USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -144:sc= 0.644 (180deg=-0.764) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 148:sc= -0.0846 (180deg=-0.138) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.112 (180deg=-0.376) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.015) USER MOD Single : A 2 SER OG : rot 100:sc= 0.027 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00763 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.0211 (180deg=0.0211) USER MOD Single : A 19 THR OG1 : rot -88:sc= 1.37 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0.0665 (180deg=0.0238) USER MOD Single : A 32 SER OG : rot 180:sc= -1.23 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.0303 (180deg=-0.147) USER MOD Single : A 56 THR OG1 : rot -50:sc= 0.429 USER MOD Single : A 57 SER OG : rot -170:sc= 0 USER MOD Single : A 61 THR OG1 : rot 170:sc= 0.181 USER MOD Single : A 62 ASN : amide:sc= 0.0273 K(o=0.027,f=-1.1) USER MOD Single : A 68 ASN : amide:sc=-0.00513 X(o=-0.0051,f=-0.26) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-4.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.741 -3.558 -3.684 1.00 2.65 N ATOM 2 CA MET A 1 -22.710 -2.778 -4.422 1.00 2.04 C ATOM 3 C MET A 1 -21.472 -2.581 -3.538 1.00 1.98 C ATOM 4 O MET A 1 -21.467 -1.769 -2.627 1.00 2.66 O ATOM 5 CB MET A 1 -23.289 -1.418 -4.827 1.00 2.66 C ATOM 6 CG MET A 1 -23.927 -1.534 -6.213 1.00 2.68 C ATOM 7 SD MET A 1 -22.688 -1.153 -7.478 1.00 3.52 S ATOM 8 CE MET A 1 -22.589 -2.810 -8.200 1.00 3.74 C ATOM 0 H1 MET A 1 -24.549 -3.746 -4.311 1.00 2.65 H new ATOM 0 H2 MET A 1 -23.332 -4.460 -3.366 1.00 2.65 H new ATOM 0 H3 MET A 1 -24.063 -3.014 -2.858 1.00 2.65 H new ATOM 0 HA MET A 1 -22.418 -3.324 -5.319 1.00 2.04 H new ATOM 0 HB2 MET A 1 -24.032 -1.094 -4.098 1.00 2.66 H new ATOM 0 HB3 MET A 1 -22.503 -0.663 -4.838 1.00 2.66 H new ATOM 0 HG2 MET A 1 -24.318 -2.540 -6.363 1.00 2.68 H new ATOM 0 HG3 MET A 1 -24.770 -0.849 -6.296 1.00 2.68 H new ATOM 0 HE1 MET A 1 -22.199 -2.742 -9.216 1.00 3.74 H new ATOM 0 HE2 MET A 1 -21.925 -3.430 -7.598 1.00 3.74 H new ATOM 0 HE3 MET A 1 -23.583 -3.257 -8.222 1.00 3.74 H new ATOM 20 N SER A 2 -20.421 -3.325 -3.805 1.00 1.44 N ATOM 21 CA SER A 2 -19.167 -3.197 -2.992 1.00 1.40 C ATOM 22 C SER A 2 -18.316 -2.049 -3.542 1.00 1.81 C ATOM 23 O SER A 2 -17.932 -1.153 -2.816 1.00 2.30 O ATOM 24 CB SER A 2 -18.358 -4.497 -3.057 1.00 1.34 C ATOM 25 OG SER A 2 -18.370 -5.007 -4.385 1.00 1.71 O ATOM 0 H SER A 2 -20.379 -4.017 -4.553 1.00 1.44 H new ATOM 0 HA SER A 2 -19.439 -2.995 -1.956 1.00 1.40 H new ATOM 0 HB2 SER A 2 -17.332 -4.314 -2.737 1.00 1.34 H new ATOM 0 HB3 SER A 2 -18.779 -5.233 -2.372 1.00 1.34 H new ATOM 0 HG SER A 2 -17.532 -4.770 -4.834 1.00 1.71 