USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 79 THR OG1 : rot 40:sc= 0.736 USER MOD Set 1.2: A 82 THR OG1 : rot 63:sc= 0.335! USER MOD Set 2.1: A 68 ASN : amide:sc= -0.475 K(o=-1.8,f=-11!) USER MOD Set 2.2: A 78 MET CE :methyl -123:sc= -1.32 (180deg=-1.42!) USER MOD Single : A 9 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.5!) USER MOD Single : A 10 SER OG : rot -100:sc= 1.26 USER MOD Single : A 13 TYR OH : rot -149:sc= -0.855 USER MOD Single : A 18 GLN : amide:sc= -0.0715 K(o=-0.071,f=-0.96) USER MOD Single : A 21 GLN : amide:sc= -6.8! C(o=-6.8!,f=-9.5!) USER MOD Single : A 22 SER OG : rot -90:sc= 0.776 USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0503 (180deg=-0.408) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -33! C(o=-33!,f=-35!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 46:sc= -0.437 USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.0863 USER MOD Single : A 64 ASN : amide:sc= -5.52! C(o=-5.5!,f=-19!) USER MOD Single : A 72 GLN : amide:sc= -3.99! C(o=-4!,f=-3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -90:sc= 0.149 USER MOD Single : A 85 SER OG : rot -120:sc= -1.76! USER MOD Single : A 87 GLN : amide:sc=-0.00496 X(o=-0.005,f=-0.019) USER MOD Single : A 93 SER OG : rot -100:sc= 1.06 USER MOD Single : A 94 MET CE :methyl -168:sc= -7.47! (180deg=-8.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.117 14.051 -4.697 1.00 0.00 N ATOM 2 CA PRO A 1 4.562 14.046 -3.274 1.00 0.00 C ATOM 3 C PRO A 1 5.849 13.286 -3.059 1.00 0.00 C ATOM 4 O PRO A 1 6.588 12.985 -3.993 1.00 0.00 O ATOM 5 CB PRO A 1 3.465 13.369 -2.481 1.00 0.00 C ATOM 6 CG PRO A 1 2.285 13.543 -3.334 1.00 0.00 C ATOM 7 CD PRO A 1 2.816 13.342 -4.724 1.00 0.00 C ATOM 0 H2 PRO A 1 4.799 13.584 -5.294 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.020 15.005 -5.045 1.00 0.00 H new ATOM 0 HA PRO A 1 4.747 15.074 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.685 12.316 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.329 13.833 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.507 12.818 -3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.846 14.533 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.939 12.285 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.146 13.760 -5.475 1.00 0.00 H new ATOM 17 N ARG A 2 6.068 12.958 -1.797 1.00 0.00 N ATOM 18 CA ARG A 2 7.236 12.184 -1.370 1.00 0.00 C ATOM 19 C ARG A 2 6.733 10.871 -0.797 1.00 0.00 C ATOM 20 O ARG A 2 5.551 10.775 -0.467 1.00 0.00 O ATOM 21 CB ARG A 2 8.038 12.970 -0.322 1.00 0.00 C ATOM 22 CG ARG A 2 8.977 12.117 0.520 1.00 0.00 C ATOM 23 CD ARG A 2 10.295 11.868 -0.194 1.00 0.00 C ATOM 24 NE ARG A 2 11.428 11.889 0.726 1.00 0.00 N ATOM 25 CZ ARG A 2 12.666 11.551 0.376 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.921 11.161 -0.864 1.00 0.00 N ATOM 27 NH2 ARG A 2 13.646 11.601 1.266 1.00 0.00 N ATOM 0 H ARG A 2 5.444 13.218 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 2 7.901 11.992 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.621 13.738 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.342 13.484 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.166 12.613 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.499 11.164 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.257 10.903 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.439 12.626 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 2 11.261 12.179 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.168 11.120 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.870 10.902 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.452 11.899 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.595 11.341 0.995 1.00 0.00 H new ATOM 41 N VAL A 3 7.563 9.837 -0.693 1.00 0.00 N ATOM 42 CA VAL A 3 7.042 8.604 -0.173 1.00 0.00 C ATOM 43 C VAL A 3 8.127 7.689 0.348 1.00 0.00 C ATOM 44 O VAL A 3 9.310 7.862 0.073 1.00 0.00 O ATOM 45 CB VAL A 3 6.186 7.924 -1.258 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.270 6.431 -1.265 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.757 8.280 -1.074 1.00 0.00 C ATOM 0 H VAL A 3 8.550 9.835 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 3 6.415 8.829 0.690 1.00 0.00 H new ATOM 0 HB VAL A 3 6.589 8.288 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.637 6.035 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.302 6.125 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.932 6.043 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.159 7.795 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.422 7.946 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.639 9.361 -1.149 1.00 0.00 H new ATOM 57 N VAL A 4 7.707 6.703 1.103 1.00 0.00 N ATOM 58 CA VAL A 4 8.649 5.750 1.650 1.00 0.00 C ATOM 59 C VAL A 4 8.016 4.396 1.844 1.00 0.00 C ATOM 60 O VAL A 4 7.195 4.197 2.725 1.00 0.00 O ATOM 61 CB VAL A 4 9.288 6.238 2.962 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.865 5.067 3.747 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.372 7.249 2.646 1.00 0.00 C ATOM 0 H VAL A 4 6.732 6.538 1.352 1.00 0.00 H new ATOM 0 HA VAL A 4 9.448 5.656 0.915 1.00 0.00 H new ATOM 0 HB VAL A 4 8.522 6.710 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.312 5.433 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.069 4.361 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.627 4.568 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.827 7.597 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.134 6.783 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.936 8.096 2.116 1.00 0.00 H new ATOM 73 N PHE A 5 8.448 3.469 1.020 1.00 0.00 N ATOM 74 CA PHE A 5 7.971 2.102 1.059 1.00 0.00 C ATOM 75 C PHE A 5 8.856 1.283 1.993 1.00 0.00 C ATOM 76 O PHE A 5 9.888 1.760 2.458 1.00 0.00 O ATOM 77 CB PHE A 5 8.079 1.488 -0.325 1.00 0.00 C ATOM 78 CG PHE A 5 7.066 1.926 -1.346 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.490 3.201 -1.356 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.731 1.046 -2.361 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.605 3.556 -2.357 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.853 1.391 -3.346 1.00 0.00 C ATOM 83 CZ PHE A 5 5.285 2.646 -3.354 1.00 0.00 C ATOM 0 H PHE A 5 9.146 3.642 0.297 1.00 0.00 H new ATOM 0 HA PHE A 5 6.937 2.100 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.072 1.708 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.010 0.405 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.737 3.910 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.176 0.062 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.163 4.541 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.603 0.680 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.592 2.921 -4.135 1.00 0.00 H new ATOM 93 N ILE A 6 8.461 0.042 2.225 1.00 0.00 N ATOM 94 CA ILE A 6 9.201 -0.877 3.053 1.00 0.00 C ATOM 95 C ILE A 6 8.888 -2.309 2.641 1.00 0.00 C ATOM 96 O ILE A 6 7.904 -2.556 1.945 1.00 0.00 O ATOM 97 CB ILE A 6 8.861 -0.720 4.532 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.750 0.755 4.911 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.924 -1.405 5.342 1.00 0.00 C ATOM 100 CD1 ILE A 6 10.076 1.453 5.003 1.00 0.00 C ATOM 0 H ILE A 6 7.606 -0.354 1.835 1.00 0.00 H new ATOM 0 HA ILE A 6 10.258 -0.652 2.913 1.00 0.00 H new ATOM 0 HB ILE A 6 7.894 -1.179 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.130 1.265 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.238 0.838 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.696 -1.302 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.957 -2.462 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.891 -0.948 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.920 2.497 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.691 0.968 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.582 1.402 4.039 1.00 0.00 H new ATOM 112 N ASP A 7 9.713 -3.254 3.070 1.00 0.00 N ATOM 113 CA ASP A 7 9.488 -4.650 2.730 1.00 0.00 C ATOM 114 C ASP A 7 10.422 -5.569 3.510 1.00 0.00 C ATOM 115 O ASP A 7 11.086 -5.141 4.455 1.00 0.00 O ATOM 116 CB ASP A 7 9.661 -4.851 1.226 1.00 0.00 C ATOM 117 CG ASP A 7 8.793 -5.967 0.680 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.738 -7.042 1.314 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.169 -5.767 -0.383 1.00 0.00 O ATOM 0 H ASP A 7 10.536 -3.082 3.648 1.00 0.00 H new ATOM 0 HA ASP A 7 8.467 -4.912 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.419 -3.922 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.707 -5.072 1.011 1.00 0.00 H new ATOM 124 N GLU A 8 10.453 -6.836 3.116 1.00 0.00 N ATOM 125 CA GLU A 8 11.283 -7.826 3.778 1.00 0.00 C ATOM 126 C GLU A 8 12.495 -8.196 2.926 1.00 0.00 C ATOM 127 O GLU A 8 13.324 -9.012 3.330 1.00 0.00 O ATOM 128 CB GLU A 8 10.451 -9.073 4.072 1.00 0.00 C ATOM 129 CG GLU A 8 11.287 -10.278 4.450 1.00 0.00 C ATOM 130 CD GLU A 8 10.615 -11.152 5.489 1.00 0.00 C ATOM 131 OE1 GLU A 8 9.586 -11.778 5.160 1.00 0.00 O ATOM 132 OE2 GLU A 8 11.117 -11.209 6.631 1.00 0.00 O ATOM 0 H GLU A 8 9.907 -7.201 2.335 1.00 0.00 H new ATOM 0 HA GLU A 8 11.650 -7.398 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.755 -8.854 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.852 -9.316 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.488 -10.870 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.251 -9.941 4.832 1.00 0.00 H new ATOM 139 N GLN A 9 12.598 -7.591 1.749 1.00 0.00 N ATOM 140 CA GLN A 9 13.714 -7.861 0.851 1.00 0.00 C ATOM 141 C GLN A 9 14.868 -6.910 1.138 1.00 0.00 C ATOM 142 O GLN A 9 16.035 -7.303 1.120 1.00 0.00 O ATOM 143 CB GLN A 9 13.274 -7.724 -0.608 1.00 0.00 C ATOM 144 CG GLN A 9 12.490 -8.920 -1.122 1.00 0.00 C ATOM 145 CD GLN A 9 13.270 -9.735 -2.136 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.453 -9.490 -2.370 1.00 0.00 O ATOM 147 NE2 GLN A 9 12.607 -10.712 -2.744 1.00 0.00 N ATOM 0 H GLN A 9 11.924 -6.912 1.395 1.00 0.00 H new ATOM 0 HA GLN A 9 14.050 -8.884 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.663 -6.828 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.156 -7.582 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.215 -9.558 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.562 -8.574 -1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.626 -10.880 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.078 -11.295 -3.436 1.00 0.00 H new ATOM 156 N SER A 10 14.530 -5.655 1.404 1.00 0.00 N ATOM 157 CA SER A 10 15.531 -4.637 1.698 1.00 0.00 C ATOM 158 C SER A 10 15.243 -3.956 3.035 1.00 0.00 C ATOM 159 O SER A 10 16.126 -3.340 3.632 1.00 0.00 O ATOM 160 CB SER A 10 15.570 -3.597 0.580 1.00 0.00 C ATOM 161 OG SER A 10 15.604 -2.282 1.105 1.00 0.00 O ATOM 0 H SER A 10 13.568 -5.317 1.422 1.00 0.00 H new ATOM 0 HA SER A 10 16.503 -5.127 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.447 -3.764 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.695 -3.714 -0.060 1.00 0.00 H new ATOM 0 HG SER A 10 14.706 -1.891 1.065 1.00 0.00 H new ATOM 167 N GLY A 11 14.001 -4.071 3.495 1.00 0.00 N ATOM 168 CA GLY A 11 13.610 -3.465 4.752 1.00 0.00 C ATOM 169 C GLY A 11 13.348 -1.982 4.620 1.00 0.00 C ATOM 170 O GLY A 11 13.315 -1.255 5.613 1.00 0.00 O ATOM 0 H GLY A 11 13.256 -4.576 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.713 -3.958 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.395 -3.628 5.491 1.00 0.00 H new ATOM 174 N GLU A 12 13.147 -1.539 3.390 1.00 0.00 N ATOM 175 