USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 29 SER OG : rot -147:sc= 1.24 USER MOD Set 1.2: A 49 ASN : amide:sc= 0.192 K(o=-1.9,f=-3.6) USER MOD Set 1.3: A 52 MET CE :methyl -111:sc= -3.51! (180deg=-4.52!) USER MOD Set 1.4: A 53 ASN : amide:sc= 0.224 K(o=-1.9,f=-2.5) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= -15! C(o=-19!,f=-22!) USER MOD Set 2.3: A 62 GLN : amide:sc= -4.39! C(o=-19!,f=-17!) USER MOD Single : A 5 THR OG1 : rot -65:sc= 0.0829 USER MOD Single : A 8 GLN : amide:sc= -6.25! C(o=-6.3!,f=-9.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.45! K(o=-2.4!,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -8.91! C(o=-8.9!,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.057 USER MOD Single : A 34 THR OG1 : rot 82:sc= -0.544 USER MOD Single : A 44 SER OG : rot 32:sc= 0.859 USER MOD Single : A 61 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 137:sc= -0.451 (180deg=-4.21!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.272 0.193 -18.514 1.00 0.00 N ATOM 40 CA LEU A 4 -15.262 0.061 -17.425 1.00 0.00 C ATOM 41 C LEU A 4 -15.952 -0.325 -16.109 1.00 0.00 C ATOM 42 O LEU A 4 -16.315 -1.467 -15.906 1.00 0.00 O ATOM 43 CB LEU A 4 -14.612 1.443 -17.325 1.00 0.00 C ATOM 44 CG LEU A 4 -13.459 1.539 -18.324 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.012 1.482 -19.749 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.716 2.861 -18.120 1.00 0.00 C ATOM 0 HA LEU A 4 -14.525 -0.716 -17.627 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.350 2.219 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.245 1.611 -16.313 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.773 0.707 -18.166 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.190 1.550 -20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.542 0.541 -19.896 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.699 2.314 -19.906 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.894 2.930 -18.832 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.403 3.693 -18.277 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.321 2.904 -17.105 1.00 0.00 H new ATOM 58 N THR A 5 -16.142 0.610 -15.216 1.00 0.00 N ATOM 59 CA THR A 5 -16.814 0.282 -13.922 1.00 0.00 C ATOM 60 C THR A 5 -16.173 -0.956 -13.287 1.00 0.00 C ATOM 61 O THR A 5 -14.985 -1.183 -13.408 1.00 0.00 O ATOM 62 CB THR A 5 -18.279 0.003 -14.280 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.412 -1.336 -14.742 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.744 0.969 -15.373 1.00 0.00 C ATOM 0 H THR A 5 -15.862 1.585 -15.325 1.00 0.00 H new ATOM 0 HA THR A 5 -16.722 1.094 -13.201 1.00 0.00 H new ATOM 0 HB THR A 5 -18.895 0.145 -13.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.920 -1.442 -15.583 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.785 0.764 -15.621 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.651 1.995 -15.016 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.127 0.837 -16.262 1.00 0.00 H new ATOM 72 N GLU A 6 -16.952 -1.756 -12.610 1.00 0.00 N ATOM 73 CA GLU A 6 -16.392 -2.980 -11.965 1.00 0.00 C ATOM 74 C GLU A 6 -15.398 -3.667 -12.903 1.00 0.00 C ATOM 75 O GLU A 6 -14.446 -4.287 -12.471 1.00 0.00 O ATOM 76 CB GLU A 6 -17.605 -3.877 -11.709 1.00 0.00 C ATOM 77 CG GLU A 6 -18.061 -4.520 -13.021 1.00 0.00 C ATOM 78 CD GLU A 6 -17.222 -5.769 -13.297 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.086 -6.578 -12.395 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.731 -5.894 -14.407 1.00 0.00 O ATOM 0 H GLU A 6 -17.953 -1.615 -12.475 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.850 -2.755 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.351 -4.650 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.417 -3.291 -11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.117 -4.784 -12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.956 -3.810 -13.842 1.00 0.00 H new ATOM 87 N GLU A 7 -15.608 -3.553 -14.184 1.00 0.00 N ATOM 88 CA GLU A 7 -14.672 -4.189 -15.151 1.00 0.00 C ATOM 89 C GLU A 7 -13.321 -3.481 -15.087 1.00 0.00 C ATOM 90 O GLU A 7 -12.281 -4.106 -14.996 1.00 0.00 O ATOM 91 CB GLU A 7 -15.320 -3.993 -16.521 1.00 0.00 C ATOM 92 CG GLU A 7 -15.009 -5.198 -17.411 1.00 0.00 C ATOM 93 CD GLU A 7 -16.128 -6.233 -17.277 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.170 -5.886 -16.746 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.923 -7.357 -17.708 1.00 0.00 O ATOM 0 H GLU A 7 -16.388 -3.047 -14.603 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.498 -5.244 -14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.398 -3.877 -16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.947 -3.080 -16.984 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.914 -4.882 -18.450 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.055 -5.639 -17.124 1.00 0.00 H new ATOM 102 N GLN A 8 -13.329 -2.177 -15.115 1.00 0.00 N ATOM 103 CA GLN A 8 -12.045 -1.430 -15.037 1.00 0.00 C ATOM 104 C GLN A 8 -11.485 -1.553 -13.618 1.00 0.00 C ATOM 105 O GLN A 8 -10.322 -1.836 -13.419 1.00 0.00 O ATOM 106 CB GLN A 8 -12.401 0.025 -15.390 1.00 0.00 C ATOM 107 CG GLN A 8 -12.757 0.820 -14.127 1.00 0.00 C ATOM 108 CD GLN A 8 -12.950 2.293 -14.491 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.118 2.881 -15.154 1.00 0.00 O ATOM 110 NE2 GLN A 8 -14.018 2.920 -14.078 1.00 0.00 N ATOM 0 H GLN A 8 -14.166 -1.599 -15.188 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.280 -1.811 -15.714 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.560 0.497 -15.897 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.241 0.041 -16.084 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.667 0.423 -13.678 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.965 0.718 -13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.716 2.426 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.154 3.903 -14.312 1.00 0.00 H new ATOM 119 N ILE A 9 -12.317 -1.356 -12.632 1.00 0.00 N ATOM 120 CA ILE A 9 -11.850 -1.476 -11.226 1.00 0.00 C ATOM 121 C ILE A 9 -11.162 -2.823 -11.027 1.00 0.00 C ATOM 122 O ILE A 9 -9.985 -2.893 -10.742 1.00 0.00 O ATOM 123 CB ILE A 9 -13.117 -1.401 -10.380 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.786 -0.039 -10.579 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.754 -1.583 -8.907 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.288 -0.168 -10.323 1.00 0.00 C ATOM 0 H ILE A 9 -13.302 -1.117 -12.742 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.134 -0.699 -10.957 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.806 -2.189 -10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.352 0.694 -9.899 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.608 0.321 -11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.658 -1.530 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.279 -2.554 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.065 -0.795 -8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.766 0.801 -10.464 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.715 -0.888 -11.020 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.455 -0.509 -9.301 1.00 0.00 H new ATOM 138 N ALA A 10 -11.887 -3.897 -11.181 1.00 0.00 N ATOM 139 CA ALA A 10 -11.266 -5.240 -11.004 1.00 0.00 C ATOM 140 C ALA A 10 -9.906 -5.273 -11.706 1.00 0.00 C ATOM 141 O ALA A 10 -8.911 -5.687 -11.140 1.00 0.00 O ATOM 142 CB ALA A 10 -12.238 -6.220 -11.662 1.00 0.00 C ATOM 0 H ALA A 10 -12.878 -3.903 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.096 -5.488 -9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.849 -7.234 -11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.207 -6.158 -11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.352 -5.967 -12.716 1.00 0.00 H new ATOM 148 N GLU A 11 -9.856 -4.829 -12.932 1.00 0.00 N ATOM 149 CA GLU A 11 -8.562 -4.823 -13.668 1.00 0.00 C ATOM 150 C GLU A 11 -7.556 -3.936 -12.933 1.00 0.00 C ATOM 151 O GLU A 11 -6.400 -4.277 -12.786 1.00 0.00 O ATOM 152 CB GLU A 11 -8.888 -4.243 -15.045 1.00 0.00 C ATOM 153 CG GLU A 11 -8.143 -5.032 -16.122 1.00 0.00 C ATOM 154 CD GLU A 11 -9.109 -5.392 -17.253 1.00 0.00 C ATOM 155 OE1 GLU A 11 -10.031 -4.627 -17.483 1.00 0.00 O ATOM 156 OE2 GLU A 11 -8.911 -6.426 -17.868 1.00 0.00 O ATOM 0 H GLU A 11 -10.655 -4.471 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.120 -5.816 -13.746 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.962 -4.287 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.601 -3.192 -15.086 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.314 -4.442 -16.512 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.715 -5.938 -15.693 1.00 0.00 H new ATOM 163 N PHE A 12 -7.994 -2.800 -12.463 1.00 0.00 N ATOM 164 CA PHE A 12 -7.074 -1.891 -11.727 1.00 0.00 C ATOM 165 C PHE A 12 -6.604 -2.566 -10.438 1.00 0.00 C ATOM 166 O PHE A 12 -5.422 -2.650 -10.167 1.00 0.00 O ATOM 167 CB PHE A 12 -7.914 -0.650 -11.418 1.00 0.00 C ATOM 168 CG PHE A 12 -8.118 0.145 -12.685 1.00 0.00 C ATOM 169 CD1 PHE A 12 -7.017 0.491 -13.476 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.408 0.534 -13.072 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.202 1.227 -14.652 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.592 1.270 -14.249 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.489 1.617 -15.039 1.00 0.00 C ATOM 0 H PHE A 12 -8.952 -2.463 -12.558 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.181 -1.640 -12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.877 -0.944 -11.001 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.415 -0.037 -10.667 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.023 0.190 -13.179 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.259 0.266 -12.463 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.351 1.494 -15.261 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.585 1.570 -14.548 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.632 2.185 -15.946 1.00 0.00 H new ATOM 183 N LYS A 13 -7.522 -3.049 -9.645 1.00 0.00 N ATOM 184 CA LYS A 13 -7.138 -3.728 -8.375 1.00 0.00 C ATOM 185 C LYS A 13 -5.912 -4.609 -8.613 1.00 0.00 C ATOM 186 O LYS A 13 -4.906 -4.485 -7.943 1.00 0.00 O ATOM 187 CB LYS A 13 -8.348 -4.581 -7.995 1.00 0.00 C ATOM 188 CG LYS A 13 -9.348 -3.730 -7.211 1.00 0.00 C ATOM 189 CD LYS A 13 -10.225 -4.639 -6.346 1.00 0.00 C ATOM 190 CE LYS A 13 -9.518 -4.915 -5.017 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.589 -4.823 -3.986 1.00 0.00 N ATOM 0 H LYS A 13 -8.525 -3.002 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.881 -3.022 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.820 -4.981 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.031 -5.434 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.818 -3.014 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.969 -3.154 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.190 -4.166 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.421 -5.576 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.051 -5.900 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.728 -4.188 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.182 -5.001 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.010 -3.872 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.324 -5.532 -4.185 1.00 0.00 H new ATOM 205 N GLU A 14 -5.980 -5.487 -9.575 1.00 0.00 N ATOM 206 CA GLU A 14 -4.806 -6.357 -9.863 1.00 0.00 C ATOM 207 C GLU A 14 -3.583 -5.476 -10.131 1.00 0.00 C ATOM 208 O GLU A 14 -2.504 -5.714 -9.620 1.00 0.00 O ATOM 209 CB GLU A 14 -5.189 -7.147 -11.114 1.00 0.00 C ATOM 210 CG GLU A 14 -6.478 -7.927 -10.850 1.00 0.00 C ATOM 211 CD GLU A 14 -6.449 -9.240 -11.634 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.541 -10.024 -11.407 1.00 0.00 O ATOM 213 OE2 GLU A 14 -7.336 -9.441 -12.448 1.00 0.00 O ATOM 0 H GLU A 14 -6.793 -5.639 -10.171 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.558 -7.022 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.327 -6.470 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.386 -7.832 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.581 -8.130 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.342 -7.333 -11.147 1.00 0.00 H new ATOM 220 N ALA A 15 -3.749 -4.451 -10.922 1.00 0.00 N ATOM 221 CA ALA A 15 -2.606 -3.543 -11.218 1.00 0.00 C ATOM 222 C ALA A 15 -2.174 -2.824 -9.939 1.00 0.00 C ATOM 223 O ALA A 15 -1.007 -2.781 -9.604 1.00 0.00 O ATOM 224 CB ALA A 15 -3.144 -2.543 -12.241 1.00 0.00 C ATOM 0 H ALA A 15 -4.628 -4.204 -11.376 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.736 -4.078 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.357 -1.838 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.473 -3.076 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.986 -2.000 -11.811 1.00 0.00 H new ATOM 230 N PHE A 16 -3.108 -2.265 -9.215 1.00 0.00 N ATOM 231 CA PHE A 16 -2.741 -1.560 -7.955 1.00 0.00 C ATOM 232 C PHE A 16 -1.767 -2.421 -7.152 1.00 0.00 C ATOM 233 O PHE A 16 -0.634 -2.049 -6.924 1.00 0.00 O ATOM 234 CB PHE A 16 -4.052 -1.384 -7.189 1.00 0.00 C ATOM 235 CG PHE A 16 -3.742 -0.936 -5.779 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.381 0.394 -5.533 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.811 -1.851 -4.722 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.089 0.809 -4.227 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.520 -1.435 -3.417 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.159 -0.105 -3.170 1.00 0.00 C ATOM 0 H PHE A 16 -4.103 -2.267 -9.441 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.256 -0.602 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.683 -0.648 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.607 -2.322 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.328 1.099 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.088 -2.877 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.810 1.835 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.574 -2.140 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.935 0.215 -2.163 1.00 0.00 H new ATOM 250 N ALA A 17 -2.201 -3.577 -6.727 1.00 0.00 N ATOM 251 CA ALA A 17 -1.296 -4.465 -5.947 1.00 0.00 C ATOM 252 C ALA A 17 0.081 -4.501 -6.612 1.00 0.00 C ATOM 253 O ALA A 17 1.097 -4.327 -5.969 1.00 0.00 O ATOM 254 CB ALA A 17 -1.954 -5.845 -5.992 1.00 0.00 C ATOM 0 H ALA A 17 -3.140 -3.943 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.153 -4.123 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.344 -6.557 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.946 -5.790 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.042 -6.173 -7.028 1.00 0.00 H new ATOM 260 N LEU A 18 0.122 -4.714 -7.900 1.00 0.00 N ATOM 261 CA LEU A 18 1.434 -4.746 -8.604 1.00 0.00 C ATOM 262 C LEU A 18 2.300 -3.577 -8.131 1.00 0.00 C ATOM 263 O LEU A 18 3.469 -3.732 -7.844 1.00 0.00 O ATOM 264 CB LEU A 18 1.095 -4.600 -10.088 1.00 0.00 C ATOM 265 CG LEU A 18 2.118 -5.371 -10.925 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.928 -5.032 -12.404 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.531 -4.976 -10.489 1.00 0.00 C ATOM 0 H LEU A 18 -0.694 -4.867 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 18 1.992 -5.662 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.092 -4.979 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.098 -3.547 -10.370 1.00 0.00 H new ATOM 0 HG LEU A 18 1.976 -6.442 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.657 -5.581 -13.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.921 -5.311 -12.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.070 -3.962 -12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.262 -5.524 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.672 -3.905 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.667 -5.217 -9.435 1.00 0.00 H new ATOM 279 N PHE A 19 1.726 -2.407 -8.036 1.00 0.00 N ATOM 280 CA PHE A 19 2.508 -1.228 -7.569 1.00 0.00 C ATOM 281 C PHE A 19 2.902 -1.418 -6.102 1.00 0.00 C ATOM 282 O PHE A 19 3.997 -1.087 -5.693 1.00 0.00 O ATOM 283 CB PHE A 19 1.561 -0.037 -7.717 1.00 0.00 C ATOM 284 CG PHE A 19 1.132 0.100 -9.158 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.003 -0.273 -10.188 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.139 0.604 -9.464 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.604 -0.144 -11.524 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.537 0.735 -10.800 1.00 0.00 C ATOM 289 CZ PHE A 19 0.335 0.361 -11.830 1.00 0.00 C ATOM 0 H PHE A 19 0.749 -2.218 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 19 3.427 -1.087 -8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.688 -0.174 -7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.056 0.876 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.983 -0.660 -9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.812 0.891 -8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.276 -0.434 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.516 1.124 -11.036 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.028 0.462 -12.861 1.00 0.00 H new ATOM 299 N ASP A 20 2.011 -1.950 -5.311 1.00 0.00 N ATOM 300 CA ASP A 20 2.324 -2.167 -3.870 1.00 0.00 C ATOM 301 C ASP A 20 3.088 -3.482 -3.688 1.00 0.00 C ATOM 302 O ASP A 20 2.804 -4.470 -4.337 1.00 0.00 O ATOM 303 CB ASP A 20 0.961 -2.238 -3.180 1.00 0.00 C ATOM 304 CG ASP A 20 1.112 -1.854 -1.707 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.049 -1.137 -1.396 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.289 -2.282 -0.916 1.00 0.00 O ATOM 0 H ASP A 20 1.078 -2.244 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 20 2.951 -1.377 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.258 -1.566 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.551 -3.245 -3.264 1.00 0.00 H new ATOM 311 N LYS A 21 4.057 -3.501 -2.815 1.00 0.00 N ATOM 312 CA LYS A 21 4.838 -4.754 -2.597 1.00 0.00 C ATOM 313 C LYS A 21 4.387 -5.442 -1.306 1.00 0.00 C ATOM 314 O LYS A 21 4.954 -6.432 -0.890 1.00 0.00 O ATOM 315 CB LYS A 21 6.293 -4.296 -2.484 1.00 0.00 C ATOM 316 CG LYS A 21 6.703 -3.577 -3.770 1.00 0.00 C ATOM 317 CD LYS A 21 7.112 -4.609 -4.824 1.00 0.00 C ATOM 318 CE LYS A 21 8.431 -4.183 -5.471 1.00 0.00 C ATOM 319 NZ LYS A 21 9.227 -5.437 -5.581 1.00 0.00 N ATOM 0 H LYS A 21 4.342 -2.706 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 21 4.699 -5.475 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.410 -3.630 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.943 -5.154 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.876 -2.972 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.531 -2.897 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.221 -5.591 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.334 -4.697 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.264 -3.734 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.947 -3.440 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.148 -5.227 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.376 -5.838 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.714 -6.123 -6.170 1.00 0.00 H new ATOM 333 N ASP A 22 3.373 -4.925 -0.668 1.00 0.00 N ATOM 334 CA ASP A 22 2.888 -5.551 0.595 1.00 0.00 C ATOM 335 C ASP A 22 1.408 -5.919 0.468 1.00 0.00 C ATOM 336 O ASP A 22 0.871 -6.660 1.267 1.00 0.00 O ATOM 337 CB ASP A 22 3.086 -4.480 1.667 1.00 0.00 C ATOM 338 CG ASP A 22 4.521 -3.956 1.609 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.431 -4.765 1.679 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.687 -2.753 1.494 1.00 0.00 O ATOM 0 H ASP A 22 2.859 -4.096 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 22 3.423 -6.470 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.383 -3.662 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.879 -4.896 2.653 1.00 0.00 H new ATOM 345 N ASN A 23 0.745 -5.406 -0.532 1.00 0.00 N ATOM 346 CA ASN A 23 -0.702 -5.726 -0.711 1.00 0.00 C ATOM 347 C ASN A 23 -1.510 -5.206 0.479 1.00 0.00 C ATOM 348 O ASN A 23 -2.553 -5.733 0.810 1.00 0.00 O ATOM 349 CB ASN A 23 -0.779 -7.251 -0.774 1.00 0.00 C ATOM 350 CG ASN A 23 0.385 -7.798 -1.604 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.323 -7.823 -2.817 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.452 -8.243 -0.997 1.00 0.00 N ATOM 0 H ASN A 23 1.141 -4.780 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.111 -5.262 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.746 -7.667 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.727 -7.558 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.232 -8.611 -1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.505 -8.223 0.021 1.00 0.00 H new ATOM 359 N ASN A 24 -1.040 -4.173 1.123 1.00 0.00 N ATOM 360 CA ASN A 24 -1.788 -3.621 2.289 1.00 0.00 C ATOM 361 C ASN A 24 -2.842 -2.621 1.807 1.00 0.00 C ATOM 362 O ASN A 24 -3.296 -1.775 2.552 1.00 0.00 O ATOM 363 CB ASN A 24 -0.734 -2.914 3.144 1.00 0.00 C ATOM 364 CG ASN A 24 0.515 -3.790 3.252 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.611 -3.289 3.406 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.396 -5.088 3.178 1.00 0.00 N ATOM 0 H ASN A 