USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 38 MET CE :methyl -163:sc= -0.178 (180deg=-0.815) USER MOD Set 1.2: A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 CYS SG : rot 180:sc= 0.102 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 MET CE :methyl -143:sc= -0.287 (180deg=-2.66!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.23 (180deg=0.962) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.16 (180deg=0.891) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 10 TYR OH : rot 98:sc= 0.423 USER MOD Single : A 13 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.34) USER MOD Single : A 15 SER OG : rot 180:sc= -0.025 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.23) USER MOD Single : A 35 ASN : amide:sc= 1.05 K(o=1,f=-2.1) USER MOD Single : A 36 CYS SG : rot 101:sc= -0.684 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 17:sc= 0.453 USER MOD Single : A 54 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.54) USER MOD Single : A 56 HIS : no HE2:sc= 0.232 K(o=0.23,f=-1.1) USER MOD Single : A 58 HIS : no HE2:sc= -0.0242 K(o=-0.024,f=-4.6!) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.239 (180deg=-1.3) USER MOD Single : A 67 ASN : amide:sc= 0.498 K(o=0.5,f=-3.8!) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00334 (180deg=-0.142) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= 0.493 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -119:sc= 1.05 (180deg=-0.467) USER MOD Single : A 79 ASN : amide:sc= -0.0653 K(o=-0.065,f=-2.4) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc=-0.00563 K(o=-0.0056,f=-0.93) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0.823 (180deg=0.59) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.508 -13.241 -7.797 1.00 0.00 N ATOM 2 CA MET A 1 -2.031 -13.420 -6.406 1.00 0.00 C ATOM 3 C MET A 1 -2.612 -12.350 -5.485 1.00 0.00 C ATOM 4 O MET A 1 -2.841 -12.602 -4.301 1.00 0.00 O ATOM 5 CB MET A 1 -0.501 -13.390 -6.349 1.00 0.00 C ATOM 6 CG MET A 1 0.055 -13.583 -4.947 1.00 0.00 C ATOM 7 SD MET A 1 -0.488 -15.128 -4.189 1.00 0.00 S ATOM 8 CE MET A 1 0.248 -14.970 -2.562 1.00 0.00 C ATOM 0 H1 MET A 1 -2.285 -14.091 -8.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.537 -13.089 -7.794 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.038 -12.416 -8.222 1.00 0.00 H new ATOM 0 HA MET A 1 -2.375 -14.395 -6.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.105 -14.170 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.149 -12.437 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.144 -13.566 -4.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.254 -12.747 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.005 -15.849 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.330 -14.885 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.143 -14.079 -2.071 1.00 0.00 H new ATOM 20 N GLU A 2 -2.879 -11.165 -6.034 1.00 0.00 N ATOM 21 CA GLU A 2 -3.465 -10.071 -5.258 1.00 0.00 C ATOM 22 C GLU A 2 -4.865 -10.471 -4.790 1.00 0.00 C ATOM 23 O GLU A 2 -5.424 -9.888 -3.861 1.00 0.00 O ATOM 24 CB GLU A 2 -3.537 -8.796 -6.105 1.00 0.00 C ATOM 25 CG GLU A 2 -3.432 -7.510 -5.299 1.00 0.00 C ATOM 26 CD GLU A 2 -2.007 -7.210 -4.877 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.417 -8.013 -4.126 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.461 -6.163 -5.300 1.00 0.00 O ATOM 0 H GLU A 2 -2.699 -10.938 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.837 -9.873 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.735 -8.817 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.477 -8.791 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.815 -6.680 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.062 -7.587 -4.413 1.00 0.00 H new ATOM 35 N ASP A 3 -5.410 -11.482 -5.462 1.00 0.00 N ATOM 36 CA ASP A 3 -6.712 -12.055 -5.138 1.00 0.00 C ATOM 37 C ASP A 3 -6.763 -12.482 -3.674 1.00 0.00 C ATOM 38 O ASP A 3 -7.710 -12.174 -2.952 1.00 0.00 O ATOM 39 CB ASP A 3 -6.973 -13.297 -6.007 1.00 0.00 C ATOM 40 CG ASP A 3 -6.404 -13.193 -7.411 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.160 -13.260 -7.558 1.00 0.00 O ATOM 42 OD2 ASP A 3 -7.188 -13.083 -8.374 1.00 0.00 O ATOM 0 H ASP A 3 -4.954 -11.931 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.468 -11.293 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.544 -14.170 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.048 -13.464 -6.072 1.00 0.00 H new ATOM 47 N GLU A 4 -5.723 -13.185 -3.241 1.00 0.00 N ATOM 48 CA GLU A 4 -5.704 -13.788 -1.913 1.00 0.00 C ATOM 49 C GLU A 4 -5.120 -12.834 -0.876 1.00 0.00 C ATOM 50 O GLU A 4 -5.053 -13.154 0.314 1.00 0.00 O ATOM 51 CB GLU A 4 -4.902 -15.090 -1.941 1.00 0.00 C ATOM 52 CG GLU A 4 -5.448 -16.108 -2.929 1.00 0.00 C ATOM 53 CD GLU A 4 -6.887 -16.491 -2.644 1.00 0.00 C ATOM 54 OE1 GLU A 4 -7.114 -17.365 -1.787 1.00 0.00 O ATOM 55 OE2 GLU A 4 -7.799 -15.921 -3.277 1.00 0.00 O ATOM 0 H GLU A 4 -4.880 -13.352 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.733 -14.004 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.866 -14.866 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.898 -15.528 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.378 -15.702 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.827 -17.003 -2.902 1.00 0.00 H new ATOM 62 N MET A 5 -4.688 -11.671 -1.332 1.00 0.00 N ATOM 63 CA MET A 5 -4.158 -10.652 -0.441 1.00 0.00 C ATOM 64 C MET A 5 -4.792 -9.297 -0.743 1.00 0.00 C ATOM 65 O MET A 5 -4.141 -8.435 -1.331 1.00 0.00 O ATOM 66 CB MET A 5 -2.637 -10.539 -0.583 1.00 0.00 C ATOM 67 CG MET A 5 -1.884 -11.830 -0.309 1.00 0.00 C ATOM 68 SD MET A 5 -0.096 -11.616 -0.396 1.00 0.00 S ATOM 69 CE MET A 5 0.088 -10.992 -2.067 1.00 0.00 C ATOM 0 H MET A 5 -4.694 -11.408 -2.317 1.00 0.00 H new ATOM 0 HA MET A 5 -4.399 -10.947 0.580 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.402 -10.203 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.276 -9.770 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.155 -12.202 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.192 -12.587 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.997 -11.400 -2.510 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.773 -11.292 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.152 -9.904 -2.044 1.00 0.00 H new ATOM 79 N PRO A 6 -6.074 -9.095 -0.360 1.00 0.00 N ATOM 80 CA PRO A 6 -6.776 -7.821 -0.570 1.00 0.00 C ATOM 81 C PRO A 6 -5.958 -6.628 -0.080 1.00 0.00 C ATOM 82 O PRO A 6 -5.921 -6.327 1.112 1.00 0.00 O ATOM 83 CB PRO A 6 -8.055 -7.978 0.254 1.00 0.00 C ATOM 84 CG PRO A 6 -8.300 -9.445 0.290 1.00 0.00 C ATOM 85 CD PRO A 6 -6.942 -10.096 0.294 1.00 0.00 C ATOM 0 HA PRO A 6 -6.962 -7.623 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.932 -7.572 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.890 -7.448 -0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.868 -9.723 1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.882 -9.764 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.606 -10.317 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.948 -11.039 -0.252 1.00 0.00 H new ATOM 93 N LYS A 7 -5.287 -5.968 -1.009 1.00 0.00 N ATOM 94 CA LYS A 7 -4.388 -4.872 -0.683 1.00 0.00 C ATOM 95 C LYS A 7 -5.133 -3.539 -0.723 1.00 0.00 C ATOM 96 O LYS A 7 -4.584 -2.488 -0.392 1.00 0.00 O ATOM 97 CB LYS A 7 -3.223 -4.884 -1.673 1.00 0.00 C ATOM 98 CG LYS A 7 -2.063 -3.981 -1.299 1.00 0.00 C ATOM 99 CD LYS A 7 -0.906 -4.165 -2.266 1.00 0.00 C ATOM 100 CE LYS A 7 -0.347 -5.579 -2.193 1.00 0.00 C ATOM 101 NZ LYS A 7 0.482 -5.921 -3.378 1.00 0.00 N ATOM 0 H LYS A 7 -5.349 -6.175 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.001 -4.997 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.855 -5.906 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.595 -4.588 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.388 -2.941 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.734 -4.204 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.241 -3.956 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.118 -3.447 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.254 -5.683 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.170 -6.289 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.798 -6.909 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.082 -5.799 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.311 -5.294 -3.414 1.00 0.00 H new ATOM 115 N THR A 8 -6.390 -3.601 -1.124 1.00 0.00 N ATOM 116 CA THR A 8 -7.236 -2.425 -1.195 1.00 0.00 C ATOM 117 C THR A 8 -8.289 -2.473 -0.091 1.00 0.00 C ATOM 118 O THR A 8 -8.944 -3.500 0.108 1.00 0.00 O ATOM 119 CB THR A 8 -7.930 -2.340 -2.566 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.963 -2.523 -3.610 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.622 -0.998 -2.745 1.00 0.00 C ATOM 0 H THR A 8 -6.851 -4.465 -1.409 1.00 0.00 H new ATOM 0 HA THR A 8 -6.611 -1.542 -1.062 1.00 0.00 H new ATOM 0 HB THR A 8 -8.683 -3.127 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.408 -2.470 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.104 -0.965 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.373 -0.869 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.886 -0.197 -2.676 1.00 0.00 H new ATOM 129 N LEU A 9 -8.435 -1.379 0.637 1.00 0.00 N ATOM 130 CA LEU A 9 -9.416 -1.309 1.706 1.00 0.00 C ATOM 131 C LEU A 9 -10.660 -0.569 1.241 1.00 0.00 C ATOM 132 O LEU A 9 -10.577 0.519 0.670 1.00 0.00 O ATOM 133 CB LEU A 9 -8.832 -0.638 2.953 1.00 0.00 C ATOM 134 CG LEU A 9 -7.935 -1.525 3.824 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.685 -2.772 4.259 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.657 -1.901 3.094 1.00 0.00 C ATOM 0 H LEU A 9 -7.887 -0.528 0.507 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.693 -2.329 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.256 0.233 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.656 -0.272 3.566 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.659 -0.955 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.034 -3.391 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.565 -2.485 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.994 -3.336 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.042 -2.530 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.905 -2.446 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.106 -0.997 2.836 1.00 0.00 H new ATOM 148 N TYR A 10 -11.805 -1.184 1.476 1.00 0.00 N ATOM 149 CA TYR A 10 -13.088 -0.610 1.121 1.00 0.00 C ATOM 150 C TYR A 10 -13.662 0.124 2.324 1.00 0.00 C ATOM 151 O TYR A 10 -14.089 -0.508 3.290 1.00 0.00 O ATOM 152 CB TYR A 10 -14.041 -1.728 0.679 1.00 0.00 C ATOM 153 CG TYR A 10 -15.390 -1.261 0.168 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.388 -0.837 1.039 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.667 -1.266 -1.189 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.621 -0.429 0.568 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.895 -0.859 -1.669 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.870 -0.441 -0.788 