CA GLU A 12 12.869 -0.135 3.118 1.00 0.00 C ATOM 176 C GLU A 12 12.952 0.173 1.638 1.00 0.00 C ATOM 177 O GLU A 12 13.774 -0.385 0.911 1.00 0.00 O ATOM 178 CB GLU A 12 13.821 0.772 3.887 1.00 0.00 C ATOM 179 CG GLU A 12 13.812 2.206 3.384 1.00 0.00 C ATOM 180 CD GLU A 12 14.670 3.127 4.228 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.155 3.660 5.234 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.856 3.314 3.885 1.00 0.00 O ATOM 0 H GLU A 12 13.171 -2.132 2.560 1.00 0.00 H new ATOM 0 HA GLU A 12 11.850 0.058 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.550 0.762 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.833 0.373 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.168 2.228 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.787 2.577 3.375 1.00 0.00 H new ATOM 189 N TYR A 13 12.075 1.061 1.205 1.00 0.00 N ATOM 190 CA TYR A 13 12.013 1.459 -0.183 1.00 0.00 C ATOM 191 C TYR A 13 11.565 2.910 -0.319 1.00 0.00 C ATOM 192 O TYR A 13 10.551 3.208 -0.950 1.00 0.00 O ATOM 193 CB TYR A 13 11.067 0.520 -0.908 1.00 0.00 C ATOM 194 CG TYR A 13 11.642 -0.858 -1.066 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.627 -1.761 -0.009 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.210 -1.253 -2.263 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.165 -3.030 -0.148 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.755 -2.508 -2.414 1.00 0.00 C ATOM 199 CZ TYR A 13 12.730 -3.401 -1.354 1.00 0.00 C ATOM 200 OH TYR A 13 13.279 -4.656 -1.491 1.00 0.00 O ATOM 0 H TYR A 13 11.391 1.522 1.805 1.00 0.00 H new ATOM 0 HA TYR A 13 13.005 1.394 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.128 0.459 -0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.835 0.929 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.190 -1.469 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.226 -0.564 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.143 -3.724 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.200 -2.796 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 13 14.019 -4.621 -2.133 1.00 0.00 H new ATOM 210 N ALA A 14 12.342 3.808 0.280 1.00 0.00 N ATOM 211 CA ALA A 14 12.051 5.239 0.235 1.00 0.00 C ATOM 212 C ALA A 14 11.786 5.684 -1.189 1.00 0.00 C ATOM 213 O ALA A 14 12.396 5.178 -2.131 1.00 0.00 O ATOM 214 CB ALA A 14 13.197 6.036 0.838 1.00 0.00 C ATOM 0 H ALA A 14 13.183 3.569 0.805 1.00 0.00 H new ATOM 0 HA ALA A 14 11.154 5.425 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.962 7.100 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.341 5.737 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.110 5.843 0.275 1.00 0.00 H new ATOM 220 N VAL A 15 10.854 6.612 -1.347 1.00 0.00 N ATOM 221 CA VAL A 15 10.499 7.089 -2.666 1.00 0.00 C ATOM 222 C VAL A 15 9.653 8.346 -2.614 1.00 0.00 C ATOM 223 O VAL A 15 9.728 9.145 -1.685 1.00 0.00 O ATOM 224 CB VAL A 15 9.776 5.965 -3.437 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.330 5.772 -2.982 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.853 6.190 -4.939 1.00 0.00 C ATOM 0 H VAL A 15 10.336 7.044 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 15 11.416 7.358 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 15 10.303 5.040 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.871 4.969 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.313 5.514 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.773 6.696 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.335 5.382 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.382 7.141 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.897 6.209 -5.251 1.00 0.00 H new ATOM 236 N ASP A 16 8.873 8.513 -3.641 1.00 0.00 N ATOM 237 CA ASP A 16 8.005 9.633 -3.797 1.00 0.00 C ATOM 238 C ASP A 16 6.972 9.277 -4.814 1.00 0.00 C ATOM 239 O ASP A 16 7.132 8.327 -5.573 1.00 0.00 O ATOM 240 CB ASP A 16 8.750 10.835 -4.302 1.00 0.00 C ATOM 241 CG ASP A 16 10.150 10.951 -3.732 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.981 10.062 -4.011 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.415 11.932 -3.006 1.00 0.00 O ATOM 0 H ASP A 16 8.825 7.850 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 16 7.565 9.871 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.810 10.787 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.187 11.735 -4.053 1.00 0.00 H new ATOM 248 N ALA A 17 5.917 10.023 -4.824 1.00 0.00 N ATOM 249 CA ALA A 17 4.855 9.764 -5.742 1.00 0.00 C ATOM 250 C ALA A 17 4.264 11.048 -6.285 1.00 0.00 C ATOM 251 O ALA A 17 4.759 12.139 -6.012 1.00 0.00 O ATOM 252 CB ALA A 17 3.834 8.961 -4.999 1.00 0.00 C ATOM 0 H ALA A 17 5.766 10.820 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 17 5.220 9.216 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.997 8.736 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.284 8.030 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.476 9.531 -4.142 1.00 0.00 H new ATOM 258 N GLN A 18 3.195 10.908 -7.044 1.00 0.00 N ATOM 259 CA GLN A 18 2.508 12.053 -7.618 1.00 0.00 C ATOM 260 C GLN A 18 1.009 11.839 -7.562 1.00 0.00 C ATOM 261 O GLN A 18 0.518 10.743 -7.838 1.00 0.00 O ATOM 262 CB GLN A 18 2.942 12.290 -9.062 1.00 0.00 C ATOM 263 CG GLN A 18 4.395 11.953 -9.324 1.00 0.00 C ATOM 264 CD GLN A 18 5.295 13.174 -9.287 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.938 14.206 -8.717 1.00 0.00 O ATOM 266 NE2 GLN A 18 6.470 13.061 -9.895 1.00 0.00 N ATOM 0 H GLN A 18 2.779 10.007 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 18 2.772 12.934 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.315 11.692 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.769 13.335 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.736 11.232 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.482 11.472 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.724 12.187 -10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.118 13.848 -9.902 1.00 0.00 H new ATOM 275 N ASP A 19 0.284 12.882 -7.206 1.00 0.00 N ATOM 276 CA ASP A 19 -1.163 12.782 -7.121 1.00 0.00 C ATOM 277 C ASP A 19 -1.691 12.021 -8.322 1.00 0.00 C ATOM 278 O ASP A 19 -1.687 12.523 -9.447 1.00 0.00 O ATOM 279 CB ASP A 19 -1.813 14.159 -7.013 1.00 0.00 C ATOM 280 CG ASP A 19 -0.959 15.151 -6.249 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.238 14.724 -5.323 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.011 16.357 -6.577 1.00 0.00 O ATOM 0 H ASP A 19 0.666 13.799 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.421 12.236 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.004 14.546 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.780 14.062 -6.519 1.00 0.00 H new ATOM 287 N GLY A 20 -2.121 10.794 -8.071 1.00 0.00 N ATOM 288 CA GLY A 20 -2.623 9.951 -9.130 1.00 0.00 C ATOM 289 C GLY A 20 -1.855 8.647 -9.240 1.00 0.00 C ATOM 290 O GLY A 20 -2.130 7.836 -10.122 1.00 0.00 O ATOM 0 H GLY A 20 -2.130 10.367 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.677 9.736 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.563 10.487 -10.077 1.00 0.00 H new ATOM 294 N GLN A 21 -0.899 8.429 -8.332 1.00 0.00 N ATOM 295 CA GLN A 21 -0.122 7.197 -8.340 1.00 0.00 C ATOM 296 C GLN A 21 -0.320 6.431 -7.043 1.00 0.00 C ATOM 297 O GLN A 21 -0.448 7.026 -5.972 1.00 0.00 O ATOM 298 CB GLN A 21 1.363 7.493 -8.537 1.00 0.00 C ATOM 299 CG GLN A 21 1.691 8.137 -9.872 1.00 0.00 C ATOM 300 CD GLN A 21 2.935 9.001 -9.813 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.157 9.849 -10.678 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.752 8.792 -8.789 1.00 0.00 N ATOM 0 H GLN A 21 -0.650 9.085 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.474 6.587 -9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.702 8.149 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.924 6.563 -8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.829 7.359 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.846 8.745 -10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.528 8.078 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.604 9.345 -8.695 1.00 0.00 H new ATOM 311 N SER A 22 -0.343 5.109 -7.141 1.00 0.00 N ATOM 312 CA SER A 22 -0.524 4.269 -5.968 1.00 0.00 C ATOM 313 C SER A 22 0.821 3.768 -5.455 1.00 0.00 C ATOM 314 O SER A 22 1.860 4.069 -6.040 1.00 0.00 O ATOM 315 CB SER A 22 -1.432 3.082 -6.298 1.00 0.00 C ATOM 316 OG SER A 22 -1.269 2.677 -7.646 1.00 0.00 O ATOM 0 H SER A 22 -0.239 4.598 -8.017 1.00 0.00 H new ATOM 0 HA SER A 22 -0.994 4.868 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.203 2.249 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.472 3.355 -6.120 1.00 0.00 H new ATOM 0 HG SER A 22 -1.897 3.170 -8.214 1.00 0.00 H new ATOM 322 N LEU A 23 0.799 2.996 -4.369 1.00 0.00 N ATOM 323 CA LEU A 23 2.037 2.455 -3.799 1.00 0.00 C ATOM 324 C LEU A 23 2.514 1.249 -4.599 1.00 0.00 C ATOM 325 O LEU A 23 3.543 0.650 -4.285 1.00 0.00 O ATOM 326 CB LEU A 23 1.838 2.081 -2.319 1.00 0.00 C ATOM 327 CG LEU A 23 2.197 0.636 -1.920 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.610 0.564 -1.369 1.00 0.00 C ATOM 329 CD2 LEU A 23 1.190 0.107 -0.908 1.00 0.00 C ATOM 0 H LEU A 23 -0.050 2.732 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 23 2.804 3.228 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.436 2.761 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.794 2.257 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 23 2.155 0.008 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.841 -0.465 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.314 0.904 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.690 1.201 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.453 -0.914 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.203 0.737 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.192 0.119 -1.347 1.00 0.00 H new ATOM 341 N MET A 24 1.767 0.898 -5.633 1.00 0.00 N ATOM 342 CA MET A 24 2.120 -0.232 -6.475 1.00 0.00 C ATOM 343 C MET A 24 2.979 0.247 -7.628 1.00 0.00 C ATOM 344 O MET A 24 3.895 -0.446 -8.072 1.00 0.00 O ATOM 345 CB MET A 24 0.862 -0.925 -7.007 1.00 0.00 C ATOM 346 CG MET A 24 1.133 -1.859 -8.175 1.00 0.00 C ATOM 347 SD MET A 24 0.796 -1.089 -9.770 1.00 0.00 S ATOM 348 CE MET A 24 2.262 -1.555 -10.688 1.00 0.00 C ATOM 0 H MET A 24 0.912 1.380 -5.909 1.00 0.00 H new ATOM 0 HA MET A 24 2.680 -0.954 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.399 -1.491 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.143 -0.167 -7.317 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.174 -2.181 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.519 -2.753 -8.070 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.063 -1.475 -11.757 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.085 -0.891 -10.421 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.532 -2.583 -10.445 1.00 0.00 H new ATOM 358 N GLU A 25 2.675 1.446 -8.101 1.00 0.00 N ATOM 359 CA GLU A 25 3.420 2.036 -9.198 1.00 0.00 C ATOM 360 C GLU A 25 4.692 2.680 -8.710 1.00 0.00 C ATOM 361 O GLU A 25 5.736 2.533 -9.344 1.00 0.00 O ATOM 362 CB GLU A 25 2.562 3.043 -9.964 1.00 0.00 C ATOM 363 CG GLU A 25 1.160 2.539 -10.264 1.00 0.00 C ATOM 364 CD GLU A 25 0.390 3.467 -11.185 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.594 3.386 -12.415 1.00 0.00 O ATOM 366 OE2 GLU A 25 -0.418 4.272 -10.676 1.00 0.00 O ATOM 0 H GLU A 25 1.918 2.028 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 25 3.693 1.232 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.493 