USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 Single : A 1 MET CE :methyl 169:sc= -0.0723 (180deg=-0.232) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.1 (180deg=0.0967) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.07 (180deg=-0.479) USER MOD Single : A 4 SER OG : rot 113:sc= 0.698 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 172:sc= -0.237 (180deg=-0.493) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 1.1 (180deg=1.01) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 CYS SG : rot -94:sc= -0.0148 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 57 MET CE :methyl -116:sc= -5.2! (180deg=-6.04!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 61 MET CE :methyl -111:sc= -3.04 (180deg=-6.99!) USER MOD Single : A 64 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.097) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.806 -9.991 -3.821 1.00 0.00 N ATOM 2 CA MET A 1 -5.484 -8.930 -4.800 1.00 0.00 C ATOM 3 C MET A 1 -4.254 -8.156 -4.336 1.00 0.00 C ATOM 4 O MET A 1 -3.983 -8.090 -3.142 1.00 0.00 O ATOM 5 CB MET A 1 -6.688 -7.992 -4.945 1.00 0.00 C ATOM 6 CG MET A 1 -6.552 -6.962 -6.051 1.00 0.00 C ATOM 7 SD MET A 1 -8.047 -5.975 -6.242 1.00 0.00 S ATOM 8 CE MET A 1 -7.611 -4.952 -7.642 1.00 0.00 C ATOM 0 H1 MET A 1 -6.613 -10.548 -4.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.982 -10.614 -3.700 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.049 -9.558 -2.907 1.00 0.00 H new ATOM 0 HA MET A 1 -5.265 -9.377 -5.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.579 -8.591 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.845 -7.473 -3.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.710 -6.305 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.328 -7.467 -6.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.498 -4.430 -8.001 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.858 -4.224 -7.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.211 -5.578 -8.439 1.00 0.00 H new ATOM 20 N LYS A 2 -3.497 -7.594 -5.269 1.00 0.00 N ATOM 21 CA LYS A 2 -2.322 -6.797 -4.914 1.00 0.00 C ATOM 22 C LYS A 2 -2.721 -5.358 -4.647 1.00 0.00 C ATOM 23 O LYS A 2 -3.716 -4.869 -5.182 1.00 0.00 O ATOM 24 CB LYS A 2 -1.269 -6.806 -6.027 1.00 0.00 C ATOM 25 CG LYS A 2 -0.432 -8.076 -6.122 1.00 0.00 C ATOM 26 CD LYS A 2 -1.286 -9.310 -6.373 1.00 0.00 C ATOM 27 CE LYS A 2 -0.440 -10.526 -6.708 1.00 0.00 C ATOM 28 NZ LYS A 2 0.361 -10.317 -7.939 1.00 0.00 N ATOM 0 H LYS A 2 -3.670 -7.672 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.894 -7.247 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.772 -6.650 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.599 -5.959 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.296 -7.970 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.131 -8.208 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.889 -9.520 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.978 -9.112 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.226 -10.746 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.086 -11.394 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.665 -11.237 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.217 -9.826 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.197 -9.741 -7.715 1.00 0.00 H new ATOM 42 N LEU A 3 -1.936 -4.687 -3.823 1.00 0.00 N ATOM 43 CA LEU A 3 -2.110 -3.262 -3.585 1.00 0.00 C ATOM 44 C LEU A 3 -1.820 -2.478 -4.868 1.00 0.00 C ATOM 45 O LEU A 3 -2.436 -1.450 -5.137 1.00 0.00 O ATOM 46 CB LEU A 3 -1.189 -2.829 -2.436 1.00 0.00 C ATOM 47 CG LEU A 3 -1.079 -1.326 -2.171 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.445 -0.678 -2.056 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.292 -1.084 -0.900 1.00 0.00 C ATOM 0 H LEU A 3 -1.166 -5.108 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.140 -3.052 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.536 -3.311 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.189 -3.213 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.562 -0.875 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.327 0.389 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.996 -0.824 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.995 -1.133 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.217 -0.012 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.799 -1.561 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.708 -1.505 -1.006 1.00 0.00 H new ATOM 61 N SER A 4 -0.906 -3.004 -5.671 1.00 0.00 N ATOM 62 CA SER A 4 -0.532 -2.386 -6.937 1.00 0.00 C ATOM 63 C SER A 4 -1.535 -2.710 -8.050 1.00 0.00 C ATOM 64 O SER A 4 -1.377 -2.266 -9.188 1.00 0.00 O ATOM 65 CB SER A 4 0.857 -2.874 -7.325 1.00 0.00 C ATOM 66 OG SER A 4 0.976 -4.259 -7.065 1.00 0.00 O ATOM 0 H SER A 4 -0.404 -3.868 -5.465 1.00 0.00 H new ATOM 0 HA SER A 4 -0.534 -1.303 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.038 -2.678 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.614 -2.325 -6.765 1.00 0.00 H new ATOM 0 HG SER A 4 1.069 -4.744 -7.911 1.00 0.00 H new ATOM 72 N GLU A 5 -2.555 -3.495 -7.724 1.00 0.00 N ATOM 73 CA GLU A 5 -3.593 -3.837 -8.690 1.00 0.00 C ATOM 74 C GLU A 5 -4.710 -2.809 -8.643 1.00 0.00 C ATOM 75 O GLU A 5 -5.439 -2.623 -9.617 1.00 0.00 O ATOM 76 CB GLU A 5 -4.152 -5.226 -8.403 1.00 0.00 C ATOM 77 CG GLU A 5 -3.139 -6.337 -8.583 1.00 0.00 C ATOM 78 CD GLU A 5 -3.003 -6.797 -10.018 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.545 -6.008 -10.870 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.338 -7.970 -10.291 1.00 0.00 O ATOM 0 H GLU A 5 -2.686 -3.906 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.152 -3.837 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.530 -5.252 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.001 -5.410 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.168 -5.995 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.427 -7.186 -7.963 1.00 0.00 H new ATOM 87 N LEU A 6 -4.833 -2.148 -7.498 1.00 0.00 N ATOM 88 CA LEU A 6 -5.838 -1.104 -7.317 1.00 0.00 C ATOM 89 C LEU A 6 -5.592 0.049 -8.280 1.00 0.00 C ATOM 90 O LEU A 6 -4.451 0.334 -8.620 1.00 0.00 O ATOM 91 CB LEU A 6 -5.826 -0.609 -5.873 1.00 0.00 C ATOM 92 CG LEU A 6 -6.309 -1.633 -4.855 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.147 -1.102 -3.440 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.757 -1.986 -5.136 1.00 0.00 C ATOM 0 H LEU A 6 -4.249 -2.316 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.820 -1.524 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.811 -0.307 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.452 0.281 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.703 -2.534 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.498 -1.849 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.095 -0.886 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.731 -0.189 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.101 -2.719 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.371 -1.088 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.841 -2.405 -6.139 1.00 0.00 H new ATOM 106 N LYS A 7 -6.655 0.719 -8.707 1.00 0.00 N ATOM 107 CA LYS A 7 -6.536 1.698 -9.788 1.00 0.00 C ATOM 108 C LYS A 7 -6.998 3.100 -9.378 1.00 0.00 C ATOM 109 O LYS A 7 -7.680 3.780 -10.144 1.00 0.00 O ATOM 110 CB LYS A 7 -7.320 1.223 -11.017 1.00 0.00 C ATOM 111 CG LYS A 7 -8.772 0.881 -10.725 1.00 0.00 C ATOM 112 CD LYS A 7 -9.551 0.604 -12.001 1.00 0.00 C ATOM 113 CE LYS A 7 -9.055 -0.645 -12.712 1.00 0.00 C ATOM 114 NZ LYS A 7 -9.747 -0.852 -14.013 1.00 0.00 N ATOM 0 H LYS A 7 -7.596 0.608 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.476 1.774 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.286 2.000 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.827 0.345 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.817 0.008 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.239 1.705 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.608 0.489 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.466 1.460 -12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.981 -0.565 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.214 -1.514 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.382 -1.713 -14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.769 -0.953 -13.