USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 78 LYS NZ :NH3+ 175:sc= 0.967 (180deg=-0.0704) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.11 K(o=0.86,f=-10!) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.32 X(o=-0.09,f=0) USER MOD Set 2.2: A 74 TYR OH : rot 68:sc= 0.23 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-10!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 15 THR OG1 : rot 92:sc= -1.11 USER MOD Set 4.2: A 16 CYS SG : rot -50:sc= -2.84! USER MOD Single : A 4 THR OG1 : rot 37:sc= 0.191 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 22 THR OG1 : rot -3:sc= 0.703 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.971 USER MOD Single : A 62 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.34) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.912 F(o=-1.5,f=-0.91) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 1.034 10.957 3.625 1.00 0.00 N ATOM 46 CA THR A 4 1.064 9.839 2.660 1.00 0.00 C ATOM 47 C THR A 4 -0.183 8.930 2.803 1.00 0.00 C ATOM 48 O THR A 4 -0.770 8.518 1.800 1.00 0.00 O ATOM 49 CB THR A 4 2.359 8.983 2.832 1.00 0.00 C ATOM 50 OG1 THR A 4 3.508 9.839 2.881 1.00 0.00 O ATOM 51 CG2 THR A 4 2.539 7.983 1.676 1.00 0.00 C ATOM 0 HA THR A 4 1.059 10.279 1.663 1.00 0.00 H new ATOM 0 HB THR A 4 2.259 8.425 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.285 10.658 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.451 7.407 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.684 7.308 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.610 8.526 0.733 1.00 0.00 H new ATOM 59 N PHE A 5 -0.652 8.764 4.057 1.00 0.00 N ATOM 60 CA PHE A 5 -1.772 7.864 4.379 1.00 0.00 C ATOM 61 C PHE A 5 -3.111 8.379 3.804 1.00 0.00 C ATOM 62 O PHE A 5 -3.960 7.571 3.452 1.00 0.00 O ATOM 63 CB PHE A 5 -1.884 7.621 5.915 1.00 0.00 C ATOM 64 CG PHE A 5 -3.060 6.708 6.308 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.090 5.366 5.910 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.154 7.202 7.030 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.168 4.559 6.221 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.228 6.384 7.343 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.235 5.066 6.935 1.00 0.00 C ATOM 0 H PHE A 5 -0.266 9.248 4.868 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.557 6.908 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.955 7.178 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.995 8.581 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.260 4.956 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.161 8.234 7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.176 3.527 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.060 6.779 7.907 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.075 4.431 7.174 1.00 0.00 H new ATOM 79 N ASP A 6 -3.287 9.714 3.715 1.00 0.00 N ATOM 80 CA ASP A 6 -4.528 10.326 3.165 1.00 0.00 C ATOM 81 C ASP A 6 -4.770 9.877 1.719 1.00 0.00 C ATOM 82 O ASP A 6 -5.882 9.462 1.368 1.00 0.00 O ATOM 83 CB ASP A 6 -4.473 11.877 3.224 1.00 0.00 C ATOM 84 CG ASP A 6 -4.711 12.408 4.643 1.00 0.00 C ATOM 85 OD1 ASP A 6 -5.879 12.421 5.079 1.00 0.00 O ATOM 86 OD2 ASP A 6 -3.752 12.802 5.324 1.00 0.00 O ATOM 0 H ASP A 6 -2.589 10.394 4.015 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.354 9.983 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.501 12.219 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.223 12.292 2.551 1.00 0.00 H new ATOM 91 N ARG A 7 -3.710 9.962 0.899 1.00 0.00 N ATOM 92 CA ARG A 7 -3.751 9.570 -0.523 1.00 0.00 C ATOM 93 C ARG A 7 -3.896 8.040 -0.673 1.00 0.00 C ATOM 94 O ARG A 7 -4.720 7.577 -1.459 1.00 0.00 O ATOM 95 CB ARG A 7 -2.488 10.063 -1.268 1.00 0.00 C ATOM 96 CG ARG A 7 -2.301 11.591 -1.302 1.00 0.00 C ATOM 97 CD ARG A 7 -3.414 12.336 -2.075 1.00 0.00 C ATOM 98 NE ARG A 7 -3.074 13.771 -2.267 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.926 14.740 -2.648 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.223 14.489 -2.814 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.475 15.976 -2.835 1.00 0.00 N ATOM 0 H ARG A 7 -2.798 10.305 1.202 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.625 10.043 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.611 9.616 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.523 9.695 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.267 11.967 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.338 11.820 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.564 11.863 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.355 12.253 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.107 14.046 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.585 13.549 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.854 15.236 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.487 16.186 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.116 16.715 -3.124 1.00 0.00 H new ATOM 115 N VAL A 8 -3.086 7.275 0.101 1.00 0.00 N ATOM 116 CA VAL A 8 -3.111 5.787 0.106 1.00 0.00 C ATOM 117 C VAL A 8 -4.512 5.250 0.476 1.00 0.00 C ATOM 118 O VAL A 8 -5.010 4.312 -0.148 1.00 0.00 O ATOM 119 CB VAL A 8 -2.030 5.195 1.098 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.100 3.650 1.193 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.615 5.643 0.686 1.00 0.00 C ATOM 0 H VAL A 8 -2.396 7.671 0.740 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.869 5.461 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.256 5.590 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.338 3.293 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.085 3.352 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.926 3.217 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.115 5.226 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.401 5.289 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.557 6.731 0.709 1.00 0.00 H new ATOM 131 N ALA A 9 -5.130 5.878 1.486 1.00 0.00 N ATOM 132 CA ALA A 9 -6.471 5.505 1.983 1.00 0.00 C ATOM 133 C ALA A 9 -7.538 5.749 0.901 1.00 0.00 C ATOM 134 O ALA A 9 -8.411 4.913 0.698 1.00 0.00 O ATOM 135 CB ALA A 9 -6.805 6.285 3.265 1.00 0.00 C ATOM 0 H ALA A 9 -4.715 6.664 1.987 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.467 4.441 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.796 5.998 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.066 6.056 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.790 7.354 3.055 1.00 0.00 H new ATOM 141 N THR A 10 -7.449 6.911 0.223 1.00 0.00 N ATOM 142 CA THR A 10 -8.298 7.257 -0.943 1.00 0.00 C ATOM 143 C THR A 10 -8.184 6.191 -2.071 1.00 0.00 C ATOM 144 O THR A 10 -9.196 5.781 -2.658 1.00 0.00 O ATOM 145 CB THR A 10 -7.888 8.658 -1.505 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.102 9.685 -0.522 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.624 9.026 -2.803 1.00 0.00 C ATOM 0 H THR A 10 -6.782 7.643 0.468 1.00 0.00 H new ATOM 0 HA THR A 10 -9.333 7.283 -0.603 1.00 0.00 H new ATOM 0 HB THR A 10 -6.826 8.589 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.838 10.553 -0.893 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.296 10.009 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.401 8.285 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.698 9.046 -2.619 1.00 0.00 H new ATOM 155 N ILE A 11 -6.935 5.762 -2.352 1.00 0.00 N ATOM 156 CA ILE A 11 -6.629 4.718 -3.347 1.00 0.00 C ATOM 157 C ILE A 11 -7.366 3.407 -2.984 1.00 0.00 C ATOM 158 O ILE A 11 -8.202 2.937 -3.751 1.00 0.00 O ATOM 159 CB ILE A 11 -5.065 4.469 -3.427 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.309 5.703 -4.038 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.715 3.162 -4.193 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.650 6.017 -5.479 1.00 0.00 C ATOM 0 H ILE A 11 -6.106 6.135 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.973 5.055 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.719 4.343 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.528 6.581 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.236 5.524 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.633 3.035 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.167 2.310 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.100 3.223 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.077 6.884 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.404 5.160 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.715 6.233 -5.562 1.00 0.00 H new ATOM 174 N ILE A 12 -7.092 2.901 -1.768 1.00 0.00 N ATOM 175 CA ILE A 12 -7.616 1.609 -1.261 1.00 0.00 C ATOM 176 C ILE A 12 -9.160 1.614 -1.179 1.00 0.00 C ATOM 177 O ILE A 12 -9.815 0.578 -1.409 1.00 0.00 O ATOM 178 CB ILE A 12 -6.963 1.273 0.137 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.409 1.149 -0.023 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.562 -0.003 0.786 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.645 0.880 1.257 1.00 0.00 C ATOM 0 H ILE A 12 -6.492 3.381 -1.097 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.341 0.826 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.192 2.094 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.196 0.346 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.031 2.071 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.076 -0.186 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.632 0.136 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.399 -0.857 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.580 0.812 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.819 1.693 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.986 -0.059 1.694 1.00 0.00 H new ATOM 193 N ALA A 13 -9.715 2.798 -0.879 1.00 0.00 N ATOM 194 CA ALA A 13 -11.165 3.048 -0.875 1.00 0.00 C ATOM 195 C ALA A 13 -11.797 2.712 -2.236 1.00 0.00 C ATOM 196 O ALA A 13 -12.741 1.926 -2.320 1.00 0.00 O ATOM 197 CB ALA A 13 -11.456 4.516 -0.481 1.00 0.00 C ATOM 0 H ALA A 13 -9.163 3.619 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.618 2.391 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.533 4.686 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.059 4.711 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.982 5.186 -1.198 1.00 0.00 H new ATOM 203 N GLU A 14 -11.232 3.298 -3.296 1.00 0.00 N ATOM 204 CA GLU A 14 -11.786 3.217 -4.662 1.00 0.00 C ATOM 205 C GLU A 14 -11.360 1.934 -5.413 1.00 0.00 C ATOM 206 O GLU A 14 -12.066 1.506 -6.335 1.00 0.00 O ATOM 207 CB GLU A 14 -11.374 4.482 -5.444 1.00 0.00 C ATOM 208 CG GLU A 14 -11.909 5.785 -4.828 1.00 0.00 C ATOM 209 CD GLU A 14 -11.487 7.033 -5.614 1.00 0.00 C ATOM 210 OE1 GLU A 14 -12.022 7.251 -6.718 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.621 7.798 -5.142 1.00 0.00 O ATOM 0 H GLU A 14 -10.374 3.846 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.872 3.164 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.286 4.532 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.735 4.399 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.997 5.740 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.551 5.870 -3.802 1.00 0.00 H new ATOM 218 N THR A 15 -10.220 1.331 -5.031 1.00 0.00 N ATOM 219 CA THR A 15 -9.722 0.094 -5.661 1.00 0.00 C ATOM 220 C THR A 15 -10.548 -1.114 -5.193 1.00 0.00 C ATOM 221 O THR A 15 -11.225 -1.764 -5.994 1.00 0.00 O ATOM 222 CB THR A 15 -8.203 -0.145 -5.331 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.996 -0.094 -3.912 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.282 0.870 -6.026 1.00 0.00 C ATOM 0 H THR A 15 -9.622 1.683 -4.283 1.00 0.00 H new ATOM 0 HA THR A 15 -9.826 0.208 -6.740 1.00 0.00 H new ATOM 0 HB THR A 15 -7.944 -1.133 -5.712 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.074 -0.996 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.245 0.659 -5.764 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.406 0.794 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.541 1.878 -5.701 1.00 0.00 H new ATOM 232 N CYS A 16 -10.501 -1.370 -3.877 1.00 0.00 N ATOM 233 CA CYS A 16 -11.098 -2.565 -3.260 1.00 0.00 C ATOM 234 C CYS A 16 -12.525 -2.299 -2.734 1.00 0.00 C ATOM 235 O CYS A 16 -13.058 -3.123 -1.977 1.00 0.00 O ATOM 236 CB CYS A 16 -10.156 -3.035 -2.131 1.00 0.00 C ATOM 237 SG CYS A 16 -8.427 -3.163 -2.641 1.00 0.00 S ATOM 0 H CYS A 16 -10.045 -0.751 -3.207 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.204 -3.348 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.229 -2.340 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.493 -4.006 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.349 -3.851 -3.741 1.00 0.00 H new ATOM 243 N ASP A 17 -13.123 -1.139 -3.131 1.00 0.00 N ATOM 244 CA ASP A 17 -14.531 -0.761 -2.825 1.00 0.00 C ATOM 245 C ASP A 17 -14.747 -0.499 -1.307 1.00 0.00 C ATOM 246 O ASP A 17 -15.879 -0.419 -0.823 1.00 0.00 O ATOM 247 CB ASP A 17 -15.507 -1.846 -3.391 1.00 0.00 C ATOM 248 CG ASP A 17 -16.989 -1.424 -3.418 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.372 -0.652 -4.322 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.779 -1.876 -2.554 1.00 0.00 O ATOM 0 H ASP A 17 -12.633 -0.433 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.753 0.184 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.197 -2.102 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.411 -2.751 -2.791 1.00 0.00 H new ATOM 255 N ILE A 18 -13.637 -0.297 -0.569 1.00 0.00 N ATOM 256 CA ILE A 18 -13.666 -0.154 0.898 1.00 0.00 C ATOM 257 C ILE A 18 -14.155 1.263 1.290 1.00 0.00 C ATOM 258 O ILE A 18 -13.633 2.249 0.777 1.00 0.00 O ATOM 259 CB ILE A 18 -12.246 -0.430 1.530 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.730 -1.835 1.086 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.272 -0.312 3.083 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.375 -2.228 1.645 1.00 0.00 C ATOM 0 H ILE A 18 -12.702 -0.229 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.362 -0.895 1.292 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.558 0.332 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.461 -2.585 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.678 -1.859 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.276 -0.509 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.583 0.694 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -12.975 -1.038 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.104 -3.219 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.625 -1.505 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.421 -2.243 2.734 1.00 0.00 H new ATOM 274 N PRO A 19 -15.195 1.386 2.175 1.00 0.00 N ATOM 275 CA PRO A 19 -15.630 2.694 2.726 1.00 0.00 C ATOM 276 C PRO A 19 -14.485 3.426 3.491 1.00 0.00 C ATOM 277 O PRO A 19 -13.867 2.847 4.394 1.00 0.00 O ATOM 278 CB PRO A 19 -16.797 2.305 3.684 1.00 0.00 C ATOM 279 CG PRO A 19 -17.288 0.983 3.175 1.00 0.00 C ATOM 280 CD PRO A 19 -16.054 0.274 2.677 1.00 0.00 C ATOM 0 HA PRO A 19 -15.926 3.396 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.453 2.228 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.589 3.054 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.779 0.414 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.018 1.114 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.563 -0.285 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.291 -0.439 1.887 1.00 0.00 H new ATOM 288 N ARG A 20 -14.227 4.699 3.109 1.00 0.00 N ATOM 289 CA ARG A 20 -13.201 5.571 3.741 1.00 0.00 C ATOM 290 C ARG A 20 -13.499 5.768 5.246 1.00 0.00 C ATOM 291 O ARG A 20 -12.578 5.897 6.065 1.00 0.00 O ATOM 292 CB ARG A 20 -13.146 6.950 3.008 1.00 0.00 C ATOM 293 CG ARG A 20 -12.113 7.963 3.571 1.00 0.00 C ATOM 294 CD ARG A 20 -10.648 7.523 3.380 1.00 0.00 C ATOM 295 NE ARG A 20 -9.710 8.476 4.021 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.800 9.230 3.381 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.697 9.189 2.058 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.993 10.030 4.065 1.00 0.00 N ATOM 0 H ARG A 20 -14.728 5.156 2.347 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.229 5.085 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.921 6.774 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.136 7.405 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.260 8.927 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.304 8.110 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.506 6.529 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.424 7.450 2.316 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.760 8.567 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.312 8.581 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.003 9.765 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.061 10.075 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.304 10.600 3.574 1.00 0.00 H new ATOM 312 N GLU A 21 -14.803 5.754 5.583 1.00 0.00 N ATOM 313 CA GLU A 21 -15.321 5.886 6.965 1.00 0.00 C ATOM 314 C GLU A 21 -14.808 4.764 7.895 1.00 0.00 C ATOM 315 O GLU A 21 -14.703 4.962 9.112 1.00 0.00 O ATOM 316 CB GLU A 21 -16.874 5.895 6.925 1.00 0.00 C ATOM 317 CG GLU A 21 -17.502 4.583 6.406 1.00 0.00 C ATOM 318 CD GLU A 21 -18.991 4.694 6.061 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.310 5.077 4.920 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.842 4.396 6.922 1.00 0.00 O ATOM 0 H GLU A 21 -15.544 5.649 4.890 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.952 6.825 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.251 6.093 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.205 6.718 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.958 4.259 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.372 3.807 7.161 1.00 0.00 H new ATOM 327 N THR A 22 -14.506 3.587 7.308 1.00 0.00 N ATOM 328 CA THR A 22 -14.045 2.400 8.052 1.00 0.00 C ATOM 329 C THR A 22 -12.529 2.156 7.869 1.00 0.00 C ATOM 330 O THR A 22 -11.965 1.270 8.522 1.00 0.00 O ATOM 331 CB THR A 22 -14.868 1.138 7.616 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.794 0.962 6.191 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.349 1.246 8.036 1.00 0.00 C ATOM 0 H THR A 22 -14.576 3.435 6.302 1.00 0.00 H new ATOM 0 HA THR A 22 -14.213 2.586 9.113 1.00 0.00 H new ATOM 0 HB THR A 22 -14.429 0.277 8.121 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.289 1.703 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.884 0.352 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.414 1.339 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.796 2.124 7.570 1.00 0.00 H new ATOM 341 N ILE A 23 -11.879 2.938 6.974 1.00 0.00 N ATOM 342 CA ILE A 23 -10.421 2.837 6.736 1.00 0.00 C ATOM 343 C ILE A 23 -9.637 3.388 7.944 1.00 0.00 C ATOM 344 O ILE A 23 -9.731 4.575 8.281 1.00 0.00 O ATOM 345 CB ILE A 23 -9.976 3.542 5.396 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.545 2.753 4.177 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.430 3.680 5.301 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.177 3.304 2.817 1.00 0.00 C ATOM 0 H ILE A 23 -12.343 3.646 6.405 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.185 1.779 6.621 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.383 4.553 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.197 1.722 4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.632 2.728 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.165 4.170 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.066 4.276 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.974 2.691 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.623 2.683 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.550 4.324 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.093 3.303 2.705 1.00 0.00 H new ATOM 360 N THR A 24 -8.882 2.483 8.588 1.00 0.00 N ATOM 361 CA THR A 24 -8.058 2.760 9.772 1.00 0.00 C ATOM 362 C THR A 24 -6.610 2.309 9.476 1.00 0.00 C ATOM 363 O THR A 24 -6.422 1.232 8.890 1.00 0.00 O ATOM 364 CB THR A 24 -8.616 2.002 11.032 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.752 0.602 10.739 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.981 2.564 11.484 1.00 0.00 C ATOM 0 H THR A 24 -8.828 1.509 8.289 1.00 0.00 H new ATOM 0 HA THR A 24 -8.082 3.828 9.990 1.00 0.00 H new ATOM 0 HB THR A 24 -7.904 2.148 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.098 0.135 11.528 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.331 2.012 12.