3.964 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.058 3.293 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.223 1.551 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.612 2.424 -9.329 1.00 0.00 H new ATOM 373 N VAL A 26 4.647 3.373 -7.580 1.00 0.00 N ATOM 374 CA VAL A 26 5.872 3.961 -7.096 1.00 0.00 C ATOM 375 C VAL A 26 6.911 2.871 -7.036 1.00 0.00 C ATOM 376 O VAL A 26 7.956 2.935 -7.666 1.00 0.00 O ATOM 377 CB VAL A 26 5.789 4.598 -5.705 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.575 5.870 -5.721 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.390 4.877 -5.266 1.00 0.00 C ATOM 0 H VAL A 26 3.816 3.533 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 26 6.114 4.768 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 26 6.199 3.885 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.528 6.339 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.614 5.653 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.157 6.547 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.403 5.327 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.918 5.563 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.826 3.945 -5.234 1.00 0.00 H new ATOM 389 N ALA A 27 6.575 1.859 -6.261 1.00 0.00 N ATOM 390 CA ALA A 27 7.431 0.705 -6.061 1.00 0.00 C ATOM 391 C ALA A 27 8.334 0.448 -7.252 1.00 0.00 C ATOM 392 O ALA A 27 9.541 0.682 -7.197 1.00 0.00 O ATOM 393 CB ALA A 27 6.598 -0.541 -5.810 1.00 0.00 C ATOM 0 H ALA A 27 5.694 1.813 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 27 8.052 0.927 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.258 -1.396 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.986 -0.396 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.952 -0.725 -6.668 1.00 0.00 H new ATOM 399 N THR A 28 7.739 -0.056 -8.320 1.00 0.00 N ATOM 400 CA THR A 28 8.493 -0.372 -9.522 1.00 0.00 C ATOM 401 C THR A 28 9.380 0.804 -9.901 1.00 0.00 C ATOM 402 O THR A 28 10.466 0.623 -10.454 1.00 0.00 O ATOM 403 CB THR A 28 7.561 -0.732 -10.685 1.00 0.00 C ATOM 404 OG1 THR A 28 7.437 0.355 -11.584 1.00 0.00 O ATOM 405 CG2 THR A 28 6.164 -1.133 -10.260 1.00 0.00 C ATOM 0 H THR A 28 6.740 -0.255 -8.380 1.00 0.00 H new ATOM 0 HA THR A 28 9.118 -1.241 -9.314 1.00 0.00 H new ATOM 0 HB THR A 28 8.031 -1.594 -11.158 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.840 0.105 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.570 -1.372 -11.142 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.218 -2.007 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.697 -0.309 -9.720 1.00 0.00 H new ATOM 413 N GLN A 29 8.922 2.006 -9.577 1.00 0.00 N ATOM 414 CA GLN A 29 9.690 3.215 -9.864 1.00 0.00 C ATOM 415 C GLN A 29 10.788 3.420 -8.822 1.00 0.00 C ATOM 416 O GLN A 29 11.852 3.962 -9.123 1.00 0.00 O ATOM 417 CB GLN A 29 8.776 4.441 -9.915 1.00 0.00 C ATOM 418 CG GLN A 29 7.780 4.411 -11.062 1.00 0.00 C ATOM 419 CD GLN A 29 8.400 4.822 -12.384 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.475 6.007 -12.706 1.00 0.00 O ATOM 421 NE2 GLN A 29 8.849 3.840 -13.159 1.00 0.00 N ATOM 0 H GLN A 29 8.027 2.172 -9.117 1.00 0.00 H new ATOM 0 HA GLN A 29 10.157 3.090 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.231 4.517 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.390 5.338 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.369 3.406 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.948 5.076 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.767 2.871 -12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.276 4.056 -14.060 1.00 0.00 H new ATOM 430 N ASN A 30 10.520 2.979 -7.598 1.00 0.00 N ATOM 431 CA ASN A 30 11.483 3.108 -6.501 1.00 0.00 C ATOM 432 C ASN A 30 12.421 1.907 -6.460 1.00 0.00 C ATOM 433 O ASN A 30 13.198 1.747 -5.520 1.00 0.00 O ATOM 434 CB ASN A 30 10.746 3.201 -5.160 1.00 0.00 C ATOM 435 CG ASN A 30 9.272 3.503 -5.339 1.00 0.00 C ATOM 436 OD1 ASN A 30 8.897 4.265 -6.222 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.438 2.924 -4.492 1.00 0.00 N ATOM 0 H ASN A 30 9.643 2.528 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 30 12.064 4.014 -6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.860 2.262 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.203 3.979 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.436 3.105 -4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.796 2.296 -3.772 1.00 0.00 H new ATOM 444 N GLY A 31 12.320 1.048 -7.469 1.00 0.00 N ATOM 445 CA GLY A 31 13.144 -0.144 -7.505 1.00 0.00 C ATOM 446 C GLY A 31 12.625 -1.194 -6.545 1.00 0.00 C ATOM 447 O GLY A 31 13.296 -2.186 -6.261 1.00 0.00 O ATOM 0 H GLY A 31 11.684 1.156 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.160 -0.548 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.172 0.112 -7.248 1.00 0.00 H new ATOM 451 N VAL A 32 11.420 -0.954 -6.037 1.00 0.00 N ATOM 452 CA VAL A 32 10.774 -1.846 -5.096 1.00 0.00 C ATOM 453 C VAL A 32 10.354 -3.157 -5.760 1.00 0.00 C ATOM 454 O VAL A 32 9.930 -3.180 -6.915 1.00 0.00 O ATOM 455 CB VAL A 32 9.541 -1.154 -4.504 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.016 -1.845 -3.268 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.838 0.296 -4.194 1.00 0.00 C ATOM 0 H VAL A 32 10.866 -0.130 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 32 11.489 -2.083 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 32 8.762 -1.213 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.143 -1.309 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.735 -2.869 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.790 -1.856 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.949 0.768 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.654 0.354 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.125 0.812 -5.110 1.00 0.00 H new ATOM 467 N PRO A 33 10.510 -4.264 -5.023 1.00 0.00 N ATOM 468 CA PRO A 33 10.201 -5.640 -5.468 1.00 0.00 C ATOM 469 C PRO A 33 8.791 -5.865 -6.050 1.00 0.00 C ATOM 470 O PRO A 33 8.234 -6.948 -5.874 1.00 0.00 O ATOM 471 CB PRO A 33 10.361 -6.472 -4.178 1.00 0.00 C ATOM 472 CG PRO A 33 10.531 -5.485 -3.061 1.00 0.00 C ATOM 473 CD PRO A 33 11.071 -4.251 -3.681 1.00 0.00 C ATOM 0 HA PRO A 33 10.857 -5.908 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.488 -7.102 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.224 -7.134 -4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.580 -5.288 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.212 -5.870 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.769 -3.361 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.161 -4.258 -3.703 1.00 0.00 H new ATOM 481 N GLY A 34 8.236 -4.872 -6.757 1.00 0.00 N ATOM 482 CA GLY A 34 6.921 -5.001 -7.372 1.00 0.00 C ATOM 483 C GLY A 34 6.076 -6.117 -6.792 1.00 0.00 C ATOM 484 O GLY A 34 5.645 -7.002 -7.529 1.00 0.00 O ATOM 0 H GLY A 34 8.684 -3.969 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.385 -4.058 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.046 -5.172 -8.441 1.00 0.00 H new ATOM 488 N ILE A 35 5.851 -6.061 -5.476 1.00 0.00 N ATOM 489 CA ILE A 35 5.053 -7.065 -4.753 1.00 0.00 C ATOM 490 C ILE A 35 4.584 -8.202 -5.658 1.00 0.00 C ATOM 491 O ILE A 35 5.068 -9.330 -5.556 1.00 0.00 O ATOM 492 CB ILE A 35 3.821 -6.429 -4.080 1.00 0.00 C ATOM 493 CG1 ILE A 35 4.225 -5.178 -3.301 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.141 -7.432 -3.158 1.00 0.00 C ATOM 495 CD1 ILE A 35 5.259 -5.443 -2.230 1.00 0.00 C ATOM 0 H ILE A 35 6.216 -5.319 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 35 5.717 -7.476 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 35 3.114 -6.139 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.616 -4.436 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.338 -4.745 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.273 -6.967 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.821 -8.299 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.842 -7.750 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.499 -4.511 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.863 -6.161 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.162 -5.848 -2.688 1.00 0.00 H new ATOM 507 N VAL A 36 3.644 -7.896 -6.549 1.00 0.00 N ATOM 508 CA VAL A 36 3.118 -8.891 -7.474 1.00 0.00 C ATOM 509 C VAL A 36 2.082 -8.278 -8.415 1.00 0.00 C ATOM 510 O VAL A 36 2.295 -8.214 -9.626 1.00 0.00 O ATOM 511 CB VAL A 36 2.491 -10.082 -6.721 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.683 -9.597 -5.528 1.00 0.00 C ATOM 513 CG2 VAL A 36 1.627 -10.920 -7.654 1.00 0.00 C ATOM 0 H VAL A 36 3.233 -6.968 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 36 3.960 -9.254 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 36 3.299 -10.714 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.249 -10.453 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.334 -9.052 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.885 -8.939 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.196 -11.754 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.826 -10.302 -8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.239 -11.304 -8.470 1.00 0.00 H new ATOM 523 N ALA A 37 0.963 -7.830 -7.855 1.00 0.00 N ATOM 524 CA ALA A 37 -0.099 -7.226 -8.653 1.00 0.00 C ATOM 525 C ALA A 37 -0.527 -8.158 -9.781 1.00 0.00 C ATOM 526 O ALA A 37 0.098 -8.191 -10.841 1.00 0.00 O ATOM 527 CB ALA A 37 0.358 -5.889 -9.218 1.00 0.00 C ATOM 0 H ALA A 37 0.768 -7.873 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.958 -7.057 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.445 -5.451 -9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.613 -5.216 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.234 -6.041 -9.849 1.00 0.00 H new ATOM 533 N GLU A 38 -1.594 -8.914 -9.547 1.00 0.00 N ATOM 534 CA GLU A 38 -2.102 -9.847 -10.547 1.00 0.00 C ATOM 535 C GLU A 38 -3.037 -9.144 -11.526 1.00 0.00 C ATOM 536 O GLU A 38 -2.770 -9.095 -12.726 1.00 0.00 O ATOM 537 CB GLU A 38 -2.833 -11.009 -9.869 1.00 0.00 C ATOM 538 CG GLU A 38 -1.956 -12.230 -9.640 1.00 0.00 C ATOM 539 CD GLU A 38 -2.276 -13.364 -10.594 1.00 0.00 C ATOM 540 OE1 GLU A 38 -3.474 -13.636 -10.814 1.00 0.00 O ATOM 541 OE2 GLU A 38 -1.326 -13.980 -11.123 1.00 0.00 O ATOM 0 H GLU A 38 -2.123 -8.899 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.251 -10.238 -11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.226 -10.670 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.688 -11.296 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.909 -11.948 -9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.082 -12.576 -8.614 1.00 0.00 H new ATOM 548 N CYS A 39 -4.135 -8.604 -11.006 1.00 0.00 N ATOM 549 CA CYS A 39 -5.113 -7.908 -11.835 1.00 0.00 C ATOM 550 C CYS A 39 -4.471 -6.750 -12.593 1.00 0.00 C ATOM 551 O CYS A 39 -4.953 -6.347 -13.652 1.00 0.00 O ATOM 552 CB CYS A 39 -6.264 -7.387 -10.974 1.00 0.00 C ATOM 553 SG CYS A 39 -5.837 -5.937 -9.955 1.00 0.00 S ATOM 0 H CYS A 39 -4.370 -8.635 -10.014 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.501 -8.621 -12.562 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.100 -7.127 -11.623 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.606 -8.189 -10.320 1.00 0.00 H new ATOM 558 N GLY A 40 -3.387 -6.215 -12.046 1.00 0.00 N ATOM 559 CA GLY A 40 -2.705 -5.107 -12.689 1.00 0.00 C ATOM 560 C GLY A 40 -3.496 -3.815 -12.612 1.00 0.00 C ATOM 561 O GLY A 40 -3.652 -3.115 -13.612 1.00 0.00 O ATOM 0 H GLY A 40 -2.968 -6.527 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.732 -4.962 -12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.521 -5.355 -13.734 1.00 0.00 H new ATOM 565 N GLY A 41 -3.992 -3.496 -11.421 1.00 0.00 N ATOM 566 CA GLY A 41 -4.761 -2.277 -11.241 1.00 0.00 C ATOM 567 C GLY A 41 -6.195 -2.412 -11.714 1.00 0.00 C ATOM 568 O GLY A 41 -6.962 -1.450 -11.672 1.00 0.00 O ATOM 0 H GLY A 41 -3.876 -4.058 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.755 -2.002 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.279 -1.465 -11.785 1.00 0.00 H new ATOM 572 N SER A 42 -6.561 -3.609 -12.163 1.00 0.00 N ATOM 573 CA SER A 42 -7.917 -3.860 -12.643 1.00 0.00 C ATOM 574 C SER A 42 -8.900 -3.962 -11.478 1.00 0.00 C ATOM 575 O SER A 42 -10.104 -4.107 -11.683 1.00 0.00 O ATOM 576 CB SER A 42 -7.959 -5.145 -13.473 1.00 0.00 C ATOM 577 OG SER A 42 -7.688 -4.880 -14.838 1.00 0.00 O ATOM 0 H SER A 42 -5.941 -4.418 -12.205 1.00 0.00 H new ATOM 0 HA SER A 42 -8.212 -3.019 -13.271 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.229 -5.856 -13.086 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.940 -5.611 -13.378 1.00 0.00 H new ATOM 0 HG SER A 42 -7.719 -5.717 -15.346 1.00 0.00 H new ATOM 583 N CYS A 43 -8.378 -3.886 -10.257 1.00 0.00 N ATOM 584 CA CYS A 43 -9.211 -3.969 -9.062 1.00 0.00 C ATOM 585 C CYS A 43 -10.089 -5.217 -9.092 1.00 0.00 C ATOM 586 O CYS A 43 -11.314 -5.122 -9.148 1.00 0.00 O ATOM 587 CB CYS A 43 -10.087 -2.722 -8.936 1.00 0.00 C ATOM 588 SG CYS A 43 -9.168 -1.166 -9.002 1.00 0.00 S ATOM 0 H CYS A 43 -7.382 -3.767 -10.069 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.551 -4.032 -8.197 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.827 -2.729 -9.736 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.634 -2.769 -7.995 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.318 -1.206 -9.984 1.00 0.00 H new ATOM 594 N VAL A 44 -9.455 -6.383 -9.054 1.00 0.00 N ATOM 595 CA VAL A 44 -10.183 -7.646 -9.076 1.00 0.00 C ATOM 596 C VAL A 44 -9.376 -8.764 -8.421 1.00 0.00 C ATOM 597 O VAL A 44 -9.644 -9.945 -8.641 1.00 0.00 O ATOM 598 CB VAL A 44 -10.543 -8.065 -10.515 1.00 0.00 C ATOM 599 CG1 VAL A 44 -11.957 -7.628 -10.867 1.00 0.00 C ATOM 600 CG2 VAL A 44 -9.539 -7.497 -11.506 1.00 0.00 C ATOM 0 H VAL A 44 -8.441 -6.480 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.101 -7.487 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.501 -9.153 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.189 -7.934 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.663 -8.093 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.033 -6.544 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.811 -7.804 -12.516 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.543 -6.409 -11.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.543 -7.870 -11.269 1.00 0.00 H new ATOM 610 N CYS A 45 -8.391 -8.386 -7.610 1.00 0.00 N ATOM 611 CA CYS A 45 -7.552 -9.362 -6.920 1.00 0.00 C ATOM 612 C CYS A 45 -7.156 -8.862 -5.533 1.00 0.00 C ATOM 613 O CYS A 45 -7.469 -7.731 -5.158 1.00 0.00 O ATOM 614 CB CYS A 45 -6.302 -9.690 -7.748 1.00 0.00 C ATOM 615 SG CYS A 45 -4.826 -8.693 -7.345 1.00 0.00 S ATOM 0 H CYS A 45 -8.155 -7.413 -7.415 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.135 -10.275 -6.799 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.059 -10.744 -7.610 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.537 -9.553 -8.803 1.00 0.00 H new ATOM 620 N ALA A 46 -6.470 -9.712 -4.773 1.00 0.00 N ATOM 621 CA ALA A 46 -6.037 -9.352 -3.428 1.00 0.00 C ATOM 622 C ALA A 46 -4.618 -9.842 -3.149 1.00 0.00 C ATOM 623 O ALA A 46 -4.184 -9.890 -1.998 1.00 0.00 O ATOM 624 CB ALA A 46 -7.001 -9.914 -2.395 1.00 0.00 C ATOM 0 H ALA A 46 -6.203 -10.652 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.035 -8.264 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.665 -9.637 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.998 -9.508 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.032 -11.000 -2.480 1.00 0.00 H new ATOM 630 N THR A 47 -3.898 -10.204 -4.207 1.00 0.00 N ATOM 631 CA THR A 47 -2.528 -10.687 -4.065 1.00 0.00 C ATOM 632 C THR A 47 -1.567 -9.532 -3.791 1.00 0.00 C ATOM 633 O THR A 47 -0.398 -9.745 -3.466 1.00 0.00 O ATOM 634 CB THR A 47 -2.097 -11.443 -5.322 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.930 -12.205 -5.073 1.00 0.00 O ATOM 636 CG2 THR A 47 -1.809 -10.537 -6.499 1.00 0.00 C ATOM 0 H THR A 47 -4.238 -10.172 -5.168 1.00 0.00 H new ATOM 0 HA THR A 47 -2.496 -11.368 -3.215 1.00 0.00 H new ATOM 0 HB THR A 47 -2.942 -12.083 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.372 -11.742 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.509 -11.139 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.706 -9.970 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.005 -9.848 -6.240 1.00 0.00 H new ATOM 644 N CYS A 48 -2.071 -8.309 -3.921 1.00 0.00 N ATOM 645 CA CYS A 48 -1.269 -7.112 -3.687 1.00 0.00 C ATOM 646 C CYS A 48 -1.329 -6.701 -2.221 1.00 0.00 C ATOM 647 O CYS A 48 -1.666 -5.561 -1.899 1.00 0.00 O ATOM 648 CB CYS A 48 -1.764 -5.967 -4.567 1.00 0.00 C ATOM 649 SG CYS A 48 -3.527 -5.571 -4.337 1.00 0.00 S ATOM 0 H CYS A 48 -3.037 -8.120 -4.189 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.234 -7.338 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.171 -5.077 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.593 -6.224 -5.612 1.00 0.00 H new ATOM 654 N ARG A 49 -1.021 -7.640 -1.336 1.00 0.00 N ATOM 655 CA ARG A 49 -1.057 -7.381 0.097 1.00 0.00 C ATOM 656 C ARG A 49 0.047 -6.423 0.533 1.00 0.00 C ATOM 657 O ARG A 49 1.119 -6.848 0.961 1.00 0.00 O ATOM 658 CB ARG A 49 -0.942 -8.690 0.879 1.00 0.00 C ATOM 659 CG ARG A 49 0.402 -9.390 0.712 1.00 0.00 C ATOM 660 CD ARG A 49 1.210 -9.396 2.005 1.00 0.00 C ATOM 661 NE ARG A 49 0.360 -9.443 3.193 1.00 0.00 N ATOM 662 CZ ARG A 49 -0.090 -10.569 3.734 1.00 0.00 C ATOM 663 NH1 ARG A 49 0.230 -11.740 3.198 1.00 0.00 N ATOM 664 NH2 ARG A 49 -0.862 -10.526 4.811 1.00 0.00 N ATOM 0 H ARG A 49 -0.743 -8.589 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.015 -6.909 0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.106 -8.486 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.735 -9.365 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.237 -10.416 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.975 -8.892 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.881 -10.255 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.835 -8.504 2.044 1.00 0.00 H new ATOM 0 HE ARG A 49 0.097 -8.560 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.823 -11.776 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.117 -12.604 3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.111 -9.627 5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.207 -11.391 5.226 1.00 0.00 H new ATOM 678 N ILE A 50 -0.234 -5.128 0.450 1.00 0.00 N ATOM 679 CA ILE A 50 0.722 -4.110 0.868 1.00 0.00 C ATOM 680 C ILE A 50 0.240 -3.465 2.159 1.00 0.00 C ATOM 681 O ILE A 50 -0.881 -3.718 2.598 1.00 0.00 O ATOM 682 CB ILE A 50 0.934 -3.027 -0.208 1.00 0.00 C ATOM 683 CG1 ILE A 50 0.251 -3.424 -1.520 1.00 0.00 C ATOM 684 CG2 ILE A 50 2.422 -2.800 -0.434 1.00 0.00 C ATOM 685 CD1 ILE A 50 -1.178 -2.942 -1.629 1.00 0.00 C ATOM 0 H ILE A 50 -1.117 -4.758 0.097 1.00 0.00 H new ATOM 0 HA ILE A 50 1.682 -4.602 1.025 1.00 0.00 H new ATOM 0 HB ILE A 50 0.484 -2.098 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.826 -3.023 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.268 -4.510 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.561 -2.033 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.886 -2.475 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.886 -3.729 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.597 -3.260 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.767 -3.364 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.201 -1.854 -1.567 1.00 0.00 H new ATOM 697 N GLU A 51 1.081 -2.653 2.789 1.00 0.00 N ATOM 698 CA GLU A 51 0.687 -2.029 4.046 1.00 0.00 C ATOM 699 C GLU A 51 1.270 -0.630 4.232 1.00 0.00 C ATOM 700 O GLU A 51 2.487 -0.450 4.276 1.00 0.00 O ATOM 701 CB GLU A 51 1.117 -2.915 5.217 1.00 0.00 C ATOM 702 CG GLU A 51 0.038 -3.877 5.685 1.00 0.00 C ATOM 703 CD GLU A 51 0.456 -4.669 6.909 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.393 -4.113 8.027 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.849 -5.845 6.751 1.00 0.00 O ATOM 0 H GLU A 51 2.017 -2.415 2.461 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.397 -1.923 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.998 -3.486 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.412 -2.280 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.870 -3.317 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.205 -4.566 4.876 1.00 0.00 H new ATOM 712 N ILE A 52 0.381 0.349 4.397 1.00 0.00 N ATOM 713 CA ILE A 52 0.784 1.726 4.646 1.00 0.00 C ATOM 714 C ILE A 52 1.394 1.798 6.036 1.00 0.00 C ATOM 715 O ILE A 52 0.972 1.054 6.920 1.00 0.00 O ATOM 716 CB ILE A 52 -0.439 2.668 4.594 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.105 2.603 3.222 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.045 4.098 4.937 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.459 3.508 2.207 1.00 0.00 C ATOM 0 H ILE A 52 -0.629 0.209 4.362 1.00 0.00 H new ATOM 0 HA ILE A 52 1.500 2.035 3.884 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.157 2.333 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.072 1.576 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.157 2.872 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.926 4.739 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.375 4.128 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.698 4.452 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.979 3.415 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.515 4.540 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.586 3.225 2.080 1.00 0.00 H new ATOM 731 N GLU A 53 2.370 2.671 6.269 1.00 0.00 N ATOM 732 CA GLU A 53 2.934 2.726 7.622 1.00 0.00 C ATOM 733 C GLU A 53 1.797 2.979 8.620 1.00 0.00 C ATOM 734 O GLU A 53 0.634 3.032 8.225 1.00 0.00 O ATOM 735 CB GLU A 53 4.010 3.795 7.740 1.00 0.00 C ATOM 736 CG GLU A 53 3.430 5.166 7.731 1.00 0.00 C ATOM 737 CD GLU A 53 2.322 5.287 6.704 1.00 0.00 C ATOM 738 OE1 GLU A 53 1.191 4.866 7.005 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.577 5.838 5.615 1.00 0.00 O ATOM 0 H GLU A 53 2.771 3.316 5.588 1.00 0.00 H new ATOM 0 HA GLU A 53 3.414 1.773 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.573 3.644 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.716 3.693 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.040 5.405 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.212 5.893 7.513 1.00 0.00 H new ATOM 746 N ASP A 54 2.106 3.106 9.907 1.00 0.00 N ATOM 747 CA ASP A 54 1.059 3.331 10.910 1.00 0.00 C ATOM 748 C ASP A 54 0.842 4.810 11.213 1.00 0.00 C ATOM 749 O ASP A 54 0.301 5.168 12.260 1.00 0.00 O ATOM 750 CB ASP A 54 1.377 2.569 12.195 1.00 0.00 C ATOM 751 CG ASP A 54 2.788 2.829 12.685 1.00 0.00 C ATOM 752 OD1 ASP A 54 3.736 2.631 11.895 1.00 0.00 O ATOM 753 OD2 ASP A 54 2.946 3.233 13.856 1.00 0.00 O ATOM 0 H ASP A 54 3.054 3.059 10.280 1.00 0.00 H new ATOM 0 HA ASP A 54 0.129 2.952 10.485 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.667 2.857 12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.246 