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.575 -0.034 -14.632 1.00 0.00 H new ATOM 128 N ALA A 8 -6.588 3.528 -8.182 1.00 0.00 N ATOM 129 CA ALA A 8 -6.835 4.891 -7.688 1.00 0.00 C ATOM 130 C ALA A 8 -8.315 5.159 -7.407 1.00 0.00 C ATOM 131 O ALA A 8 -9.174 5.020 -8.277 1.00 0.00 O ATOM 132 CB ALA A 8 -6.277 5.924 -8.659 1.00 0.00 C ATOM 0 H ALA A 8 -6.074 2.941 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.313 4.980 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.470 6.926 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.202 5.778 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.759 5.808 -9.630 1.00 0.00 H new ATOM 138 N GLY A 9 -8.600 5.570 -6.180 1.00 0.00 N ATOM 139 CA GLY A 9 -9.971 5.794 -5.767 1.00 0.00 C ATOM 140 C GLY A 9 -10.540 4.585 -5.064 1.00 0.00 C ATOM 141 O GLY A 9 -11.574 4.662 -4.402 1.00 0.00 O ATOM 0 H GLY A 9 -7.902 5.753 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.016 6.657 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.581 6.030 -6.639 1.00 0.00 H new ATOM 145 N ASP A 10 -9.844 3.466 -5.202 1.00 0.00 N ATOM 146 CA ASP A 10 -10.267 2.211 -4.603 1.00 0.00 C ATOM 147 C ASP A 10 -9.906 2.165 -3.129 1.00 0.00 C ATOM 148 O ASP A 10 -8.901 2.738 -2.706 1.00 0.00 O ATOM 149 CB ASP A 10 -9.619 1.026 -5.318 1.00 0.00 C ATOM 150 CG ASP A 10 -10.089 0.883 -6.745 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.263 0.504 -6.952 1.00 0.00 O ATOM 152 OD2 ASP A 10 -9.294 1.165 -7.662 1.00 0.00 O ATOM 0 H ASP A 10 -8.974 3.403 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.350 2.145 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.536 1.147 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.843 0.110 -4.772 1.00 0.00 H new ATOM 157 N ARG A 11 -10.732 1.480 -2.354 1.00 0.00 N ATOM 158 CA ARG A 11 -10.486 1.311 -0.932 1.00 0.00 C ATOM 159 C ARG A 11 -10.248 -0.160 -0.643 1.00 0.00 C ATOM 160 O ARG A 11 -11.046 -1.009 -1.038 1.00 0.00 O ATOM 161 CB ARG A 11 -11.671 1.800 -0.087 1.00 0.00 C ATOM 162 CG ARG A 11 -12.167 3.204 -0.411 1.00 0.00 C ATOM 163 CD ARG A 11 -13.066 3.212 -1.636 1.00 0.00 C ATOM 164 NE ARG A 11 -13.788 4.472 -1.788 1.00 0.00 N ATOM 165 CZ ARG A 11 -14.753 4.666 -2.684 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.046 3.716 -3.569 1.00 0.00 N ATOM 167 NH2 ARG A 11 -15.423 5.810 -2.699 1.00 0.00 N ATOM 0 H ARG A 11 -11.584 1.030 -2.689 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.612 1.906 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.499 1.102 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.384 1.767 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.713 3.604 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.314 3.861 -0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.464 3.032 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.781 2.393 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.539 5.247 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.530 2.836 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.786 3.868 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.199 6.541 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.163 5.959 -3.386 1.00 0.00 H new ATOM 181 N ALA A 12 -9.163 -0.472 0.036 1.00 0.00 N ATOM 182 CA ALA A 12 -8.834 -1.857 0.316 1.00 0.00 C ATOM 183 C ALA A 12 -8.402 -2.034 1.759 1.00 0.00 C ATOM 184 O ALA A 12 -8.109 -1.063 2.457 1.00 0.00 O ATOM 185 CB ALA A 12 -7.742 -2.343 -0.621 1.00 0.00 C ATOM 0 H ALA A 12 -8.497 0.208 0.402 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.731 -2.455 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.507 -3.384 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.085 -2.262 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.849 -1.733 -0.487 1.00 0.00 H new ATOM 191 N GLU A 13 -8.386 -3.278 2.196 1.00 0.00 N ATOM 192 CA GLU A 13 -7.898 -3.627 3.515 1.00 0.00 C ATOM 193 C GLU A 13 -6.741 -4.608 3.372 1.00 0.00 C ATOM 194 O GLU A 13 -6.861 -5.614 2.668 1.00 0.00 O ATOM 195 CB GLU A 13 -9.027 -4.240 4.343 1.00 0.00 C ATOM 196 CG GLU A 13 -8.658 -4.501 5.793 1.00 0.00 C ATOM 197 CD GLU A 13 -9.830 -5.003 6.610 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.630 -4.169 7.080 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.953 -6.234 6.793 1.00 0.00 O ATOM 0 H GLU A 13 -8.711 -4.074 1.647 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.546 -2.733 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.889 -3.574 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.333 -5.179 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.852 -5.233 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.276 -3.582 6.238 1.00 0.00 H new ATOM 206 N VAL A 14 -5.621 -4.299 4.009 1.00 0.00 N ATOM 207 CA VAL A 14 -4.428 -5.136 3.912 1.00 0.00 C ATOM 208 C VAL A 14 -4.622 -6.447 4.666 1.00 0.00 C ATOM 209 O VAL A 14 -4.972 -6.445 5.850 1.00 0.00 O ATOM 210 CB VAL A 14 -3.179 -4.415 4.469 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.939 -5.285 4.315 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.979 -3.077 3.780 1.00 0.00 C ATOM 0 H VAL A 14 -5.511 -3.475 4.600 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.272 -5.342 2.853 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.340 -4.233 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.073 -4.757 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.079 -6.218 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.777 -5.504 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.095 -2.587 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.846 -3.235 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.853 -2.447 3.948 1.00 0.00 H new ATOM 222 N THR A 15 -4.407 -7.557 3.977 1.00 0.00 N ATOM 223 CA THR A 15 -4.492 -8.867 4.599 1.00 0.00 C ATOM 224 C THR A 15 -3.097 -9.401 4.918 1.00 0.00 C ATOM 225 O THR A 15 -2.892 -10.085 5.921 1.00 0.00 O ATOM 226 CB THR A 15 -5.248 -9.865 3.699 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.740 -9.799 2.360 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.743 -9.569 3.691 1.00 0.00 C ATOM 0 H THR A 15 -4.172 -7.575 2.985 1.00 0.00 H new ATOM 0 HA THR A 15 -5.050 -8.757 5.529 1.00 0.00 H new ATOM 0 HB THR A 15 -5.094 -10.867 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.224 -10.437 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.253 -10.287 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.135 -9.647 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.912 -8.561 3.313 1.00 0.00 H new ATOM 236 N SER A 16 -2.132 -9.073 4.067 1.00 0.00 N ATOM 237 CA SER A 16 -0.757 -9.493 4.274 1.00 0.00 C ATOM 238 C SER A 16 0.194 -8.589 3.494 1.00 0.00 C ATOM 239 O SER A 16 -0.156 -8.079 2.428 1.00 0.00 O ATOM 240 CB SER A 16 -0.580 -10.952 3.840 1.00 0.00 C ATOM 241 OG SER A 16 0.703 -11.444 4.192 1.00 0.00 O ATOM 0 H SER A 16 -2.280 -8.516 3.226 1.00 0.00 H new ATOM 0 HA SER A 16 -0.521 -9.413 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.348 -11.568 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.719 -11.032 2.762 1.00 0.00 H new ATOM 0 HG SER A 16 0.786 -12.377 3.904 1.00 0.00 H new ATOM 247 N VAL A 17 1.386 -8.387 4.033 1.00 0.00 N ATOM 248 CA VAL A 17 2.395 -7.561 3.388 1.00 0.00 C ATOM 249 C VAL A 17 3.713 -8.328 3.255 1.00 0.00 C ATOM 250 O VAL A 17 4.368 -8.657 4.248 1.00 0.00 O ATOM 251 CB VAL A 17 2.610 -6.226 4.152 1.00 0.00 C ATOM 252 CG1 VAL A 17 2.868 -6.469 5.634 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.744 -5.421 3.531 1.00 0.00 C ATOM 0 H VAL A 17 1.680 -8.788 4.924 1.00 0.00 H new ATOM 0 HA VAL A 17 2.035 -7.315 2.389 1.00 0.00 H new ATOM 0 HB VAL A 17 1.692 -5.645 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.014 -5.514 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.013 -6.984 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.761 -7.082 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.875 -4.491 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.666 -6.000 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.503 -5.195 2.492 1.00 0.00 H new ATOM 263 N ALA A 18 4.079 -8.647 2.024 1.00 0.00 N ATOM 264 CA ALA A 18 5.294 -9.399 1.762 1.00 0.00 C ATOM 265 C ALA A 18 6.385 -8.497 1.203 1.00 0.00 C ATOM 266 O ALA A 18 6.265 -7.977 0.095 1.00 0.00 O ATOM 267 CB ALA A 18 5.012 -10.550 0.811 1.00 0.00 C ATOM 0 H ALA A 18 3.550 -8.396 1.189 1.00 0.00 H new ATOM 0 HA ALA A 18 5.649 -9.809 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.933 -11.103 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.272 -11.216 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.628 -10.158 -0.131 1.00 0.00 H new ATOM 273 N ALA A 19 7.436 -8.308 1.985 1.00 0.00 N ATOM 274 CA ALA A 19 8.567 -7.489 1.578 1.00 0.00 C ATOM 275 C ALA A 19 9.769 -7.804 2.452 1.00 0.00 C ATOM 276 O ALA A 19 9.647 -8.545 3.431 1.00 0.00 O ATOM 277 CB ALA A 19 8.218 -6.006 1.668 1.00 0.00 C ATOM 0 H ALA A 19 7.529 -8.716 2.915 1.00 0.00 H new ATOM 0 HA ALA A 19 8.811 -7.717 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.077 -5.411 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.373 -5.791 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.954 -5.756 2.696 1.00 0.00 H new ATOM 283 N GLU A 20 10.926 -7.259 2.091 1.00 0.00 N ATOM 284 CA GLU A 20 12.129 -7.404 2.903 1.00 0.00 C ATOM 285 C GLU A 20 11.909 -6.758 4.268 1.00 0.00 C ATOM 286 O GLU A 20 11.165 -5.784 4.373 1.00 0.00 O ATOM 287 CB GLU A 20 