1.00 0.00 C ATOM 159 OH TYR A 10 -19.097 -0.038 -1.266 1.00 0.00 O ATOM 0 H TYR A 10 -11.870 -2.100 1.921 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.963 0.096 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.555 -2.309 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.202 -2.400 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.196 -0.827 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.908 -1.594 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.385 -0.103 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.092 -0.868 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.043 0.895 -1.561 1.00 0.00 H new ATOM 169 N VAL A 11 -13.647 1.446 2.277 1.00 0.00 N ATOM 170 CA VAL A 11 -14.221 2.247 3.346 1.00 0.00 C ATOM 171 C VAL A 11 -15.471 2.956 2.850 1.00 0.00 C ATOM 172 O VAL A 11 -15.420 3.691 1.864 1.00 0.00 O ATOM 173 CB VAL A 11 -13.219 3.288 3.887 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.816 4.049 5.066 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.917 2.614 4.288 1.00 0.00 C ATOM 0 H VAL A 11 -13.244 1.987 1.511 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.476 1.570 4.161 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.006 4.004 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.093 4.778 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.721 4.565 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.061 3.349 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.222 3.363 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.114 1.875 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.480 2.120 3.420 1.00 0.00 H new ATOM 185 N GLY A 12 -16.586 2.715 3.519 1.00 0.00 N ATOM 186 CA GLY A 12 -17.834 3.331 3.124 1.00 0.00 C ATOM 187 C GLY A 12 -18.310 4.371 4.115 1.00 0.00 C ATOM 188 O GLY A 12 -17.625 4.654 5.101 1.00 0.00 O ATOM 0 H GLY A 12 -16.649 2.102 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.712 3.796 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.597 2.560 3.017 1.00 0.00 H new ATOM 192 N ASN A 13 -19.498 4.915 3.852 1.00 0.00 N ATOM 193 CA ASN A 13 -20.084 5.999 4.645 1.00 0.00 C ATOM 194 C ASN A 13 -19.255 7.266 4.542 1.00 0.00 C ATOM 195 O ASN A 13 -18.926 7.899 5.546 1.00 0.00 O ATOM 196 CB ASN A 13 -20.270 5.601 6.113 1.00 0.00 C ATOM 197 CG ASN A 13 -21.600 4.917 6.367 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.141 4.235 5.497 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.137 5.094 7.563 1.00 0.00 N ATOM 0 H ASN A 13 -20.087 4.614 3.076 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.071 6.196 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.460 4.935 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.197 6.490 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.030 4.658 7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.658 5.667 8.258 1.00 0.00 H new ATOM 206 N LEU A 14 -18.918 7.635 3.318 1.00 0.00 N ATOM 207 CA LEU A 14 -18.173 8.858 3.071 1.00 0.00 C ATOM 208 C LEU A 14 -19.120 10.024 2.822 1.00 0.00 C ATOM 209 O LEU A 14 -20.332 9.844 2.695 1.00 0.00 O ATOM 210 CB LEU A 14 -17.227 8.692 1.875 1.00 0.00 C ATOM 211 CG LEU A 14 -15.841 8.117 2.196 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.094 9.031 3.153 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.950 6.720 2.778 1.00 0.00 C ATOM 0 H LEU A 14 -19.149 7.104 2.478 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.578 9.069 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.708 8.044 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.095 9.665 1.402 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.280 8.053 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.113 8.608 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.972 10.014 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.660 9.128 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.953 6.338 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.535 6.753 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.441 6.064 2.060 1.00 0.00 H new ATOM 225 N SER A 15 -18.554 11.215 2.757 1.00 0.00 N ATOM 226 CA SER A 15 -19.318 12.419 2.503 1.00 0.00 C ATOM 227 C SER A 15 -18.533 13.308 1.549 1.00 0.00 C ATOM 228 O SER A 15 -17.301 13.313 1.567 1.00 0.00 O ATOM 229 CB SER A 15 -19.602 13.154 3.823 1.00 0.00 C ATOM 230 OG SER A 15 -20.478 14.254 3.629 1.00 0.00 O ATOM 0 H SER A 15 -17.554 11.373 2.879 1.00 0.00 H new ATOM 0 HA SER A 15 -20.275 12.162 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.041 12.460 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.664 13.506 4.254 1.00 0.00 H new ATOM 0 HG SER A 15 -20.639 14.699 4.487 1.00 0.00 H new ATOM 236 N ARG A 16 -19.253 14.049 0.712 1.00 0.00 N ATOM 237 CA ARG A 16 -18.634 14.925 -0.283 1.00 0.00 C ATOM 238 C ARG A 16 -17.854 16.054 0.389 1.00 0.00 C ATOM 239 O ARG A 16 -17.063 16.744 -0.254 1.00 0.00 O ATOM 240 CB ARG A 16 -19.692 15.511 -1.236 1.00 0.00 C ATOM 241 CG ARG A 16 -20.571 16.602 -0.626 1.00 0.00 C ATOM 242 CD ARG A 16 -21.512 16.063 0.443 1.00 0.00 C ATOM 243 NE ARG A 16 -22.498 15.135 -0.107 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.432 14.524 0.617 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.474 14.698 1.937 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.314 13.730 0.017 1.00 0.00 N ATOM 0 H ARG A 16 -20.273 14.061 0.702 1.00 0.00 H new ATOM 0 HA ARG A 16 -17.938 14.321 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.186 15.919 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.333 14.702 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.937 17.374 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.156 17.076 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.931 15.558 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.027 16.894 0.924 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.468 14.944 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.789 15.300 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.191 14.229 2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.272 13.592 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.032 13.259 0.567 1.00 0.00 H new ATOM 260 N ASP A 17 -18.082 16.228 1.683 1.00 0.00 N ATOM 261 CA ASP A 17 -17.380 17.241 2.464 1.00 0.00 C ATOM 262 C ASP A 17 -16.234 16.618 3.258 1.00 0.00 C ATOM 263 O ASP A 17 -15.614 17.274 4.097 1.00 0.00 O ATOM 264 CB ASP A 17 -18.346 17.967 3.405 1.00 0.00 C ATOM 265 CG ASP A 17 -19.290 17.024 4.118 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.500 17.055 3.818 1.00 0.00 O ATOM 267 OD2 ASP A 17 -18.829 16.222 4.954 1.00 0.00 O ATOM 0 H ASP A 17 -18.753 15.677 2.219 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.961 17.969 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.774 18.528 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.926 18.692 2.834 1.00 0.00 H new ATOM 272 N VAL A 18 -15.960 15.349 2.994 1.00 0.00 N ATOM 273 CA VAL A 18 -14.814 14.674 3.586 1.00 0.00 C ATOM 274 C VAL A 18 -13.641 14.719 2.614 1.00 0.00 C ATOM 275 O VAL A 18 -13.715 14.168 1.512 1.00 0.00 O ATOM 276 CB VAL A 18 -15.130 13.205 3.944 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.890 12.488 4.462 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.247 13.133 4.972 1.00 0.00 C ATOM 0 H VAL A 18 -16.518 14.764 2.372 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.562 15.194 4.510 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.459 12.703 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.142 11.456 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.115 12.501 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.524 12.993 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.455 12.090 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.943 13.659 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.145 13.598 4.566 1.00 0.00 H new ATOM 288 N THR A 19 -12.577 15.395 3.012 1.00 0.00 N ATOM 289 CA THR A 19 -11.411 15.542 2.161 1.00 0.00 C ATOM 290 C THR A 19 -10.600 14.247 2.110 1.00 0.00 C ATOM 291 O THR A 19 -10.494 13.510 3.097 1.00 0.00 O ATOM 292 CB THR A 19 -10.514 16.707 2.636 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.386 16.851 1.763 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.031 16.495 4.064 1.00 0.00 C ATOM 0 H THR A 19 -12.497 15.851 3.921 1.00 0.00 H new ATOM 0 HA THR A 19 -11.770 15.769 1.157 1.00 0.00 H new ATOM 0 HB THR A 19 -11.115 17.616 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.826 17.593 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.403 17.334 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.890 16.427 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.454 15.572 4.120 1.00 0.00 H new ATOM 302 N GLU A 20 -10.044 13.988 0.935 1.00 0.00 N ATOM 303 CA GLU A 20 -9.235 12.807 0.682 1.00 0.00 C ATOM 304 C GLU A 20 -7.962 12.839 1.519 1.00 0.00 C ATOM 305 O GLU A 20 -7.449 11.799 1.938 1.00 0.00 O ATOM 306 CB GLU A 20 -8.898 12.753 -0.811 1.00 0.00 C ATOM 307 CG GLU A 20 -7.986 11.608 -1.207 1.00 0.00 C ATOM 308 CD GLU A 20 -7.612 11.652 -2.672 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.137 10.834 -3.451 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.795 12.512 -3.057 1.00 0.00 O ATOM 0 H GLU A 20 -10.143 14.598 0.124 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.793 11.914 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.826 12.675 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.427 13.693 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.080 11.642 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.480 10.661 -0.989 1.00 0.00 H new ATOM 317 N ALA A 21 -7.474 14.042 1.783 1.00 0.00 N ATOM 318 CA ALA A 21 -6.250 14.218 2.551 1.00 0.00 C ATOM 319 C ALA A 21 -6.423 13.725 3.984 1.00 0.00 C ATOM 320 O ALA A 21 -5.470 13.258 4.607 1.00 0.00 O ATOM 321 CB ALA A 21 -5.833 15.678 2.548 1.00 0.00 C ATOM 0 H ALA A 21 -7.908 14.913 1.476 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.468 13.623 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.916 15.796 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.660 16.005 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.623 16.283 2.993 1.00 0.00 H new ATOM 327 N LEU A 22 -7.643 13.826 4.495 1.00 0.00 N ATOM 328 CA LEU A 22 -7.936 13.413 5.861 1.00 0.00 C ATOM 329 C LEU A 22 -7.930 11.895 5.969 1.00 0.00 C ATOM 330 O LEU A 22 -7.178 11.326 6.753 1.00 0.00 O ATOM 331 CB LEU A 22 -9.294 13.970 6.301 1.00 0.00 C ATOM 332 CG LEU A 22 -9.698 13.659 7.744 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.706 14.266 8.720 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.103 14.171 8.024 1.00 0.00 C ATOM 0 H LEU A 22 -8.446 14.191 3.983 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.163 13.811 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.283 15.052 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.062 13.577 5.635 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.691 12.577 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.011 14.034 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.714 13.853 