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.874 3.618 11.740 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.704 2.459 10.675 1.00 0.00 H new ATOM 374 N PRO A 25 -5.566 3.111 9.882 1.00 0.00 N ATOM 375 CA PRO A 25 -4.138 2.790 9.599 1.00 0.00 C ATOM 376 C PRO A 25 -3.684 1.446 10.228 1.00 0.00 C ATOM 377 O PRO A 25 -2.802 0.766 9.699 1.00 0.00 O ATOM 378 CB PRO A 25 -3.376 4.007 10.211 1.00 0.00 C ATOM 379 CG PRO A 25 -4.316 4.569 11.231 1.00 0.00 C ATOM 380 CD PRO A 25 -5.689 4.392 10.640 1.00 0.00 C ATOM 0 HA PRO A 25 -3.947 2.651 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.436 3.697 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.132 4.746 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.226 4.044 12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.103 5.620 11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.456 4.332 11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.958 5.223 9.988 1.00 0.00 H new ATOM 388 N GLU A 26 -4.349 1.069 11.329 1.00 0.00 N ATOM 389 CA GLU A 26 -4.028 -0.132 12.119 1.00 0.00 C ATOM 390 C GLU A 26 -4.429 -1.437 11.394 1.00 0.00 C ATOM 391 O GLU A 26 -3.901 -2.506 11.711 1.00 0.00 O ATOM 392 CB GLU A 26 -4.756 -0.041 13.481 1.00 0.00 C ATOM 393 CG GLU A 26 -6.292 0.036 13.369 1.00 0.00 C ATOM 394 CD GLU A 26 -6.987 0.205 14.722 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.210 -0.809 15.421 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.305 1.357 15.098 1.00 0.00 O ATOM 0 H GLU A 26 -5.138 1.597 11.703 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.948 -0.166 12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.489 -0.910 14.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.397 0.839 14.015 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.561 0.871 12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.661 -0.870 12.889 1.00 0.00 H new ATOM 403 N SER A 27 -5.357 -1.337 10.423 1.00 0.00 N ATOM 404 CA SER A 27 -5.902 -2.507 9.722 1.00 0.00 C ATOM 405 C SER A 27 -4.878 -3.049 8.708 1.00 0.00 C ATOM 406 O SER A 27 -4.099 -2.284 8.140 1.00 0.00 O ATOM 407 CB SER A 27 -7.224 -2.143 9.014 1.00 0.00 C ATOM 408 OG SER A 27 -7.868 -3.297 8.480 1.00 0.00 O ATOM 0 H SER A 27 -5.745 -0.448 10.107 1.00 0.00 H new ATOM 0 HA SER A 27 -6.108 -3.287 10.455 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.891 -1.647 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.024 -1.433 8.211 1.00 0.00 H new ATOM 0 HG SER A 27 -8.703 -3.032 8.040 1.00 0.00 H new ATOM 414 N HIS A 28 -4.879 -4.379 8.519 1.00 0.00 N ATOM 415 CA HIS A 28 -4.035 -5.075 7.532 1.00 0.00 C ATOM 416 C HIS A 28 -4.925 -5.565 6.375 1.00 0.00 C ATOM 417 O HIS A 28 -6.038 -6.077 6.610 1.00 0.00 O ATOM 418 CB HIS A 28 -3.287 -6.246 8.229 1.00 0.00 C ATOM 419 CG HIS A 28 -2.417 -7.102 7.326 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.958 -7.977 6.412 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.068 -7.232 7.300 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.933 -8.602 5.860 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.772 -8.181 6.364 1.00 0.00 N ATOM 0 H HIS A 28 -5.474 -5.010 9.055 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.283 -4.402 7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.661 -5.833 9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.024 -6.890 8.709 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.360 -6.687 7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.024 -9.360 5.096 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.158 -8.506 6.101 1.00 0.00 H new ATOM 431 N ALA A 29 -4.423 -5.366 5.141 1.00 0.00 N ATOM 432 CA ALA A 29 -5.113 -5.690 3.878 1.00 0.00 C ATOM 433 C ALA A 29 -5.698 -7.122 3.843 1.00 0.00 C ATOM 434 O ALA A 29 -6.909 -7.293 3.782 1.00 0.00 O ATOM 435 CB ALA A 29 -4.143 -5.487 2.707 1.00 0.00 C ATOM 0 H ALA A 29 -3.498 -4.963 4.991 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.964 -5.014 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.648 -5.725 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.810 -4.449 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.281 -6.142 2.831 1.00 0.00 H new ATOM 441 N ILE A 30 -4.825 -8.136 3.914 1.00 0.00 N ATOM 442 CA ILE A 30 -5.229 -9.558 3.763 1.00 0.00 C ATOM 443 C ILE A 30 -5.929 -10.073 5.050 1.00 0.00 C ATOM 444 O ILE A 30 -6.802 -10.944 4.981 1.00 0.00 O ATOM 445 CB ILE A 30 -3.977 -10.454 3.407 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.219 -9.875 2.163 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.374 -11.937 3.173 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.958 -10.631 1.764 1.00 0.00 C ATOM 0 H ILE A 30 -3.826 -8.006 4.076 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.943 -9.626 2.942 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.304 -10.432 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.902 -9.865 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.952 -8.839 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.484 -12.518 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.834 -12.337 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.083 -11.998 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.507 -10.153 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.250 -10.620 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.214 -11.662 1.520 1.00 0.00 H new ATOM 460 N ASP A 31 -5.566 -9.481 6.206 1.00 0.00 N ATOM 461 CA ASP A 31 -6.059 -9.895 7.542 1.00 0.00 C ATOM 462 C ASP A 31 -7.575 -9.694 7.684 1.00 0.00 C ATOM 463 O ASP A 31 -8.332 -10.667 7.799 1.00 0.00 O ATOM 464 CB ASP A 31 -5.311 -9.099 8.643 1.00 0.00 C ATOM 465 CG ASP A 31 -5.787 -9.380 10.085 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.286 -10.338 10.705 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.642 -8.628 10.608 1.00 0.00 O ATOM 0 H ASP A 31 -4.917 -8.695 6.242 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.860 -10.961 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.247 -9.327 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.422 -8.034 8.440 1.00 0.00 H new ATOM 472 N ASP A 32 -8.008 -8.426 7.659 1.00 0.00 N ATOM 473 CA ASP A 32 -9.395 -8.043 7.984 1.00 0.00 C ATOM 474 C ASP A 32 -10.132 -7.584 6.728 1.00 0.00 C ATOM 475 O ASP A 32 -11.258 -8.016 6.460 1.00 0.00 O ATOM 476 CB ASP A 32 -9.383 -6.915 9.044 1.00 0.00 C ATOM 477 CG ASP A 32 -10.789 -6.523 9.523 1.00 0.00 C ATOM 478 OD1 ASP A 32 -11.363 -7.246 10.367 1.00 0.00 O ATOM 479 OD2 ASP A 32 -11.331 -5.499 9.060 1.00 0.00 O ATOM 0 H ASP A 32 -7.411 -7.636 7.414 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.919 -8.910 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.790 -7.236 9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.890 -6.037 8.626 1.00 0.00 H new ATOM 484 N LEU A 33 -9.476 -6.695 5.959 1.00 0.00 N ATOM 485 CA LEU A 33 -10.059 -6.107 4.734 1.00 0.00 C ATOM 486 C LEU A 33 -10.259 -7.183 3.641 1.00 0.00 C ATOM 487 O LEU A 33 -11.094 -7.029 2.752 1.00 0.00 O ATOM 488 CB LEU A 33 -9.150 -4.954 4.225 1.00 0.00 C ATOM 489 CG LEU A 33 -8.912 -3.787 5.236 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.935 -2.740 4.667 1.00 0.00 C ATOM 491 CD2 LEU A 33 -10.255 -3.146 5.664 1.00 0.00 C ATOM 0 H LEU A 33 -8.533 -6.365 6.166 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.042 -5.701 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.183 -5.373 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.591 -4.541 3.318 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.447 -4.205 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.792 -1.942 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.977 -3.214 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.345 -2.322 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.064 -2.336 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.766 -2.751 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.883 -3.900 6.140 1.00 0.00 H new ATOM 503 N GLY A 34 -9.476 -8.277 3.739 1.00 0.00 N ATOM 504 CA GLY A 34 -9.567 -9.405 2.813 1.00 0.00 C ATOM 505 C GLY A 34 -9.174 -9.039 1.386 1.00 0.00 C ATOM 506 O GLY A 34 -9.656 -9.654 0.431 1.00 0.00 O ATOM 0 H GLY A 34 -8.767 -8.395 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.923 -10.210 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.587 -9.789 2.816 1.00 0.00 H new ATOM 510 N ILE A 35 -8.313 -8.010 1.249 1.00 0.00 N ATOM 511 CA ILE A 35 -7.758 -7.599 -0.046 1.00 0.00 C ATOM 512 C ILE A 35 -6.868 -8.730 -0.573 1.00 0.00 C ATOM 513 O ILE A 35 -5.907 -9.122 0.103 1.00 0.00 O ATOM 514 CB ILE A 35 -6.918 -6.267 0.063 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.787 -5.117 0.663 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.336 -5.858 -1.321 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.038 -3.815 0.932 1.00 0.00 C ATOM 0 H ILE A 35 -7.987 -7.446 2.034 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.584 -7.403 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.080 -6.449 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.611 -4.910 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.228 -5.465 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.762 -4.937 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.686 -6.651 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.152 -5.699 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.726 -3.079 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.232 -3.999 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.621 -3.436 -0.001 1.00 0.00 H new ATOM 529 N ASP A 36 -7.209 -9.259 -1.759 1.00 0.00 N ATOM 530 CA ASP A 36 -6.466 -10.370 -2.387 1.00 0.00 C ATOM 531 C ASP A 36 -5.102 -9.849 -2.886 1.00 0.00 C ATOM 532 O ASP A 36 -4.919 -8.636 -3.020 1.00 0.00 O ATOM 533 CB ASP A 36 -7.309 -10.974 -3.548 1.00 0.00 C ATOM 534 CG ASP A 36 -6.782 -12.321 -4.067 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.146 -13.367 -3.501 1.00 0.00 O ATOM 536 OD2 ASP A 36 -5.998 -12.335 -5.037 1.00 0.00 O ATOM 0 H ASP A 36 -8.003 -8.932 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.285 -11.162 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.336 -11.104 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.334 -10.263 -4.374 1.00 0.00 H new ATOM 541 N SER A 37 -4.158 -10.749 -3.194 1.00 0.00 N ATOM 542 CA SER A 37 -2.794 -10.356 -3.596 1.00 0.00 C ATOM 543 C SER A 37 -2.795 -9.867 -5.065 1.00 0.00 C ATOM 544 O SER A 37 -1.917 -9.097 -5.477 1.00 0.00 O ATOM 545 CB SER A 37 -1.820 -11.537 -3.388 1.00 0.00 C ATOM 546 OG SER A 37 -0.474 -11.162 -3.635 1.00 0.00 O ATOM 0 H