13.338 -6.766 2.206 1.00 0.00 C ATOM 288 CG GLU A 20 13.863 -7.550 1.008 1.00 0.00 C ATOM 289 CD GLU A 20 12.845 -7.710 -0.101 1.00 0.00 C ATOM 290 OE1 GLU A 20 12.427 -6.687 -0.681 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.458 -8.861 -0.391 1.00 0.00 O ATOM 0 H GLU A 20 11.056 -6.712 1.240 1.00 0.00 H new ATOM 0 HA GLU A 20 12.334 -8.466 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.064 -5.764 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.143 -6.654 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.744 -7.046 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.183 -8.537 1.342 1.00 0.00 H new ATOM 298 N PRO A 21 12.543 -7.295 5.325 1.00 0.00 N ATOM 299 CA PRO A 21 12.358 -6.831 6.705 1.00 0.00 C ATOM 300 C PRO A 21 12.368 -5.305 6.841 1.00 0.00 C ATOM 301 O PRO A 21 11.434 -4.725 7.397 1.00 0.00 O ATOM 302 CB PRO A 21 13.540 -7.445 7.471 1.00 0.00 C ATOM 303 CG PRO A 21 14.363 -8.185 6.462 1.00 0.00 C ATOM 304 CD PRO A 21 13.487 -8.411 5.262 1.00 0.00 C ATOM 0 HA PRO A 21 11.383 -7.134 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.130 -6.670 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.188 -8.118 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.249 -7.610 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.711 -9.134 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.062 -8.401 4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.977 -9.373 5.311 1.00 0.00 H new ATOM 312 N ALA A 22 13.400 -4.660 6.306 1.00 0.00 N ATOM 313 CA ALA A 22 13.539 -3.210 6.410 1.00 0.00 C ATOM 314 C ALA A 22 12.409 -2.495 5.683 1.00 0.00 C ATOM 315 O ALA A 22 11.832 -1.535 6.197 1.00 0.00 O ATOM 316 CB ALA A 22 14.882 -2.767 5.853 1.00 0.00 C ATOM 0 H ALA A 22 14.154 -5.119 5.795 1.00 0.00 H new ATOM 0 HA ALA A 22 13.486 -2.943 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.971 -1.684 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.685 -3.242 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.955 -3.057 4.805 1.00 0.00 H new ATOM 322 N VAL A 23 12.080 -2.988 4.499 1.00 0.00 N ATOM 323 CA VAL A 23 11.057 -2.374 3.666 1.00 0.00 C ATOM 324 C VAL A 23 9.679 -2.573 4.288 1.00 0.00 C ATOM 325 O VAL A 23 8.884 -1.639 4.382 1.00 0.00 O ATOM 326 CB VAL A 23 11.078 -2.958 2.238 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.957 -2.375 1.390 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.426 -2.706 1.583 1.00 0.00 C ATOM 0 H VAL A 23 12.510 -3.818 4.091 1.00 0.00 H new ATOM 0 HA VAL A 23 11.271 -1.307 3.603 1.00 0.00 H new ATOM 0 HB VAL A 23 10.919 -4.034 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.997 -2.805 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.996 -2.609 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.075 -1.293 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.425 -3.124 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.610 -1.633 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.211 -3.180 2.172 1.00 0.00 H new ATOM 338 N ARG A 24 9.419 -3.797 4.736 1.00 0.00 N ATOM 339 CA ARG A 24 8.155 -4.127 5.376 1.00 0.00 C ATOM 340 C ARG A 24 7.979 -3.301 6.642 1.00 0.00 C ATOM 341 O ARG A 24 6.900 -2.773 6.904 1.00 0.00 O ATOM 342 CB ARG A 24 8.098 -5.615 5.725 1.00 0.00 C ATOM 343 CG ARG A 24 6.719 -6.074 6.178 1.00 0.00 C ATOM 344 CD ARG A 24 6.726 -7.514 6.662 1.00 0.00 C ATOM 345 NE ARG A 24 7.368 -7.663 7.970 1.00 0.00 N ATOM 346 CZ ARG A 24 7.927 -8.796 8.400 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.935 -9.873 7.618 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.464 -8.856 9.615 1.00 0.00 N ATOM 0 H ARG A 24 10.071 -4.578 4.666 1.00 0.00 H new ATOM 0 HA ARG A 24 7.349 -3.898 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.399 -6.197 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.820 -5.824 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.366 -5.425 6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.015 -5.973 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.701 -7.879 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.245 -8.136 5.933 1.00 0.00 H new ATOM 0 HE ARG A 24 7.389 -6.853 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.514 -9.832 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.362 -10.739 7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.449 -8.035 10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.891 -9.723 9.942 1.00 0.00 H new ATOM 362 N ARG A 25 9.053 -3.188 7.416 1.00 0.00 N ATOM 363 CA ARG A 25 9.030 -2.414 8.644 1.00 0.00 C ATOM 364 C ARG A 25 8.651 -0.972 8.361 1.00 0.00 C ATOM 365 O ARG A 25 7.837 -0.405 9.071 1.00 0.00 O ATOM 366 CB ARG A 25 10.381 -2.463 9.362 1.00 0.00 C ATOM 367 CG ARG A 25 10.443 -1.555 10.583 1.00 0.00 C ATOM 368 CD ARG A 25 9.394 -1.936 11.618 1.00 0.00 C ATOM 369 NE ARG A 25 9.112 -0.844 12.545 1.00 0.00 N ATOM 370 CZ ARG A 25 8.695 -1.021 13.799 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.575 -2.247 14.301 1.00 0.00 N ATOM 372 NH2 ARG A 25 8.400 0.031 14.548 1.00 0.00 N ATOM 0 H ARG A 25 9.951 -3.625 7.211 1.00 0.00 H new ATOM 0 HA ARG A 25 8.279 -2.860 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.585 -3.489 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.167 -2.177 8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.435 -1.614 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.293 -0.520 10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.474 -2.226 11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.737 -2.806 12.178 1.00 0.00 H new ATOM 0 HE ARG A 25 9.242 0.112 12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.803 -3.058 13.726 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.256 -2.376 15.261 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.492 0.972 14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.081 -0.100 15.508 1.00 0.00 H new ATOM 386 N ARG A 26 9.236 -0.390 7.323 1.00 0.00 N ATOM 387 CA ARG A 26 8.930 0.987 6.952 1.00 0.00 C ATOM 388 C ARG A 26 7.444 1.152 6.661 1.00 0.00 C ATOM 389 O ARG A 26 6.802 2.065 7.174 1.00 0.00 O ATOM 390 CB ARG A 26 9.756 1.420 5.744 1.00 0.00 C ATOM 391 CG ARG A 26 11.214 1.675 6.073 1.00 0.00 C ATOM 392 CD ARG A 26 11.973 2.201 4.870 1.00 0.00 C ATOM 393 NE ARG A 26 13.242 2.810 5.260 1.00 0.00 N ATOM 394 CZ ARG A 26 13.601 4.046 4.923 1.00 0.00 C ATOM 395 NH1 ARG A 26 12.821 4.773 4.135 1.00 0.00 N ATOM 396 NH2 ARG A 26 14.746 4.550 5.357 1.00 0.00 N ATOM 0 H ARG A 26 9.923 -0.847 6.724 1.00 0.00 H new ATOM 0 HA ARG A 26 9.190 1.626 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.694 0.650 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.322 2.327 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.283 2.393 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.676 0.751 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.160 1.385 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.362 2.936 4.346 1.00 0.00 H new ATOM 0 HE ARG A 26 13.889 2.257 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.945 4.385 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.097 5.720 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.357 3.990 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.017 5.498 5.096 1.00 0.00 H new ATOM 410 N LEU A 27 6.898 0.248 5.859 1.00 0.00 N ATOM 411 CA LEU A 27 5.481 0.277 5.524 1.00 0.00 C ATOM 412 C LEU A 27 4.626 0.125 6.780 1.00 0.00 C ATOM 413 O LEU A 27 3.681 0.886 7.005 1.00 0.00 O ATOM 414 CB LEU A 27 5.152 -0.840 4.526 1.00 0.00 C ATOM 415 CG LEU A 27 5.927 -0.782 3.208 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.600 -1.987 2.343 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.617 0.505 2.462 1.00 0.00 C ATOM 0 H LEU A 27 7.417 -0.517 5.427 1.00 0.00 H new ATOM 0 HA LEU A 27 5.255 1.241 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.347 -1.801 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.085 -0.805 4.304 1.00 0.00 H new ATOM 0 HG LEU A 27 6.993 -0.800 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.161 -1.928 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.872 -2.900 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.532 -1.999 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.177 0.528 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.550 0.552 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.901 1.359 3.076 1.00 0.00 H new ATOM 429 N MET A 28 4.984 -0.846 7.612 1.00 0.00 N ATOM 430 CA MET A 28 4.234 -1.123 8.836 1.00 0.00 C ATOM 431 C MET A 28 4.376 0.017 9.839 1.00 0.00 C ATOM 432 O MET A 28 3.430 0.351 10.551 1.00 0.00 O ATOM 433 CB MET A 28 4.708 -2.436 9.465 1.00 0.00 C ATOM 434 CG MET A 28 4.455 -3.658 8.598 1.00 0.00 C ATOM 435 SD MET A 28 5.123 -5.173 9.316 1.00 0.00 S ATOM 436 CE MET A 28 4.172 -5.277 10.830 1.00 0.00 C ATOM 0 H MET A 28 5.788 -1.456 7.463 1.00 0.00 H new ATOM 0 HA MET A 28 3.181 -1.214 8.570 