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.680 15.347 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.375 13.942 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.134 15.250 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.808 13.689 7.347 1.00 0.00 H new ATOM 346 N ILE A 23 -8.756 11.248 5.155 1.00 0.00 N ATOM 347 CA ILE A 23 -8.895 9.794 5.185 1.00 0.00 C ATOM 348 C ILE A 23 -7.555 9.103 4.941 1.00 0.00 C ATOM 349 O ILE A 23 -7.178 8.185 5.674 1.00 0.00 O ATOM 350 CB ILE A 23 -9.924 9.316 4.135 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.315 9.871 4.459 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.958 7.793 4.049 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.841 9.450 5.817 1.00 0.00 C ATOM 0 H ILE A 23 -9.344 11.710 4.461 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.250 9.524 6.179 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.615 9.697 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.281 10.960 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.015 9.542 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.691 7.487 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.973 7.423 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.234 7.380 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.829 9.882 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.909 8.363 5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.163 9.802 6.595 1.00 0.00 H new ATOM 365 N LEU A 24 -6.829 9.563 3.927 1.00 0.00 N ATOM 366 CA LEU A 24 -5.532 8.981 3.597 1.00 0.00 C ATOM 367 C LEU A 24 -4.544 9.139 4.744 1.00 0.00 C ATOM 368 O LEU A 24 -3.692 8.281 4.945 1.00 0.00 O ATOM 369 CB LEU A 24 -4.957 9.599 2.322 1.00 0.00 C ATOM 370 CG LEU A 24 -5.289 8.855 1.027 1.00 0.00 C ATOM 371 CD1 LEU A 24 -6.786 8.848 0.766 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.539 9.477 -0.138 1.00 0.00 C ATOM 0 H LEU A 24 -7.114 10.333 3.322 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.692 7.917 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.322 10.622 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.873 9.655 2.422 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.970 7.818 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.991 8.312 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.297 8.353 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.145 9.874 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.782 8.940 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.830 10.522 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.466 9.415 0.045 1.00 0.00 H new ATOM 384 N GLN A 25 -4.672 10.226 5.497 1.00 0.00 N ATOM 385 CA GLN A 25 -3.792 10.482 6.632 1.00 0.00 C ATOM 386 C GLN A 25 -3.927 9.379 7.676 1.00 0.00 C ATOM 387 O GLN A 25 -2.931 8.859 8.178 1.00 0.00 O ATOM 388 CB GLN A 25 -4.119 11.832 7.267 1.00 0.00 C ATOM 389 CG GLN A 25 -3.200 12.203 8.421 1.00 0.00 C ATOM 390 CD GLN A 25 -3.588 13.514 9.081 1.00 0.00 C ATOM 391 OE1 GLN A 25 -4.758 13.893 9.098 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.612 14.215 9.635 1.00 0.00 N ATOM 0 H GLN A 25 -5.378 10.946 5.342 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.765 10.499 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.059 12.607 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.149 11.816 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.219 11.407 9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.175 12.274 8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.653 13.869 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.819 15.101 10.096 1.00 0.00 H new ATOM 401 N LEU A 26 -5.170 9.025 7.979 1.00 0.00 N ATOM 402 CA LEU A 26 -5.465 7.983 8.957 1.00 0.00 C ATOM 403 C LEU A 26 -4.768 6.677 8.587 1.00 0.00 C ATOM 404 O LEU A 26 -4.087 6.066 9.407 1.00 0.00 O ATOM 405 CB LEU A 26 -6.979 7.748 9.049 1.00 0.00 C ATOM 406 CG LEU A 26 -7.767 8.711 9.952 1.00 0.00 C ATOM 407 CD1 LEU A 26 -7.267 8.635 11.381 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.695 10.142 9.441 1.00 0.00 C ATOM 0 H LEU A 26 -5.997 9.448 7.558 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.093 8.318 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.395 7.805 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.146 6.732 9.406 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.812 8.401 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.838 9.324 12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.391 7.619 11.756 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.212 8.907 11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.263 10.794 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.655 10.467 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.115 10.191 8.436 1.00 0.00 H new ATOM 420 N PHE A 27 -4.926 6.266 7.338 1.00 0.00 N ATOM 421 CA PHE A 27 -4.354 5.010 6.873 1.00 0.00 C ATOM 422 C PHE A 27 -2.843 5.123 6.675 1.00 0.00 C ATOM 423 O PHE A 27 -2.112 4.152 6.877 1.00 0.00 O ATOM 424 CB PHE A 27 -5.038 4.574 5.578 1.00 0.00 C ATOM 425 CG PHE A 27 -6.476 4.180 5.772 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.501 5.069 5.492 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.803 2.919 6.243 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.821 4.708 5.678 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.121 2.552 6.429 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.130 3.448 6.146 1.00 0.00 C ATOM 0 H PHE A 27 -5.445 6.783 6.628 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.527 4.253 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.985 5.388 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.492 3.733 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.265 6.056 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.017 2.214 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.610 5.411 5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.361 1.565 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.162 3.163 6.291 1.00 0.00 H new ATOM 440 N SER A 28 -2.380 6.311 6.297 1.00 0.00 N ATOM 441 CA SER A 28 -0.955 6.559 6.103 1.00 0.00 C ATOM 442 C SER A 28 -0.211 6.432 7.429 1.00 0.00 C ATOM 443 O SER A 28 0.964 6.058 7.469 1.00 0.00 O ATOM 444 CB SER A 28 -0.740 7.956 5.502 1.00 0.00 C ATOM 445 OG SER A 28 0.623 8.187 5.178 1.00 0.00 O ATOM 0 H SER A 28 -2.974 7.121 6.118 1.00 0.00 H new ATOM 0 HA SER A 28 -0.560 5.815 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.350 8.064 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.078 8.712 6.210 1.00 0.00 H new ATOM 0 HG SER A 28 0.721 9.085 4.797 1.00 0.00 H new ATOM 451 N GLN A 29 -0.914 6.729 8.515 1.00 0.00 N ATOM 452 CA GLN A 29 -0.343 6.638 9.850 1.00 0.00 C ATOM 453 C GLN A 29 -0.134 5.175 10.242 1.00 0.00 C ATOM 454 O GLN A 29 0.642 4.862 11.147 1.00 0.00 O ATOM 455 CB GLN A 29 -1.256 7.344 10.860 1.00 0.00 C ATOM 456 CG GLN A 29 -0.659 7.465 12.251 1.00 0.00 C ATOM 457 CD GLN A 29 -1.549 8.237 13.203 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.774 8.226 13.082 1.00 0.00 O ATOM 459 NE2 GLN A 29 -0.935 8.929 14.148 1.00 0.00 N ATOM 0 H GLN A 29 -1.886 7.037 8.495 1.00 0.00 H new ATOM 0 HA GLN A 29 0.628 7.133 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.490 8.341 10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.198 6.799 10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.481 6.468 12.654 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.310 7.959 12.184 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.083 8.911 14.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.479 9.481 14.811 1.00 0.00 H new ATOM 468 N ILE A 30 -0.817 4.276 9.544 1.00 0.00 N ATOM 469 CA ILE A 30 -0.694 2.853 9.822 1.00 0.00 C ATOM 470 C ILE A 30 0.258 2.188 8.835 1.00 0.00 C ATOM 471 O ILE A 30 1.213 1.524 9.236 1.00 0.00 O ATOM 472 CB ILE A 30 -2.058 2.132 9.766 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.074 2.811 10.694 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.891 0.663 10.138 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.654 2.850 12.150 1.00 0.00 C ATOM 0 H ILE A 30 -1.458 4.507 8.785 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.297 2.767 10.833 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.439 2.194 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.241 3.831 10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.027 2.288 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.859 0.164 10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.206 0.186 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.488 0.587 11.148 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.426 3.346 12.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.516 1.833 12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.717 3.400 12.244 1.00 0.00 H new ATOM 487 N GLY A 31 0.009 2.381 7.546 1.00 0.00 N ATOM 488 CA GLY A 31 0.813 1.724 6.536 1.00 0.00 C ATOM 489 C GLY A 31 1.127 2.625 5.362 1.00 0.00 C ATOM 490 O GLY A 31 0.555 3.708 5.240 1.00 0.00 O ATOM 0 H GLY A 31 -0.733 2.979 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.745 1.382 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.288 0.838 6.179 1.00 0.00 H new ATOM 494 N PRO A 32 2.042 2.192 4.479 1.00 0.00 N ATOM 495 CA PRO A 32 2.426 2.954 3.288 1.00 0.00 C ATOM 496 C PRO A 32 1.299 3.022 2.260 1.00 0.00 C ATOM 497 O PRO A 32 0.882 1.996 1.711 1.00 0.00 O ATOM 498 CB PRO A 32 3.618 2.172 2.713 1.00 0.00 C ATOM 499 CG PRO A 32 4.026 1.214 3.780 1.00 0.00 C ATOM 500 CD PRO A 32 2.787 0.927 4.572 1.00 0.00 C ATOM 0 HA PRO A 32 2.662 3.989 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.337 1.645 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.438 2.842 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.434 0.300 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.803 1.642 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.223 0.093 4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.018 0.668 5.605 1.00 0.00 H new ATOM 508 N CYS A 33 0.813 4.230 2.005 1.00 0.00 N ATOM 509 CA CYS A 33 -0.258 4.443 1.040 1.00 0.00 C ATOM 510 C CYS A 33 0.252 4.277 -0.392 1.00 0.00 C ATOM 511 O CYS A 33 1.351 4.719 -0.735 1.00 0.00 O ATOM 512 CB CYS A 33 -0.871 5.836 1.237 1.00 0.00 C ATOM 513 SG CYS A 33 0.349 7.170 1.359 1.00 0.00 S ATOM 0 H CYS A 33 1.146 5.082 2.456 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.029 3.691 1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.542 6.047 0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.478 5.829 2.142 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.264 8.305 1.521 1.00 0.00 H new ATOM 519 N LYS A 34 -0.547 3.608 -1.209 1.00 0.00 N ATOM 520 CA LYS A 34 -0.212 3.379 -2.608 1.00 0.00 C ATOM 521 C LYS A 34 -1.054 4.262 -3.517 1.00 0.00 C ATOM 522 O LYS A 34 -0.528 5.013 -4.338 1.00 0.00 O ATOM 523 CB LYS A 34 -0.451 1.910 -2.983 1.00 0.00 C ATOM 524 CG LYS A 34 -0.378 1.653 -4.482 1.00 0.00 C ATOM 525 CD LYS A 34 -1.061 0.351 -4.865 1.00 0.00 C ATOM 526 CE LYS A 34 -1.253 0.261 -6.371 1.00 0.00 C ATOM 527 NZ LYS A 34 -2.114 -0.885 -6.765 1.00 0.00 N ATOM 0 H LYS A 34 -1.442 3.210 