H new ATOM 31 N GLY A 3 -18.018 -2.079 -4.820 1.00 2.15 N ATOM 32 CA GLY A 3 -17.189 -0.998 -5.431 1.00 3.06 C ATOM 33 C GLY A 3 -18.056 -0.157 -6.370 1.00 3.37 C ATOM 34 O GLY A 3 -18.762 -0.684 -7.211 1.00 3.93 O ATOM 0 H GLY A 3 -18.316 -2.810 -5.466 1.00 2.15 H new ATOM 0 HA2 GLY A 3 -16.763 -0.368 -4.651 1.00 3.06 H new ATOM 0 HA3 GLY A 3 -16.354 -1.433 -5.981 1.00 3.06 H new ATOM 38 N GLY A 4 -18.004 1.149 -6.235 1.00 3.14 N ATOM 39 CA GLY A 4 -18.822 2.030 -7.123 1.00 3.50 C ATOM 40 C GLY A 4 -19.203 3.315 -6.382 1.00 3.82 C ATOM 41 O GLY A 4 -18.427 4.250 -6.310 1.00 4.22 O ATOM 0 H GLY A 4 -17.431 1.639 -5.549 1.00 3.14 H new ATOM 0 HA2 GLY A 4 -18.260 2.274 -8.024 1.00 3.50 H new ATOM 0 HA3 GLY A 4 -19.722 1.504 -7.441 1.00 3.50 H new ATOM 45 N THR A 5 -20.397 3.362 -5.839 1.00 3.84 N ATOM 46 CA THR A 5 -20.851 4.581 -5.100 1.00 4.34 C ATOM 47 C THR A 5 -20.699 4.336 -3.594 1.00 4.29 C ATOM 48 O THR A 5 -19.996 5.057 -2.910 1.00 4.63 O ATOM 49 CB THR A 5 -22.321 4.869 -5.444 1.00 4.60 C ATOM 50 OG1 THR A 5 -22.431 5.149 -6.835 1.00 4.69 O ATOM 51 CG2 THR A 5 -22.822 6.076 -4.642 1.00 5.22 C ATOM 0 H THR A 5 -21.079 2.604 -5.877 1.00 3.84 H new ATOM 0 HA THR A 5 -20.246 5.441 -5.389 1.00 4.34 H new ATOM 0 HB THR A 5 -22.925 3.998 -5.192 1.00 4.60 H new ATOM 0 HG1 THR A 5 -23.367 5.332 -7.059 1.00 4.69 H new ATOM 0 HG21 THR A 5 -23.864 6.272 -4.893 1.00 5.22 H new ATOM 0 HG22 THR A 5 -22.739 5.864 -3.576 1.00 5.22 H new ATOM 0 HG23 THR A 5 -22.219 6.951 -4.886 1.00 5.22 H new ATOM 59 N ALA A 6 -21.350 3.316 -3.083 1.00 3.98 N ATOM 60 CA ALA A 6 -21.252 3.002 -1.623 1.00 4.04 C ATOM 61 C ALA A 6 -20.510 1.677 -1.426 1.00 3.66 C ATOM 62 O ALA A 6 -20.614 0.769 -2.234 1.00 3.57 O ATOM 63 CB ALA A 6 -22.658 2.875 -1.032 1.00 4.23 C ATOM 0 H ALA A 6 -21.947 2.686 -3.618 1.00 3.98 H new ATOM 0 HA ALA A 6 -20.709 3.804 -1.123 1.00 4.04 H new ATOM 0 HB1 ALA A 6 -22.586 2.646 0.031 1.00 4.23 H new ATOM 0 HB2 ALA A 6 -23.195 3.814 -1.166 1.00 4.23 H new ATOM 0 HB3 ALA A 6 -23.195 2.074 -1.540 1.00 4.23 H new ATOM 69 N ALA A 7 -19.777 1.556 -0.344 1.00 3.55 N ATOM 70 CA ALA A 7 -19.036 0.287 -0.058 1.00 3.28 C ATOM 71 C ALA A 7 -19.906 -0.616 0.839 1.00 3.34 C ATOM 72 O ALA A 7 -19.404 -1.331 1.690 1.00 3.57 O ATOM 73 CB ALA A 7 -17.717 0.619 0.657 1.00 3.39 C ATOM 0 H ALA A 7 -19.660 2.287 0.357 1.00 3.55 H new ATOM 0 HA ALA A 7 -18.817 -0.234 -0.990 1.00 3.28 H new ATOM 0 HB1 ALA A 7 -17.175 -0.303 0.867 1.00 3.39 H new ATOM 0 HB2 ALA A 7 -17.109 1.260 0.019 1.00 3.39 H new ATOM 0 HB3 ALA A 7 -17.930 1.135 1.593 1.00 3.39 H new ATOM 79 N THR A 8 -21.210 -0.582 0.655 1.00 3.37 N ATOM 80 CA THR A 8 -22.122 -1.425 1.493 1.00 3.60 C ATOM 81 C THR A 8 -22.600 -2.632 0.683 1.00 3.41 C