24 -0.173 -3.688 0.893 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.310 -4.397 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.478 -1.952 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.134 -2.711 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.223 -5.681 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.524 -5.509 3.049 1.00 0.00 H new ATOM 373 N GLY A 25 -3.228 -2.706 0.562 1.00 0.00 N ATOM 374 CA GLY A 25 -4.244 -1.754 0.033 1.00 0.00 C ATOM 375 C GLY A 25 -3.659 -0.342 0.046 1.00 0.00 C ATOM 376 O GLY A 25 -4.366 0.637 -0.080 1.00 0.00 O ATOM 0 H GLY A 25 -2.884 -3.392 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.530 -2.034 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.148 -1.792 0.641 1.00 0.00 H new ATOM 380 N SER A 26 -2.367 -0.235 0.199 1.00 0.00 N ATOM 381 CA SER A 26 -1.725 1.109 0.226 1.00 0.00 C ATOM 382 C SER A 26 -0.312 1.023 -0.357 1.00 0.00 C ATOM 383 O SER A 26 0.400 0.061 -0.144 1.00 0.00 O ATOM 384 CB SER A 26 -1.680 1.490 1.704 1.00 0.00 C ATOM 385 OG SER A 26 -0.372 1.941 2.035 1.00 0.00 O ATOM 0 H SER A 26 -1.728 -1.022 0.307 1.00 0.00 H new ATOM 0 HA SER A 26 -2.267 1.846 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.410 2.272 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.948 0.632 2.321 1.00 0.00 H new ATOM 0 HG SER A 26 -0.341 2.188 2.983 1.00 0.00 H new ATOM 391 N ILE A 27 0.099 2.019 -1.091 1.00 0.00 N ATOM 392 CA ILE A 27 1.466 1.989 -1.687 1.00 0.00 C ATOM 393 C ILE A 27 2.287 3.183 -1.194 1.00 0.00 C ATOM 394 O ILE A 27 1.788 4.282 -1.066 1.00 0.00 O ATOM 395 CB ILE A 27 1.238 2.080 -3.196 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.761 0.727 -3.720 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.546 2.463 -3.892 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.339 0.945 -4.759 1.00 0.00 C ATOM 0 H ILE A 27 -0.450 2.851 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 27 2.019 1.091 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 27 0.483 2.839 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.594 0.182 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.385 0.118 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.381 2.527 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.887 3.429 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.303 1.706 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.681 -0.019 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.175 1.472 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.053 1.538 -5.585 1.00 0.00 H new ATOM 410 N SER A 28 3.545 2.973 -0.920 1.00 0.00 N ATOM 411 CA SER A 28 4.402 4.095 -0.439 1.00 0.00 C ATOM 412 C SER A 28 5.296 4.599 -1.575 1.00 0.00 C ATOM 413 O SER A 28 5.099 4.265 -2.727 1.00 0.00 O ATOM 414 CB SER A 28 5.247 3.495 0.684 1.00 0.00 C ATOM 415 OG SER A 28 5.020 4.223 1.883 1.00 0.00 O ATOM 0 H SER A 28 4.017 2.073 -1.008 1.00 0.00 H new ATOM 0 HA SER A 28 3.815 4.947 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.989 2.446 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.304 3.530 0.418 1.00 0.00 H new ATOM 0 HG SER A 28 5.559 3.839 2.606 1.00 0.00 H new ATOM 421 N SER A 29 6.278 5.398 -1.261 1.00 0.00 N ATOM 422 CA SER A 29 7.183 5.922 -2.324 1.00 0.00 C ATOM 423 C SER A 29 7.866 4.764 -3.057 1.00 0.00 C ATOM 424 O SER A 29 7.499 4.411 -4.160 1.00 0.00 O ATOM 425 CB SER A 29 8.214 6.770 -1.582 1.00 0.00 C ATOM 426 OG SER A 29 8.108 8.121 -2.012 1.00 0.00 O ATOM 0 H SER A 29 6.493 5.711 -0.314 1.00 0.00 H new ATOM 0 HA SER A 29 6.646 6.499 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.049 6.705 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.218 6.393 -1.774 1.00 0.00 H new ATOM 0 HG SER A 29 8.995 8.539 -2.000 1.00 0.00 H new ATOM 432 N SER A 30 8.860 4.171 -2.453 1.00 0.00 N ATOM 433 CA SER A 30 9.567 3.037 -3.116 1.00 0.00 C ATOM 434 C SER A 30 8.554 2.047 -3.699 1.00 0.00 C ATOM 435 O SER A 30 8.694 1.588 -4.814 1.00 0.00 O ATOM 436 CB SER A 30 10.383 2.378 -2.005 1.00 0.00 C ATOM 437 OG SER A 30 9.530 2.084 -0.907 1.00 0.00 O ATOM 0 H SER A 30 9.213 4.422 -1.530 1.00 0.00 H new ATOM 0 HA SER A 30 10.195 3.369 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.849 1.464 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.188 3.041 -1.688 1.00 0.00 H new ATOM 0 HG SER A 30 10.050 1.660 -0.193 1.00 0.00 H new ATOM 443 N GLU A 31 7.538 1.715 -2.952 1.00 0.00 N ATOM 444 CA GLU A 31 6.518 0.753 -3.463 1.00 0.00 C ATOM 445 C GLU A 31 6.174 1.070 -4.921 1.00 0.00 C ATOM 446 O GLU A 31 6.566 0.363 -5.829 1.00 0.00 O ATOM 447 CB GLU A 31 5.297 0.957 -2.567 1.00 0.00 C ATOM 448 CG GLU A 31 5.601 0.433 -1.162 1.00 0.00 C ATOM 449 CD GLU A 31 4.335 -0.180 -0.560 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.499 0.576 -0.092 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.223 -1.395 -0.576 1.00 0.00 O ATOM 0 H GLU A 31 7.369 2.067 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 31 6.874 -0.277 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.037 2.015 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.436 0.434 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.394 -0.313 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.961 1.245 -0.530 1.00 0.00 H new ATOM 458 N LEU A 32 5.446 2.127 -5.154 1.00 0.00 N ATOM 459 CA LEU A 32 5.079 2.485 -6.554 1.00 0.00 C ATOM 460 C LEU A 32 6.338 2.787 -7.371 1.00 0.00 C ATOM 461 O LEU A 32 6.296 2.885 -8.581 1.00 0.00 O ATOM 462 CB LEU A 32 4.207 3.736 -6.429 1.00 0.00 C ATOM 463 CG LEU A 32 2.784 3.415 -6.889 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.854 4.568 -6.510 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.769 3.227 -8.408 1.00 0.00 C ATOM 0 H LEU A 32 5.089 2.758 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 32 4.558 1.675 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.197 4.083 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.622 4.543 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 32 2.444 2.499 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.840 4.340 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.864 4.703 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.194 5.484 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.755 2.998 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.109 4.143 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.432 2.406 -8.680 1.00 0.00 H new ATOM 477 N ALA A 33 7.458 2.934 -6.718 1.00 0.00 N ATOM 478 CA ALA A 33 8.719 3.229 -7.458 1.00 0.00 C ATOM 479 C ALA A 33 9.355 1.929 -7.957 1.00 0.00 C ATOM 480 O ALA A 33 10.042 1.907 -8.959 1.00 0.00 O ATOM 481 CB ALA A 33 9.628 3.912 -6.436 1.00 0.00 C ATOM 0 H ALA A 33 7.555 2.863 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 33 8.547 3.855 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.580 4.162 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.151 4.823 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.803 3.238 -5.597 1.00 0.00 H new ATOM 487 N THR A 34 9.131 0.845 -7.267 1.00 0.00 N ATOM 488 CA THR A 34 