SER A 37 -4.311 -11.757 -3.173 1.00 0.00 H new ATOM 0 HA SER A 37 -2.454 -9.531 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.912 -11.908 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.096 -12.357 -4.051 1.00 0.00 H new ATOM 0 HG SER A 37 0.112 -11.934 -3.492 1.00 0.00 H new ATOM 552 N LEU A 38 -3.827 -10.300 -5.826 1.00 0.00 N ATOM 553 CA LEU A 38 -4.061 -9.859 -7.221 1.00 0.00 C ATOM 554 C LEU A 38 -4.869 -8.548 -7.218 1.00 0.00 C ATOM 555 O LEU A 38 -4.715 -7.702 -8.104 1.00 0.00 O ATOM 556 CB LEU A 38 -4.819 -10.953 -8.030 1.00 0.00 C ATOM 557 CG LEU A 38 -4.286 -12.423 -7.902 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.023 -13.370 -8.869 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.758 -12.506 -8.076 1.00 0.00 C ATOM 0 H LEU A 38 -4.522 -10.966 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.097 -9.691 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.864 -10.942 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.796 -10.674 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.501 -12.755 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.632 -14.381 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.089 -13.366 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.871 -13.034 -9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.437 -13.543 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.483 -12.132 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.271 -11.902 -7.310 1.00 0.00 H new ATOM 571 N ASP A 39 -5.742 -8.411 -6.197 1.00 0.00 N ATOM 572 CA ASP A 39 -6.581 -7.209 -5.972 1.00 0.00 C ATOM 573 C ASP A 39 -5.720 -6.037 -5.451 1.00 0.00 C ATOM 574 O ASP A 39 -6.005 -4.863 -5.729 1.00 0.00 O ATOM 575 CB ASP A 39 -7.727 -7.565 -4.980 1.00 0.00 C ATOM 576 CG ASP A 39 -8.674 -6.409 -4.609 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.084 -5.644 -5.511 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.050 -6.295 -3.420 1.00 0.00 O ATOM 0 H ASP A 39 -5.887 -9.138 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.024 -6.888 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.320 -8.371 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.282 -7.953 -4.064 1.00 0.00 H new ATOM 583 N PHE A 40 -4.635 -6.381 -4.725 1.00 0.00 N ATOM 584 CA PHE A 40 -3.680 -5.400 -4.176 1.00 0.00 C ATOM 585 C PHE A 40 -2.796 -4.829 -5.309 1.00 0.00 C ATOM 586 O PHE A 40 -2.223 -3.750 -5.159 1.00 0.00 O ATOM 587 CB PHE A 40 -2.817 -6.037 -3.042 1.00 0.00 C ATOM 588 CG PHE A 40 -2.228 -5.031 -2.035 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.102 -4.267 -2.337 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.811 -4.843 -0.781 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.582 -3.365 -1.437 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.288 -3.938 0.121 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.179 -3.200 -0.211 1.00 0.00 C ATOM 0 H PHE A 40 -4.398 -7.348 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.239 -4.576 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.430 -6.756 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.999 -6.595 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.627 -4.386 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.686 -5.415 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.294 -2.788 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.751 -3.811 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.775 -2.488 0.493 1.00 0.00 H new ATOM 603 N LEU A 41 -2.668 -5.576 -6.437 1.00 0.00 N ATOM 604 CA LEU A 41 -1.946 -5.093 -7.644 1.00 0.00 C ATOM 605 C LEU A 41 -2.563 -3.777 -8.162 1.00 0.00 C ATOM 606 O LEU A 41 -1.840 -2.903 -8.639 1.00 0.00 O ATOM 607 CB LEU A 41 -1.968 -6.161 -8.773 1.00 0.00 C ATOM 608 CG LEU A 41 -1.136 -7.463 -8.528 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.410 -8.509 -9.636 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.374 -7.145 -8.433 1.00 0.00 C ATOM 0 H LEU A 41 -3.055 -6.514 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.911 -4.910 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.005 -6.448 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.607 -5.694 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.451 -7.889 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.820 -9.405 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.469 -8.766 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.133 -8.094 -10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.930 -8.067 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.708 -6.686 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.550 -6.457 -7.606 1.00 0.00 H new ATOM 622 N ASP A 42 -3.905 -3.659 -8.047 1.00 0.00 N ATOM 623 CA ASP A 42 -4.663 -2.460 -8.473 1.00 0.00 C ATOM 624 C ASP A 42 -4.367 -1.267 -7.547 1.00 0.00 C ATOM 625 O ASP A 42 -4.294 -0.127 -8.007 1.00 0.00 O ATOM 626 CB ASP A 42 -6.188 -2.756 -8.488 1.00 0.00 C ATOM 627 CG ASP A 42 -7.013 -1.640 -9.153 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.711 -1.288 -10.314 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.981 -1.143 -8.554 1.00 0.00 O ATOM 0 H ASP A 42 -4.494 -4.394 -7.655 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.344 -2.202 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.365 -3.694 -9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.535 -2.895 -7.464 1.00 0.00 H new ATOM 634 N ILE A 43 -4.202 -1.560 -6.242 1.00 0.00 N ATOM 635 CA ILE A 43 -3.805 -0.564 -5.224 1.00 0.00 C ATOM 636 C ILE A 43 -2.413 -0.007 -5.565 1.00 0.00 C ATOM 637 O ILE A 43 -2.233 1.200 -5.717 1.00 0.00 O ATOM 638 CB ILE A 43 -3.782 -1.190 -3.773 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.193 -1.729 -3.383 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.252 -0.185 -2.716 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.289 -2.297 -1.976 1.00 0.00 C ATOM 0 H ILE A 43 -4.340 -2.496 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.543 0.238 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.087 -2.030 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.917 -0.920 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.480 -2.504 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.253 -0.656 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.236 0.113 -2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.894 0.695 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.305 -2.647 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.594 -3.130 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.037 -1.522 -1.253 1.00 0.00 H new ATOM 653 N ALA A 44 -1.470 -0.945 -5.752 1.00 0.00 N ATOM 654 CA ALA A 44 -0.059 -0.647 -6.044 1.00 0.00 C ATOM 655 C ALA A 44 0.087 0.141 -7.363 1.00 0.00 C ATOM 656 O ALA A 44 0.887 1.070 -7.451 1.00 0.00 O ATOM 657 CB ALA A 44 0.737 -1.961 -6.106 1.00 0.00 C ATOM 0 H ALA A 44 -1.669 -1.944 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 44 0.338 -0.020 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.783 -1.743 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.664 -2.476 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.329 -2.597 -6.892 1.00 0.00 H new ATOM 663 N PHE A 45 -0.751 -0.231 -8.352 1.00 0.00 N ATOM 664 CA PHE A 45 -0.741 0.379 -9.699 1.00 0.00 C ATOM 665 C PHE A 45 -1.307 1.804 -9.651 1.00 0.00 C ATOM 666 O PHE A 45 -0.794 2.714 -10.316 1.00 0.00 O ATOM 667 CB PHE A 45 -1.535 -0.502 -10.709 1.00 0.00 C ATOM 668 CG PHE A 45 -1.184 -0.237 -12.172 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.098 -0.880 -12.765 1.00 0.00 C ATOM 670 CD2 PHE A 45 -1.914 0.663 -12.944 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.233 -0.640 -14.080 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.576 0.904 -14.259 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.499 0.257 -14.825 1.00 0.00 C ATOM 0 H PHE A 45 -1.453 -0.962 -8.240 1.00 0.00 H new ATOM 0 HA PHE A 45 0.292 0.436 -10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.348 -1.552 -10.485 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.602 -0.331 -10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.491 -1.575 -12.185 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.756 1.179 -12.507 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.069 -1.157 -14.528 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.156 1.601 -14.846 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.229 0.453 -15.852 1.00 0.00 H new ATOM 683 N ALA A 46 -2.372 1.977 -8.853 1.00 0.00 N ATOM 684 CA ALA A 46 -3.012 3.284 -8.637 1.00 0.00 C ATOM 685 C ALA A 46 -2.055 4.251 -7.921 1.00 0.00 C ATOM 686 O ALA A 46 -2.058 5.445 -8.191 1.00 0.00 O ATOM 687 CB ALA A 46 -4.313 3.110 -7.852 1.00 0.00 C ATOM 0 H ALA A 46 -2.814 1.215 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.253 3.719 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.778 4.084 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.993 2.468 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.097 2.654 -6.886 1.00 0.00 H new ATOM 693 N ILE A 47 -1.231 3.690 -7.027 1.00 0.00 N ATOM 694 CA ILE A 47 -0.203 4.421 -6.260 1.00 0.00 C ATOM 695 C ILE A 47 0.988 4.836 -7.163 1.00 0.00 C ATOM 696 O ILE A 47 1.529 5.946 -7.016 1.00 0.00 O ATOM 697 CB ILE A 47 0.256 3.528 -5.034 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.902 3.444 -3.984 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.565 4.031 -4.374 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.722 2.395 -2.907 1.00 0.00 C ATOM 0 H ILE A 47 -1.257 2.694 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.626 5.349 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 47 0.476 2.532 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.009 4.418 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.835 3.244 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.827 3.378 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.370 4.022 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.420 5.047 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.577 2.417 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.649 1.410 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.190 2.602 -2.347 1.00 0.00 H new ATOM 712 N ASP A 48 1.373 3.934 -8.101 1.00 0.00 N ATOM 713 CA ASP A 48 2.406 4.205 -9.137 1.00 0.00 C ATOM 714 C ASP A 48 2.078 5.485 -9.916 1.00 0.00 C ATOM 