1.501 12.023 1.00 0.00 H new ATOM 758 N ALA A 55 1.253 5.656 10.292 1.00 0.00 N ATOM 759 CA ALA A 55 1.101 7.093 10.440 1.00 0.00 C ATOM 760 C ALA A 55 0.146 7.631 9.402 1.00 0.00 C ATOM 761 O ALA A 55 -0.507 8.654 9.601 1.00 0.00 O ATOM 762 CB ALA A 55 2.450 7.784 10.290 1.00 0.00 C ATOM 0 H ALA A 55 1.701 5.371 9.421 1.00 0.00 H new ATOM 0 HA ALA A 55 0.701 7.294 11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.322 8.861 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.134 7.417 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.861 7.569 9.304 1.00 0.00 H new ATOM 768 N TRP A 56 0.136 6.965 8.260 1.00 0.00 N ATOM 769 CA TRP A 56 -0.659 7.401 7.133 1.00 0.00 C ATOM 770 C TRP A 56 -1.895 6.587 6.881 1.00 0.00 C ATOM 771 O TRP A 56 -2.623 6.860 5.936 1.00 0.00 O ATOM 772 CB TRP A 56 0.211 7.370 5.914 1.00 0.00 C ATOM 773 CG TRP A 56 1.409 8.200 6.127 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.400 7.968 7.032 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.726 9.418 5.478 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.338 8.939 6.967 1.00 0.00 N ATOM 777 CE2 TRP A 56 2.954 9.850 6.023 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.107 10.187 4.474 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.576 11.007 5.609 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.741 11.346 4.063 1.00 0.00 C ATOM 781 CH2 TRP A 56 2.963 11.744 4.630 1.00 0.00 C ATOM 0 H TRP A 56 0.674 6.115 8.092 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.015 8.404 7.368 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.504 6.344 5.693 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.346 7.735 5.051 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.432 7.126 7.707 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.189 8.984 7.528 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.167 9.882 4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.514 11.322 6.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.289 11.955 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.431 12.654 4.285 1.00 0.00 H new ATOM 792 N VAL A 57 -2.168 5.617 7.706 1.00 0.00 N ATOM 793 CA VAL A 57 -3.358 4.852 7.502 1.00 0.00 C ATOM 794 C VAL A 57 -4.548 5.742 7.725 1.00 0.00 C ATOM 795 O VAL A 57 -5.551 5.673 7.013 1.00 0.00 O ATOM 796 CB VAL A 57 -3.428 3.678 8.443 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.647 2.862 8.114 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.148 2.903 8.322 1.00 0.00 C ATOM 0 H VAL A 57 -1.597 5.344 8.506 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.351 4.465 6.483 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.527 3.992 9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.707 2.009 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.539 3.478 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.580 2.506 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.176 2.047 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.030 2.554 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.308 3.545 8.586 1.00 0.00 H new ATOM 808 N GLU A 58 -4.398 6.617 8.703 1.00 0.00 N ATOM 809 CA GLU A 58 -5.429 7.579 9.013 1.00 0.00 C ATOM 810 C GLU A 58 -5.328 8.734 8.025 1.00 0.00 C ATOM 811 O GLU A 58 -6.158 9.644 8.016 1.00 0.00 O ATOM 812 CB GLU A 58 -5.295 8.081 10.453 1.00 0.00 C ATOM 813 CG GLU A 58 -4.906 6.994 11.443 1.00 0.00 C ATOM 814 CD GLU A 58 -6.004 5.968 11.649 1.00 0.00 C ATOM 815 OE1 GLU A 58 -6.307 5.223 10.692 1.00 0.00 O ATOM 816 OE2 GLU A 58 -6.561 5.909 12.765 1.00 0.00 O ATOM 0 H GLU A 58 -3.569 6.678 9.295 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.407 7.106 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.548 8.874 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.242 8.523 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.006 6.491 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.659 7.452 12.401 1.00 0.00 H new ATOM 823 N ILE A 59 -4.303 8.664 7.173 1.00 0.00 N ATOM 824 CA ILE A 59 -4.080 9.673 6.143 1.00 0.00 C ATOM 825 C ILE A 59 -4.559 9.146 4.808 1.00 0.00 C ATOM 826 O ILE A 59 -5.132 9.868 3.994 1.00 0.00 O ATOM 827 CB ILE A 59 -2.585 10.028 5.994 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.160 10.999 7.077 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.294 10.630 4.623 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.742 10.795 7.530 1.00 0.00 C ATOM 0 H ILE A 59 -3.612 7.913 7.179 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.630 10.565 6.444 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.015 9.104 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.274 12.018 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.827 10.894 7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.233 10.870 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.559 9.912 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.881 11.539 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.500 11.521 8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.629 9.787 7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.067 10.929 6.685 1.00 0.00 H new ATOM 842 N VAL A 60 -4.279 7.873 4.596 1.00 0.00 N ATOM 843 CA VAL A 60 -4.630 7.206 3.368 1.00 0.00 C ATOM 844 C VAL A 60 -6.007 6.559 3.485 1.00 0.00 C ATOM 845 O VAL A 60 -6.987 7.086 2.960 1.00 0.00 O ATOM 846 CB VAL A 60 -3.559 6.156 3.012 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.800 5.594 1.619 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.154 6.765 3.128 1.00 0.00 C ATOM 0 H VAL A 60 -3.802 7.278 5.273 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.671 7.944 2.566 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.631 5.331 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.033 4.855 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.782 5.122 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.758 6.402 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.409 6.011 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.065 7.609 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.989 7.108 4.149 1.00 0.00 H new ATOM 858 N GLY A 61 -6.066 5.431 4.201 1.00 0.00 N ATOM 859 CA GLY A 61 -7.323 4.719 4.416 1.00 0.00 C ATOM 860 C GLY A 61 -8.405 5.090 3.419 1.00 0.00 C ATOM 861 O GLY A 61 -9.516 5.450 3.807 1.00 0.00 O ATOM 0 H GLY A 61 -5.256 4.994 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.139 3.646 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.682 4.927 5.424 1.00 0.00 H new ATOM 865 N GLU A 62 -8.078 5.014 2.136 1.00 0.00 N ATOM 866 CA GLU A 62 -9.027 5.358 1.082 1.00 0.00 C ATOM 867 C GLU A 62 -10.011 4.227 0.828 1.00 0.00 C ATOM 868 O GLU A 62 -11.068 4.431 0.231 1.00 0.00 O ATOM 869 CB GLU A 62 -8.276 5.678 -0.204 1.00 0.00 C ATOM 870 CG GLU A 62 -7.787 7.113 -0.285 1.00 0.00 C ATOM 871 CD GLU A 62 -8.559 7.933 -1.299 1.00 0.00 C ATOM 872 OE1 GLU A 62 -9.764 8.174 -1.074 1.00 0.00 O ATOM 873 OE2 GLU A 62 -7.960 8.333 -2.320 1.00 0.00 O ATOM 0 H GLU A 62 -7.162 4.717 1.798 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.590 6.232 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.422 5.007 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.928 5.477 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.874 7.579 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.729 7.119 -0.548 1.00 0.00 H new ATOM 880 N ALA A 63 -9.648 3.037 1.268 1.00 0.00 N ATOM 881 CA ALA A 63 -10.495 1.865 1.072 1.00 0.00 C ATOM 882 C ALA A 63 -11.845 2.021 1.741 1.00 0.00 C ATOM 883 O ALA A 63 -11.970 2.637 2.799 1.00 0.00 O ATOM 884 CB ALA A 63 -9.839 0.601 1.601 1.00 0.00 C ATOM 0 H ALA A 63 -8.776 2.852 1.763 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.636 1.779 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.501 -0.249 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.897 0.434 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.647 0.710 2.668 1.00 0.00 H new ATOM 890 N ASN A 64 -12.842 1.408 1.131 1.00 0.00 N ATOM 891 CA ASN A 64 -14.175 1.404 1.645 1.00 0.00 C ATOM 892 C ASN A 64 -14.323 0.184 2.543 1.00 0.00 C ATOM 893 O ASN A 64 -13.394 -0.609 2.690 1.00 0.00 O ATOM 894 CB ASN A 64 -15.158 1.353 0.468 1.00 0.00 C ATOM 895 CG ASN A 64 -14.983 0.106 -0.378 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.414 -0.889 0.071 1.00 0.00 O ATOM 897 ND2 ASN A 64 -15.471 0.157 -1.612 1.00 0.00 N ATOM 0 H ASN A 64 -12.735 0.896 0.255 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.386 2.303 2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.179 1.390 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.019 2.235 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.382 -0.650 -2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.935 1.003 -1.942 1.00 0.00 H new ATOM 904 N PRO A 65 -15.490 0.013 3.140 1.00 0.00 N ATOM 905 CA PRO A 65 -15.785 -1.115 4.019 1.00 0.00 C ATOM 906 C PRO A 65 -15.973 -2.417 3.238 1.00 0.00 C ATOM 907 O PRO A 65 -16.454 -3.411 3.779 1.00 0.00 O ATOM 908 CB PRO A 65 -17.100 -0.708 4.704 1.00 0.00 C ATOM 909 CG PRO A 65 -17.364 0.707 4.282 1.00 0.00 C ATOM 910 CD PRO A 65 -16.618 0.910 2.996 1.00 0.00 C ATOM 0 HA PRO A 65 -14.972 -1.310 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.917 -1.364 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.015 -0.783 5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.431 0.878 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.025 1.409 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.229 0.658 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.300 1.945 2.871 1.00 0.00 H new ATOM 918 N ASP A 66 -15.591 -2.404 1.959 1.00 0.00 N ATOM 919 CA ASP A 66 -15.720 -3.579 1.110 1.00 0.00 C ATOM 920 C ASP A 66 -14.445 -4.413 1.133 1.00 0.00 C ATOM 921 O ASP A 66 -14.451 -5.573 1.543 1.00 0.00 O ATOM 922 CB ASP A 66 -16.048 -3.160 -0.322 1.00 0.00 C ATOM 923 CG ASP A 66 -17.120 -2.090 -0.377 1.00 0.00 C ATOM 924 OD1 ASP A 66 -17.076 -1.161 0.459 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.004 -2.179 -1.254 1.00 0.00 O ATOM 0 H ASP A 66 -15.190 -1.590 1.493 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.534 -4.191 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.144 -2.791 -0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.379 -4.032 -0.887 1.00 0.00 H new ATOM 930 N GLU A 67 -13.350 -3.810 0.680 1.00 0.00 N ATOM 931 CA GLU A 67 -12.062 -4.491 0.639 1.00 0.00 C ATOM 932 C GLU A 67 -11.712 -5.090 1.997 1.00 0.00 C ATOM 933 O GLU A 67 -11.077 -6.142 2.078 1.00 0.00 O ATOM 934 CB GLU A 67 -10.965 -3.523 0.198 1.00 0.00 C ATOM 935 CG GLU A 67 -10.650 -2.455 1.229 1.00 0.00 C ATOM 936 CD GLU A 67 -9.537 -2.867 2.173 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.098 -4.034 2.100 1.00 0.00 O ATOM 938 OE2 GLU A 67 -9.105 -2.022 2.986 1.00 0.00 O ATOM 0 H GLU A 67 -13.330 -2.850 0.336 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.135 -5.303 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.058 -4.088 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.269 -3.041 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.367 -1.535 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.548 -2.236 1.806 1.00 0.00 H new ATOM 945 N ASN A 68 -12.129 -4.415 3.064 1.00 0.00 N ATOM 946 CA ASN A 68 -11.856 -4.885 4.418 1.00 0.00 C ATOM 947 C ASN A 68 -12.747 -6.070 4.774 1.00 0.00 C ATOM 948 O ASN A 68 -12.345 -6.958 5.525 1.00 0.00 O ATOM 949 CB ASN A 68 -12.066 -3.754 5.426 1.00 0.00 C ATOM 950 CG ASN A 68 -11.568 -4.117 