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 34 0.841 3.625 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.288 1.288 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.430 1.603 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.846 2.480 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.666 1.622 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.464 -0.493 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.028 0.283 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.698 1.188 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.280 0.164 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.410 -0.773 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.581 -1.772 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.955 -0.914 -6.154 1.00 0.00 H new ATOM 541 N ASN A 35 -2.365 4.159 -3.366 1.00 0.00 N ATOM 542 CA ASN A 35 -3.294 4.803 -4.279 1.00 0.00 C ATOM 543 C ASN A 35 -4.630 5.019 -3.589 1.00 0.00 C ATOM 544 O ASN A 35 -4.936 4.352 -2.599 1.00 0.00 O ATOM 545 CB ASN A 35 -3.479 3.924 -5.523 1.00 0.00 C ATOM 546 CG ASN A 35 -4.379 4.545 -6.575 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.400 5.763 -6.759 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.141 3.709 -7.259 1.00 0.00 N ATOM 0 H ASN A 35 -2.811 3.632 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.894 5.771 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.503 3.723 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.896 2.963 -5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.778 4.066 -7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.092 2.707 -7.075 1.00 0.00 H new ATOM 555 N CYS A 36 -5.417 5.946 -4.100 1.00 0.00 N ATOM 556 CA CYS A 36 -6.718 6.226 -3.533 1.00 0.00 C ATOM 557 C CYS A 36 -7.754 6.433 -4.630 1.00 0.00 C ATOM 558 O CYS A 36 -7.636 7.345 -5.449 1.00 0.00 O ATOM 559 CB CYS A 36 -6.645 7.457 -2.629 1.00 0.00 C ATOM 560 SG CYS A 36 -5.866 8.894 -3.406 1.00 0.00 S ATOM 0 H CYS A 36 -5.175 6.518 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.024 5.368 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.654 7.727 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.091 7.200 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.784 9.727 -3.797 1.00 0.00 H new ATOM 566 N LYS A 37 -8.746 5.566 -4.664 1.00 0.00 N ATOM 567 CA LYS A 37 -9.852 5.712 -5.590 1.00 0.00 C ATOM 568 C LYS A 37 -11.044 6.293 -4.853 1.00 0.00 C ATOM 569 O LYS A 37 -11.672 5.618 -4.033 1.00 0.00 O ATOM 570 CB LYS A 37 -10.214 4.366 -6.210 1.00 0.00 C ATOM 571 CG LYS A 37 -9.079 3.730 -6.999 1.00 0.00 C ATOM 572 CD LYS A 37 -8.835 4.429 -8.329 1.00 0.00 C ATOM 573 CE LYS A 37 -10.030 4.291 -9.261 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.773 4.885 -10.602 1.00 0.00 N ATOM 0 H LYS A 37 -8.809 4.748 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.560 6.385 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.522 3.683 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.072 4.499 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.166 3.758 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.310 2.680 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.630 5.485 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.950 4.007 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.279 3.236 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.896 4.776 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.615 4.767 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.561 5.898 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.963 4.406 -11.045 1.00 0.00 H new ATOM 588 N MET A 38 -11.331 7.549 -5.119 1.00 0.00 N ATOM 589 CA MET A 38 -12.396 8.249 -4.417 1.00 0.00 C ATOM 590 C MET A 38 -13.716 8.132 -5.176 1.00 0.00 C ATOM 591 O MET A 38 -13.977 8.866 -6.128 1.00 0.00 O ATOM 592 CB MET A 38 -12.016 9.720 -4.178 1.00 0.00 C ATOM 593 CG MET A 38 -11.674 10.502 -5.440 1.00 0.00 C ATOM 594 SD MET A 38 -11.160 12.196 -5.089 1.00 0.00 S ATOM 595 CE MET A 38 -12.560 12.787 -4.143 1.00 0.00 C ATOM 0 H MET A 38 -10.843 8.111 -5.817 1.00 0.00 H new ATOM 0 HA MET A 38 -12.531 7.778 -3.443 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.843 10.217 -3.672 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.161 9.755 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.876 9.988 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.542 10.519 -6.099 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.543 13.876 -4.110 1.00 0.00 H new ATOM 0 HE2 MET A 38 -13.484 12.453 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.506 12.392 -3.128 1.00 0.00 H new ATOM 605 N ILE A 39 -14.555 7.208 -4.737 1.00 0.00 N ATOM 606 CA ILE A 39 -15.820 6.965 -5.405 1.00 0.00 C ATOM 607 C ILE A 39 -16.923 7.793 -4.761 1.00 0.00 C ATOM 608 O ILE A 39 -17.634 7.329 -3.866 1.00 0.00 O ATOM 609 CB ILE A 39 -16.219 5.475 -5.365 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.062 4.585 -5.840 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.458 5.244 -6.223 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.638 4.834 -7.272 1.00 0.00 C ATOM 0 H ILE A 39 -14.383 6.617 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.692 7.256 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.448 5.206 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.204 4.743 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.355 3.540 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.733 4.190 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.282 5.846 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.246 5.531 -7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.816 4.166 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.480 4.648 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.312 5.868 -7.380 1.00 0.00 H new ATOM 624 N MET A 40 -17.047 9.027 -5.208 1.00 0.00 N ATOM 625 CA MET A 40 -18.100 9.905 -4.731 1.00 0.00 C ATOM 626 C MET A 40 -19.354 9.681 -5.548 1.00 0.00 C ATOM 627 O MET A 40 -19.280 9.464 -6.760 1.00 0.00 O ATOM 628 CB MET A 40 -17.656 11.365 -4.821 1.00 0.00 C ATOM 629 CG MET A 40 -16.517 11.706 -3.874 1.00 0.00 C ATOM 630 SD MET A 40 -16.976 11.506 -2.140 1.00 0.00 S ATOM 631 CE MET A 40 -15.418 11.868 -1.338 1.00 0.00 C ATOM 0 H MET A 40 -16.430 9.447 -5.903 1.00 0.00 H new ATOM 0 HA MET A 40 -18.311 9.677 -3.686 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.346 11.581 -5.843 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.507 12.010 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.661 11.068 -4.096 1.00 0.00 H new ATOM 0 HG3 MET A 40 -16.201 12.735 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.537 11.786 -0.258 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.662 11.158 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.104 12.880 -1.593 1.00 0.00 H new ATOM 641 N ASP A 41 -20.500 9.715 -4.884 1.00 0.00 N ATOM 642 CA ASP A 41 -21.770 9.476 -5.550 1.00 0.00 C ATOM 643 C ASP A 41 -22.015 10.543 -6.610 1.00 0.00 C ATOM 644 O ASP A 41 -21.835 11.735 -6.368 1.00 0.00 O ATOM 645 CB ASP A 41 -22.918 9.436 -4.535 1.00 0.00 C ATOM 646 CG ASP A 41 -23.236 10.781 -3.916 1.00 0.00 C ATOM 647 OD1 ASP A 41 -22.551 11.172 -2.945 1.00 0.00 O ATOM 648 OD2 ASP A 41 -24.199 11.432 -4.370 1.00 0.00 O ATOM 0 H ASP A 41 -20.576 9.906 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 41 -21.728 8.504 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -23.812 9.053 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.665 8.733 -3.742 1.00 0.00 H new ATOM 653 N THR A 42 -22.391 10.098 -7.798 1.00 0.00 N ATOM 654 CA THR A 42 -22.535 10.997 -8.928 1.00 0.00 C ATOM 655 C THR A 42 -23.928 11.632 -8.948 1.00 0.00 C ATOM 656 O THR A 42 -24.114 12.724 -9.487 1.00 0.00 O ATOM 657 CB THR A 42 -22.252 10.253 -10.257 1.00 0.00 C ATOM 658 OG1 THR A 42 -22.007 11.188 -11.311 1.00 0.00 O ATOM 659 CG2 THR A 42 -23.407 9.334 -10.645 1.00 0.00 C ATOM 0 H THR A 42 -22.601 9.121 -8.003 1.00 0.00 H new ATOM 0 HA THR A 42 -21.802 11.797 -8.820 1.00 0.00 H new ATOM 0 HB THR A 42 -21.365 9.639 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.828 10.703 -12.144 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.172 8.830 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.560 8.591 -9.862 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.315 9.924 -10.768 1.00 0.00 H new ATOM 667 N ALA A 43 -24.891 10.945 -8.333 1.00 0.00 N ATOM 668 CA ALA A 43 -26.276 11.416 -8.269 1.00 0.00 C ATOM 669 C ALA A 43 -27.117 10.478 -7.409 1.00 0.00 C ATOM 670 O ALA A 43 -28.335 10.395 -7.560 1.00 0.00 O ATOM 671 CB ALA A 43 -26.877 11.520 -9.664 1.00 0.00 C ATOM 0 H ALA A 43 -24.735 10.051 -7.867 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.276 12.408 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.906 11.872 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -26.294 12.223 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -26.861 10.540 -10.141 1.00 0.00 H new ATOM 677 N GLY A 44 -26.457 9.794 -6.489 1.00 0.00 N ATOM 678 CA GLY A 44 -27.106 8.759 -5.711 1.00 0.00 C ATOM 679 C GLY A 44 -26.136 7.650 -5.371 1.00 0.00 C ATOM 680 O GLY A 44 -24.970 7.726 -5.759 1.00 0.00 O ATOM 0 H GLY A 44 -25.473 9.939 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.510 9.188 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -27.948 8.352 -6.271 1.00 0.00 H new ATOM 684 N ASN A 45 -26.630 6.614 -4.690 1.00 0.00 N ATOM 685 CA ASN A 45 -25.794 5.519 -4.166 1.00 0.00 C ATOM 686 C ASN A 45 -25.046 5.976 -2.918 1.00 0.00 C ATOM 687 O ASN A 45 -25.043 7.161 -2.574 1.00 0.00 O ATOM 688 CB ASN A 45 -24.781 5.000 -5.204 1.00 0.00 C ATOM 689 CG ASN A 45 -25.422 4.278 -6.374 1.00 0.00 C ATOM 690 OD1 ASN A 45 -25.600 3.060 -6.349 1.00 0.00 O ATOM 691 ND2 ASN A 45 -25.754 5.025 -7.415 1.00 0.00 N ATOM 0 H ASN A 45 -27.623 6.506 -4.483 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.469 4.699 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -24.199 5.840 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -24.082 4.325 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -26.175 4.594 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -25.589 6.031 -7.394 1.00 0.00 H new ATOM 698 N ASP A 46 -24.428 5.029 -2.231 1.00 0.00 N ATOM 699 CA ASP A 46 -23.640 5.334 -1.045 1.00 0.00 C ATOM 700 C ASP A 46 -22.190 5.595 -1.439 1.00 0.00 C ATOM 701 O ASP A 46 -21.627 4.877 -2.258 1.00 0.00 O ATOM 702 CB ASP A 46 -23.733 4.190 -0.022 1.00 0.00 C ATOM 703 CG ASP A 46 -23.136 2.881 -0.512 1.00 0.00 C ATOM 704 OD1 ASP A 46 -22.069 2.477 0.002 1.00 0.00 O ATOM 705 OD2 ASP A 46 -23.741 2.237 -1.394 1.00 0.00 O ATOM 0 H ASP A 46 -24.456 4.039 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 46 -24.041 6.233 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.224 4.491 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -24.780 4.028 0.234 1.00 0.00 H new ATOM 710 N PRO A 47 -21.585 6.660 -0.890 1.00 0.00 N ATOM 711 CA PRO A 47 -20.209 7.042 -1.201 1.00 0.00 C ATOM 712 C PRO A 47 -19.187 6.217 -0.429 1.00 0.00 C ATOM 713 O PRO A 47 -19.371 5.923 0.755 1.00 0.00 O ATOM 714 CB PRO A 47 -20.128 