369 -13.280 10.588 1.00 0.00 O ATOM 1410 CB GLU A 91 -0.564 -12.508 9.889 1.00 0.00 C ATOM 1411 CG GLU A 91 0.832 -12.446 9.291 1.00 0.00 C ATOM 1412 CD GLU A 91 1.845 -13.212 10.116 1.00 0.00 C ATOM 1413 OE1 GLU A 91 2.280 -12.689 11.163 1.00 0.00 O ATOM 1414 OE2 GLU A 91 2.206 -14.344 9.732 1.00 0.00 O ATOM 0 H GLU A 91 -1.992 -13.616 8.016 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.409 -14.605 10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.223 -11.852 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.531 -12.122 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.810 -12.851 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 91 1.145 -11.405 9.211 1.00 0.00 H new ATOM 1421 N ALA A 92 -2.290 -14.785 11.858 1.00 0.00 N ATOM 1422 CA ALA A 92 -3.370 -14.907 12.823 1.00 0.00 C ATOM 1423 C ALA A 92 -2.903 -14.478 14.211 1.00 0.00 C ATOM 1424 O ALA A 92 -2.237 -15.242 14.913 1.00 0.00 O ATOM 1425 CB ALA A 92 -3.900 -16.333 12.852 1.00 0.00 C ATOM 0 H ALA A 92 -1.484 -15.380 12.050 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.180 -14.245 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.708 -16.406 13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.276 -16.602 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.097 -17.014 13.132 1.00 0.00 H new ATOM 1431 N PRO A 93 -3.223 -13.237 14.608 1.00 0.00 N ATOM 1432 CA PRO A 93 -2.845 -12.700 15.911 1.00 0.00 C ATOM 1433 C PRO A 93 -3.822 -13.104 17.015 1.00 0.00 C ATOM 1434 O PRO A 93 -4.797 -13.817 16.768 1.00 0.00 O ATOM 1435 CB PRO A 93 -2.891 -11.194 15.679 1.00 0.00 C ATOM 1436 CG PRO A 93 -3.955 -11.000 14.649 1.00 0.00 C ATOM 1437 CD PRO A 93 -3.978 -12.252 13.806 1.00 0.00 C ATOM 0 HA PRO A 93 -1.877 -13.071 16.248 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.128 -10.659 16.599 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.929 -10.818 15.330 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.924 -10.833 15.120 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.744 -10.124 14.035 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.998 -12.588 13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.512 -12.088 12.834 1.00 0.00 H new ATOM 1445 N ASN A 94 -3.551 -12.643 18.231 1.00 0.00 N ATOM 1446 CA ASN A 94 -4.409 -12.942 19.375 1.00 0.00 C ATOM 1447 C ASN A 94 -5.725 -12.180 19.257 1.00 0.00 C ATOM 1448 O ASN A 94 -6.808 -12.765 19.335 1.00 0.00 O ATOM 1449 CB ASN A 94 -3.708 -12.569 20.687 1.00 0.00 C ATOM 1450 CG ASN A 94 -2.333 -13.197 20.815 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -1.335 -12.620 20.380 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -2.263 -14.374 21.413 1.00 0.00 N ATOM 0 H ASN A 94 -2.744 -12.060 18.452 1.00 0.00 H new ATOM 0 HA ASN A 94 -4.614 -14.013 19.381 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -3.615 -11.485 20.749 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -4.327 -12.884 21.527 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.360 -14.835 21.527 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.112 -14.821 21.760 1.00 0.00 H new ATOM 1459 N THR A 95 -5.618 -10.872 19.067 1.00 0.00 N ATOM 1460 CA THR A 95 -6.783 -10.021 18.875 1.00 0.00 C ATOM 1461 C THR A 95 -6.604 -9.178 17.615 1.00 0.00 C ATOM 1462 O THR A 95 -5.525 -9.175 17.019 1.00 0.00 O ATOM 1463 CB THR A 95 -7.017 -9.096 20.093 1.00 0.00 C ATOM 1464 OG1 THR A 95 -5.835 -8.333 20.380 1.00 0.00 O ATOM 1465 CG2 THR A 95 -7.414 -9.900 21.324 1.00 0.00 C ATOM 0 H THR A 95 -4.728 -10.374 19.042 1.00 0.00 H new ATOM 0 HA THR A 95 -7.656 -10.665 18.768 1.00 0.00 H new ATOM 0 HB THR A 95 -7.832 -8.417 19.841 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.116 -8.601 19.770 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.572 -9.224 22.165 