6.811 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.385 -4.393 7.006 1.00 0.00 O ATOM 952 ND2 ASN A 68 -12.475 -4.121 7.782 1.00 0.00 N ATOM 0 H ASN A 68 -12.656 -3.543 3.018 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.816 -5.210 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.548 -2.860 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.127 -3.508 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.201 -4.360 8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.445 -3.885 7.574 1.00 0.00 H new ATOM 959 N ASP A 69 -13.960 -6.075 4.231 1.00 0.00 N ATOM 960 CA ASP A 69 -14.909 -7.150 4.494 1.00 0.00 C ATOM 961 C ASP A 69 -14.626 -8.357 3.605 1.00 0.00 C ATOM 962 O ASP A 69 -14.584 -9.493 4.077 1.00 0.00 O ATOM 963 CB ASP A 69 -16.340 -6.661 4.267 1.00 0.00 C ATOM 964 CG ASP A 69 -17.353 -7.787 4.326 1.00 0.00 C ATOM 965 OD1 ASP A 69 -16.945 -8.938 4.590 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.552 -7.520 4.106 1.00 0.00 O ATOM 0 H ASP A 69 -14.308 -5.347 3.607 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.796 -7.454 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.589 -5.913 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.403 -6.170 3.296 1.00 0.00 H new ATOM 971 N LEU A 70 -14.437 -8.102 2.314 1.00 0.00 N ATOM 972 CA LEU A 70 -14.164 -9.167 1.356 1.00 0.00 C ATOM 973 C LEU A 70 -13.011 -10.047 1.826 1.00 0.00 C ATOM 974 O LEU A 70 -13.141 -11.270 1.897 1.00 0.00 O ATOM 975 CB LEU A 70 -13.838 -8.576 -0.017 1.00 0.00 C ATOM 976 CG LEU A 70 -13.479 -9.603 -1.094 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.688 -9.018 -2.481 1.00 0.00 C ATOM 978 CD2 LEU A 70 -12.043 -10.074 -0.922 1.00 0.00 C ATOM 0 H LEU A 70 -14.468 -7.167 1.908 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.059 -9.784 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.696 -7.997 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.006 -7.880 0.092 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.139 -10.464 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.428 -9.763 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.733 -8.731 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.054 -8.140 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.804 -10.804 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.368 -9.222 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.926 -10.534 0.059 1.00 0.00 H new ATOM 990 N LEU A 71 -11.882 -9.421 2.143 1.00 0.00 N ATOM 991 CA LEU A 71 -10.707 -10.151 2.601 1.00 0.00 C ATOM 992 C LEU A 71 -10.990 -10.865 3.918 1.00 0.00 C ATOM 993 O LEU A 71 -10.683 -12.047 4.073 1.00 0.00 O ATOM 994 CB LEU A 71 -9.521 -9.199 2.768 1.00 0.00 C ATOM 995 CG LEU A 71 -8.489 -9.252 1.641 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.161 -10.695 1.287 1.00 0.00 C ATOM 997 CD2 LEU A 71 -8.998 -8.504 0.418 1.00 0.00 C ATOM 0 H LEU A 71 -11.757 -8.410 2.091 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.459 -10.899 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.900 -8.180 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.021 -9.426 3.710 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.576 -8.767 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.425 -10.714 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.755 -11.201 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.068 -11.205 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.251 -8.552 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.925 -8.961 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.183 -7.462 0.680 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.578 -10.142 4.863 1.00 0.00 N ATOM 1010 CA GLN A 72 -11.905 -10.710 6.165 1.00 0.00 C ATOM 1011 C GLN A 72 -12.741 -11.977 6.009 1.00 0.00 C ATOM 1012 O GLN A 72 -12.629 -12.909 6.806 1.00 0.00 O ATOM 1013 CB GLN A 72 -12.659 -9.686 7.016 1.00 0.00 C ATOM 1014 CG GLN A 72 -11.757 -8.866 7.924 1.00 0.00 C ATOM 1015 CD GLN A 72 -11.619 -9.472 9.306 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -12.512 -9.345 10.145 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -10.495 -10.136 9.552 1.00 0.00 N ATOM 0 H GLN A 72 -11.838 -9.162 4.752 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.973 -10.971 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.207 -9.012 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.398 -10.206 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.770 -8.780 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.157 -7.856 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.781 -10.217 8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.346 -10.565 10.465 1.00 0.00 H new ATOM 1026 N SER A 73 -13.578 -12.003 4.977 1.00 0.00 N ATOM 1027 CA SER A 73 -14.435 -13.155 4.713 1.00 0.00 C ATOM 1028 C SER A 73 -13.614 -14.358 4.260 1.00 0.00 C ATOM 1029 O SER A 73 -14.140 -15.465 4.129 1.00 0.00 O ATOM 1030 CB SER A 73 -15.480 -12.806 3.651 1.00 0.00 C ATOM 1031 OG SER A 73 -16.750 -13.331 3.993 1.00 0.00 O ATOM 0 H SER A 73 -13.682 -11.239 4.309 1.00 0.00 H new ATOM 0 HA SER A 73 -14.942 -13.417 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.547 -11.723 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.167 -13.202 2.685 1.00 0.00 H new ATOM 0 HG SER A 73 -17.400 -13.093 3.299 1.00 0.00 H new ATOM 1037 N THR A 74 -12.325 -14.138 4.023 1.00 0.00 N ATOM 1038 CA THR A 74 -11.437 -15.210 3.585 1.00 0.00 C ATOM 1039 C THR A 74 -10.855 -15.952 4.783 1.00 0.00 C ATOM 1040 O THR A 74 -10.813 -17.182 4.803 1.00 0.00 O ATOM 1041 CB THR A 74 -10.305 -14.644 2.726 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.310 -14.048 3.539 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.769 -13.603 1.733 1.00 0.00 C ATOM 0 H THR A 74 -11.872 -13.230 4.126 1.00 0.00 H new ATOM 0 HA THR A 74 -12.020 -15.912 2.989 1.00 0.00 H new ATOM 0 HB THR A 74 -9.908 -15.496 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.523 -13.101 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.916 -13.244 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.502 -14.045 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.224 -12.768 2.267 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.407 -15.197 5.779 1.00 0.00 N ATOM 1052 CA GLY A 75 -9.834 -15.798 6.967 1.00 0.00 C ATOM 1053 C GLY A 75 -8.455 -15.254 7.285 1.00 0.00 C ATOM 1054 O GLY A 75 -7.803 -15.708 8.225 1.00 0.00 O ATOM 0 H GLY A 75 -10.431 -14.177 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.495 -15.621 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.773 -16.878 6.831 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.008 -14.279 6.500 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.697 -13.674 6.704 1.00 0.00 C ATOM 1060 C GLU A 76 -6.816 -12.353 7.457 1.00 0.00 C ATOM 1061 O GLU A 76 -7.240 -11.344 6.895 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.004 -13.445 5.360 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.729 -14.725 4.588 1.00 0.00 C ATOM 1064 CD GLU A 76 -6.130 -14.621 3.129 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -6.952 -13.739 2.802 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -5.624 -15.420 2.314 1.00 0.00 O ATOM 0 H GLU A 76 -8.534 -13.891 5.717 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.099 -14.360 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.624 -12.789 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.062 -12.925 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.668 -14.964 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.271 -15.549 5.052 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.435 -12.345 8.743 1.00 0.00 N ATOM 1074 CA PRO A 77 -6.493 -11.144 9.578 1.00 0.00 C ATOM 1075 C PRO A 77 -5.911 -9.925 8.872 1.00 0.00 C ATOM 1076 O PRO A 77 -5.167 -10.057 7.901 1.00 0.00 O ATOM 1077 CB PRO A 77 -5.644 -11.520 10.792 1.00 0.00 C ATOM 1078 CG PRO A 77 -5.765 -13.002 10.892 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.912 -13.510 9.481 1.00 0.00 C ATOM 0 HA PRO A 77 -7.516 -10.865 9.829 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.606 -11.215 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.007 -11.031 11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.885 -13.433 11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.627 -13.282 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.958 -13.846 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.596 -14.357 9.429 1.00 0.00 H new ATOM 1087 N MET A 78 -6.258 -8.740 9.361 1.00 0.00 N ATOM 1088 CA MET A 78 -5.769 -7.502 8.770 1.00 0.00 C ATOM 1089 C MET A 78 -5.012 -6.666 9.795 1.00 0.00 C ATOM 1090 O MET A 78 -4.956 -7.010 10.975 1.00 0.00 O ATOM 1091 CB MET A 78 -6.934 -6.691 8.198 1.00 0.00 C ATOM 1092 CG MET A 78 -8.192 -7.512 7.965 1.00 0.00 C ATOM 1093 SD MET A 78 -9.289 -7.528 9.396 1.00 0.00 S ATOM 1094 CE MET A 78 -9.647 -5.782 9.566 1.00 0.00 C ATOM 0 H MET A 78 -6.875 -8.611 10.163 1.00 0.00 H new ATOM 0 HA MET A 78 -5.083 -7.763 7.964 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.166 -5.873 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.624 -6.241 7.255 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.729 -7.110 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.912 -8.535 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.365 -5.448 10.565 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.081 -5.221 8.823 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.713 -5.613 9.414 1.00 0.00 H new ATOM 1104 N THR A 79 -4.435 -5.562 9.333 1.00 0.00 N ATOM 1105 CA THR A 79 -3.685 -4.666 10.203 1.00 0.00 C ATOM 1106 C THR A 79 -3.902 -3.215 9.787 1.00 0.00 C ATOM 1107 O THR A 79 -3.799 -2.876 8.609 1.00 0.00 O ATOM 1108 CB THR A 79 -2.195 -5.008 10.160 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.840 -5.552 8.902 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.776 -6.001 11.223 1.00 0.00 C ATOM 0 H THR A 79 -4.473 -5.266 8.358 1.00 0.00 H new ATOM 0 HA THR A 79 -4.045 -4.794 11.224 1.00 0.00 H new ATOM 0 HB THR A 79 -1.679 -4.065 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.314 -5.071 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.708 -6.199 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.989 -5.589 12.210 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.329 -6.931 11.091 1.00 0.00 H new ATOM 1118 N ALA A 80 -4.209 -2.364 10.758 1.00 0.00 N ATOM 1119 CA ALA A 80 -4.445 -0.952 10.485 1.00 0.00 C ATOM 1120 C ALA A 80 -3.536 -0.443 9.372 1.00 0.00 C ATOM 1121 O ALA A 80 -2.351 -0.189 9.590 1.00 0.00 O ATOM 1122 CB ALA A 80 -4.245 -0.128 11.748 1.00 0.00 C ATOM 0 H ALA A 80 -4.300 -2.626 11.740 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.477 -0.844 10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.425 0.924 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.943 -0.463 12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.224 -0.254 12.107 1.00 0.00 H new ATOM 1128 N GLY A 81 -4.099 -0.291 8.177 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.323 0.193 7.052 1.00 0.00 C ATOM 1130 C GLY A 81 -3.286 -0.787 5.893 1.00 0.00 C ATOM 1131 O GLY A 81 -3.098 -0.388 4.745 1.00 0.00 O ATOM 0 H GLY A 81 -5.077 -0.494 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.742 1.139 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.304 0.397 7.381 1.00 0.00 H new ATOM 1135 N THR A 82 -3.467 -2.071 6.189 1.00 0.00 N ATOM 1136 CA THR A 82 -3.454 -3.099 5.155 1.00 0.00 C ATOM 1137 C THR A 82 -4.637 -2.927 4.204 