9.723 -0.453 -7.702 1.00 0.00 C ATOM 489 C THR A 34 8.923 -1.033 -8.871 1.00 0.00 C ATOM 490 O THR A 34 9.197 -2.116 -9.347 1.00 0.00 O ATOM 491 CB THR A 34 9.624 -1.364 -6.478 1.00 0.00 C ATOM 492 OG1 THR A 34 9.604 -0.571 -5.300 1.00 0.00 O ATOM 493 CG2 THR A 34 10.829 -2.306 -6.442 1.00 0.00 C ATOM 0 H THR A 34 8.564 0.801 -6.420 1.00 0.00 H new ATOM 0 HA THR A 34 10.752 -0.344 -8.045 1.00 0.00 H new ATOM 0 HB THR A 34 8.708 -1.952 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.694 -0.242 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.758 -2.955 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.842 -2.914 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.747 -1.721 -6.385 1.00 0.00 H new ATOM 501 N VAL A 35 7.934 -0.320 -9.338 1.00 0.00 N ATOM 502 CA VAL A 35 7.117 -0.831 -10.475 1.00 0.00 C ATOM 503 C VAL A 35 7.951 -0.849 -11.759 1.00 0.00 C ATOM 504 O VAL A 35 8.021 -1.844 -12.452 1.00 0.00 O ATOM 505 CB VAL A 35 5.957 0.155 -10.604 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.005 -0.317 -11.705 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.200 0.226 -9.275 1.00 0.00 C ATOM 0 H VAL A 35 7.657 0.594 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 35 6.769 -1.850 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 35 6.345 1.141 -10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.178 0.387 -11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.542 -0.371 -12.652 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.616 -1.303 -11.452 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.372 0.929 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.812 -0.761 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.876 0.561 -8.488 1.00 0.00 H new ATOM 639 N SER A 44 14.551 8.162 -8.612 1.00 0.00 N ATOM 640 CA SER A 44 14.884 8.636 -7.238 1.00 0.00 C ATOM 641 C SER A 44 13.644 9.229 -6.566 1.00 0.00 C ATOM 642 O SER A 44 12.636 9.453 -7.203 1.00 0.00 O ATOM 643 CB SER A 44 15.955 9.708 -7.436 1.00 0.00 C ATOM 644 OG SER A 44 16.807 9.328 -8.506 1.00 0.00 O ATOM 0 HA SER A 44 15.233 7.827 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.488 10.669 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.534 9.833 -6.521 1.00 0.00 H new ATOM 0 HG SER A 44 16.293 8.823 -9.170 1.00 0.00 H new ATOM 650 N GLU A 45 13.715 9.473 -5.281 1.00 0.00 N ATOM 651 CA GLU A 45 12.546 10.045 -4.544 1.00 0.00 C ATOM 652 C GLU A 45 11.762 11.015 -5.432 1.00 0.00 C ATOM 653 O GLU A 45 10.564 10.889 -5.587 1.00 0.00 O ATOM 654 CB GLU A 45 13.156 10.786 -3.353 1.00 0.00 C ATOM 655 CG GLU A 45 12.043 11.231 -2.404 1.00 0.00 C ATOM 656 CD GLU A 45 11.476 10.012 -1.674 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.001 9.678 -0.624 1.00 0.00 O ATOM 658 OE2 GLU A 45 10.528 9.434 -2.177 1.00 0.00 O ATOM 0 H GLU A 45 14.540 9.299 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 45 11.843 9.271 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.858 10.138 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.720 11.652 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.431 11.951 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.253 11.733 -2.963 1.00 0.00 H new ATOM 665 N ALA A 46 12.424 11.974 -6.021 1.00 0.00 N ATOM 666 CA ALA A 46 11.702 12.936 -6.903 1.00 0.00 C ATOM 667 C ALA A 46 10.718 12.174 -7.794 1.00 0.00 C ATOM 668 O ALA A 46 9.557 12.518 -7.892 1.00 0.00 O ATOM 669 CB ALA A 46 12.791 13.598 -7.746 1.00 0.00 C ATOM 0 H ALA A 46 13.428 12.133 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 46 11.128 13.672 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.337 14.322 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.499 14.107 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.315 12.838 -8.326 1.00 0.00 H new ATOM 675 N GLU A 47 11.175 11.131 -8.429 1.00 0.00 N ATOM 676 CA GLU A 47 10.272 10.328 -9.301 1.00 0.00 C ATOM 677 C GLU A 47 9.434 9.385 -8.431 1.00 0.00 C ATOM 678 O GLU A 47 8.227 9.317 -8.549 1.00 0.00 O ATOM 679 CB GLU A 47 11.221 9.549 -10.222 1.00 0.00 C ATOM 680 CG GLU A 47 10.583 8.223 -10.649 1.00 0.00 C ATOM 681 CD GLU A 47 9.142 8.470 -11.099 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.850 9.585 -11.501 1.00 0.00 O ATOM 683 OE2 GLU A 47 8.355 7.541 -11.035 1.00 0.00 O ATOM 0 H GLU A 47 12.138 10.799 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 47 9.570 10.933 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.456 10.147 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.162 9.358 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.157 7.776 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.600 7.516 -9.820 1.00 0.00 H new ATOM 690 N VAL A 48 10.072 8.663 -7.551 1.00 0.00 N ATOM 691 CA VAL A 48 9.328 7.729 -6.659 1.00 0.00 C ATOM 692 C VAL A 48 8.177 8.470 -5.980 1.00 0.00 C ATOM 693 O VAL A 48 7.016 8.211 -6.232 1.00 0.00 O ATOM 694 CB VAL A 48 10.356 7.287 -5.618 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.774 6.165 -4.760 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.613 6.783 -6.324 1.00 0.00 C ATOM 0 H VAL A 48 11.082 8.680 -7.411 1.00 0.00 H new ATOM 0 HA VAL A 48 8.899 6.885 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 48 10.608 8.135 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.511 5.854 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.878 6.523 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.517 5.317 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.346 6.468 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.357 5.938 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.034 7.583 -6.932 1.00 0.00 H new ATOM 706 N ASN A 49 8.501 9.394 -5.123 1.00 0.00 N ATOM 707 CA ASN A 49 7.446 10.170 -4.417 1.00 0.00 C ATOM 708 C ASN A 49 6.499 10.817 -5.435 1.00 0.00 C ATOM 709 O ASN A 49 5.295 10.786 -5.282 1.00 0.00 O ATOM 710 CB ASN A 49 8.233 11.222 -3.625 1.00 0.00 C ATOM 711 CG ASN A 49 7.398 12.494 -3.445 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.303 12.448 -2.921 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.874 13.636 -3.862 1.00 0.00 N ATOM 0 H ASN A 49 9.458 9.647 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 49 6.817 9.560 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.509 10.820 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.160 11.459 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.327 14.489 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.793 13.675 -4.302 1.00 0.00 H new ATOM 720 N ASP A 50 7.034 11.402 -6.475 1.00 0.00 N ATOM 721 CA ASP A 50 6.158 12.045 -7.495 1.00 0.00 C ATOM 722 C ASP A 50 5.067 11.067 -7.942 1.00 0.00 C ATOM 723 O ASP A 50 3.900 11.402 -7.991 1.00 0.00 O ATOM 724 CB ASP A 50 7.089 12.385 -8.661 1.00 0.00 C ATOM 725 CG ASP A 50 6.261 12.658 -9.919 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.946 11.706 -10.615 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.955 13.813 -10.164 1.00 0.00 O ATOM 0 H ASP A 50 8.035 11.462 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 50 5.653 12.930 