8.517 -0.773 1.00 0.00 C ATOM 715 CG PRO A 47 -21.494 8.883 -0.279 1.00 0.00 C ATOM 716 CD PRO A 47 -22.188 7.594 0.060 1.00 0.00 C ATOM 0 HA PRO A 47 -19.979 6.877 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.381 8.655 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.834 9.150 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.429 9.530 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -22.047 9.432 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.010 7.295 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.268 7.666 -0.070 1.00 0.00 H new ATOM 724 N TYR A 48 -18.107 5.857 -1.102 1.00 0.00 N ATOM 725 CA TYR A 48 -17.057 5.049 -0.499 1.00 0.00 C ATOM 726 C TYR A 48 -15.725 5.315 -1.186 1.00 0.00 C ATOM 727 O TYR A 48 -15.680 5.924 -2.252 1.00 0.00 O ATOM 728 CB TYR A 48 -17.413 3.557 -0.567 1.00 0.00 C ATOM 729 CG TYR A 48 -17.834 3.073 -1.938 1.00 0.00 C ATOM 730 CD1 TYR A 48 -19.142 3.228 -2.369 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.932 2.455 -2.794 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.546 2.785 -3.609 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.327 2.010 -4.042 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.636 2.176 -4.444 1.00 0.00 C ATOM 735 OH TYR A 48 -19.036 1.727 -5.681 1.00 0.00 O ATOM 0 H TYR A 48 -17.933 6.113 -2.074 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.967 5.328 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.551 2.976 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.219 3.357 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.860 3.706 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.907 2.320 -2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.571 2.915 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.614 1.535 -4.699 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.273 1.323 -6.145 1.00 0.00 H new ATOM 745 N CYS A 49 -14.643 4.867 -0.576 1.00 0.00 N ATOM 746 CA CYS A 49 -13.323 5.100 -1.126 1.00 0.00 C ATOM 747 C CYS A 49 -12.488 3.827 -1.089 1.00 0.00 C ATOM 748 O CYS A 49 -12.565 3.046 -0.137 1.00 0.00 O ATOM 749 CB CYS A 49 -12.617 6.219 -0.353 1.00 0.00 C ATOM 750 SG CYS A 49 -11.033 6.726 -1.064 1.00 0.00 S ATOM 0 H CYS A 49 -14.653 4.341 0.298 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.435 5.405 -2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.276 7.086 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.453 5.889 0.673 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.951 6.299 -2.289 1.00 0.00 H new ATOM 756 N PHE A 50 -11.716 3.616 -2.143 1.00 0.00 N ATOM 757 CA PHE A 50 -10.791 2.499 -2.210 1.00 0.00 C ATOM 758 C PHE A 50 -9.380 2.975 -1.899 1.00 0.00 C ATOM 759 O PHE A 50 -8.749 3.634 -2.727 1.00 0.00 O ATOM 760 CB PHE A 50 -10.804 1.860 -3.597 1.00 0.00 C ATOM 761 CG PHE A 50 -12.062 1.112 -3.916 1.00 0.00 C ATOM 762 CD1 PHE A 50 -13.022 1.661 -4.750 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.279 -0.149 -3.388 1.00 0.00 C ATOM 764 CE1 PHE A 50 -14.176 0.965 -5.050 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.432 -0.849 -3.683 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.382 -0.292 -4.515 1.00 0.00 C ATOM 0 H PHE A 50 -11.713 4.211 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.106 1.758 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.658 2.639 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.958 1.177 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.866 2.644 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.538 -0.590 -2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.917 1.403 -5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.590 -1.831 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.285 -0.838 -4.747 1.00 0.00 H new ATOM 776 N VAL A 51 -8.891 2.661 -0.713 1.00 0.00 N ATOM 777 CA VAL A 51 -7.537 3.034 -0.340 1.00 0.00 C ATOM 778 C VAL A 51 -6.598 1.840 -0.468 1.00 0.00 C ATOM 779 O VAL A 51 -6.815 0.790 0.138 1.00 0.00 O ATOM 780 CB VAL A 51 -7.462 3.623 1.089 1.00 0.00 C ATOM 781 CG1 VAL A 51 -8.100 5.002 1.130 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.130 2.702 2.103 1.00 0.00 C ATOM 0 H VAL A 51 -9.407 2.152 0.005 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.220 3.815 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.409 3.713 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.039 5.401 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.574 5.667 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.146 4.928 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.060 3.144 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.179 2.569 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.629 1.734 2.100 1.00 0.00 H new ATOM 792 N GLU A 52 -5.574 2.000 -1.288 1.00 0.00 N ATOM 793 CA GLU A 52 -4.620 0.933 -1.532 1.00 0.00 C ATOM 794 C GLU A 52 -3.348 1.147 -0.724 1.00 0.00 C ATOM 795 O GLU A 52 -2.844 2.267 -0.623 1.00 0.00 O ATOM 796 CB GLU A 52 -4.272 0.851 -3.021 1.00 0.00 C ATOM 797 CG GLU A 52 -5.461 0.549 -3.914 1.00 0.00 C ATOM 798 CD GLU A 52 -5.058 0.324 -5.355 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.560 -0.780 -5.670 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.238 1.240 -6.179 1.00 0.00 O ATOM 0 H GLU A 52 -5.382 2.862 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.083 -0.004 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.827 1.796 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.516 0.079 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.976 -0.336 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.170 1.376 -3.863 1.00 0.00 H new ATOM 807 N PHE A 53 -2.840 0.071 -0.153 1.00 0.00 N ATOM 808 CA PHE A 53 -1.581 0.103 0.574 1.00 0.00 C ATOM 809 C PHE A 53 -0.497 -0.573 -0.249 1.00 0.00 C ATOM 810 O PHE A 53 -0.765 -1.099 -1.325 1.00 0.00 O ATOM 811 CB PHE A 53 -1.715 -0.619 1.918 1.00 0.00 C ATOM 812 CG PHE A 53 -2.496 0.133 2.956 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.873 0.248 2.865 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.847 0.712 4.034 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.587 0.930 3.827 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.558 1.397 4.998 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.929 1.504 4.895 1.00 0.00 C ATOM 0 H PHE A 53 -3.285 -0.847 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.315 1.144 0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.193 -1.584 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.717 -0.821 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.393 -0.201 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.774 0.626 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.661 1.015 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.041 1.849 5.832 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.487 2.037 5.650 1.00 0.00 H new ATOM 827 N HIS A 54 0.727 -0.538 0.252 1.00 0.00 N ATOM 828 CA HIS A 54 1.810 -1.323 -0.334 1.00 0.00 C ATOM 829 C HIS A 54 2.013 -2.581 0.483 1.00 0.00 C ATOM 830 O HIS A 54 2.693 -3.516 0.064 1.00 0.00 O ATOM 831 CB HIS A 54 3.124 -0.540 -0.361 1.00 0.00 C ATOM 832 CG HIS A 54 3.132 0.628 -1.299 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.002 0.502 -2.666 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.270 1.952 -1.061 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.063 1.696 -3.225 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.223 2.593 -2.273 1.00 0.00 N ATOM 0 H HIS A 54 0.999 0.022 1.060 1.00 0.00 H new ATOM 0 HA HIS A 54 1.531 -1.565 -1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.340 -0.183 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.931 -1.218 -0.639 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.394 2.419 -0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.994 1.903 -4.283 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.299 3.600 -2.414 1.00 0.00 H new ATOM 845 N GLU A 55 1.394 -2.596 1.649 1.00 0.00 N ATOM 846 CA GLU A 55 1.661 -3.612 2.635 1.00 0.00 C ATOM 847 C GLU A 55 0.352 -4.117 3.238 1.00 0.00 C ATOM 848 O GLU A 55 -0.411 -3.346 3.822 1.00 0.00 O ATOM 849 CB GLU A 55 2.568 -3.004 3.702 1.00 0.00 C ATOM 850 CG GLU A 55 3.674 -3.929 4.159 1.00 0.00 C ATOM 851 CD GLU A 55 3.140 -5.086 4.964 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.261 -6.243 4.516 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.564 -4.830 6.037 1.00 0.00 O ATOM 0 H GLU A 55 0.698 -1.907 1.933 1.00 0.00 H new ATOM 0 HA GLU A 55 2.158 -4.469 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.011 -2.088 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.963 -2.723 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.212 -4.308 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.391 -3.369 4.759 1.00 0.00 H new ATOM 860 N HIS A 56 0.097 -5.413 3.094 1.00 0.00 N ATOM 861 CA HIS A 56 -1.180 -5.997 3.499 1.00 0.00 C ATOM 862 C HIS A 56 -1.266 -6.169 5.015 1.00 0.00 C ATOM 863 O HIS A 56 -2.342 -6.038 5.595 1.00 0.00 O ATOM 864 CB HIS A 56 -1.398 -7.342 2.792 1.00 0.00 C ATOM 865 CG HIS A 56 -2.686 -8.019 3.158 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.907 -7.674 2.610 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.940 -9.025 4.027 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.850 -8.431 3.136 1.00 0.00 C ATOM 869 NE2 HIS A 56 -4.291 -9.260 3.994 1.00 0.00 N ATOM 0 H HIS A 56 0.758 -6.082 2.699 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.970 -5.308 3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.376 -7.182 1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.568 -8.007 3.033 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.055 -6.948 1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.214 -9.546 4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.903 -8.380 2.903 1.00 0.00 H new ATOM 878 N ARG A 57 -0.140 -6.460 5.651 1.00 0.00 N ATOM 879 CA ARG A 57 -0.106 -6.632 7.103 1.00 0.00 C ATOM 880 C ARG A 57 -0.432 -5.312 7.800 1.00 0.00 C ATOM 881 O ARG A 57 -1.108 -5.283 8.826 1.00 0.00 O ATOM 882 CB ARG A 57 1.265 -7.145 7.545 1.00 0.00 C ATOM 883 CG ARG A 57 1.398 -7.353 9.044 1.00 0.00 C ATOM 884 CD ARG A 57 2.800 -7.807 9.404 1.00 0.00 C ATOM 885 NE ARG A 57 2.966 -8.011 10.839 1.00 0.00 N ATOM 886 CZ ARG A 57 4.134 -8.282 11.416 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.233 -8.370 10.679 1.00 0.00 N ATOM 888 NH2 ARG A 57 4.197 -8.459 12.726 1.00 0.00 N ATOM 0 H ARG A 57 0.761 -6.582 5.189 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.858 -7.368 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.468 -8.089 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.028 -6.438 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.166 -6.425 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.674 -8.096 9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.025 -8.736 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.519 -7.064 9.060 1.00 0.00 H new ATOM 0 HE ARG A 57 2.140 -7.942 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.183 -8.230 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.128 -8.578 