715 O ASP A 48 2.939 6.347 -10.120 1.00 0.00 O ATOM 716 CB ASP A 48 2.532 3.018 -10.147 1.00 0.00 C ATOM 717 CG ASP A 48 3.187 1.766 -9.557 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.261 1.898 -8.950 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.663 0.649 -9.733 1.00 0.00 O ATOM 0 H ASP A 48 0.976 2.996 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 48 3.354 4.327 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.538 2.758 -10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.112 3.348 -11.009 1.00 0.00 H new ATOM 724 N LYS A 49 0.806 5.591 -10.319 1.00 0.00 N ATOM 725 CA LYS A 49 0.295 6.702 -11.139 1.00 0.00 C ATOM 726 C LYS A 49 0.073 7.974 -10.288 1.00 0.00 C ATOM 727 O LYS A 49 0.525 9.063 -10.658 1.00 0.00 O ATOM 728 CB LYS A 49 -1.032 6.266 -11.821 1.00 0.00 C ATOM 729 CG LYS A 49 -0.890 5.059 -12.779 1.00 0.00 C ATOM 730 CD LYS A 49 -2.250 4.561 -13.326 1.00 0.00 C ATOM 731 CE LYS A 49 -3.173 4.026 -12.219 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.460 3.520 -12.736 1.00 0.00 N ATOM 0 H LYS A 49 0.093 4.901 -10.083 1.00 0.00 H new ATOM 0 HA LYS A 49 1.036 6.944 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.759 6.018 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.435 7.112 -12.378 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.248 5.338 -13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.394 4.242 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.749 5.378 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.076 3.775 -14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.663 3.225 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.365 4.820 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.039 3.173 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.964 4.288 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.284 2.742 -13.404 1.00 0.00 H new ATOM 746 N ALA A 50 -0.594 7.797 -9.125 1.00 0.00 N ATOM 747 CA ALA A 50 -1.085 8.914 -8.280 1.00 0.00 C ATOM 748 C ALA A 50 0.069 9.738 -7.699 1.00 0.00 C ATOM 749 O ALA A 50 0.076 10.973 -7.792 1.00 0.00 O ATOM 750 CB ALA A 50 -1.978 8.379 -7.143 1.00 0.00 C ATOM 0 H ALA A 50 -0.808 6.875 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.675 9.571 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.329 9.212 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.834 7.855 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.404 7.692 -6.522 1.00 0.00 H new ATOM 756 N PHE A 51 1.034 9.036 -7.089 1.00 0.00 N ATOM 757 CA PHE A 51 2.208 9.665 -6.457 1.00 0.00 C ATOM 758 C PHE A 51 3.303 9.942 -7.502 1.00 0.00 C ATOM 759 O PHE A 51 4.064 10.900 -7.369 1.00 0.00 O ATOM 760 CB PHE A 51 2.758 8.756 -5.325 1.00 0.00 C ATOM 761 CG PHE A 51 1.773 8.482 -4.177 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.750 7.546 -4.317 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.885 9.142 -2.952 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.122 7.275 -3.281 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.009 8.871 -1.916 1.00 0.00 C ATOM 766 CZ PHE A 51 0.013 7.934 -2.083 1.00 0.00 C ATOM 0 H PHE A 51 1.025 8.018 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 51 1.900 10.617 -6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.061 7.803 -5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.655 9.218 -4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.637 7.022 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.666 9.874 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.908 6.547 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.106 9.394 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.664 7.717 -1.270 1.00 0.00 H new ATOM 776 N GLY A 52 3.333 9.118 -8.568 1.00 0.00 N ATOM 777 CA GLY A 52 4.400 9.177 -9.573 1.00 0.00 C ATOM 778 C GLY A 52 5.661 8.481 -9.079 1.00 0.00 C ATOM 779 O GLY A 52 6.773 9.012 -9.197 1.00 0.00 O ATOM 0 H GLY A 52 2.627 8.405 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.060 8.707 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.624 10.217 -9.809 1.00 0.00 H new ATOM 783 N ILE A 53 5.465 7.276 -8.505 1.00 0.00 N ATOM 784 CA ILE A 53 6.547 6.452 -7.914 1.00 0.00 C ATOM 785 C ILE A 53 6.536 5.027 -8.494 1.00 0.00 C ATOM 786 O ILE A 53 5.767 4.718 -9.413 1.00 0.00 O ATOM 787 CB ILE A 53 6.432 6.355 -6.338 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.066 5.729 -5.922 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.657 7.725 -5.666 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.905 5.519 -4.435 1.00 0.00 C ATOM 0 H ILE A 53 4.545 6.841 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 53 7.482 6.951 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 53 7.224 5.695 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.262 6.374 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.950 4.770 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.570 7.618 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.652 8.094 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.908 8.432 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.928 5.080 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.685 4.848 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.986 6.477 -3.921 1.00 0.00 H new ATOM 802 N LYS A 54 7.416 4.184 -7.948 1.00 0.00 N ATOM 803 CA LYS A 54 7.498 2.765 -8.265 1.00 0.00 C ATOM 804 C LYS A 54 7.362 1.968 -6.964 1.00 0.00 C ATOM 805 O LYS A 54 8.309 1.889 -6.178 1.00 0.00 O ATOM 806 CB LYS A 54 8.837 2.469 -8.991 1.00 0.00 C ATOM 807 CG LYS A 54 9.052 0.991 -9.389 1.00 0.00 C ATOM 808 CD LYS A 54 10.416 0.751 -10.073 1.00 0.00 C ATOM 809 CE LYS A 54 10.590 1.565 -11.367 1.00 0.00 C ATOM 810 NZ LYS A 54 11.883 1.287 -12.028 1.00 0.00 N ATOM 0 H LYS A 54 8.105 4.481 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 54 6.692 2.470 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.889 3.083 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.659 2.779 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.981 0.365 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.253 0.680 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.215 1.008 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.521 -0.310 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.775 1.333 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.521 2.628 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.959 1.856 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.662 1.532 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.939 0.277 -12.270 1.00 0.00 H new ATOM 824 N LEU A 55 6.153 1.450 -6.707 1.00 0.00 N ATOM 825 CA LEU A 55 5.855 0.532 -5.612 1.00 0.00 C ATOM 826 C LEU A 55 6.070 -0.898 -6.150 1.00 0.00 C ATOM 827 O LEU A 55 5.230 -1.388 -6.919 1.00 0.00 O ATOM 828 CB LEU A 55 4.384 0.771 -5.106 1.00 0.00 C ATOM 829 CG LEU A 55 3.931 0.044 -3.776 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.646 0.675 -3.202 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.718 -1.484 -3.955 1.00 0.00 C ATOM 0 H LEU A 55 5.335 1.668 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 55 6.508 0.693 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.250 1.843 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.703 0.467 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 55 4.753 0.182 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.361 0.153 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.826 1.727 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.842 0.592 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.408 -1.922 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.946 -1.658 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.650 -1.946 -4.281 1.00 0.00 H new ATOM 843 N PRO A 56 7.195 -1.594 -5.789 1.00 0.00 N ATOM 844 CA PRO A 56 7.440 -2.958 -6.272 1.00 0.00 C ATOM 845 C PRO A 56 6.730 -4.003 -5.390 1.00 0.00 C ATOM 846 O PRO A 56 7.354 -4.646 -4.541 1.00 0.00 O ATOM 847 CB PRO A 56 8.986 -3.052 -6.212 1.00 0.00 C ATOM 848 CG PRO A 56 9.367 -2.205 -5.021 1.00 0.00 C ATOM 849 CD PRO A 56 8.305 -1.112 -4.909 1.00 0.00 C ATOM 0 HA PRO A 56 7.048 -3.160 -7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.317 -4.083 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.443 -2.678 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.402 -2.806 -4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.358 -1.771 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.971 -0.984 -3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.688 -0.147 -5.242 1.00 0.00 H new ATOM 857 N LEU A 57 5.420 -4.209 -5.641 1.00 0.00 N ATOM 858 CA LEU A 57 4.609 -5.184 -4.893 1.00 0.00 C ATOM 859 C LEU A 57 5.039 -6.609 -5.249 1.00 0.00 C ATOM 860 O LEU A 57 5.002 -7.493 -4.405 1.00 0.00 O ATOM 861 CB LEU A 57 3.093 -5.008 -5.165 1.00 0.00 C ATOM 862 CG LEU A 57 2.157 -5.973 -4.355 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.240 -5.702 -2.831 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.711 -5.920 -4.870 1.00 0.00 C ATOM 0 H LEU A 57 4.901 -3.707 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 57 4.778 -5.004 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.815 -3.979 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.910 -5.158 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 57 2.516 -6.989 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.579 -6.389 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.265 -5.851 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.935 -4.676 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.092 -6.601 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.327 -4.905 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.687 -6.217 -5.918 1.00 0.00 H new ATOM 876 N GLU A 58 5.469 -6.794 -6.513 1.00 0.00 N ATOM 877 CA GLU A 58 6.004 -8.065 -7.034 1.00 0.00 C ATOM 878 C GLU A 58 7.209 -8.536 -6.201 1.00 0.00 C ATOM 879 O GLU A 58 7.371 -9.733 -5.947 1.00 0.00 O ATOM 880 CB GLU A 58 6.403 -7.879 -8.521 1.00 0.00 C ATOM 881 CG GLU A 58 7.414 -6.736 -8.784 1.00 0.00 C ATOM 882 CD GLU A 58 7.712 -6.530 -10.277 1.00 0.00 C ATOM 883 OE1 GLU A 58 6.808 -6.076 -11.007 1.00 0.00 O ATOM 884 OE2 GLU A 58 8.840 -6.837 -10.729 1.00 0.00 O ATOM 0 H GLU A 58 5.453 -6.051 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 58 5.234 -8.833 