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.776 -2.364 9.672 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.206 -2.571 10.423 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.382 -3.775 8.447 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.900 -3.500 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.366 -6.233 11.317 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.460 -4.465 11.497 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.110 -5.197 10.599 1.00 0.00 H new ATOM 446 N ASP A 29 5.560 0.618 9.873 1.00 0.00 N ATOM 447 CA ASP A 29 5.862 1.698 10.808 1.00 0.00 C ATOM 448 C ASP A 29 5.098 2.962 10.431 1.00 0.00 C ATOM 449 O ASP A 29 4.724 3.756 11.294 1.00 0.00 O ATOM 450 CB ASP A 29 7.368 1.980 10.814 1.00 0.00 C ATOM 451 CG ASP A 29 7.812 2.818 11.994 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.594 4.045 11.981 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.414 2.252 12.936 1.00 0.00 O ATOM 0 H ASP A 29 6.335 0.373 9.257 1.00 0.00 H new ATOM 0 HA ASP A 29 5.552 1.389 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.908 1.034 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.639 2.492 9.890 1.00 0.00 H new ATOM 458 N LEU A 30 4.874 3.147 9.134 1.00 0.00 N ATOM 459 CA LEU A 30 4.097 4.281 8.656 1.00 0.00 C ATOM 460 C LEU A 30 2.628 4.109 9.023 1.00 0.00 C ATOM 461 O LEU A 30 1.962 5.069 9.417 1.00 0.00 O ATOM 462 CB LEU A 30 4.251 4.443 7.141 1.00 0.00 C ATOM 463 CG LEU A 30 5.655 4.837 6.670 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.722 4.873 5.151 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.051 6.187 7.246 1.00 0.00 C ATOM 0 H LEU A 30 5.218 2.529 8.400 1.00 0.00 H new ATOM 0 HA LEU A 30 4.475 5.183 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.973 3.505 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.544 5.198 6.798 1.00 0.00 H new ATOM 0 HG LEU A 30 6.358 4.085 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.727 5.155 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.481 3.887 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.006 5.603 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.051 6.451 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.341 6.946 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.045 6.134 8.335 1.00 0.00 H new ATOM 477 N GLY A 31 2.130 2.882 8.903 1.00 0.00 N ATOM 478 CA GLY A 31 0.758 2.600 9.274 1.00 0.00 C ATOM 479 C GLY A 31 0.103 1.567 8.379 1.00 0.00 C ATOM 480 O GLY A 31 -1.125 1.481 8.319 1.00 0.00 O ATOM 0 H GLY A 31 2.654 2.079 8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.731 2.248 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.180 3.524 9.237 1.00 0.00 H new ATOM 484 N LEU A 32 0.910 0.784 7.671 1.00 0.00 N ATOM 485 CA LEU A 32 0.383 -0.242 6.783 1.00 0.00 C ATOM 486 C LEU A 32 0.571 -1.623 7.408 1.00 0.00 C ATOM 487 O LEU A 32 1.659 -2.198 7.361 1.00 0.00 O ATOM 488 CB LEU A 32 1.068 -0.154 5.409 1.00 0.00 C ATOM 489 CG LEU A 32 0.375 -0.902 4.262 1.00 0.00 C ATOM 490 CD1 LEU A 32 0.783 -0.304 2.927 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.713 -2.386 4.287 1.00 0.00 C ATOM 0 H LEU A 32 1.928 0.841 7.695 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.685 -0.079 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.151 0.897 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.083 -0.539 5.506 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.702 -0.795 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.286 -0.842 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.494 0.746 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.863 -0.386 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.207 -2.888 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.790 -2.516 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.384 -2.818 5.232 1.00 0.00 H new ATOM 503 N VAL A 33 -0.494 -2.131 8.017 1.00 0.00 N ATOM 504 CA VAL A 33 -0.480 -3.446 8.651 1.00 0.00 C ATOM 505 C VAL A 33 -1.743 -4.215 8.284 1.00 0.00 C ATOM 506 O VAL A 33 -2.588 -3.704 7.550 1.00 0.00 O ATOM 507 CB VAL A 33 -0.383 -3.341 10.191 1.00 0.00 C ATOM 508 CG1 VAL A 33 0.954 -2.757 10.618 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.529 -2.508 10.748 1.00 0.00 C ATOM 0 H VAL A 33 -1.389 -1.646 8.086 1.00 0.00 H new ATOM 0 HA VAL A 33 0.402 -3.973 8.287 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.458 -4.349 10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.993 -2.695 11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.761 -3.397 10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.068 -1.759 10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.441 -2.447 11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.489 -1.505 10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.479 -2.975 10.487 1.00 0.00 H new ATOM 519 N ARG A 34 -1.876 -5.431 8.795 1.00 0.00 N ATOM 520 CA ARG A 34 -3.064 -6.231 8.539 1.00 0.00 C ATOM 521 C ARG A 34 -4.275 -5.610 9.222 1.00 0.00 C ATOM 522 O ARG A 34 -4.247 -5.319 10.416 1.00 0.00 O ATOM 523 CB ARG A 34 -2.869 -7.671 9.022 1.00 0.00 C ATOM 524 CG ARG A 34 -4.129 -8.517 8.915 1.00 0.00 C ATOM 525 CD ARG A 34 -3.899 -9.937 9.396 1.00 0.00 C ATOM 526 NE ARG A 34 -2.969 -10.658 8.535 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.246 -11.701 8.926 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.335 -12.143 10.175 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.432 -12.298 8.064 1.00 0.00 N ATOM 0 H ARG A 34 -1.179 -5.883 9.387 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.234 -6.251 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.075 -8.138 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.536 -7.657 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.925 -8.059 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.467 -8.535 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.510 -9.917 10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.850 -10.468 9.428 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.867 -10.341 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.960 -11.681 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.779 -12.944 10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.364 -11.955 7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.875 -13.099 8.360 1.00 0.00 H new ATOM 543 N GLY A 35 -5.332 -5.396 8.457 1.00 0.00 N ATOM 544 CA GLY A 35 -6.524 -4.786 9.006 1.00 0.00 C ATOM 545 C GLY A 35 -6.545 -3.290 8.783 1.00 0.00 C ATOM 546 O GLY A 35 -7.509 -2.613 9.135 1.00 0.00 O ATOM 0 H GLY A 35 -5.387 -5.633 7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.405 -5.234 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.580 -4.995 10.074 1.00 0.00 H new ATOM 550 N ALA A 36 -5.462 -2.764 8.230 1.00 0.00 N ATOM 551 CA ALA A 36 -5.396 -1.354 7.889 1.00 0.00 C ATOM 552 C ALA A 36 -6.188 -1.084 6.621 1.00 0.00 C ATOM 553 O ALA A 36 -5.998 -1.758 5.604 1.00 0.00 O ATOM 554 CB ALA A 36 -3.955 -0.904 7.727 1.00 0.00 C ATOM 0 H ALA A 36 -4.619 -3.293 8.009 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.837 -0.781 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.931 0.155 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.417 -1.064 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.481 -1.480 6.932 1.00 0.00 H new ATOM 560 N LYS A 37 -7.087 -0.117 6.690 1.00 0.00 N ATOM 561 CA LYS A 37 -7.873 0.275 5.533 1.00 0.00 C ATOM 562 C LYS A 37 -7.199 1.452 4.842 1.00 0.00 C ATOM 563 O LYS A 37 -6.847 2.442 5.492 1.00 0.00 O ATOM 564 CB LYS A 37 -9.293 0.655 5.955 1.00 0.00 C ATOM 565 CG LYS A 37 -9.971 -0.387 6.831 1.00 0.00 C ATOM 566 CD LYS A 37 -11.344 0.079 7.285 1.00 0.00 C ATOM 567 CE LYS A 37 -11.894 -0.792 8.402 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.171 -2.184 7.957 1.00 0.00 N ATOM 0 H LYS A 37 -7.291 0.412 7.538 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.935 -0.565 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.261 1.603 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.897 0.815 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.067 -1.322 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.349 -0.593 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.283 1.112 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.031 0.063 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.181 -0.813 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.812 -0.348 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.727 -2.677 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.707 -2.163 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.273 -2.686 7.809 1.00 0.00 H new ATOM 582 N LEU A 38 -7.001 1.347 3.539 1.00 0.00 N ATOM 583 CA LEU A 38 -6.315 2.389 2.802 1.00 0.00 C ATOM 584 C LEU A 38 -7.025 2.699 1.492 1.00 0.00 C ATOM 585 O LEU A 38 -7.605 1.814 0.856 1.00 0.00 O ATOM 586 CB LEU A 38 -4.855 2.003 2.526 1.00 0.00 C ATOM 587 