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.692 13.259 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.779 11.561 -8.840 1.00 0.00 H new ATOM 732 N LEU A 51 5.438 9.857 -8.267 1.00 0.00 N ATOM 733 CA LEU A 51 4.422 8.860 -8.706 1.00 0.00 C ATOM 734 C LEU A 51 3.356 8.682 -7.622 1.00 0.00 C ATOM 735 O LEU A 51 2.180 8.876 -7.856 1.00 0.00 O ATOM 736 CB LEU A 51 5.204 7.561 -8.910 1.00 0.00 C ATOM 737 CG LEU A 51 5.189 7.182 -10.392 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.758 6.861 -10.823 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.719 8.354 -11.221 1.00 0.00 C ATOM 0 H LEU A 51 6.400 9.518 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 51 3.903 9.169 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.231 7.685 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.763 6.761 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 51 5.820 6.307 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.748 6.591 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.378 6.028 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.126 7.735 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.709 8.086 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.087 9.227 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.739 8.584 -10.915 1.00 0.00 H new ATOM 751 N MET A 52 3.760 8.317 -6.436 1.00 0.00 N ATOM 752 CA MET A 52 2.770 8.130 -5.337 1.00 0.00 C ATOM 753 C MET A 52 1.984 9.425 -5.113 1.00 0.00 C ATOM 754 O MET A 52 0.774 9.418 -5.012 1.00 0.00 O ATOM 755 CB MET A 52 3.607 7.788 -4.104 1.00 0.00 C ATOM 756 CG MET A 52 2.758 7.963 -2.844 1.00 0.00 C ATOM 757 SD MET A 52 3.059 9.601 -2.136 1.00 0.00 S ATOM 758 CE MET A 52 4.820 9.376 -1.784 1.00 0.00 C ATOM 0 H MET A 52 4.732 8.140 -6.180 1.00 0.00 H new ATOM 0 HA MET A 52 2.042 7.351 -5.562 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.970 6.762 -4.171 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.484 8.434 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.701 7.848 -3.086 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.004 7.190 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.973 9.336 -0.706 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.165 8.445 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.384 10.211 -2.200 1.00 0.00 H new ATOM 768 N ASN A 53 2.665 10.536 -5.036 1.00 0.00 N ATOM 769 CA ASN A 53 1.957 11.830 -4.820 1.00 0.00 C ATOM 770 C ASN A 53 0.933 12.065 -5.933 1.00 0.00 C ATOM 771 O ASN A 53 -0.184 12.472 -5.687 1.00 0.00 O ATOM 772 CB ASN A 53 3.054 12.895 -4.867 1.00 0.00 C ATOM 773 CG ASN A 53 2.829 13.909 -3.744 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.720 14.354 -3.525 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.842 14.296 -3.018 1.00 0.00 N ATOM 0 H ASN A 53 3.680 10.604 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 53 1.411 11.849 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.033 12.429 -4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.045 13.399 -5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.703 14.972 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.773 13.923 -3.202 1.00 0.00 H new ATOM 782 N GLU A 54 1.305 11.809 -7.158 1.00 0.00 N ATOM 783 CA GLU A 54 0.352 12.016 -8.286 1.00 0.00 C ATOM 784 C GLU A 54 -1.000 11.376 -7.957 1.00 0.00 C ATOM 785 O GLU A 54 -2.044 11.936 -8.223 1.00 0.00 O ATOM 786 CB GLU A 54 0.997 11.321 -9.485 1.00 0.00 C ATOM 787 CG GLU A 54 1.719 12.358 -10.348 1.00 0.00 C ATOM 788 CD GLU A 54 1.213 12.266 -11.789 1.00 0.00 C ATOM 789 OE1 GLU A 54 1.625 11.351 -12.483 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.421 13.110 -12.172 1.00 0.00 O ATOM 0 H GLU A 54 2.227 11.466 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 54 0.166 13.072 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.701 10.562 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.237 10.808 -10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.545 13.359 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.795 12.186 -10.318 1.00 0.00 H new ATOM 797 N ILE A 55 -0.986 10.206 -7.378 1.00 0.00 N ATOM 798 CA ILE A 55 -2.269 9.532 -7.030 1.00 0.00 C ATOM 799 C ILE A 55 -2.609 9.770 -5.557 1.00 0.00 C ATOM 800 O ILE A 55 -3.719 9.541 -5.120 1.00 0.00 O ATOM 801 CB ILE A 55 -2.017 8.046 -7.289 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.544 7.853 -8.732 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.312 7.262 -7.070 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.869 6.487 -8.870 1.00 0.00 C ATOM 0 H ILE A 55 -0.142 9.688 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.107 9.912 -7.614 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.252 7.683 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.390 7.923 -9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.846 8.644 -9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.132 6.203 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.651 7.399 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.077 7.625 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.532 6.350 -9.898 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.013 6.435 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.580 5.702 -8.613 1.00 0.00 H new ATOM 816 N ASP A 56 -1.660 10.232 -4.788 1.00 0.00 N ATOM 817 CA ASP A 56 -1.929 10.486 -3.343 1.00 0.00 C ATOM 818 C ASP A 56 -3.018 11.551 -3.188 1.00 0.00 C ATOM 819 O ASP A 56 -2.735 12.722 -3.027 1.00 0.00 O ATOM 820 CB ASP A 56 -0.602 10.988 -2.774 1.00 0.00 C ATOM 821 CG ASP A 56 -0.495 10.591 -1.300 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.416 9.960 -0.809 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.506 10.924 -0.689 1.00 0.00 O ATOM 0 H ASP A 56 -0.711 10.444 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.281 9.594 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.230 10.565 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.537 12.071 -2.875 1.00 0.00 H new ATOM 828 N VAL A 57 -4.260 11.154 -3.235 1.00 0.00 N ATOM 829 CA VAL A 57 -5.366 12.144 -3.091 1.00 0.00 C ATOM 830 C VAL A 57 -5.271 12.851 -1.737 1.00 0.00 C ATOM 831 O VAL A 57 -5.618 14.008 -1.605 1.00 0.00 O ATOM 832 CB VAL A 57 -6.648 11.317 -3.175 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.794 10.742 -4.585 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.582 10.171 -2.164 1.00 0.00 C ATOM 0 H VAL A 57 -4.557 10.187 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.329 12.919 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.505 11.953 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.709 10.152 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.840 11.557 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.937 10.107 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.496 9.580 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.725 9.536 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.478 10.578 -1.158 1.00 0.00 H new ATOM 844 N ASP A 58 -4.805 12.165 -0.730 1.00 0.00 N ATOM 845 CA ASP A 58 -4.691 12.799 0.615 1.00 0.00 C