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.335 -10.447 21.120 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.620 -10.605 21.570 1.00 0.00 H new ATOM 1473 N ILE A 96 -7.644 -8.464 17.215 1.00 0.00 N ATOM 1474 CA ILE A 96 -7.579 -7.635 16.017 1.00 0.00 C ATOM 1475 C ILE A 96 -6.684 -6.420 16.255 1.00 0.00 C ATOM 1476 O ILE A 96 -5.943 -5.994 15.372 1.00 0.00 O ATOM 1477 CB ILE A 96 -8.985 -7.166 15.583 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -9.905 -8.373 15.373 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -8.903 -6.332 14.310 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -11.323 -8.005 14.993 1.00 0.00 C ATOM 0 H ILE A 96 -8.542 -8.440 17.699 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.155 -8.244 15.218 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.401 -6.543 16.374 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.483 -9.007 14.593 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.927 -8.965 16.288 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.904 -6.011 14.020 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.278 -5.457 14.488 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.468 -6.931 13.510 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -11.912 -8.913 14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.765 -7.397 15.782 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.315 -7.440 14.061 1.00 0.00 H new ATOM 1492 N ALA A 97 -6.734 -5.890 17.471 1.00 0.00 N ATOM 1493 CA ALA A 97 -5.965 -4.703 17.830 1.00 0.00 C ATOM 1494 C ALA A 97 -4.510 -5.044 18.156 1.00 0.00 C ATOM 1495 O ALA A 97 -3.763 -4.198 18.648 1.00 0.00 O ATOM 1496 CB ALA A 97 -6.618 -3.999 19.009 1.00 0.00 C ATOM 0 H ALA A 97 -7.303 -6.266 18.230 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.959 -4.037 16.967 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.038 -3.114 19.271 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.632 -3.702 18.740 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.653 -4.676 19.863 1.00 0.00 H new ATOM 1502 N SER A 98 -4.106 -6.273 17.869 1.00 0.00 N ATOM 1503 CA SER A 98 -2.744 -6.707 18.143 1.00 0.00 C ATOM 1504 C SER A 98 -2.076 -7.220 16.873 1.00 0.00 C ATOM 1505 O SER A 98 -2.713 -7.888 16.061 1.00 0.00 O ATOM 1506 CB SER A 98 -2.741 -7.795 19.218 1.00 0.00 C ATOM 1507 OG SER A 98 -3.606 -8.866 18.868 1.00 0.00 O ATOM 0 H SER A 98 -4.701 -6.986 17.447 1.00 0.00 H new ATOM 0 HA SER A 98 -2.178 -5.850 18.507 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.728 -8.172 19.354 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.053 -7.369 20.171 1.00 0.00 H new ATOM 0 HG SER A 98 -4.031 -8.675 18.006 1.00 0.00 H new ATOM 1513 N GLY A 99 -0.803 -6.898 16.703 1.00 0.00 N ATOM 1514 CA GLY A 99 -0.066 -7.377 15.551 1.00 0.00 C ATOM 1515 C GLY A 99 0.982 -6.389 15.089 1.00 0.00 C ATOM 1516 O GLY A 99 2.178 -6.685 15.107 1.00 0.00 O ATOM 0 H GLY A 99 -0.266 -6.313 17.343 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.414 -8.324 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.761 -7.575 14.735 1.00 0.00 H new ATOM 1520 N SER A 100 0.534 -5.220 14.663 1.00 0.00 N ATOM 1521 CA SER A 100 1.437 -4.182 14.199 1.00 0.00 C ATOM 1522 C SER A 100 1.229 -2.899 14.998 1.00 0.00 C ATOM 1523 O SER A 100 0.396 -2.068 14.586 1.00 0.00 O ATOM 1524 CB SER A 100 1.218 -3.925 12.707 1.00 0.00 C ATOM 1525 OG SER A 100 1.432 -5.106 11.947 1.00 0.00 O ATOM 1526 OXT SER A 100 1.894 -2.732 16.044 1.00 0.00 O ATOM 0 H SER A 100 -0.453 -4.966 14.629 1.00 0.00 H new ATOM 0 HA SER A 100 2.463 -4.517 14.349 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.203 -3.562 12.543 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.896 -3.142 12.367 1.00 0.00 H new ATOM 0 HG SER A 100 2.373 -5.156 11.678 1.00 0.00 H new TER 1532 SER A 100