CG LEU A 38 -4.637 0.795 1.612 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.218 0.800 1.070 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.898 -0.507 2.351 1.00 0.00 C ATOM 0 H LEU A 38 -7.305 0.554 2.974 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.328 3.285 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.351 2.862 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.367 1.803 3.480 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.343 0.868 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.073 -0.064 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.049 1.714 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.512 0.753 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.735 -1.347 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.219 -0.586 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.928 -0.523 2.708 1.00 0.00 H new ATOM 601 N LYS A 39 -6.983 3.964 1.108 1.00 0.00 N ATOM 602 CA LYS A 39 -7.533 4.404 -0.161 1.00 0.00 C ATOM 603 C LYS A 39 -6.403 4.810 -1.098 1.00 0.00 C ATOM 604 O LYS A 39 -5.568 5.648 -0.748 1.00 0.00 O ATOM 605 CB LYS A 39 -8.485 5.589 0.037 1.00 0.00 C ATOM 606 CG LYS A 39 -9.015 6.151 -1.272 1.00 0.00 C ATOM 607 CD LYS A 39 -9.690 7.495 -1.081 1.00 0.00 C ATOM 608 CE LYS A 39 -10.060 8.115 -2.415 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.620 9.482 -2.257 1.00 0.00 N ATOM 0 H LYS A 39 -6.568 4.711 1.665 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.094 3.577 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.324 5.274 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.966 6.378 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.194 6.255 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.725 5.448 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.586 7.372 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.025 8.165 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.177 8.156 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.789 7.481 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.860 9.869 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.477 9.440 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.916 10.095 -1.799 1.00 0.00 H new ATOM 623 N VAL A 40 -6.369 4.214 -2.277 1.00 0.00 N ATOM 624 CA VAL A 40 -5.371 4.571 -3.275 1.00 0.00 C ATOM 625 C VAL A 40 -5.686 5.946 -3.854 1.00 0.00 C ATOM 626 O VAL A 40 -6.803 6.194 -4.302 1.00 0.00 O ATOM 627 CB VAL A 40 -5.317 3.528 -4.409 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.269 3.894 -5.450 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.041 2.152 -3.837 1.00 0.00 C ATOM 0 H VAL A 40 -7.018 3.483 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.397 4.594 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.287 3.517 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.257 3.138 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.511 4.864 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.288 3.942 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.005 1.422 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.085 2.161 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.834 1.882 -3.140 1.00 0.00 H new ATOM 639 N LEU A 41 -4.709 6.840 -3.826 1.00 0.00 N ATOM 640 CA LEU A 41 -4.901 8.195 -4.316 1.00 0.00 C ATOM 641 C LEU A 41 -4.779 8.228 -5.832 1.00 0.00 C ATOM 642 O LEU A 41 -5.746 8.523 -6.533 1.00 0.00 O ATOM 643 CB LEU A 41 -3.881 9.141 -3.676 1.00 0.00 C ATOM 644 CG LEU A 41 -3.916 9.199 -2.143 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.840 10.142 -1.625 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.287 9.643 -1.656 1.00 0.00 C ATOM 0 H LEU A 41 -3.773 6.650 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.902 8.528 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.882 8.838 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.047 10.145 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.720 8.199 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.877 10.173 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.860 9.787 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.011 11.142 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.292 9.678 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.511 10.634 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.042 8.936 -2.000 1.00 0.00 H new ATOM 658 N ARG A 42 -3.596 7.895 -6.335 1.00 0.00 N ATOM 659 CA ARG A 42 -3.361 7.875 -7.771 1.00 0.00 C ATOM 660 C ARG A 42 -2.011 7.238 -8.068 1.00 0.00 C ATOM 661 O ARG A 42 -1.204 7.024 -7.161 1.00 0.00 O ATOM 662 CB ARG A 42 -3.393 9.297 -8.349 1.00 0.00 C ATOM 663 CG ARG A 42 -3.676 9.345 -9.846 1.00 0.00 C ATOM 664 CD ARG A 42 -3.430 10.727 -10.436 1.00 0.00 C ATOM 665 NE ARG A 42 -2.002 11.011 -10.600 1.00 0.00 N ATOM 666 CZ ARG A 42 -1.521 12.014 -11.338 1.00 0.00 C ATOM 667 NH1 ARG A 42 -2.346 12.854 -11.953 1.00 0.00 N ATOM 668 NH2 ARG A 42 -0.211 12.193 -11.445 1.00 0.00 N ATOM 0 H ARG A 42 -2.787 7.636 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.153 7.289 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.155 9.875 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.436 9.780 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.045 8.617 -10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.711 9.054 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.927 10.801 -11.403 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.877 11.482 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.335 10.406 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.355 12.735 -11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.970 13.618 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.431 11.564 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.155 12.960 -12.009 1.00 0.00 H new ATOM 682 N PHE A 43 -1.783 6.927 -9.333 1.00 0.00 N ATOM 683 CA PHE A 43 -0.486 6.454 -9.784 1.00 0.00 C ATOM 684 C PHE A 43 0.339 7.617 -10.301 1.00 0.00 C ATOM 685 O PHE A 43 -0.191 8.700 -10.564 1.00 0.00 O ATOM 686 CB PHE A 43 -0.634 5.440 -10.921 1.00 0.00 C ATOM 687 CG PHE A 43 -1.176 4.106 -10.516 1.00 0.00 C ATOM 688 CD1 PHE A 43 -0.326 3.109 -10.074 1.00 0.00 C ATOM 689 CD2 PHE A 43 -2.532 3.840 -10.598 1.00 0.00 C ATOM 690 CE1 PHE A 43 -0.815 1.869 -9.718 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.027 2.602 -10.246 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.166 1.616 -9.805 1.00 0.00 C ATOM 0 H PHE A 43 -2.485 6.994 -10.070 1.00 0.00 H new ATOM 0 HA PHE A 43 0.004 5.981 -8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.288 5.864 -11.682 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.341 5.293 -11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.734 3.303 -10.007 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.208 4.609 -10.941 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.141 1.099 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.086 2.404 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.552 0.646 -9.528 1.00 0.00 H new ATOM 702 N ALA A 44 1.632 7.392 -10.436 1.00 0.00 N ATOM 703 CA ALA A 44 2.482 8.286 -11.196 1.00 0.00 C ATOM 704 C ALA A 44 2.273 8.002 -12.682 1.00 0.00 C ATOM 705 O ALA A 44 1.678 6.976 -13.026 1.00 0.00 O ATOM 706 CB ALA A 44 3.936 8.099 -10.795 1.00 0.00 C ATOM 0 H ALA A 44 2.118 6.594 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 44 2.221 9.324 -10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.563 8.777 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.051 8.316 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.238 7.070 -10.990 1.00 0.00 H new ATOM 712 N PRO A 45 2.741 8.885 -13.588 1.00 0.00 N ATOM 713 CA PRO A 45 2.519 8.744 -15.042 1.00 0.00 C ATOM 714 C PRO A 45 3.054 7.435 -15.642 1.00 0.00 C ATOM 715 O PRO A 45 2.942 7.210 -16.847 1.00 0.00 O ATOM 716 CB PRO A 45 3.284 9.922 -15.645 1.00 0.00 C ATOM 717 CG PRO A 45 3.442 10.902 -14.541 1.00 0.00 C ATOM 718 CD PRO A 45 3.507 10.104 -13.272 1.00 0.00 C ATOM 0 HA PRO A 45 1.450 8.729 -15.255 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.253 9.605 -16.029 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.737 10.358 -16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.347 11.494 -14.674 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.605 11.600 -14.518 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.536 9.871 -12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.069 10.647 -12.434 1.00 0.00 H new ATOM 726 N LEU A 46 3.615 6.570 -14.808 1.00 0.00 N ATOM 727 CA LEU A 46 4.221 5.333 -15.281 1.00 0.00 C ATOM 728 C LEU A 46 3.759 4.144 -14.442 1.00 0.00 C ATOM 729 O LEU A 46 4.254 3.031 -14.600 1.00 0.00 O ATOM 730 CB LEU A 46 5.750 5.442 -15.222 1.00 0.00 C ATOM 731 CG LEU A 46 6.361 6.580 -16.047 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.855 6.681 -15.787 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.100 