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.351 -8.388 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.091 -8.667 13.170 1.00 0.00 H new ATOM 902 N HIS A 58 0.036 -4.220 7.213 1.00 0.00 N ATOM 903 CA HIS A 58 -0.253 -2.892 7.734 1.00 0.00 C ATOM 904 C HIS A 58 -1.693 -2.523 7.431 1.00 0.00 C ATOM 905 O HIS A 58 -2.357 -1.850 8.217 1.00 0.00 O ATOM 906 CB HIS A 58 0.696 -1.858 7.131 1.00 0.00 C ATOM 907 CG HIS A 58 2.046 -1.842 7.771 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.105 -2.603 7.332 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.513 -1.121 8.811 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.165 -2.346 8.073 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.830 -1.450 8.980 1.00 0.00 N ATOM 0 H HIS A 58 0.618 -4.228 6.375 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.106 -2.901 8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.810 -2.059 6.066 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.248 -0.869 7.222 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.075 -3.263 6.555 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.950 -0.414 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.141 -2.793 7.957 1.00 0.00 H new ATOM 920 N ALA A 59 -2.170 -2.986 6.286 1.00 0.00 N ATOM 921 CA ALA A 59 -3.553 -2.784 5.886 1.00 0.00 C ATOM 922 C ALA A 59 -4.502 -3.468 6.868 1.00 0.00 C ATOM 923 O ALA A 59 -5.608 -2.990 7.120 1.00 0.00 O ATOM 924 CB ALA A 59 -3.760 -3.321 4.480 1.00 0.00 C ATOM 0 H ALA A 59 -1.612 -3.510 5.611 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.773 -1.716 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.797 -3.169 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.102 -2.794 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.529 -4.386 4.460 1.00 0.00 H new ATOM 930 N ALA A 60 -4.051 -4.590 7.417 1.00 0.00 N ATOM 931 CA ALA A 60 -4.810 -5.327 8.416 1.00 0.00 C ATOM 932 C ALA A 60 -4.988 -4.499 9.681 1.00 0.00 C ATOM 933 O ALA A 60 -6.102 -4.350 10.189 1.00 0.00 O ATOM 934 CB ALA A 60 -4.108 -6.635 8.740 1.00 0.00 C ATOM 0 H ALA A 60 -3.152 -5.012 7.182 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.798 -5.543 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.683 -7.181 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.026 -7.238 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.111 -6.426 9.129 1.00 0.00 H new ATOM 940 N ALA A 61 -3.882 -3.963 10.183 1.00 0.00 N ATOM 941 CA ALA A 61 -3.903 -3.135 11.382 1.00 0.00 C ATOM 942 C ALA A 61 -4.735 -1.882 11.150 1.00 0.00 C ATOM 943 O ALA A 61 -5.477 -1.443 12.029 1.00 0.00 O ATOM 944 CB ALA A 61 -2.485 -2.769 11.798 1.00 0.00 C ATOM 0 H ALA A 61 -2.955 -4.088 9.776 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.362 -3.705 12.190 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.517 -2.150 12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.920 -3.678 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.001 -2.216 10.993 1.00 0.00 H new ATOM 950 N ALA A 62 -4.614 -1.323 9.953 1.00 0.00 N ATOM 951 CA ALA A 62 -5.390 -0.155 9.571 1.00 0.00 C ATOM 952 C ALA A 62 -6.878 -0.455 9.652 1.00 0.00 C ATOM 953 O ALA A 62 -7.649 0.324 10.207 1.00 0.00 O ATOM 954 CB ALA A 62 -5.013 0.296 8.169 1.00 0.00 C ATOM 0 H ALA A 62 -3.982 -1.663 9.228 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.164 0.653 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.603 1.172 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.953 0.549 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.212 -0.509 7.462 1.00 0.00 H new ATOM 960 N LEU A 63 -7.267 -1.602 9.115 1.00 0.00 N ATOM 961 CA LEU A 63 -8.660 -2.023 9.136 1.00 0.00 C ATOM 962 C LEU A 63 -9.144 -2.225 10.571 1.00 0.00 C ATOM 963 O LEU A 63 -10.231 -1.784 10.930 1.00 0.00 O ATOM 964 CB LEU A 63 -8.840 -3.311 8.315 1.00 0.00 C ATOM 965 CG LEU A 63 -10.242 -3.928 8.352 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.665 -4.372 6.966 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.282 -5.111 9.308 1.00 0.00 C ATOM 0 H LEU A 63 -6.635 -2.260 8.658 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.265 -1.237 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.583 -3.098 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.126 -4.052 8.674 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.937 -3.167 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.663 -4.808 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.675 -3.512 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.962 -5.116 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.286 -5.535 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.572 -5.869 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.017 -4.777 10.311 1.00 0.00 H new ATOM 979 N ALA A 64 -8.321 -2.871 11.388 1.00 0.00 N ATOM 980 CA ALA A 64 -8.691 -3.183 12.766 1.00 0.00 C ATOM 981 C ALA A 64 -8.956 -1.922 13.586 1.00 0.00 C ATOM 982 O ALA A 64 -9.790 -1.927 14.492 1.00 0.00 O ATOM 983 CB ALA A 64 -7.605 -4.023 13.426 1.00 0.00 C ATOM 0 H ALA A 64 -7.390 -3.190 11.121 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.619 -3.754 12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.893 -4.249 14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.477 -4.953 12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.666 -3.469 13.426 1.00 0.00 H new ATOM 989 N ALA A 65 -8.247 -0.848 13.272 1.00 0.00 N ATOM 990 CA ALA A 65 -8.392 0.397 14.013 1.00 0.00 C ATOM 991 C ALA A 65 -9.438 1.319 13.386 1.00 0.00 C ATOM 992 O ALA A 65 -10.155 2.026 14.094 1.00 0.00 O ATOM 993 CB ALA A 65 -7.051 1.108 14.103 1.00 0.00 C ATOM 0 H ALA A 65 -7.568 -0.813 12.512 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.739 0.146 15.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.169 2.038 14.659 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.333 0.467 14.616 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.688 1.329 13.099 1.00 0.00 H new ATOM 999 N MET A 66 -9.525 1.305 12.058 1.00 0.00 N ATOM 1000 CA MET A 66 -10.399 2.230 11.339 1.00 0.00 C ATOM 1001 C MET A 66 -11.815 1.691 11.176 1.00 0.00 C ATOM 1002 O MET A 66 -12.755 2.461 10.992 1.00 0.00 O ATOM 1003 CB MET A 66 -9.815 2.568 9.965 1.00 0.00 C ATOM 1004 CG MET A 66 -8.618 3.498 10.025 1.00 0.00 C ATOM 1005 SD MET A 66 -9.043 5.135 10.649 1.00 0.00 S ATOM 1006 CE MET A 66 -10.215 5.678 9.406 1.00 0.00 C ATOM 0 H MET A 66 -9.003 0.666 11.459 1.00 0.00 H new ATOM 0 HA MET A 66 -10.458 3.134 11.944 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.522 1.644 9.467 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.591 3.028 9.353 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.852 3.058 10.663 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.187 3.594 9.029 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.287 6.765 9.424 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.878 5.353 8.422 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.194 5.246 9.615 1.00 0.00 H new ATOM 1016 N ASN A 67 -11.979 0.378 11.231 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.302 -0.214 11.068 1.00 0.00 C ATOM 1018 C ASN A 67 -14.173 0.108 12.274 1.00 0.00 C ATOM 1019 O ASN A 67 -13.932 -0.387 13.374 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.201 -1.730 10.885 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.528 -2.362 10.515 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.359 -1.743 9.845 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -14.735 -3.593 10.950 1.00 0.00 N ATOM 0 H ASN A 67 -11.225 -0.292 11.385 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.759 0.211 10.174 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.469 -1.951 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.833 -2.180 11.807 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.611 -4.070 10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.019 -4.066 11.501 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.181 0.945 12.066 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.037 1.355 13.160 1.00 0.00 C ATOM 1032 C GLY A 68 -15.606 2.679 13.758 1.00 0.00 C ATOM 1033 O GLY A 68 -16.097 3.081 14.813 1.00 0.00 O ATOM 0 H GLY A 68 -15.420 1.347 11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.064 1.436 12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.027 0.588 13.934 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.680 3.352 13.083 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.178 4.641 13.539 1.00 0.00 C ATOM 1039 C ARG A 69 -15.190 5.733 13.198 1.00 0.00 C ATOM 1040 O ARG A 69 -16.112 5.508 12.411 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.830 4.933 12.867 1.00 0.00 C ATOM 1042 CG ARG A 69 -11.992 5.994 13.562 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.436 5.486 14.881 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.438 6.396 15.440 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.752 6.159 16.556 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -9.999 5.075 17.285 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.824 7.021 16.948 1.00 0.00 N ATOM 0 H ARG A 69 -14.261 3.023 12.213 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.035 4.619 14.619 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.255 4.008 12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.012 5.248 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.171 6.295 12.911 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.600 6.881 13.739 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.251 5.359 15.594 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.988 4.504 14.732 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.256 7.268 14.943 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.720 4.416 16.991 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.468 4.902 18.138 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.640 7.859 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.294 6.847 17.802 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.028 6.909 13.779 1.00 0.00 N ATOM 1062 CA LYS A 70 -15.961 7.996 13.540 1.00 0.00 C ATOM 1063 C LYS A 70 -15.241 9.189 12.923 1.00 0.00 C ATOM 1064 O LYS A 70 -14.476 9.882 13.595 1.00 0.00 O ATOM 1065 CB LYS A 70 -16.644 8.413 14.845 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.125 8.722 14.683 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.908 7.472 14.306 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.395 7.754 14.152 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.012 8.214 15.424 1.00 0.00 N ATOM 0 H LYS A 70 -14.264 7.135 14.416 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.723 7.647 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.525 7.616 15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.139 9.292 15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.517 9.134 15.613 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.259 9.484 13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.517 7.068 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.761 6.708 15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.542 8.513 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.901 6.851 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.048 8.199 15.