1.00 0.00 C ATOM 1138 O THR A 82 -5.794 -3.004 4.617 1.00 0.00 O ATOM 1139 CB THR A 82 -3.493 -4.488 5.792 1.00 0.00 C ATOM 1140 OG1 THR A 82 -2.989 -4.446 7.114 1.00 0.00 O ATOM 1141 CG2 THR A 82 -2.687 -5.519 5.033 1.00 0.00 C ATOM 0 H THR A 82 -3.624 -2.423 7.133 1.00 0.00 H new ATOM 0 HA THR A 82 -2.533 -2.995 4.582 1.00 0.00 H new ATOM 0 HB THR A 82 -4.542 -4.783 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.558 -3.867 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.758 -6.481 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.078 -5.612 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.643 -5.207 4.992 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.340 -2.685 2.930 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.380 -2.496 1.925 1.00 0.00 C ATOM 1151 C ARG A 83 -4.803 -2.602 0.516 1.00 0.00 C ATOM 1152 O ARG A 83 -3.590 -2.709 0.338 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.046 -1.132 2.114 1.00 0.00 C ATOM 1154 CG ARG A 83 -5.055 -0.007 2.367 1.00 0.00 C ATOM 1155 CD ARG A 83 -5.704 1.359 2.223 1.00 0.00 C ATOM 1156 NE ARG A 83 -6.805 1.348 1.266 1.00 0.00 N ATOM 1157 CZ ARG A 83 -6.648 1.156 -0.038 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -5.443 0.933 -0.535 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -7.700 1.182 -0.847 1.00 0.00 N ATOM 0 H ARG A 83 -3.388 -2.615 2.570 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.124 -3.282 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.633 -0.896 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.742 -1.188 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.639 -0.108 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.224 -0.090 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.073 1.688 3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.955 2.084 1.904 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.750 1.496 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.633 0.908 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.324 0.786 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.632 1.350 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.577 1.034 -1.849 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.679 -2.569 -0.484 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.252 -2.657 -1.877 1.00 0.00 C ATOM 1175 C LEU A 84 -4.744 -1.304 -2.368 1.00 0.00 C ATOM 1176 O LEU A 84 -5.443 -0.590 -3.082 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.409 -3.133 -2.756 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.309 -4.194 -2.119 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.698 -4.155 -2.737 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.692 -5.576 -2.273 1.00 0.00 C ATOM 0 H LEU A 84 -6.687 -2.482 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.438 -3.379 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.021 -2.272 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.000 -3.534 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.402 -3.976 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.325 -4.916 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.141 -3.172 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.626 -4.349 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.345 -6.319 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.570 -5.804 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.719 -5.597 -1.783 1.00 0.00 H new ATOM 1192 N SER A 85 -3.530 -0.952 -1.964 1.00 0.00 N ATOM 1193 CA SER A 85 -2.931 0.324 -2.347 1.00 0.00 C ATOM 1194 C SER A 85 -2.804 0.466 -3.862 1.00 0.00 C ATOM 1195 O SER A 85 -2.755 1.580 -4.382 1.00 0.00 O ATOM 1196 CB SER A 85 -1.554 0.478 -1.698 1.00 0.00 C ATOM 1197 OG SER A 85 -1.533 -0.091 -0.401 1.00 0.00 O ATOM 0 H SER A 85 -2.938 -1.533 -1.370 1.00 0.00 H new ATOM 0 HA SER A 85 -3.595 1.112 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.800 -0.002 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.293 1.535 -1.639 1.00 0.00 H new ATOM 0 HG SER A 85 -1.309 0.601 0.256 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.737 -0.657 -4.572 1.00 0.00 N ATOM 1204 CA CYS A 86 -2.602 -0.616 -6.024 1.00 0.00 C ATOM 1205 C CYS A 86 -3.677 0.265 -6.654 1.00 0.00 C ATOM 1206 O CYS A 86 -3.503 0.766 -7.764 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.664 -2.016 -6.632 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.348 -2.680 -6.819 1.00 0.00 S ATOM 0 H CYS A 86 -2.773 -1.595 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.623 -0.187 -6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.184 -1.996 -7.610 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.086 -2.696 -6.007 1.00 0.00 H new ATOM 1213 N GLN A 87 -4.788 0.452 -5.946 1.00 0.00 N ATOM 1214 CA GLN A 87 -5.876 1.277 -6.460 1.00 0.00 C ATOM 1215 C GLN A 87 -5.948 2.615 -5.732 1.00 0.00 C ATOM 1216 O GLN A 87 -6.774 3.465 -6.069 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.217 0.547 -6.346 1.00 0.00 C ATOM 1218 CG GLN A 87 -7.169 -0.701 -5.484 1.00 0.00 C ATOM 1219 CD GLN A 87 -8.472 -1.474 -5.513 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -8.500 -2.653 -5.865 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -9.559 -0.810 -5.140 1.00 0.00 N ATOM 0 H GLN A 87 -4.957 0.048 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.669 1.469 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.958 1.232 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.556 0.273 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.360 -1.345 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.939 -0.421 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.487 0.167 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.466 -1.277 -5.137 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.075 2.815 -4.747 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.051 4.063 -4.006 1.00 0.00 C ATOM 1232 C VAL A 88 -4.035 5.001 -4.626 1.00 0.00 C ATOM 1233 O VAL A 88 -2.846 4.716 -4.612 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.699 3.828 -2.527 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.198 5.110 -1.883 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.898 3.271 -1.779 1.00 0.00 C ATOM 0 H VAL A 88 -4.381 2.130 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.046 4.506 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.896 3.093 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.955 4.921 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.306 5.456 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.973 5.874 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.632 3.110 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.725 3.979 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.198 2.324 -2.227 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.504 6.098 -5.201 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.613 7.036 -5.866 1.00 0.00 C ATOM 1248 C PHE A 89 -3.366 8.310 -5.073 1.00 0.00 C ATOM 1249 O PHE A 89 -4.279 8.913 -4.512 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.179 7.367 -7.238 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.428 6.137 -8.056 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -3.881 4.929 -7.655 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -5.214 6.176 -9.198 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.108 3.773 -8.378 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -5.445 5.023 -9.934 1.00 0.00 C ATOM 1256 CZ PHE A 89 -4.892 3.818 -9.522 1.00 0.00 C ATOM 0 H PHE A 89 -5.490 6.359 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.641 6.551 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.111 7.919 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.486 8.020 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.269 4.890 -6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.650 7.111 -9.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.676 2.838 -8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.054 5.063 -10.825 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.072 2.918 -10.091 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.100 8.702 -5.062 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.633 9.891 -4.385 1.00 0.00 C ATOM 1268 C ILE A 90 -2.543 11.096 -4.625 1.00 0.00 C ATOM 1269 O ILE A 90 -3.323 11.129 -5.578 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.206 10.188 -4.876 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.738 9.112 -4.355 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.284 11.553 -4.449 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.481 9.530 -3.103 1.00 0.00 C ATOM 0 H ILE A 90 -1.357 8.187 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.644 9.710 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.225 10.184 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.168 8.207 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.460 8.863 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.296 11.710 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.376 12.320 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.285 11.615 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.137 8.721 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.077 10.418 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.765 9.752 -2.312 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.425 12.079 -3.741 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.194 13.300 -3.788 1.00 0.00 C ATOM 1287 C ASP A 91 -2.671 14.173 -2.657 1.00 0.00 C ATOM 1288 O ASP A 91 -1.946 13.673 -1.803 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.691 12.980 -3.617 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.209 13.245 -2.212 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.513 14.416 -1.904 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.310 12.281 -1.425 1.00 0.00 O ATOM 0 H ASP A 91 -1.775 12.041 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.091 13.816 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.266 13.576 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.862 11.933 -3.868 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.006 15.464 -2.608 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.538 16.363 -1.541 1.00 0.00 C ATOM 1299 C PRO A 92 -3.083 15.953 -0.169 1.00 0.00 C ATOM 1300 O PRO A 92 -3.502 16.787 0.632 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.077 17.735 -1.969 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.401 17.578 -3.419 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.845 16.154 -3.576 1.00 0.00 C ATOM 0 HA PRO A 92 -1.454 16.347 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.960 18.011 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.336 18.519 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.186 18.270 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.531 17.789 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.906 16.031 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.685 15.787 -4.590 1.00 0.00 H new ATOM 1311 N SER A 93 -3.065 14.647 0.067 1.00 0.00 N ATOM 1312 CA SER A 93 -3.539 14.042 1.302 1.00 0.00 C ATOM 1313 C SER A 93 -2.556 12.959 1.764 1.00 0.00 C ATOM 1314 O SER A 93 -2.398 12.705 2.958 1.00 0.00 O ATOM 1315 CB SER A 93 -4.904 13.407 1.054 1.00 0.00 C ATOM 1316 OG SER A 93 -4.791 12.001 0.920 1.00 0.00 O ATOM 0 H SER A 93 -2.714 13.968 -0.608 1.00 0.00 H new ATOM 0 HA SER A 93 -3.617 14.809 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.575 13.645 