6.362 -17.530 1.00 0.00 C ATOM 0 H LEU A 46 3.663 6.703 -13.798 1.00 0.00 H new ATOM 0 HA LEU A 46 3.907 5.173 -16.312 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.048 5.570 -14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.178 4.499 -15.563 1.00 0.00 H new ATOM 0 HG LEU A 46 5.890 7.515 -15.744 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.273 7.494 -16.380 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.028 6.878 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.337 5.744 -16.065 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.541 7.179 -18.101 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.547 5.418 -17.843 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.025 6.332 -17.710 1.00 0.00 H new ATOM 745 N GLY A 47 2.798 4.383 -13.555 1.00 0.00 N ATOM 746 CA GLY A 47 2.311 3.324 -12.687 1.00 0.00 C ATOM 747 C GLY A 47 3.198 3.135 -11.473 1.00 0.00 C ATOM 748 O GLY A 47 2.914 2.317 -10.600 1.00 0.00 O ATOM 0 H GLY A 47 2.348 5.289 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.297 3.558 -12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.259 2.391 -13.247 1.00 0.00 H new ATOM 752 N ASP A 48 4.277 3.897 -11.434 1.00 0.00 N ATOM 753 CA ASP A 48 5.212 3.878 -10.320 1.00 0.00 C ATOM 754 C ASP A 48 5.829 5.258 -10.155 1.00 0.00 C ATOM 755 O ASP A 48 6.245 5.871 -11.142 1.00 0.00 O ATOM 756 CB ASP A 48 6.316 2.840 -10.555 1.00 0.00 C ATOM 757 CG ASP A 48 7.426 2.917 -9.520 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.272 2.331 -8.425 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.460 3.564 -9.796 1.00 0.00 O ATOM 0 H ASP A 48 4.531 4.549 -12.176 1.00 0.00 H new ATOM 0 HA ASP A 48 4.672 3.605 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.879 1.842 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.741 2.986 -11.548 1.00 0.00 H new ATOM 764 N PRO A 49 5.880 5.784 -8.921 1.00 0.00 N ATOM 765 CA PRO A 49 5.356 5.114 -7.727 1.00 0.00 C ATOM 766 C PRO A 49 3.835 5.236 -7.598 1.00 0.00 C ATOM 767 O PRO A 49 3.154 5.707 -8.512 1.00 0.00 O ATOM 768 CB PRO A 49 6.048 5.851 -6.566 1.00 0.00 C ATOM 769 CG PRO A 49 6.992 6.826 -7.193 1.00 0.00 C ATOM 770 CD PRO A 49 6.476 7.074 -8.578 1.00 0.00 C ATOM 0 HA PRO A 49 5.553 4.042 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.318 6.364 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.582 5.151 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.032 7.753 -6.620 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.005 6.425 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.743 7.880 -8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.275 7.350 -9.267 1.00 0.00 H new ATOM 778 N ILE A 50 3.317 4.811 -6.451 1.00 0.00 N ATOM 779 CA ILE A 50 1.883 4.826 -6.186 1.00 0.00 C ATOM 780 C ILE A 50 1.599 5.619 -4.913 1.00 0.00 C ATOM 781 O ILE A 50 2.314 5.489 -3.919 1.00 0.00 O ATOM 782 CB ILE A 50 1.333 3.389 -6.018 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.775 2.509 -7.191 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.188 3.406 -5.911 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.415 1.046 -7.034 1.00 0.00 C ATOM 0 H ILE A 50 3.878 4.447 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 50 1.389 5.295 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 50 1.738 2.971 -5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.322 2.888 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.855 2.596 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.556 2.387 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.485 4.001 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.612 3.843 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.762 0.490 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.890 0.649 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.333 0.945 -6.946 1.00 0.00 H new ATOM 797 N GLU A 51 0.569 6.450 -4.948 1.00 0.00 N ATOM 798 CA GLU A 51 0.191 7.246 -3.789 1.00 0.00 C ATOM 799 C GLU A 51 -1.044 6.661 -3.116 1.00 0.00 C ATOM 800 O GLU A 51 -2.047 6.399 -3.781 1.00 0.00 O ATOM 801 CB GLU A 51 -0.082 8.687 -4.210 1.00 0.00 C ATOM 802 CG GLU A 51 1.123 9.379 -4.819 1.00 0.00 C ATOM 803 CD GLU A 51 0.870 10.845 -5.086 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.675 11.602 -4.111 1.00 0.00 O ATOM 805 OE2 GLU A 51 0.878 11.254 -6.270 1.00 0.00 O ATOM 0 H GLU A 51 -0.022 6.591 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 51 1.016 7.231 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.900 8.698 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.416 9.254 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.976 9.276 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.391 8.883 -5.752 1.00 0.00 H new ATOM 812 N VAL A 52 -0.972 6.453 -1.805 1.00 0.00 N ATOM 813 CA VAL A 52 -2.093 5.890 -1.059 1.00 0.00 C ATOM 814 C VAL A 52 -2.296 6.612 0.274 1.00 0.00 C ATOM 815 O VAL A 52 -1.363 7.199 0.828 1.00 0.00 O ATOM 816 CB VAL A 52 -1.904 4.377 -0.777 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.864 3.578 -2.074 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.647 4.130 0.049 1.00 0.00 C ATOM 0 H VAL A 52 -0.151 6.665 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.972 6.027 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.763 4.036 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.731 2.521 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.799 3.717 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.033 3.924 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.537 3.061 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.224 4.496 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.728 4.656 1.000 1.00 0.00 H new ATOM 828 N ASN A 53 -3.526 6.583 0.765 1.00 0.00 N ATOM 829 CA ASN A 53 -3.836 7.068 2.105 1.00 0.00 C ATOM 830 C ASN A 53 -4.171 5.880 2.995 1.00 0.00 C ATOM 831 O ASN A 53 -5.275 5.338 2.933 1.00 0.00 O ATOM 832 CB ASN A 53 -5.015 8.051 2.073 1.00 0.00 C ATOM 833 CG ASN A 53 -5.400 8.557 3.456 1.00 0.00 C ATOM 834 OD1 ASN A 53 -4.558 8.683 4.343 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.679 8.842 3.653 1.00 0.00 N ATOM 0 H ASN A 53 -4.332 6.226 0.252 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.969 7.597 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.757 8.900 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.876 7.563 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.992 9.178 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.350 8.726 2.894 1.00 0.00 H new ATOM 842 N CYS A 54 -3.210 5.466 3.807 1.00 0.00 N ATOM 843 CA CYS A 54 -3.371 4.280 4.632 1.00 0.00 C ATOM 844 C CYS A 54 -3.573 4.650 6.095 1.00 0.00 C ATOM 845 O CYS A 54 -2.681 5.217 6.727 1.00 0.00 O ATOM 846 CB CYS A 54 -2.148 3.369 4.492 1.00 0.00 C ATOM 847 SG CYS A 54 -2.302 1.781 5.344 1.00 0.00 S ATOM 0 H CYS A 54 -2.310 5.935 3.912 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.259 3.750 4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.967 3.184 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.273 3.892 4.879 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.784 1.874 6.533 1.00 0.00 H new ATOM 853 N ASN A 55 -4.758 4.336 6.616 1.00 0.00 N ATOM 854 CA ASN A 55 -5.069 4.507 8.040 1.00 0.00 C ATOM 855 C ASN A 55 -4.918 5.970 8.476 1.00 0.00 C ATOM 856 O ASN A 55 -4.673 6.264 9.647 1.00 0.00 O ATOM 857 CB ASN A 55 -4.164 3.601 8.885 1.00 0.00 C ATOM 858 CG ASN A 55 -4.833 3.114 10.158 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.686 3.789 10.735 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.446 1.930 10.607 1.00 0.00 N ATOM 0 H ASN A 55 -5.530 3.957 6.067 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.109 4.222 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.862 2.741 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.255 4.144 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.858 1.548 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.736 1.400 10.101 1.00 0.00 H new ATOM 867 N GLY A 56 -5.105 6.887 7.534 1.00 0.00 N ATOM 868 CA GLY A 56 -5.000 8.304 7.839 1.00 0.00 C ATOM 869 C GLY A 56 -3.646 8.898 7.492 1.00 0.00 C ATOM 870 O GLY A 56 -3.455 10.110 7.592 1.00 0.00 O ATOM 0 H GLY A 56 -5.328 6.675 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.775 8.843 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.193 8.455 8.901 1.00 0.00 H new ATOM 874 N MET A 57 -2.708 8.061 7.081 1.00 0.00 N ATOM 875 CA MET A 57 -1.412 8.542 6.626 1.00 0.00 C ATOM 876 C MET A 57 -1.360 8.543 5.111 1.00 0.00 C ATOM 877 O MET A 57 -1.660 7.539 4.476 1.00 0.00 O ATOM 878 CB MET A 57 -0.264 7.693 7.188 1.00 0.00 C ATOM 879 CG MET A 57 0.083 7.994 8.640 1.00 0.00 C ATOM 880 SD MET A 57 -1.189 7.461 9.802 1.00 0.00 S ATOM 881 CE MET A 57 -1.157 5.690 9.547 1.00 0.00 C ATOM 0 H MET A 57 -2.818 7.047 7.053 1.00 0.00 H new ATOM 0 HA MET A 57 -1.287 9.560 6.995 