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.724 7.582 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.697 9.183 15.632 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.477 9.417 11.639 1.00 0.00 N ATOM 1084 CA ILE A 71 -14.874 10.545 10.940 1.00 0.00 C ATOM 1085 C ILE A 71 -15.968 11.483 10.442 1.00 0.00 C ATOM 1086 O ILE A 71 -16.882 11.051 9.741 1.00 0.00 O ATOM 1087 CB ILE A 71 -13.989 10.100 9.740 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -12.732 9.353 10.208 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.587 11.297 8.888 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.978 7.919 10.630 1.00 0.00 C ATOM 0 H ILE A 71 -16.082 8.836 11.059 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.226 11.057 11.652 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.588 9.417 9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.998 9.361 9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.292 9.895 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.969 10.960 8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.482 11.785 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.022 12.003 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.038 7.466 10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.686 7.900 11.458 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.387 7.358 9.790 1.00 0.00 H new ATOM 1102 N MET A 72 -15.883 12.754 10.834 1.00 0.00 N ATOM 1103 CA MET A 72 -16.875 13.763 10.450 1.00 0.00 C ATOM 1104 C MET A 72 -18.251 13.433 11.019 1.00 0.00 C ATOM 1105 O MET A 72 -19.266 13.959 10.561 1.00 0.00 O ATOM 1106 CB MET A 72 -16.951 13.912 8.922 1.00 0.00 C ATOM 1107 CG MET A 72 -15.946 14.899 8.355 1.00 0.00 C ATOM 1108 SD MET A 72 -16.218 16.576 8.960 1.00 0.00 S ATOM 1109 CE MET A 72 -14.997 17.486 8.014 1.00 0.00 C ATOM 0 H MET A 72 -15.131 13.113 11.422 1.00 0.00 H new ATOM 0 HA MET A 72 -16.551 14.714 10.873 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.789 12.937 8.462 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.956 14.231 8.646 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.938 14.579 8.618 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.008 14.893 7.267 1.00 0.00 H new ATOM 0 HE1 MET A 72 -15.044 18.542 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.002 17.100 8.237 1.00 0.00 H new ATOM 0 HE3 MET A 72 -15.201 17.370 6.950 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.277 12.574 12.028 1.00 0.00 N ATOM 1120 CA GLY A 73 -19.535 12.154 12.614 1.00 0.00 C ATOM 1121 C GLY A 73 -20.128 10.951 11.904 1.00 0.00 C ATOM 1122 O GLY A 73 -21.151 10.413 12.324 1.00 0.00 O ATOM 0 H GLY A 73 -17.448 12.159 12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.381 11.913 13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.244 12.981 12.577 1.00 0.00 H new ATOM 1126 N LYS A 74 -19.482 10.526 10.827 1.00 0.00 N ATOM 1127 CA LYS A 74 -19.950 9.385 10.053 1.00 0.00 C ATOM 1128 C LYS A 74 -19.332 8.101 10.581 1.00 0.00 C ATOM 1129 O LYS A 74 -18.148 8.071 10.932 1.00 0.00 O ATOM 1130 CB LYS A 74 -19.611 9.548 8.563 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.501 10.537 7.812 1.00 0.00 C ATOM 1132 CD LYS A 74 -20.333 11.954 8.327 1.00 0.00 C ATOM 1133 CE LYS A 74 -21.256 12.926 7.617 1.00 0.00 C ATOM 1134 NZ LYS A 74 -21.193 14.279 8.226 1.00 0.00 N ATOM 0 H LYS A 74 -18.629 10.956 10.469 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.034 9.334 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.574 9.872 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.684 8.574 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.261 10.506 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.544 10.236 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.535 11.978 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.299 12.270 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.982 12.987 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.280 12.554 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.145 14.569 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.560 14.259 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.830 14.958 7.527 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.142 7.059 10.666 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.660 5.749 11.065 1.00 0.00 C ATOM 1150 C GLU A 75 -19.034 5.062 9.865 1.00 0.00 C ATOM 1151 O GLU A 75 -19.738 4.606 8.966 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.833 4.924 11.598 1.00 0.00 C ATOM 1153 CG GLU A 75 -20.484 3.504 12.004 1.00 0.00 C ATOM 1154 CD GLU A 75 -21.723 2.663 12.226 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.991 1.767 11.400 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.449 2.914 13.212 1.00 0.00 O ATOM 0 H GLU A 75 -21.141 7.096 10.463 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.909 5.847 11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.258 5.439 12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -21.609 4.887 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.867 3.046 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.889 3.523 12.917 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.720 4.971 9.861 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.014 4.425 8.719 1.00 0.00 C ATOM 1165 C VAL A 76 -16.929 2.912 8.825 1.00 0.00 C ATOM 1166 O VAL A 76 -16.863 2.351 9.922 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.594 5.005 8.584 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.638 6.522 8.539 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.713 4.523 9.717 1.00 0.00 C ATOM 0 H VAL A 76 -17.121 5.266 10.632 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.580 4.705 7.831 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.165 4.651 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.625 6.913 8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.233 6.844 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.088 6.900 9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.714 4.943 9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.137 4.843 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.654 3.435 9.694 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.944 2.259 7.684 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.866 0.815 7.640 1.00 0.00 C ATOM 1181 C LYS A 77 -15.748 0.387 6.719 1.00 0.00 C ATOM 1182 O LYS A 77 -15.729 0.751 5.545 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.198 0.228 7.182 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.353 0.613 8.088 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.653 -0.039 7.648 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.787 0.277 8.609 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.093 1.731 8.654 1.00 0.00 N ATOM 0 H LYS A 77 -17.010 2.707 6.770 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.654 0.439 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.409 0.567 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.118 -0.858 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.126 0.318 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.471 1.697 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.915 0.307 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.517 -1.119 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.680 -0.272 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.522 -0.068 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.941 2.088 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.468 2.238 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.084 1.886 8.380 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.814 -0.370 7.261 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.644 -0.784 6.513 1.00 0.00 C ATOM 1203 C VAL A 78 -13.662 -2.290 6.304 1.00 0.00 C ATOM 1204 O VAL A 78 -13.748 -3.058 7.263 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.340 -0.381 7.234 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.128 -0.683 6.365 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.368 1.090 7.620 1.00 0.00 C ATOM 0 H VAL A 78 -14.844 -0.712 8.221 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.673 -0.278 5.548 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.262 -0.972 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.220 -0.391 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.094 -1.750 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.201 -0.124 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.439 1.351 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.476 1.700 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.210 1.275 8.288 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.602 -2.701 5.052 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.591 -4.114 4.703 1.00 0.00 C ATOM 1219 C ASN A 79 -12.557 -4.369 3.614 1.00 0.00 C ATOM 1220 O ASN A 79 -12.212 -3.464 2.855 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.980 -4.548 4.224 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.063 -6.032 3.921 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -14.376 -6.845 4.538 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.909 -6.395 2.973 1.00 0.00 N ATOM 0 H ASN A 79 -13.560 -2.072 4.250 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.327 -4.697 5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.717 -4.296 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.243 -3.984 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.010 -7.380 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.461 -5.690 2.485 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.053 -5.590 3.553 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.083 -5.969 2.538 1.00 0.00 C ATOM 1233 C TRP A 80 -11.743 -6.019 1.167 1.00 0.00 C ATOM 1234 O TRP A 80 -12.681 -6.788 0.950 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.469 -7.335 2.858 1.00 0.00 C ATOM 1236 CG TRP A 80 -9.752 -7.391 4.172 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -9.013 -6.398 4.744 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.690 -8.504 5.069 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -8.501 -6.823 5.946 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.903 -8.113 6.169 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -10.228 -9.792 5.052 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -8.637 -8.965 7.237 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -9.966 -10.637 6.114 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -9.178 -10.220 7.194 1.00 0.00 C ATOM 0 H TRP A 80 -12.301 -6.340 4.198 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.293 -5.219 2.531 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.259 -8.086 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.772 -7.603 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -8.853 -5.420 4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -7.916 -6.268 6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.838 -10.122 4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.026 -8.647 8.