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.829 -8.813 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.501 -7.689 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.022 -5.809 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.345 -6.954 -8.260 1.00 0.00 H new ATOM 891 N LYS A 59 8.022 -7.563 -5.747 1.00 0.00 N ATOM 892 CA LYS A 59 9.197 -7.851 -4.921 1.00 0.00 C ATOM 893 C LYS A 59 8.759 -8.126 -3.479 1.00 0.00 C ATOM 894 O LYS A 59 9.219 -9.079 -2.878 1.00 0.00 O ATOM 895 CB LYS A 59 10.231 -6.698 -4.948 1.00 0.00 C ATOM 896 CG LYS A 59 11.534 -7.023 -4.166 1.00 0.00 C ATOM 897 CD LYS A 59 12.559 -5.875 -4.174 1.00 0.00 C ATOM 898 CE LYS A 59 12.048 -4.606 -3.464 1.00 0.00 C ATOM 899 NZ LYS A 59 13.061 -3.525 -3.477 1.00 0.00 N ATOM 0 H LYS A 59 7.881 -6.572 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 59 9.684 -8.733 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.484 -6.470 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.776 -5.802 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.278 -7.264 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.994 -7.913 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.476 -6.211 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.814 -5.630 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.138 -4.258 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.785 -4.846 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.682 -2.688 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.921 -3.849 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.293 -3.278 -4.460 1.00 0.00 H new ATOM 913 N TRP A 60 7.834 -7.289 -2.960 1.00 0.00 N ATOM 914 CA TRP A 60 7.371 -7.349 -1.548 1.00 0.00 C ATOM 915 C TRP A 60 6.671 -8.691 -1.240 1.00 0.00 C ATOM 916 O TRP A 60 6.830 -9.250 -0.152 1.00 0.00 O ATOM 917 CB TRP A 60 6.430 -6.155 -1.233 1.00 0.00 C ATOM 918 CG TRP A 60 7.073 -4.788 -1.348 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.374 -4.491 -1.670 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.434 -3.529 -1.109 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.554 -3.138 -1.702 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.388 -2.525 -1.346 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.143 -3.159 -0.742 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.103 -1.171 -1.207 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.857 -1.818 -0.595 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.832 -0.835 -0.838 1.00 0.00 C ATOM 0 H TRP A 60 7.385 -6.552 -3.504 1.00 0.00 H new ATOM 0 HA TRP A 60 8.249 -7.279 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.576 -6.197 -1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.042 -6.274 -0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.144 -5.222 -1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.421 -2.662 -1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.381 -3.907 -0.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.856 -0.417 -1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.866 -1.518 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.570 0.207 -0.731 1.00 0.00 H new ATOM 937 N THR A 61 5.881 -9.169 -2.214 1.00 0.00 N ATOM 938 CA THR A 61 5.286 -10.512 -2.219 1.00 0.00 C ATOM 939 C THR A 61 6.375 -11.603 -2.098 1.00 0.00 C ATOM 940 O THR A 61 6.262 -12.502 -1.266 1.00 0.00 O ATOM 941 CB THR A 61 4.439 -10.717 -3.528 1.00 0.00 C ATOM 942 OG1 THR A 61 3.425 -9.693 -3.626 1.00 0.00 O ATOM 943 CG2 THR A 61 3.764 -12.096 -3.589 1.00 0.00 C ATOM 0 H THR A 61 5.634 -8.620 -3.037 1.00 0.00 H new ATOM 0 HA THR A 61 4.629 -10.602 -1.354 1.00 0.00 H new ATOM 0 HB THR A 61 5.135 -10.650 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.840 -8.847 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.193 -12.181 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.525 -12.875 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.094 -12.211 -2.737 1.00 0.00 H new ATOM 951 N GLN A 62 7.454 -11.462 -2.893 1.00 0.00 N ATOM 952 CA GLN A 62 8.601 -12.400 -2.910 1.00 0.00 C ATOM 953 C GLN A 62 9.372 -12.359 -1.574 1.00 0.00 C ATOM 954 O GLN A 62 9.868 -13.389 -1.117 1.00 0.00 O ATOM 955 CB GLN A 62 9.535 -12.077 -4.122 1.00 0.00 C ATOM 956 CG GLN A 62 10.872 -12.858 -4.169 1.00 0.00 C ATOM 957 CD GLN A 62 10.743 -14.392 -4.194 1.00 0.00 C ATOM 958 OE1 GLN A 62 11.601 -15.098 -3.656 1.00 0.00 O ATOM 959 NE2 GLN A 62 9.723 -14.925 -4.857 1.00 0.00 N ATOM 0 H GLN A 62 7.558 -10.688 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 62 8.223 -13.415 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.987 -12.277 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.759 -11.010 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.426 -12.543 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.469 -12.575 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.027 -14.321 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.636 -15.939 -4.930 1.00 0.00 H new ATOM 968 N GLU A 63 9.455 -11.165 -0.949 1.00 0.00 N ATOM 969 CA GLU A 63 10.102 -10.986 0.370 1.00 0.00 C ATOM 970 C GLU A 63 9.407 -11.856 1.432 1.00 0.00 C ATOM 971 O GLU A 63 10.064 -12.521 2.231 1.00 0.00 O ATOM 972 CB GLU A 63 10.080 -9.497 0.809 1.00 0.00 C ATOM 973 CG GLU A 63 10.747 -8.510 -0.167 1.00 0.00 C ATOM 974 CD GLU A 63 12.201 -8.856 -0.509 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.091 -8.593 0.330 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.467 -9.386 -1.613 1.00 0.00 O ATOM 0 H GLU A 63 9.078 -10.302 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 63 11.142 -11.300 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.043 -9.194 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.574 -9.414 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.166 -8.478 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.715 -7.510 0.265 1.00 0.00 H new ATOM 983 N VAL A 64 8.067 -11.869 1.384 1.00 0.00 N ATOM 984 CA VAL A 64 7.242 -12.699 2.272 1.00 0.00 C ATOM 985 C VAL A 64 7.420 -14.197 1.939 1.00 0.00 C ATOM 986 O VAL A 64 7.687 -15.011 2.827 1.00 0.00 O ATOM 987 CB VAL A 64 5.726 -12.310 2.171 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.859 -13.187 3.120 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.523 -10.796 2.452 1.00 0.00 C ATOM 0 H VAL A 64 7.526 -11.305 0.729 1.00 0.00 H new ATOM 0 HA VAL A 64 7.577 -12.518 3.293 1.00 0.00 H new ATOM 0 HB VAL A 64 5.394 -12.505 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.813 -12.896 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.969 -14.237 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.188 -13.044 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.464 -10.551 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.879 -10.561 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.084 -10.212 1.722 1.00 0.00 H new ATOM 999 N ASN A 65 7.294 -14.523 0.641 1.00 0.00 N ATOM 1000 CA ASN A 65 7.342 -15.912 0.129 1.00 0.00 C ATOM 1001 C ASN A 65 8.690 -16.605 0.399 1.00 0.00 C ATOM 1002 O ASN A 65 8.732 -17.834 0.537 1.00 0.00 O ATOM 1003 CB ASN A 65 7.020 -15.947 -1.392 1.00 0.00 C ATOM 1004 CG ASN A 65 5.590 -15.510 -1.728 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.397 -14.974 -2.918 1.00 0.00 O flip ATOM 1006 ND2 ASN A 65 4.663 -15.662 -0.929 1.00 0.00 N flip ATOM 0 H ASN A 65 7.155 -13.827 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 65 6.581 -16.469 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.722 -15.300 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.179 -16.959 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.840 -16.079 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.719 -15.370 -1.182 1.00 0.00 H new ATOM 1013 N ASP A 66 9.778 -15.821 0.471 1.00 0.00 N ATOM 1014 CA ASP A 66 11.149 -16.332 0.691 1.00 0.00 C ATOM 1015 C ASP A 66 11.524 -16.280 2.201 1.00 0.00 C ATOM 1016 O ASP A 66 12.569 -16.802 2.615 1.00 0.00 O ATOM 1017 CB ASP A 66 12.134 -15.486 -0.172 1.00 0.00 C ATOM 1018 CG ASP A 66 13.495 -16.160 -0.425 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.590 -16.982 -1.359 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.474 -15.868 0.292 1.00 0.00 O ATOM 0 H ASP A 66 9.735 -14.806 0.378 1.00 0.00 H new ATOM 0 HA ASP A 66 11.210 -17.377 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.665 -15.271 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.302 -14.529 0.322 1.00 0.00 H new ATOM 1025 N GLY A 67 10.643 -15.647 3.011 1.00 0.00 N ATOM 1026 CA GLY A 67 10.837 -15.523 4.468 1.00 0.00 C ATOM 1027 C GLY A 67 11.734 -14.353 4.867 1.00 0.00 C ATOM 1028 O GLY A 67 12.127 -14.241 6.033 1.00 0.00 O ATOM 0 H GLY A 67 9.785 -15.212 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.865 -15.405 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.270 -16.448 4.849 1.00 0.00 H new ATOM 1032 N LYS A 68 12.038 -13.470 3.895 1.00 0.00 N ATOM 1033 CA LYS A 68 12.922 -12.302 4.095 1.00 0.00 C ATOM 1034 C LYS A 68 12.165 -11.095 4.691 1.00 0.00 C ATOM 1035 O LYS A 68 12.797 -10.118 5.105 1.00 0.00 O ATOM 1036 CB LYS A 68 13.591 -11.905 2.752 1.00 0.00 C ATOM 1037 CG LYS A 68 14.508 -12.994 2.148 1.00 0.00 C ATOM 1038 CD LYS A 68 15.711 -13.353 3.063 1.00 0.00 C ATOM 1039 CE LYS A 68 16.647 -14.401 2.436 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.805 -14.710 3.302 1.00 0.00 N ATOM 0 H LYS A 68 11.676 -13.546 2.944 1.00 0.00 H new ATOM 0 HA LYS A 68 13.690 -12.591 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.812 -11.662 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.177 -10.999 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.920 -13.893 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.882 -12.651 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.279 -12.448 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.337 -13.730 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.087 -15.316 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.004 -14.036 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.406 -15.420 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.357 -13.844 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.468 -15.084 4.212 1.00 0.00 H new ATOM 1054 N ALA A 69 10.817 -11.173 4.731 1.00 0.00 N ATOM 1055 CA ALA A 69 9.959 -10.114 5.311 1.00 0.00 C ATOM 1056 C ALA A 69 8.559 -10.657 5.625 1.00 0.00 C ATOM 1057 O ALA A 69 8.207 -11.764 5.216 1.00 0.00 O ATOM 1058 CB ALA A 69 9.863 -8.898 4.368 1.00 0.00 C ATOM 0 H ALA A 69 10.294 -11.968 4.364 1.00 0.00 H new ATOM 0 HA ALA A 69 10.421 -9.787 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.227 -8.137 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.859 -8.487 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.435 -9.209 3.415 1.00 0.00 H new ATOM 1064 N THR A 70 7.781 -9.853 6.368 1.00 0.00 N ATOM 1065 CA THR A 70 6.395 -10.189 6.749 1.00 0.00 C ATOM 1066 C THR A 70 5.386 -9.389 5.910 1.00 0.00 C ATOM 1067 O THR A 70 5.717 -8.330 5.351 1.00 0.00 O ATOM 1068 CB THR A 70 6.152 -9.905 8.274 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.484 -8.536 8.589 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.977 -10.854 9.161 1.00 0.00 C ATOM 0 H THR A 70 8.094 -8.949 6.723 1.00 0.00 H new ATOM 0 HA THR A 70 6.249 -11.252 6.558 1.00 0.00 H new ATOM 0 HB THR A 70 5.095 -10.078 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.326 -8.372 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.785 -10.630 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.693 -11.886 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.038 -10.720 8.949 1.00 0.00 H new ATOM 1078 N THR A 71 4.151 -9.922 5.817 1.00 0.00 N ATOM 1079 CA THR A 71 3.017 -9.194 5.219 1.00 0.00 C ATOM 1080 C THR A 71 2.614 -7.999 6.101 1.00 0.00 C ATOM 1081 O THR A 71 2.086 -7.016 5.597 1.00 0.00 O ATOM 1082 CB THR A 71 1.775 -10.116 4.998 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.466 -10.803 6.218 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.991 -11.130 3.865 1.00 0.00 C ATOM 0 H THR A 71 3.915 -10.857 6.150 1.00 0.00 H new ATOM 0 HA THR A 71 3.351 -8.837 4.245 1.00 0.00 H new ATOM 0 HB THR A 71 0.941 -9.480 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.686 -11.380 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.099 -11.746 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.185 -10.599 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.843 -11.766 4.104 1.00 0.00 H new ATOM 1092 N GLU A 72 2.848 -8.105 7.430 1.00 0.00 N ATOM 1093 CA GLU A 72 2.605 -7.003 8.384 1.00 0.00 C ATOM 1094 C GLU A 72 3.472 -5.772 8.028 1.00 0.00 C ATOM 1095 O GLU A 72 3.004 -4.637 8.099 1.00 0.00 O ATOM 1096 CB GLU A 72 2.881 -7.465 9.844 1.00 0.00 C ATOM 1097 CG GLU A 72 2.632 -6.375 10.910 1.00 0.00 C ATOM 1098 CD GLU A 72 2.929 -6.835 12.345 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.121 -6.941 12.708 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.978 -7.079 13.124 1.00 0.00 O ATOM 0 H GLU A 72 3.209 -8.953 7.867 1.00 0.00 H new ATOM 0 HA GLU A 72 1.556 -6.716 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.250 -8.326 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.916 -7.800 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.251 -5.507 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.593 -6.051 10.850 1.00 0.00 H new ATOM 1107 N GLN A 73 4.728 -6.042 7.620 1.00 0.00 N ATOM 1108 CA GLN A 73 5.703 -5.005 7.206 1.00 0.00 C ATOM 1109 C GLN A 73 5.162 -4.122 6.059 1.00 0.00 C ATOM 1110 O GLN A 73 5.464 -2.924 5.989 1.00 0.00 O ATOM 1111 CB GLN A 73 7.040 -5.690 6.793 1.00 0.00 C ATOM 1112 CG GLN A 73 8.152 -4.737 6.291 1.00 0.00 C ATOM 1113 CD GLN A 73 9.486 -5.433 5.965 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.199 -5.028 5.043 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.865 -6.448 6.737 1.00 0.00 N ATOM 0 H GLN A 73 5.100 -6.990 7.567 1.00 0.00 H new ATOM 0 HA GLN A 73 5.877 -4.343 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.422 -6.246 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.828 -6.417 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.797 -4.222 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.330 -3.974 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.260 -6.767 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.761 -6.907 6.572 1.00 0.00 H new ATOM 1124 N TYR A 74 4.377 -4.730 5.157 1.00 0.00 N ATOM 1125 CA TYR A 74 3.844 -4.034 3.971 1.00 0.00 C ATOM 1126 C TYR A 74 2.329 -3.760 4.112 1.00 0.00 C ATOM 1127 O TYR A 74 1.928 -2.634 4.363 1.00 0.00 O ATOM 1128 CB TYR A 74 4.161 -4.866 2.700 1.00 0.00 C ATOM 1129 CG TYR A 74 5.650 -5.231 2.568 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.622 -4.228 2.475 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.085 -6.562 2.551 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.966 -4.536 2.371 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.427 -6.875 2.442 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.367 -5.857 2.355 1.00 0.00 C ATOM 1135 OH TYR A 74 9.709 -6.162 2.263 1.00 0.00 O ATOM 0 H TYR A 74 4.095 -5.708 5.225 1.00 0.00 H new ATOM 0 HA TYR A 74 4.329 -3.062 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.570 -5.781 2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.852 -4.303 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.316 -3.192 2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.359 -7.358 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.699 -3.746 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.743 -7.908 2.425 1.00 0.00 H new ATOM 0 HH TYR A 74 10.164 -5.886 3.086 1.00 0.00 H new ATOM 1145 N PHE A 75 1.524 -4.825 4.015 1.00 0.00 N ATOM 1146 CA PHE A 75 0.052 -4.778 3.810 1.00 0.00 C ATOM 1147 C PHE A 75 -0.761 -4.050 4.927 1.00 0.00 C ATOM 1148 O PHE A 75 -1.921 -3.695 4.675 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.477 -6.229 3.604 1.00 0.00 C ATOM 1150 CG PHE A 75 0.042 -6.933 2.338 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.332 -7.462 2.280 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.762 -7.057 1.207 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.795 -8.093 1.138 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.302 -7.689 0.064 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.980 -8.203 0.029 1.00 0.00 C ATOM 0 H PHE A 75 1.880 -5.779 4.078 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.108 -4.166 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.203 -6.827 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.566 -6.201 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.980 -7.378 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.763 -6.652 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.795 -8.500 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.945 -7.780 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.344 -8.690 -0.864 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.197 -3.843 6.149 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.841 -2.963 7.173 1.00 0.00 C ATOM 1167 C VAL A 76 -0.839 -1.522 6.637 1.00 0.00 C ATOM 1168 O VAL A 76 0.208 -1.048 6.263 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.118 -3.012 8.580 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.770 -2.043 9.598 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.087 -4.441 9.157 1.00 0.00 C ATOM 0 H VAL A 76 0.684 -4.262 6.448 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.855 -3.326 7.338 1.00 0.00 H new ATOM 0 HB VAL A 76 0.909 -2.688 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.244 -2.108 10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.710 -1.023 9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.815 -2.316 9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.417 -4.432 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.107 -4.805 9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.450 -5.098 8.473 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.001 -0.845 6.636 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.208 0.410 5.879 1.00 0.00 C ATOM 1183 C LEU A 77 -1.207 1.524 6.272 1.00 0.00 C ATOM 1184 O LEU A 77 -0.753 2.271 5.405 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.667 0.912 6.044 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.806 -0.116 5.727 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.183 0.579 5.660 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.518 -0.928 4.440 1.00 0.00 C ATOM 0 H LEU A 77 -2.823 -1.149 7.157 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.023 0.175 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.795 1.255 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.803 1.780 5.399 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.832 -0.829 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.953 -0.160 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.399 1.052 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.171 1.336 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.335 -1.627 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.430 -0.248 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.586 -1.481 4.560 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.898 1.631 7.583 1.00 0.00 N ATOM 1201 CA LYS A 78 0.112 2.594 8.095 1.00 0.00 C ATOM 1202 C LYS A 78 1.548 2.219 7.657 1.00 0.00 C ATOM 1203 O LYS A 78 2.355 3.100 7.350 1.00 0.00 O ATOM 1204 CB LYS A 78 0.026 2.706 9.643 1.00 0.00 C ATOM 1205 CG LYS A 78 0.294 1.400 10.422 1.00 0.00 C ATOM 1206 CD LYS A 78 0.065 1.543 11.945 1.00 0.00 C ATOM 1207 CE LYS A 78 0.432 0.260 12.722 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.884 -0.077 12.621 1.00 0.00 N ATOM 0 H LYS A 78 -1.333 1.063 8.310 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.117 3.566 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.740 3.459 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.967 3.069 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.355 0.614 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.321 1.082 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.660 2.375 12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.981 1.789 12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.164 0.386 13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.158 -0.573 12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.093 -0.896 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.119 -0.307 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.452 0.737 12.931 1.00 0.00 H new ATOM 1222 N ASN A 79 1.847 0.904 7.642 1.00 0.00 N ATOM 1223 CA ASN A 79 3.173 0.372 7.250 1.00 0.00 C ATOM 1224 C ASN A 79 3.390 0.554 5.744 1.00 0.00 C ATOM 1225 O ASN A 79 4.455 0.981 5.323 1.00 