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.530 6.640 7.101 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.623 7.850 6.574 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.023 7.503 8.891 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.243 9.066 8.753 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.115 5.363 9.142 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.361 5.438 8.846 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.976 5.189 10.498 1.00 0.00 H new ATOM 891 N LEU A 58 -1.008 9.678 4.531 1.00 0.00 N ATOM 892 CA LEU A 58 -0.849 9.765 3.089 1.00 0.00 C ATOM 893 C LEU A 58 0.615 9.568 2.727 1.00 0.00 C ATOM 894 O LEU A 58 1.459 10.418 3.021 1.00 0.00 O ATOM 895 CB LEU A 58 -1.358 11.103 2.543 1.00 0.00 C ATOM 896 CG LEU A 58 -2.859 11.356 2.713 1.00 0.00 C ATOM 897 CD1 LEU A 58 -3.171 11.863 4.112 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.355 12.338 1.666 1.00 0.00 C ATOM 0 H LEU A 58 -0.828 10.548 5.033 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.448 8.978 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.813 11.908 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.116 11.158 1.482 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.380 10.409 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.243 12.035 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.856 11.121 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.637 12.797 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.423 12.506 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.823 13.283 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.175 11.931 0.671 1.00 0.00 H new ATOM 910 N LEU A 59 0.915 8.443 2.103 1.00 0.00 N ATOM 911 CA LEU A 59 2.290 8.089 1.796 1.00 0.00 C ATOM 912 C LEU A 59 2.438 7.630 0.352 1.00 0.00 C ATOM 913 O LEU A 59 1.616 6.868 -0.159 1.00 0.00 O ATOM 914 CB LEU A 59 2.807 7.002 2.756 1.00 0.00 C ATOM 915 CG LEU A 59 1.879 5.800 2.989 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.688 4.561 3.341 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.898 6.099 4.113 1.00 0.00 C ATOM 0 H LEU A 59 0.224 7.757 1.798 1.00 0.00 H new ATOM 0 HA LEU A 59 2.894 8.987 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.757 6.631 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.013 7.467 3.720 1.00 0.00 H new ATOM 0 HG LEU A 59 1.326 5.615 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.014 3.720 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.370 4.327 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.261 4.746 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.247 5.238 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.448 6.306 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.295 6.967 3.848 1.00 0.00 H new ATOM 929 N THR A 60 3.478 8.119 -0.303 1.00 0.00 N ATOM 930 CA THR A 60 3.815 7.677 -1.640 1.00 0.00 C ATOM 931 C THR A 60 4.788 6.509 -1.558 1.00 0.00 C ATOM 932 O THR A 60 5.862 6.627 -0.961 1.00 0.00 O ATOM 933 CB THR A 60 4.447 8.811 -2.466 1.00 0.00 C ATOM 934 OG1 THR A 60 3.549 9.930 -2.537 1.00 0.00 O ATOM 935 CG2 THR A 60 4.786 8.323 -3.868 1.00 0.00 C ATOM 0 H THR A 60 4.106 8.828 0.076 1.00 0.00 H new ATOM 0 HA THR A 60 2.895 7.367 -2.136 1.00 0.00 H new ATOM 0 HB THR A 60 5.368 9.126 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.961 10.647 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.232 9.137 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.492 7.495 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.877 7.987 -4.366 1.00 0.00 H new ATOM 943 N MET A 61 4.413 5.394 -2.154 1.00 0.00 N ATOM 944 CA MET A 61 5.192 4.174 -2.049 1.00 0.00 C ATOM 945 C MET A 61 5.517 3.612 -3.421 1.00 0.00 C ATOM 946 O MET A 61 4.911 3.987 -4.419 1.00 0.00 O ATOM 947 CB MET A 61 4.437 3.144 -1.203 1.00 0.00 C ATOM 948 CG MET A 61 2.945 3.110 -1.492 1.00 0.00 C ATOM 949 SD MET A 61 2.059 1.910 -0.484 1.00 0.00 S ATOM 950 CE MET A 61 2.661 0.384 -1.193 1.00 0.00 C ATOM 0 H MET A 61 3.569 5.307 -2.719 1.00 0.00 H new ATOM 0 HA MET A 61 6.137 4.408 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.858 2.155 -1.384 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.591 3.367 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.525 4.101 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.790 2.876 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.852 -0.112 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.476 0.600 -1.884 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.023 -0.269 -0.398 1.00 0.00 H new ATOM 960 N ARG A 62 6.478 2.710 -3.455 1.00 0.00 N ATOM 961 CA ARG A 62 7.001 2.187 -4.703 1.00 0.00 C ATOM 962 C ARG A 62 6.161 1.007 -5.181 1.00 0.00 C ATOM 963 O ARG A 62 5.583 0.279 -4.372 1.00 0.00 O ATOM 964 CB ARG A 62 8.459 1.757 -4.507 1.00 0.00 C ATOM 965 CG ARG A 62 9.295 2.770 -3.734 1.00 0.00 C ATOM 966 CD ARG A 62 9.497 4.055 -4.518 1.00 0.00 C ATOM 967 NE ARG A 62 10.605 3.946 -5.472 1.00 0.00 N ATOM 968 CZ ARG A 62 10.480 4.061 -6.794 1.00 0.00 C ATOM 969 NH1 ARG A 62 9.284 4.253 -7.333 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.551 3.967 -7.573 1.00 0.00 N ATOM 0 H ARG A 62 6.918 2.320 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 62 6.956 2.968 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.480 0.803 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.915 1.592 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.806 2.996 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.265 2.334 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.580 4.301 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.693 4.875 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 62 11.537 3.770 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.459 4.313 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.189 4.341 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.470 3.807 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.455 4.055 -8.585 1.00 0.00 H new ATOM 984 N ARG A 63 6.093 0.822 -6.494 1.00 0.00 N ATOM 985 CA ARG A 63 5.321 -0.270 -7.077 1.00 0.00 C ATOM 986 C ARG A 63 5.812 -1.626 -6.577 1.00 0.00 C ATOM 987 O ARG A 63 5.006 -2.514 -6.300 1.00 0.00 O ATOM 988 CB ARG A 63 5.377 -0.208 -8.607 1.00 0.00 C ATOM 989 CG ARG A 63 4.900 -1.479 -9.294 1.00 0.00 C ATOM 990 CD ARG A 63 4.777 -1.301 -10.800 1.00 0.00 C ATOM 991 NE ARG A 63 4.641 -2.585 -11.490 1.00 0.00 N ATOM 992 CZ ARG A 63 3.589 -3.398 -11.380 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.547 -3.057 -10.631 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.574 -4.549 -12.036 1.00 0.00 N ATOM 0 H ARG A 63 6.564 1.415 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 63 4.285 -0.154 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.768 0.629 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.402 -0.003 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.596 -2.290 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.934 -1.772 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.913 -0.675 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.655 -0.777 -11.177 1.00 0.00 H new ATOM 0 HE ARG A 63 5.405 -2.879 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.546 -2.167 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.747 -3.685 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.366 -4.812 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.771 -5.172 -11.954 1.00 0.00 H new ATOM 1008 N ASN A 64 7.126 -1.773 -6.442 1.00 0.00 N ATOM 1009 CA ASN A 64 7.704 -3.032 -5.978 1.00 0.00 C ATOM 1010 C ASN A 64 7.211 -3.371 -4.572 1.00 0.00 C ATOM 1011 O ASN A 64 7.066 -4.542 -4.220 1.00 0.00 O ATOM 1012 CB ASN A 64 9.241 -2.981 -6.005 1.00 0.00 C ATOM 1013 CG ASN A 64 9.835 -2.041 -4.968 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.088 -2.429 -3.827 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.074 -0.799 -5.358 1.00 0.00 N ATOM 0 H ASN A 64 7.808 -1.042 -6.645 1.00 0.00 H new ATOM 0 HA ASN A 64 7.376 -3.817 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.633 -3.985 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.569 -2.669 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.480 -0.129 -4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.852 -0.512 -6.311 1.00 0.00 H new ATOM 1022 N GLU A 65 6.928 -2.338 -3.784 1.00 0.00 N ATOM 1023 CA GLU A 65 6.437 -2.526 -2.428 1.00 0.00 C ATOM 1024 C GLU A 65 4.976 -2.962 -2.457 1.00 0.00 C ATOM 1025 O GLU A 65 4.580 -3.889 -1.754 1.00 0.00 O ATOM 1026 CB GLU A 65 6.591 -1.234 -1.620 1.00 0.00 C ATOM 1027 CG GLU A 65 8.016 -0.702 -1.593 1.00 0.00 C ATOM 1028 CD GLU A 65 8.151 0.601 -0.827 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.560 1.613 -1.261 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.859 0.621 0.199 1.00 0.00 O ATOM 0 H GLU A 65 7.031 -1.363 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 65 7.027 -3.306 