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -10.376 -11.636 6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -8.994 -10.904 8.010 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.258 -5.198 0.248 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.773 -5.192 -1.109 1.00 0.00 C ATOM 1257 C ALA A 81 -10.964 -6.148 -1.973 1.00 0.00 C ATOM 1258 O ALA A 81 -9.820 -5.863 -2.333 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.751 -3.785 -1.688 1.00 0.00 C ATOM 0 H ALA A 81 -10.508 -4.528 0.419 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.810 -5.528 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.141 -3.804 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.369 -3.129 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.727 -3.412 -1.699 1.00 0.00 H new ATOM 1265 N THR A 82 -11.551 -7.290 -2.279 1.00 0.00 N ATOM 1266 CA THR A 82 -10.870 -8.308 -3.054 1.00 0.00 C ATOM 1267 C THR A 82 -11.044 -8.059 -4.544 1.00 0.00 C ATOM 1268 O THR A 82 -12.127 -7.684 -4.995 1.00 0.00 O ATOM 1269 CB THR A 82 -11.418 -9.704 -2.727 1.00 0.00 C ATOM 1270 OG1 THR A 82 -11.659 -9.819 -1.316 1.00 0.00 O ATOM 1271 CG2 THR A 82 -10.440 -10.782 -3.167 1.00 0.00 C ATOM 0 H THR A 82 -12.501 -7.536 -2.001 1.00 0.00 H new ATOM 0 HA THR A 82 -9.813 -8.259 -2.793 1.00 0.00 H new ATOM 0 HB THR A 82 -12.355 -9.840 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.010 -10.712 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.848 -11.764 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.279 -10.710 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.491 -10.646 -2.648 1.00 0.00 H new ATOM 1279 N THR A 83 -9.981 -8.257 -5.302 1.00 0.00 N ATOM 1280 CA THR A 83 -10.057 -8.134 -6.743 1.00 0.00 C ATOM 1281 C THR A 83 -9.527 -9.400 -7.423 1.00 0.00 C ATOM 1282 O THR A 83 -8.321 -9.654 -7.453 1.00 0.00 O ATOM 1283 CB THR A 83 -9.312 -6.872 -7.251 1.00 0.00 C ATOM 1284 OG1 THR A 83 -9.314 -6.832 -8.685 1.00 0.00 O ATOM 1285 CG2 THR A 83 -7.877 -6.813 -6.734 1.00 0.00 C ATOM 0 H THR A 83 -9.058 -8.503 -4.944 1.00 0.00 H new ATOM 0 HA THR A 83 -11.107 -8.017 -7.010 1.00 0.00 H new ATOM 0 HB THR A 83 -9.845 -6.004 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.842 -6.029 -8.991 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.390 -5.914 -7.113 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.884 -6.790 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.331 -7.692 -7.075 1.00 0.00 H new ATOM 1293 N PRO A 84 -10.440 -10.236 -7.938 1.00 0.00 N ATOM 1294 CA PRO A 84 -10.082 -11.446 -8.679 1.00 0.00 C ATOM 1295 C PRO A 84 -9.459 -11.112 -10.028 1.00 0.00 C ATOM 1296 O PRO A 84 -10.078 -10.450 -10.866 1.00 0.00 O ATOM 1297 CB PRO A 84 -11.419 -12.179 -8.867 1.00 0.00 C ATOM 1298 CG PRO A 84 -12.379 -11.498 -7.949 1.00 0.00 C ATOM 1299 CD PRO A 84 -11.893 -10.086 -7.820 1.00 0.00 C ATOM 0 HA PRO A 84 -9.340 -12.045 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.757 -12.120 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.325 -13.237 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.392 -11.527 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.407 -11.992 -6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.299 -9.444 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.179 -9.645 -6.865 1.00 0.00 H new ATOM 1307 N SER A 85 -8.235 -11.567 -10.229 1.00 0.00 N ATOM 1308 CA SER A 85 -7.502 -11.294 -11.450 1.00 0.00 C ATOM 1309 C SER A 85 -7.980 -12.203 -12.582 1.00 0.00 C ATOM 1310 O SER A 85 -7.282 -13.133 -12.995 1.00 0.00 O ATOM 1311 CB SER A 85 -5.998 -11.474 -11.208 1.00 0.00 C ATOM 1312 OG SER A 85 -5.236 -10.997 -12.306 1.00 0.00 O ATOM 0 H SER A 85 -7.724 -12.134 -9.553 1.00 0.00 H new ATOM 0 HA SER A 85 -7.688 -10.262 -11.747 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.707 -10.941 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.778 -12.529 -11.042 1.00 0.00 H new ATOM 0 HG SER A 85 -4.282 -11.124 -12.122 1.00 0.00 H new ATOM 1318 N SER A 86 -9.185 -11.937 -13.062 1.00 0.00 N ATOM 1319 CA SER A 86 -9.739 -12.658 -14.193 1.00 0.00 C ATOM 1320 C SER A 86 -9.230 -12.044 -15.494 1.00 0.00 C ATOM 1321 O SER A 86 -9.478 -10.869 -15.776 1.00 0.00 O ATOM 1322 CB SER A 86 -11.266 -12.616 -14.138 1.00 0.00 C ATOM 1323 OG SER A 86 -11.739 -13.068 -12.879 1.00 0.00 O ATOM 0 H SER A 86 -9.802 -11.220 -12.680 1.00 0.00 H new ATOM 0 HA SER A 86 -9.420 -13.699 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.613 -11.598 -14.317 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.680 -13.238 -14.931 1.00 0.00 H new ATOM 0 HG SER A 86 -12.718 -13.031 -12.865 1.00 0.00 H new ATOM 1329 N GLN A 87 -8.519 -12.839 -16.280 1.00 0.00 N ATOM 1330 CA GLN A 87 -7.846 -12.332 -17.469 1.00 0.00 C ATOM 1331 C GLN A 87 -8.138 -13.200 -18.689 1.00 0.00 C ATOM 1332 O GLN A 87 -7.502 -14.238 -18.893 1.00 0.00 O ATOM 1333 CB GLN A 87 -6.335 -12.276 -17.225 1.00 0.00 C ATOM 1334 CG GLN A 87 -5.929 -11.369 -16.071 1.00 0.00 C ATOM 1335 CD GLN A 87 -4.459 -11.485 -15.718 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -3.849 -12.542 -15.880 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -3.881 -10.399 -15.228 1.00 0.00 N ATOM 0 H GLN A 87 -8.393 -13.838 -16.117 1.00 0.00 H new ATOM 0 HA GLN A 87 -8.225 -11.330 -17.669 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.971 -13.284 -17.027 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.843 -11.933 -18.135 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.154 -10.335 -16.332 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.528 -11.615 -15.194 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.422 -9.543 -15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.895 -10.419 -14.969 1.00 0.00 H new ATOM 1346 N LYS A 88 -9.096 -12.778 -19.506 1.00 0.00 N ATOM 1347 CA LYS A 88 -9.366 -13.463 -20.765 1.00 0.00 C ATOM 1348 C LYS A 88 -8.338 -13.052 -21.811 1.00 0.00 C ATOM 1349 O LYS A 88 -8.659 -12.402 -22.804 1.00 0.00 O ATOM 1350 CB LYS A 88 -10.779 -13.175 -21.274 1.00 0.00 C ATOM 1351 CG LYS A 88 -11.881 -13.693 -20.366 1.00 0.00 C ATOM 1352 CD LYS A 88 -13.205 -13.806 -21.108 1.00 0.00 C ATOM 1353 CE LYS A 88 -13.616 -12.490 -21.748 1.00 0.00 C ATOM 1354 NZ LYS A 88 -14.842 -12.640 -22.576 1.00 0.00 N ATOM 0 H LYS A 88 -9.694 -11.972 -19.322 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.292 -14.535 -20.584 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.898 -12.098 -21.395 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.896 -13.621 -22.261 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.600 -14.669 -19.970 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.996 -13.024 -19.513 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.124 -14.573 -21.878 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.982 -14.130 -20.415 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.791 -11.746 -20.971 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.801 -12.117 -22.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.092 -11.722 -22.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.667 -13.331 -23.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.626 -12.972 -21.979 1.00 0.00 H new ATOM 1368 N LYS A 89 -7.095 -13.436 -21.557 1.00 0.00 N ATOM 1369 CA LYS A 89 -5.982 -13.140 -22.450 1.00 0.00 C ATOM 1370 C LYS A 89 -6.123 -13.934 -23.742 1.00 0.00 C ATOM 1371 O LYS A 89 -5.591 -13.555 -24.787 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.666 -13.506 -21.760 1.00 0.00 C ATOM 1373 CG LYS A 89 -4.544 -14.997 -21.483 1.00 0.00 C ATOM 1374 CD LYS A 89 -3.419 -15.318 -20.521 1.00 0.00 C ATOM 1375 CE LYS A 89 -3.261 -16.823 -20.356 1.00 0.00 C ATOM 1376 NZ LYS A 89 -4.553 -17.489 -20.024 1.00 0.00 N ATOM 0 H LYS A 89 -6.829 -13.962 -20.725 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.986 -12.076 -22.688 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.832 -13.187 -22.385 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.588 -12.958 -20.821 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.484 -15.365 -21.073 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.377 -15.525 -22.422 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.487 -14.888 -20.888 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.621 -14.861 -19.552 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.860 -17.248 -21.276 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.536 -17.027 -19.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.373 -18.473 -19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.015 -16.981 -19.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.173 -17.479 -20.859 1.00 0.00 H new ATOM 1390 N ASP A 90 -6.847 -15.038 -23.650 1.00 0.00 N ATOM 1391 CA ASP A 90 -7.019 -15.949 -24.765 1.00 0.00 C ATOM 1392 C ASP A 90 -8.426 -15.841 -25.356 1.00 0.00 C ATOM 1393 O ASP A 90 -9.196 -14.955 -24.976 1.00 0.00 O ATOM 1394 CB ASP A 90 -6.701 -17.385 -24.326 1.00 0.00 C ATOM 1395 CG ASP A 90 -7.324 -17.749 -22.992 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -8.431 -18.319 -22.986 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -6.703 -17.475 -21.939 1.00 0.00 O ATOM 0 H ASP A 90 -7.331 -15.326 -22.799 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.319 -15.670 -25.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.056 -18.079 -25.088 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.620 -17.508 -24.262 1.00 0.00 H new ATOM 1402 N THR A 91 -8.764 -16.736 -26.271 1.00 0.00 N ATOM 1403 CA THR A 91 -9.982 -16.593 -27.059 1.00 0.00 C ATOM 1404 C THR A 91 -11.215 -17.181 -26.362 1.00 0.00 C ATOM 1405 O THR A 91 -12.296 -16.582 -26.391 1.00 0.00 O ATOM 1406 CB THR A 91 -9.804 -17.252 -28.441 1.00 0.00 C ATOM 1407 OG1 THR A 91 -8.605 -16.758 -29.054 1.00 0.00 O ATOM 1408 CG2 THR A 91 -10.989 -16.958 -29.352 1.00 0.00 C ATOM 0 H THR A 91 -8.215 -17.568 -26.487 1.00 0.00 H new ATOM 0 HA THR A 91 -10.155 -15.523 -27.175 1.00 0.00 H new ATOM 0 HB THR A 91 -9.740 -18.331 -28.297 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.490 -17.178 -29.932 1.00 0.00 H new ATOM 0 HG21 THR A 91 -10.832 -17.437 -30.319 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.901 -17.345 -28.899 1.00 0.00 H new ATOM 0 HG23 THR A 91 -11.082 -15.881 -29.492 1.00 0.00 H new ATOM 1416 N SER A 92 -11.063 -18.341 -25.737 1.00 0.00 N ATOM 1417 CA SER A 92 -12.202 -19.037 -25.154 1.00 0.00 C ATOM 1418 C SER A 92 -12.656 -18.384 -23.846 1.00 0.00 C ATOM 1419 O SER A 92 -12.009 -18.604 -22.800 1.00 0.00 O ATOM 1420 CB SER A 92 -11.862 -20.508 -24.938 1.00 0.00 C ATOM 1421 OG SER A 92 -11.595 -21.151 -26.176 1.00 0.00 O ATOM 1422 OXT SER A 92 -13.687 -17.675 -23.866 1.00 0.00 O ATOM 0 H SER A 92 -10.168 -18.817 -25.621 1.00 0.00 H new ATOM 0 HA SER A 92 -13.034 -18.966 -25.854 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.994 -20.593 -24.284 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.690 -21.007 -24.435 1.00 0.00 H new ATOM 0 HG SER A 92 -11.377 -22.093 -26.015 1.00 0.00 H new TER 1428 SER A 92