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.347 13.828 0.151 1.00 0.00 H new ATOM 0 HG SER A 93 -4.802 11.761 -0.030 1.00 0.00 H new ATOM 1322 N MET A 94 -1.913 12.321 0.785 1.00 0.00 N ATOM 1323 CA MET A 94 -0.956 11.260 1.011 1.00 0.00 C ATOM 1324 C MET A 94 0.396 11.660 0.441 1.00 0.00 C ATOM 1325 O MET A 94 1.043 10.881 -0.260 1.00 0.00 O ATOM 1326 CB MET A 94 -1.458 9.998 0.315 1.00 0.00 C ATOM 1327 CG MET A 94 -2.698 9.409 0.962 1.00 0.00 C ATOM 1328 SD MET A 94 -3.888 8.794 -0.242 1.00 0.00 S ATOM 1329 CE MET A 94 -2.879 7.622 -1.142 1.00 0.00 C ATOM 0 H MET A 94 -2.052 12.538 -0.202 1.00 0.00 H new ATOM 0 HA MET A 94 -0.846 11.076 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.675 10.229 -0.728 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.665 9.250 0.318 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.405 8.595 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.175 10.169 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.400 7.314 -2.049 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.931 8.088 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.691 6.749 -0.517 1.00 0.00 H new ATOM 1339 N ASP A 95 0.809 12.885 0.735 1.00 0.00 N ATOM 1340 CA ASP A 95 2.056 13.405 0.256 1.00 0.00 C ATOM 1341 C ASP A 95 3.142 13.092 1.257 1.00 0.00 C ATOM 1342 O ASP A 95 2.996 13.384 2.440 1.00 0.00 O ATOM 1343 CB ASP A 95 1.947 14.919 0.022 1.00 0.00 C ATOM 1344 CG ASP A 95 0.513 15.404 -0.039 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.356 14.627 -0.474 1.00 0.00 O ATOM 1346 OD2 ASP A 95 0.260 16.563 0.352 1.00 0.00 O ATOM 0 H ASP A 95 0.279 13.537 1.314 1.00 0.00 H new ATOM 0 HA ASP A 95 2.306 12.937 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.469 15.444 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.452 15.175 -0.910 1.00 0.00 H new ATOM 1351 N GLY A 96 4.203 12.450 0.803 1.00 0.00 N ATOM 1352 CA GLY A 96 5.240 12.063 1.724 1.00 0.00 C ATOM 1353 C GLY A 96 4.768 10.855 2.485 1.00 0.00 C ATOM 1354 O GLY A 96 5.136 10.650 3.638 1.00 0.00 O ATOM 0 H GLY A 96 4.362 12.194 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.161 11.837 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.464 12.880 2.410 1.00 0.00 H new ATOM 1358 N LEU A 97 3.904 10.078 1.825 1.00 0.00 N ATOM 1359 CA LEU A 97 3.304 8.894 2.419 1.00 0.00 C ATOM 1360 C LEU A 97 4.305 7.771 2.582 1.00 0.00 C ATOM 1361 O LEU A 97 5.248 7.635 1.810 1.00 0.00 O ATOM 1362 CB LEU A 97 2.104 8.431 1.589 1.00 0.00 C ATOM 1363 CG LEU A 97 2.377 7.302 0.591 1.00 0.00 C ATOM 1364 CD1 LEU A 97 1.668 6.029 1.022 1.00 0.00 C ATOM 1365 CD2 LEU A 97 1.931 7.713 -0.804 1.00 0.00 C ATOM 0 H LEU A 97 3.605 10.257 0.866 1.00 0.00 H new ATOM 0 HA LEU A 97 2.960 9.167 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.319 8.105 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.714 9.288 1.040 1.00 0.00 H new ATOM 0 HG LEU A 97 3.449 7.108 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.873 5.237 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.028 5.727 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.594 6.209 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.131 6.901 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.863 7.930 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.479 8.603 -1.114 1.00 0.00 H new ATOM 1377 N ILE A 98 4.089 6.976 3.610 1.00 0.00 N ATOM 1378 CA ILE A 98 4.975 5.867 3.901 1.00 0.00 C ATOM 1379 C ILE A 98 4.299 4.536 3.652 1.00 0.00 C ATOM 1380 O ILE A 98 3.151 4.324 4.036 1.00 0.00 O ATOM 1381 CB ILE A 98 5.488 5.905 5.341 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.228 7.206 5.602 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.375 4.713 5.642 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.343 8.397 5.391 1.00 0.00 C ATOM 0 H ILE A 98 3.308 7.077 4.258 1.00 0.00 H new ATOM 0 HA ILE A 98 5.823 5.972 3.224 1.00 0.00 H new ATOM 0 HB ILE A 98 4.628 5.852 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.607 7.211 6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.092 7.273 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.723 4.770 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.808 3.793 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.232 4.718 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.907 9.309 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.985 8.406 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.493 8.343 6.071 1.00 0.00 H new ATOM 1396 N VAL A 99 5.006 3.635 3.005 1.00 0.00 N ATOM 1397 CA VAL A 99 4.453 2.341 2.720 1.00 0.00 C ATOM 1398 C VAL A 99 5.347 1.207 3.190 1.00 0.00 C ATOM 1399 O VAL A 99 6.556 1.356 3.239 1.00 0.00 O ATOM 1400 CB VAL A 99 4.153 2.164 1.247 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.830 1.468 1.132 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.140 3.499 0.515 1.00 0.00 C ATOM 0 H VAL A 99 5.959 3.779 2.671 1.00 0.00 H new ATOM 0 HA VAL A 99 3.519 2.296 3.280 1.00 0.00 H new ATOM 0 HB VAL A 99 4.935 1.566 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.584 1.325 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.885 0.498 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.058 2.074 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.921 3.333 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.375 4.144 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.115 3.977 0.613 1.00 0.00 H new ATOM 1412 N ARG A 100 4.748 0.072 3.539 1.00 0.00 N ATOM 1413 CA ARG A 100 5.523 -1.071 4.009 1.00 0.00 C ATOM 1414 C ARG A 100 4.931 -2.396 3.538 1.00 0.00 C ATOM 1415 O ARG A 100 3.779 -2.461 3.108 1.00 0.00 O ATOM 1416 CB ARG A 100 5.613 -1.056 5.537 1.00 0.00 C ATOM 1417 CG ARG A 100 5.723 0.338 6.130 1.00 0.00 C ATOM 1418 CD ARG A 100 6.440 0.318 7.469 1.00 0.00 C ATOM 1419 NE ARG A 100 6.678 1.663 7.984 1.00 0.00 N ATOM 1420 CZ ARG A 100 7.448 1.922 9.035 1.00 0.00 C ATOM 1421 NH1 ARG A 100 8.059 0.934 9.674 1.00 0.00 N ATOM 1422 NH2 ARG A 100 7.610 3.172 9.447 1.00 0.00 N ATOM 0 H ARG A 100 3.740 -0.080 3.506 1.00 0.00 H new ATOM 0 HA ARG A 100 6.522 -0.984 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.731 -1.547 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.478 -1.642 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.260 0.988 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.726 0.761 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.847 -0.246 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.392 -0.203 7.363 1.00 0.00 H new ATOM 0 HE ARG A 100 6.228 2.447 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.939 -0.029 9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.650 1.137 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.143 3.935 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.201 3.370 10.254 1.00 0.00 H new ATOM 1436 N VAL A 101 5.740 -3.451 3.629 1.00 0.00 N ATOM 1437 CA VAL A 101 5.323 -4.788 3.222 1.00 0.00 C ATOM 1438 C VAL A 101 5.715 -5.816 4.276 1.00 0.00 C ATOM 1439 O VAL A 101 6.465 -6.753 4.003 1.00 0.00 O ATOM 1440 CB VAL A 101 5.956 -5.191 1.882 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.232 -6.386 1.293 1.00 0.00 C ATOM 1442 CG2 VAL A 101 5.948 -4.019 0.915 1.00 0.00 C ATOM 0 H VAL A 101 6.695 -3.402 3.984 1.00 0.00 H new ATOM 0 HA VAL A 101 4.239 -4.765 3.110 1.00 0.00 H new ATOM 0 HB VAL A 101 6.993 -5.476 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.693 -6.659 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.297 -7.227 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.185 -6.132 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.400 -4.323 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.921 -3.700 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.517 -3.192 1.340 1.00 0.00 H new ATOM 1452 N PRO A 102 5.218 -5.634 5.502 1.00 0.00 N ATOM 1453 CA PRO A 102 5.510 -6.518 6.627 1.00 0.00 C ATOM 1454 C PRO A 102 4.563 -7.710 6.709 1.00 0.00 C ATOM 1455 O PRO A 102 3.653 -7.857 5.892 1.00 0.00 O ATOM 1456 CB PRO A 102 5.315 -5.593 7.821 1.00 0.00 C ATOM 1457 CG PRO A 102 4.227 -4.662 7.397 1.00 0.00 C ATOM 1458 CD PRO A 102 4.333 -4.529 5.892 1.00 0.00 C ATOM 0 HA PRO A 102 6.500 -6.968 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.034 -6.151 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.231 -5.052 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.250 -5.052 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.337 -3.691 7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.357 -4.611 5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.749 -3.563 5.604 1.00 0.00 H new ATOM 1466 N LEU A 103 4.786 -8.557 7.708 1.00 0.00 N ATOM 1467 CA LEU A 103 3.963 -9.743 7.920 1.00 0.00 C ATOM 1468 C LEU A 103 3.941 -10.116 9.401 1.00 0.00 C ATOM 1469 O LEU A 103 4.770 -9.641 10.178 1.00 0.00 O ATOM 1470 CB LEU A 103 4.499 -10.915 7.089 1.00 0.00 C ATOM 1471 CG LEU A 103 4.092 -10.910 5.613 1.00 0.00 C ATOM 1472 CD1 LEU A 103 4.880 -11.955 4.839 1.00 0.00 C ATOM 1473 CD2 LEU A 103 2.595 -11.152 5.467 1.00 0.00 C ATOM 0 H LEU A 103 5.536 -8.443 8.389 1.00 0.00 H new ATOM 0 HA LEU A 103 2.945 -9.521 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.587 -10.914 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.156 -11.846 7.540 1.00 0.00 H new ATOM 0 HG LEU A 103 4.321 -9.929 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.577 -11.937 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.945 -11.736 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.683 -12.942 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.327 -11.145 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.339 -12.119 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.047 -10.366 5.986 1.00 0.00 H new ATOM 1485 N PRO A 104 2.992 -10.971 9.814 1.00 0.00 N ATOM 1486 CA PRO A 104 2.869 -11.399 11.210 1.00 0.00 C ATOM 1487 C PRO A 104 3.957 -12.390 11.610 1.00 0.00 C ATOM 1488 O PRO A 104 3.831 -13.594 11.380 1.00 0.00 O ATOM 1489 CB PRO A 104 1.493 -12.063 11.253 1.00 0.00 C ATOM 1490 CG PRO A 104 1.265 -12.556 9.866 1.00 0.00 C ATOM 1491 CD PRO A 104 1.964 -11.585 8.952 1.00 0.00 C ATOM 0 HA PRO A 104 2.977 -10.567 11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.471 -12.882 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 104 0.721 -11.354 11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 104 1.663 -13.563 9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 104 0.200 -12.604 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.410 -12.091 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.274 -10.839 8.558 1.00 0.00 H new ATOM 1499 N ALA A 105 5.029 -11.877 12.208 1.00 0.00 N ATOM 1500 CA ALA A 105 6.141 -12.715 12.639 1.00 0.00 C ATOM 1501 C ALA A 105 6.396 -12.565 14.135 1.00 0.00 C ATOM 1502 O ALA A 105 5.845 -13.371 14.912 1.00 0.00 O ATOM 1503 CB ALA A 105 7.396 -12.368 11.851 1.00 0.00 C ATOM 1504 OXT ALA A 105 7.150 -11.645 14.516 1.00 0.00 O ATOM 0 H ALA A 105 5.150 -10.883 12.405 1.00 0.00 H new ATOM 0 HA ALA A 105 5.877 -13.755 12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.220 -13.000 12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.216 -12.533 10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.652 -11.322 12.017 1.00 0.00 H new TER 1510 ALA A 105 HETATM 1511 FE1 FES A 106 -5.115 -6.607 -7.988 1.00 0.00 FE HETATM 1512 FE2 FES A 106 -4.346 -4.787 -6.216 1.00 0.00 FE HETATM 1513 S1 FES A 106 -6.371 -5.599 -6.486 1.00 0.00 S HETATM 1514 S2 FES A 106 -3.115 -5.718 -7.782 1.00 0.00 S