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.935 -0.472 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.259 -1.412 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.668 -1.450 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.361 -0.552 -2.616 1.00 0.00 H new ATOM 1037 N ALA A 66 4.190 -2.307 -3.307 1.00 0.00 N ATOM 1038 CA ALA A 66 2.759 -2.574 -3.408 1.00 0.00 C ATOM 1039 C ALA A 66 2.475 -3.959 -3.989 1.00 0.00 C ATOM 1040 O ALA A 66 1.463 -4.579 -3.660 1.00 0.00 O ATOM 1041 CB ALA A 66 2.096 -1.500 -4.255 1.00 0.00 C ATOM 0 H ALA A 66 4.524 -1.581 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 66 2.343 -2.555 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.027 -1.703 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.250 -0.525 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.535 -1.501 -5.253 1.00 0.00 H new ATOM 1047 N GLU A 67 3.362 -4.429 -4.861 1.00 0.00 N ATOM 1048 CA GLU A 67 3.234 -5.762 -5.454 1.00 0.00 C ATOM 1049 C GLU A 67 3.250 -6.846 -4.382 1.00 0.00 C ATOM 1050 O GLU A 67 2.465 -7.794 -4.435 1.00 0.00 O ATOM 1051 CB GLU A 67 4.364 -6.008 -6.453 1.00 0.00 C ATOM 1052 CG GLU A 67 4.139 -5.368 -7.811 1.00 0.00 C ATOM 1053 CD GLU A 67 3.058 -6.064 -8.610 1.00 0.00 C ATOM 1054 OE1 GLU A 67 3.157 -7.293 -8.800 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.115 -5.387 -9.071 1.00 0.00 O ATOM 0 H GLU A 67 4.180 -3.907 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 67 2.277 -5.806 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.295 -5.627 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.490 -7.083 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.868 -4.321 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.071 -5.385 -8.376 1.00 0.00 H new ATOM 1062 N GLY A 68 4.168 -6.714 -3.433 1.00 0.00 N ATOM 1063 CA GLY A 68 4.261 -7.664 -2.338 1.00 0.00 C ATOM 1064 C GLY A 68 3.073 -7.604 -1.396 1.00 0.00 C ATOM 1065 O GLY A 68 2.809 -8.550 -0.655 1.00 0.00 O ATOM 0 H GLY A 68 4.855 -5.961 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.344 -8.672 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.174 -7.472 -1.775 1.00 0.00 H new ATOM 1069 N ILE A 69 2.355 -6.492 -1.417 1.00 0.00 N ATOM 1070 CA ILE A 69 1.256 -6.287 -0.489 1.00 0.00 C ATOM 1071 C ILE A 69 -0.042 -6.858 -1.042 1.00 0.00 C ATOM 1072 O ILE A 69 -0.467 -6.522 -2.149 1.00 0.00 O ATOM 1073 CB ILE A 69 1.064 -4.795 -0.162 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.361 -4.217 0.400 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.079 -4.606 0.826 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.291 -2.741 0.711 1.00 0.00 C ATOM 0 H ILE A 69 2.513 -5.720 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 69 1.513 -6.814 0.430 1.00 0.00 H new ATOM 0 HB ILE A 69 0.809 -4.263 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.624 -4.757 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.164 -4.389 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.199 -3.545 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.001 -4.994 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.144 -5.143 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.250 -2.406 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.060 -2.188 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.512 -2.562 1.452 1.00 0.00 H new ATOM 1088 N THR A 70 -0.662 -7.727 -0.261 1.00 0.00 N ATOM 1089 CA THR A 70 -1.915 -8.342 -0.641 1.00 0.00 C ATOM 1090 C THR A 70 -3.068 -7.672 0.101 1.00 0.00 C ATOM 1091 O THR A 70 -3.075 -7.605 1.334 1.00 0.00 O ATOM 1092 CB THR A 70 -1.893 -9.849 -0.327 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.681 -10.422 -0.841 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.094 -10.556 -0.939 1.00 0.00 C ATOM 0 H THR A 70 -0.310 -8.023 0.650 1.00 0.00 H new ATOM 0 HA THR A 70 -2.056 -8.213 -1.714 1.00 0.00 H new ATOM 0 HB THR A 70 -1.939 -9.978 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.662 -11.381 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.051 -11.619 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.012 -10.130 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.080 -10.426 -2.021 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.024 -7.158 -0.653 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.164 -6.460 -0.085 1.00 0.00 C ATOM 1104 C VAL A 71 -6.467 -7.039 -0.621 1.00 0.00 C ATOM 1105 O VAL A 71 -6.466 -7.823 -1.573 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.135 -4.948 -0.404 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.872 -4.300 0.139 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.266 -4.707 -1.902 1.00 0.00 C ATOM 0 H VAL A 71 -4.032 -7.212 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.105 -6.594 0.995 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.989 -4.485 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.877 -3.236 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.833 -4.429 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.999 -4.769 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.243 -3.636 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.439 -5.191 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.210 -5.122 -2.256 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.566 -6.658 0.002 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.884 -6.990 -0.505 1.00 0.00 C ATOM 1120 C HIS A 72 -9.735 -5.728 -0.554 1.00 0.00 C ATOM 1121 O HIS A 72 -9.775 -4.965 0.413 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.549 -8.063 0.365 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.956 -8.378 -0.048 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.238 -8.917 -1.277 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.113 -8.173 0.623 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.553 -9.025 -1.330 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.130 -8.587 -0.200 1.00 0.00 N ATOM 0 H HIS A 72 -7.572 -6.115 0.865 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.788 -7.397 -1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.953 -8.975 0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.549 -7.730 1.403 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.216 -7.762 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.097 -9.417 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.129 -8.566 0.006 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.388 -5.502 -1.686 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.190 -4.303 -1.884 1.00 0.00 C ATOM 1137 C ILE A 73 -12.408 -4.291 -0.963 1.00 0.00 C ATOM 1138 O ILE A 73 -13.161 -5.268 -0.890 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.662 -4.177 -3.349 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.462 -4.098 -4.290 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.560 -2.959 -3.525 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.845 -3.936 -5.744 1.00 0.00 C ATOM 0 H ILE A 73 -10.377 -6.137 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.551 -3.454 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.242 -5.066 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.832 -3.260 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.863 -5.002 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.880 -2.890 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.434 -3.056 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.009 -2.058 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.943 -3.887 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.450 -4.787 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.418 -3.017 -5.869 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.600 -3.179 -0.270 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.746 -3.014 0.607 1.00 0.00 C ATOM 1156 C LEU A 74 -14.939 -2.510 -0.193 1.00 0.00 C ATOM 1157 O LEU A 74 -15.260 -1.322 -0.187 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.421 -2.054 1.754 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.304 -2.521 2.690 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.047 -1.484 3.769 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.661 -3.863 3.312 1.00 0.00 C ATOM 0 H LEU A 74 -11.973 -2.375 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.995 -3.982 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.141 -1.089 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.325 -1.895 2.342 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.391 -2.643 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.250 -1.832 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.751 -0.543 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.956 -1.332 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.857 -4.182 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.585 -3.765 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.797 -4.604 2.525 1.00 0.00 H new