0.00 O ATOM 1226 CB ASN A 79 3.306 -1.127 7.643 1.00 0.00 C ATOM 1227 CG ASN A 79 3.367 -1.372 9.154 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.804 -0.621 9.945 1.00 0.00 O ATOM 1229 ND2 ASN A 79 4.034 -2.442 9.569 1.00 0.00 N ATOM 0 H ASN A 79 1.178 0.179 7.901 1.00 0.00 H new ATOM 0 HA ASN A 79 3.941 0.931 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.460 -1.677 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.206 -1.534 7.183 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.087 -2.655 10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.494 -3.051 8.892 1.00 0.00 H new ATOM 1236 N LEU A 80 2.365 0.189 4.962 1.00 0.00 N ATOM 1237 CA LEU A 80 2.262 0.452 3.516 1.00 0.00 C ATOM 1238 C LEU A 80 2.491 1.935 3.214 1.00 0.00 C ATOM 1239 O LEU A 80 3.312 2.276 2.373 1.00 0.00 O ATOM 1240 CB LEU A 80 0.856 0.022 3.007 1.00 0.00 C ATOM 1241 CG LEU A 80 0.574 0.243 1.484 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.476 -0.647 0.596 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.919 0.047 1.159 1.00 0.00 C ATOM 0 H LEU A 80 1.557 -0.314 5.328 1.00 0.00 H new ATOM 0 HA LEU A 80 3.031 -0.126 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.720 -1.036 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.104 0.567 3.577 1.00 0.00 H new ATOM 0 HG LEU A 80 0.827 1.278 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.248 -0.463 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.523 -0.410 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.293 -1.696 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.083 0.207 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.219 -0.967 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.512 0.762 1.729 1.00 0.00 H new ATOM 1255 N ALA A 81 1.787 2.799 3.962 1.00 0.00 N ATOM 1256 CA ALA A 81 1.861 4.262 3.796 1.00 0.00 C ATOM 1257 C ALA A 81 3.259 4.782 4.156 1.00 0.00 C ATOM 1258 O ALA A 81 3.693 5.792 3.624 1.00 0.00 O ATOM 1259 CB ALA A 81 0.780 4.952 4.642 1.00 0.00 C ATOM 0 H ALA A 81 1.149 2.504 4.701 1.00 0.00 H new ATOM 0 HA ALA A 81 1.677 4.500 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.848 6.032 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.205 4.608 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.929 4.706 5.693 1.00 0.00 H new ATOM 1265 N ALA A 82 3.948 4.071 5.061 1.00 0.00 N ATOM 1266 CA ALA A 82 5.331 4.401 5.448 1.00 0.00 C ATOM 1267 C ALA A 82 6.328 3.961 4.348 1.00 0.00 C ATOM 1268 O ALA A 82 7.305 4.669 4.073 1.00 0.00 O ATOM 1269 CB ALA A 82 5.665 3.757 6.801 1.00 0.00 C ATOM 0 H ALA A 82 3.567 3.257 5.543 1.00 0.00 H new ATOM 0 HA ALA A 82 5.421 5.482 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.689 4.006 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.981 4.133 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.563 2.675 6.724 1.00 0.00 H new ATOM 1275 N ARG A 83 6.085 2.778 3.741 1.00 0.00 N ATOM 1276 CA ARG A 83 6.871 2.282 2.584 1.00 0.00 C ATOM 1277 C ARG A 83 6.786 3.269 1.395 1.00 0.00 C ATOM 1278 O ARG A 83 7.784 3.557 0.726 1.00 0.00 O ATOM 1279 CB ARG A 83 6.348 0.888 2.120 1.00 0.00 C ATOM 1280 CG ARG A 83 6.387 -0.270 3.161 1.00 0.00 C ATOM 1281 CD ARG A 83 7.767 -0.431 3.821 1.00 0.00 C ATOM 1282 NE ARG A 83 8.860 -0.455 2.825 1.00 0.00 N ATOM 1283 CZ ARG A 83 9.995 0.260 2.902 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.305 0.949 3.995 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.830 0.261 1.887 1.00 0.00 N ATOM 0 H ARG A 83 5.344 2.142 4.035 1.00 0.00 H new ATOM 0 HA ARG A 83 7.908 2.194 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.317 1.008 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.930 0.581 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.640 -0.084 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.113 -1.204 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.932 0.389 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.786 -1.353 4.401 1.00 0.00 H new ATOM 0 HE ARG A 83 8.743 -1.063 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.676 0.942 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.172 1.485 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.614 -0.278 1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.694 0.801 1.938 1.00 0.00 H new ATOM 1299 N ILE A 84 5.564 3.755 1.157 1.00 0.00 N ATOM 1300 CA ILE A 84 5.249 4.717 0.084 1.00 0.00 C ATOM 1301 C ILE A 84 5.815 6.103 0.428 1.00 0.00 C ATOM 1302 O ILE A 84 6.278 6.810 -0.454 1.00 0.00 O ATOM 1303 CB ILE A 84 3.698 4.780 -0.144 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.170 3.368 -0.544 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.285 5.848 -1.199 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.670 3.224 -0.486 1.00 0.00 C ATOM 0 H ILE A 84 4.749 3.490 1.711 1.00 0.00 H new ATOM 0 HA ILE A 84 5.716 4.383 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 84 3.240 5.089 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.506 3.141 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.620 2.625 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.201 5.845 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.612 6.833 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.752 5.614 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.390 2.212 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.325 3.416 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.209 3.940 -1.167 1.00 0.00 H new ATOM 1318 N ASP A 85 5.739 6.475 1.718 1.00 0.00 N ATOM 1319 CA ASP A 85 6.415 7.674 2.271 1.00 0.00 C ATOM 1320 C ASP A 85 7.928 7.670 1.972 1.00 0.00 C ATOM 1321 O ASP A 85 8.510 8.716 1.678 1.00 0.00 O ATOM 1322 CB ASP A 85 6.161 7.766 3.801 1.00 0.00 C ATOM 1323 CG ASP A 85 6.794 9.000 4.462 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.221 10.104 4.353 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.870 8.874 5.088 1.00 0.00 O ATOM 0 H ASP A 85 5.206 5.954 2.414 1.00 0.00 H new ATOM 0 HA ASP A 85 5.992 8.552 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.086 7.780 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.552 6.868 4.279 1.00 0.00 H new ATOM 1330 N GLU A 86 8.543 6.479 2.050 1.00 0.00 N ATOM 1331 CA GLU A 86 9.965 6.303 1.715 1.00 0.00 C ATOM 1332 C GLU A 86 10.191 6.476 0.186 1.00 0.00 C ATOM 1333 O GLU A 86 11.190 7.061 -0.231 1.00 0.00 O ATOM 1334 CB GLU A 86 10.448 4.908 2.193 1.00 0.00 C ATOM 1335 CG GLU A 86 11.970 4.692 2.085 1.00 0.00 C ATOM 1336 CD GLU A 86 12.413 3.269 2.454 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.449 2.936 3.663 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.726 2.471 1.541 1.00 0.00 O ATOM 0 H GLU A 86 8.076 5.621 2.343 1.00 0.00 H new ATOM 0 HA GLU A 86 10.549 7.068 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.146 4.768 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.942 4.141 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.289 4.911 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.477 5.403 2.737 1.00 0.00 H new ATOM 1345 N LEU A 87 9.260 5.926 -0.629 1.00 0.00 N ATOM 1346 CA LEU A 87 9.282 6.032 -2.115 1.00 0.00 C ATOM 1347 C LEU A 87 9.112 7.488 -2.620 1.00 0.00 C ATOM 1348 O LEU A 87 9.793 7.912 -3.562 1.00 0.00 O ATOM 1349 CB LEU A 87 8.174 5.116 -2.713 1.00 0.00 C ATOM 1350 CG LEU A 87 8.406 3.579 -2.545 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.131 2.767 -2.870 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.605 3.111 -3.407 1.00 0.00 C ATOM 0 H LEU A 87 8.466 5.392 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 87 10.265 5.703 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.223 5.375 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.079 5.337 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 87 8.644 3.392 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.334 1.704 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.327 3.067 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.832 2.957 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.750 2.039 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.404 3.325 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.506 3.640 -3.095 1.00 0.00 H new ATOM 1364 N VAL A 88 8.181 8.244 -2.007 1.00 0.00 N ATOM 1365 CA VAL A 88 7.924 9.651 -2.382 1.00 0.00 C ATOM 1366 C VAL A 88 9.039 10.560 -1.837 1.00 0.00 C ATOM 1367 O VAL A 88 9.320 11.621 -2.404 1.00 0.00 O ATOM 1368 CB VAL A 88 6.501 10.154 -1.914 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.378 9.270 -2.512 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.380 10.219 -0.376 1.00 0.00 C ATOM 0 H VAL A 88 7.592 7.904 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 88 7.926 9.702 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 88 6.384 11.170 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.408 9.636 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.423 9.311 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.511 8.240 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.385 10.570 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.542 9.226 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.128 10.907 0.019 1.00 0.00 H new ATOM 1380 N ALA A 89 9.677 10.121 -0.737 1.00 0.00 N ATOM 1381 CA ALA A 89 10.881 10.774 -0.207 1.00 0.00 C ATOM 1382 C ALA A 89 12.074 10.517 -1.145 1.00 0.00 C ATOM 1383 O ALA A 89 12.917 11.380 -1.305 1.00 0.00 O ATOM 1384 CB ALA A 89 11.184 10.274 1.213 1.00 0.00 C ATOM 0 H ALA A 89 9.374 9.311 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 89 10.706 11.849 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.079 10.769 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.342 10.502 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.346 9.196 1.192 1.00 0.00 H new ATOM 1390 N ALA A 90 12.136 9.300 -1.730 1.00 0.00 N ATOM 1391 CA ALA A 90 13.170 8.915 -2.722 1.00 0.00 C ATOM 1392 C ALA A 90 13.189 9.840 -3.967 1.00 0.00 C ATOM 1393 O ALA A 90 14.267 10.294 -4.383 1.00 0.00 O ATOM 1394 CB ALA A 90 12.992 7.444 -3.136 1.00 0.00 C ATOM 0 H ALA A 90 11.470 8.554 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 90 14.137 9.036 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.758 7.176 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.086 6.805 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.006 7.308 -3.580 1.00 0.00 H new