ATOM 846 C ASP A 58 -3.274 13.336 0.831 1.00 0.00 C ATOM 847 O ASP A 58 -3.070 14.321 1.513 1.00 0.00 O ATOM 848 CB ASP A 58 -4.995 11.677 1.608 1.00 0.00 C ATOM 849 CG ASP A 58 -4.025 10.517 1.382 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.363 10.515 0.357 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.958 9.650 2.239 1.00 0.00 O ATOM 0 H ASP A 58 -4.498 11.193 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.371 13.643 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.904 12.047 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.022 11.335 1.483 1.00 0.00 H new ATOM 856 N GLY A 59 -2.291 12.697 0.256 1.00 0.00 N ATOM 857 CA GLY A 59 -0.890 13.173 0.432 1.00 0.00 C ATOM 858 C GLY A 59 -0.308 12.589 1.720 1.00 0.00 C ATOM 859 O GLY A 59 0.190 13.304 2.566 1.00 0.00 O ATOM 0 H GLY A 59 -2.398 11.867 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.283 12.873 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.867 14.262 0.472 1.00 0.00 H new ATOM 863 N ASN A 60 -0.370 11.295 1.876 1.00 0.00 N ATOM 864 CA ASN A 60 0.180 10.667 3.111 1.00 0.00 C ATOM 865 C ASN A 60 1.408 9.817 2.772 1.00 0.00 C ATOM 866 O ASN A 60 1.618 8.760 3.332 1.00 0.00 O ATOM 867 CB ASN A 60 -0.951 9.788 3.648 1.00 0.00 C ATOM 868 CG ASN A 60 -1.414 8.823 2.554 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.473 9.184 1.396 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.747 7.604 2.875 1.00 0.00 N ATOM 0 H ASN A 60 -0.777 10.646 1.203 1.00 0.00 H new ATOM 0 HA ASN A 60 0.501 11.409 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.609 9.229 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.784 10.410 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.057 6.953 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.697 7.301 3.848 1.00 0.00 H new ATOM 877 N HIS A 61 2.222 10.274 1.859 1.00 0.00 N ATOM 878 CA HIS A 61 3.437 9.495 1.484 1.00 0.00 C ATOM 879 C HIS A 61 3.039 8.134 0.906 1.00 0.00 C ATOM 880 O HIS A 61 3.851 7.240 0.782 1.00 0.00 O ATOM 881 CB HIS A 61 4.215 9.320 2.789 1.00 0.00 C ATOM 882 CG HIS A 61 4.284 10.638 3.509 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.950 11.835 2.894 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.646 10.966 4.793 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.115 12.816 3.799 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.538 12.341 4.974 1.00 0.00 N ATOM 0 H HIS A 61 2.098 11.153 1.357 1.00 0.00 H new ATOM 0 HA HIS A 61 4.030 9.999 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.729 8.574 3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.220 8.954 2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.966 10.263 5.548 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.928 13.861 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.739 12.872 5.821 1.00 0.00 H new ATOM 894 N GLN A 62 1.794 7.974 0.548 1.00 0.00 N ATOM 895 CA GLN A 62 1.344 6.673 -0.025 1.00 0.00 C ATOM 896 C GLN A 62 -0.071 6.808 -0.589 1.00 0.00 C ATOM 897 O GLN A 62 -0.768 7.766 -0.320 1.00 0.00 O ATOM 898 CB GLN A 62 1.363 5.685 1.142 1.00 0.00 C ATOM 899 CG GLN A 62 0.786 6.351 2.394 1.00 0.00 C ATOM 900 CD GLN A 62 -0.227 5.412 3.051 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.151 5.151 4.235 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.180 4.890 2.329 1.00 0.00 N ATOM 0 H GLN A 62 1.069 8.687 0.627 1.00 0.00 H new ATOM 0 HA GLN A 62 1.985 6.343 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.781 4.798 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.383 5.353 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.587 6.587 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.306 7.293 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.245 5.109 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.860 4.263 2.759 1.00 0.00 H new ATOM 911 N ILE A 63 -0.501 5.858 -1.373 1.00 0.00 N ATOM 912 CA ILE A 63 -1.868 5.937 -1.956 1.00 0.00 C ATOM 913 C ILE A 63 -2.622 4.623 -1.739 1.00 0.00 C ATOM 914 O ILE A 63 -2.031 3.573 -1.583 1.00 0.00 O ATOM 915 CB ILE A 63 -1.643 6.181 -3.449 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.194 4.882 -4.120 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.568 7.252 -3.641 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.418 4.150 -4.674 1.00 0.00 C ATOM 0 H ILE A 63 0.036 5.031 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.466 6.722 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.575 6.520 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.491 5.099 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.672 4.250 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.411 7.423 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.890 8.180 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.364 6.918 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.102 3.223 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.105 3.921 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.921 4.783 -5.405 1.00 0.00 H new ATOM 930 N GLU A 64 -3.925 4.673 -1.747 1.00 0.00 N ATOM 931 CA GLU A 64 -4.723 3.429 -1.561 1.00 0.00 C ATOM 932 C GLU A 64 -5.303 2.996 -2.910 1.00 0.00 C ATOM 933 O GLU A 64 -5.321 3.758 -3.855 1.00 0.00 O ATOM 934 CB GLU A 64 -5.840 3.810 -0.590 1.00 0.00 C ATOM 935 CG GLU A 64 -5.256 4.622 0.568 1.00 0.00 C ATOM 936 CD GLU A 64 -6.284 4.715 1.697 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.450 4.470 1.431 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.889 5.030 2.807 1.00 0.00 O ATOM 0 H GLU A 64 -4.473 5.524 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.129 2.599 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.603 4.392 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.327 2.912 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.343 4.151 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.985 5.621 0.225 1.00 0.00 H new ATOM 945 N PHE A 65 -5.770 1.783 -3.016 1.00 0.00 N ATOM 946 CA PHE A 65 -6.336 1.330 -4.318 1.00 0.00 C ATOM 947 C PHE A 65 -7.245 2.413 -4.904 1.00 0.00 C ATOM 948 O PHE A 65 -6.904 3.060 -5.873 1.00 0.00 O ATOM 949 CB PHE A 65 -7.147 0.077 -4.001 1.00 0.00 C ATOM 950 CG PHE A 65 -7.957 -0.287 -5.218 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.307 -0.619 -6.412 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.355 -0.278 -5.160 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.054 -0.942 -7.549 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.102 -0.603 -6.297 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.452 -0.934 -7.490 1.00 0.00 C ATOM 0 H PHE A 65 -5.785 1.092 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.554 1.130 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.484 -0.744 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.803 0.255 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.228 -0.626 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.856 -0.021 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.553 -1.197 -8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.181 -0.598 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.030 -1.184 -8.367 1.00 0.00 H new ATOM 965 N SER A 66 -8.401 2.604 -4.321 1.00 0.00 N ATOM 966 CA SER A 66 -9.353 3.640 -4.831 1.00 0.00 C ATOM 967 C SER A 66 -8.596 4.861 -5.365 1.00 0.00 C ATOM 968 O SER A 66 -8.949 5.420 -6.386 1.00 0.00 O ATOM 969 CB SER A 66 -10.198 4.026 -3.620 1.00 0.00 C ATOM 970 OG SER A 66 -11.483 4.448 -4.058 1.00 0.00 O ATOM 0 H SER A 66 -8.729 2.083 -3.508 1.00 0.00 H new ATOM 0 HA SER A 66 -9.958 3.265 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.293 3.177 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.711 4.826 -3.062 1.00 0.00 H new ATOM 0 HG SER A 66 -12.028 4.695 -3.282 1.00 0.00 H new ATOM 976 N GLU A 67 -7.554 5.277 -4.696 1.00 0.00 N ATOM 977 CA GLU A 67 -6.783 6.453 -5.189 1.00 0.00 C ATOM 978 C GLU A 67 -6.179 6.124 -6.554 1.00 0.00 C ATOM 979 O GLU A 67 -6.229 6.913 -7.477 1.00 0.00 O ATOM 980 CB GLU A 67 -5.687 6.681 -4.148 1.00 0.00 C ATOM 981 CG GLU A 67 -6.324 6.879 -2.773 1.00 0.00 C ATOM 982 CD GLU A 67 -5.362 7.654 -1.870 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.306 8.033 -2.350 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.699 7.856 -0.715 1.00 0.00 O ATOM 0 H GLU A 67 -7.206 4.856 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.401 7.342 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.008 5.829 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.093 7.555 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.264 7.422 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.559 5.913 -2.327 1.00 0.00 H new ATOM 991 N PHE A 68 -5.623 4.952 -6.689 1.00 0.00 N ATOM 992 CA PHE A 68 -5.033 4.551 -7.995 1.00 0.00 C ATOM 993 C PHE A 68 -6.108 4.631 -9.083 1.00 0.00 C ATOM 994 O PHE A 68 -5.831 4.921 -10.228 1.00 0.00 O ATOM 995 CB PHE A 68 -4.565 3.107 -7.778 1.00 0.00 C ATOM 996 CG PHE A 68 -4.495 2.373 -9.097 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.775 2.917 -10.166 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.149 1.145 -9.246 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.708 2.232 -11.386 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.083 0.461 -10.465 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.363 1.004 -11.535 1.00 0.00 C ATOM 0 H PHE A 68 -5.552 4.254 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.212 5.193 -8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.585 3.103 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.251 2.593 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.271 3.865 -10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.705 0.725 -8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.151 2.651 -12.211 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.588 -0.487 -10.580 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.313 0.476 -12.476 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.338 4.382 -8.722 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.441 4.451 -9.723 1.00 0.00 C ATOM 1013 C LEU A 69 -8.731 5.911 -10.072 1.00 0.00 C ATOM 1014 O LEU A 69 -9.039 6.244 -11.199 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.646 3.817 -9.028 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.626 2.304 -9.244 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.958 1.991 -10.702 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.237 1.758 -8.909 1.00 0.00 C ATOM 0 H LEU A 69 -7.627 4.133 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.194 3.939 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.624 4.042 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.570 4.239 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.366 1.836 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.943 0.912 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.949 2.378 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.219 2.460 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.223 0.679 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.496 2.227 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.001 1.979 -7.868 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.634 6.786 -9.108 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.902 8.228 -9.376 1.00 0.00 C ATOM 1032 C ALA A 70 -7.937 8.754 -10.442 1.00 0.00 C ATOM 1033 O ALA A 70 -8.332 9.424 -11.375 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.658 8.927 -8.038 1.00 0.00 C ATOM 0 H ALA A 70 -8.380 6.564 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.911 8.401 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.834 9.997 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.337 8.523 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.628 8.760 -7.723 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.673 8.457 -10.311 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.685 8.940 -11.317 1.00 0.00 C ATOM 1042 C LEU A 71 -5.642 7.987 -12.515 1.00 0.00 C ATOM 1043 O LEU A 71 -5.659 8.407 -13.655 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.342 8.943 -10.586 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.452 10.047 -11.159 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -4.106 11.409 -10.917 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.086 10.008 -10.468 1.00 0.00 C ATOM 0 H LEU A 71 -6.282 7.901 -9.551 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.939 9.927 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.497 9.103 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.854 7.974 -10.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.324 9.892 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.471 12.195 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.079 11.437 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.234 11.566 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.450 10.794 -10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.215 10.164 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.619 9.038 -10.640 1.00 0.00 H new ATOM 1059 N MET A 72 -5.587 6.708 -12.266 1.00 0.00 N ATOM 1060 CA MET A 72 -5.544 5.730 -13.392 1.00 0.00 C ATOM 1061 C MET A 72 -6.758 5.920 -14.304 1.00 0.00 C ATOM 1062 O MET A 72 -6.635 6.329 -15.442 1.00 0.00 O ATOM 1063 CB MET A 72 -5.584 4.355 -12.726 1.00 0.00 C ATOM 1064 CG MET A 72 -5.435 3.266 -13.790 1.00 0.00 C ATOM 1065 SD MET A 72 -3.830 3.437 -14.607 1.00 0.00 S ATOM 1066 CE MET A 72 -3.431 1.674 -14.694 1.00 0.00 C ATOM 0 H MET A 72 -5.570 6.297 -11.333 1.00 0.00 H new ATOM 0 HA MET A 72 -4.657 5.855 -14.013 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.783 4.272 -11.991 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.524 4.227 -12.189 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.519 2.281 -13.331 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.238 3.346 -14.522 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.014 1.443 -15.674 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.702 1.427 -13.922 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.337 1.088 -14.538 1.00 0.00 H new