ATOM 82 O THR A 8 -22.941 -2.509 -0.479 1.00 3.34 O ATOM 83 CB THR A 8 -23.352 -0.607 1.938 1.00 4.01 C ATOM 84 OG1 THR A 8 -23.167 0.774 1.643 1.00 4.21 O ATOM 85 CG2 THR A 8 -23.567 -0.782 3.444 1.00 4.96 C ATOM 0 H THR A 8 -21.680 -0.004 -0.042 1.00 3.37 H new ATOM 0 HA THR A 8 -21.571 -1.759 2.372 1.00 3.60 H new ATOM 0 HB THR A 8 -24.226 -0.968 1.396 1.00 4.01 H new ATOM 0 HG1 THR A 8 -23.957 1.278 1.930 1.00 4.21 H new ATOM 0 HG21 THR A 8 -24.436 -0.204 3.757 1.00 4.96 H new ATOM 0 HG22 THR A 8 -23.733 -1.836 3.668 1.00 4.96 H new ATOM 0 HG23 THR A 8 -22.685 -0.431 3.981 1.00 4.96 H new ATOM 93 N THR A 9 -22.636 -3.795 1.302 1.00 3.48 N ATOM 94 CA THR A 9 -23.102 -5.039 0.602 1.00 3.50 C ATOM 95 C THR A 9 -22.028 -5.520 -0.385 1.00 2.86 C ATOM 96 O THR A 9 -21.447 -4.743 -1.123 1.00 2.53 O ATOM 97 CB THR A 9 -24.422 -4.761 -0.139 1.00 3.92 C ATOM 98 OG1 THR A 9 -25.341 -4.127 0.746 1.00 4.49 O ATOM 99 CG2 THR A 9 -25.028 -6.073 -0.643 1.00 4.17 C ATOM 0 H THR A 9 -22.359 -3.934 2.274 1.00 3.48 H new ATOM 0 HA THR A 9 -23.273 -5.821 1.342 1.00 3.50 H new ATOM 0 HB THR A 9 -24.220 -4.109 -0.989 1.00 3.92 H new ATOM 0 HG1 THR A 9 -26.181 -3.949 0.273 1.00 4.49 H new ATOM 0 HG21 THR A 9 -25.962 -5.865 -1.166 1.00 4.17 H new ATOM 0 HG22 THR A 9 -24.330 -6.558 -1.326 1.00 4.17 H new ATOM 0 HG23 THR A 9 -25.225 -6.732 0.203 1.00 4.17 H new ATOM 107 N ALA A 10 -21.761 -6.806 -0.391 1.00 2.83 N ATOM 108 CA ALA A 10 -20.723 -7.370 -1.309 1.00 2.34 C ATOM 109 C ALA A 10 -21.329 -7.600 -2.702 1.00 2.08 C ATOM 110 O ALA A 10 -22.110 -8.514 -2.909 1.00 2.56 O ATOM 111 CB ALA A 10 -20.213 -8.695 -0.729 1.00 2.66 C ATOM 0 H ALA A 10 -22.222 -7.492 0.206 1.00 2.83 H new ATOM 0 HA ALA A 10 -19.892 -6.670 -1.403 1.00 2.34 H new ATOM 0 HB1 ALA A 10 -19.456 -9.114 -1.391 1.00 2.66 H new ATOM 0 HB2 ALA A 10 -19.777 -8.518 0.254 1.00 2.66 H new ATOM 0 HB3 ALA A 10 -21.043 -9.396 -0.637 1.00 2.66 H new ATOM 117 N GLY A 11 -20.973 -6.766 -3.655 1.00 1.44 N ATOM 118 CA GLY A 11 -21.516 -6.906 -5.042 1.00 1.27 C ATOM 119 C GLY A 11 -20.465 -7.539 -5.960 1.00 0.96 C ATOM 120 O GLY A 11 -20.552 -8.706 -6.295 1.00 1.25 O ATOM 0 H GLY A 11 -20.324 -5.989 -3.527 1.00 1.44 H new ATOM 0 HA2 GLY A 11 -22.415 -7.522 -5.028 1.00 1.27 H new ATOM 0 HA3 GLY A 11 -21.805 -5.928 -5.428 1.00 1.27 H new ATOM 124 N SER A 12 -19.479 -6.775 -6.381 1.00 0.68 N ATOM 125 CA SER A 12 -18.428 -7.327 -7.292 1.00 0.82 C ATOM 126 C SER A 12 -17.040 -6.824 -6.869 1.00 0.73 C ATOM 127 O SER A 12 -16.706 -5.665 -7.053 1.00 0.82 O ATOM 128 CB SER A 12 -18.724 -6.883 -8.727 1.00 1.23 C ATOM 129 OG SER A 12 -19.535 -7.861 -9.366 1.00 1.60 O ATOM 0 H SER A 12 -19.360 -5.793 -6.131 1.00 0.68 H new ATOM 0 HA SER A 12 -18.437 -8.415 -7.233 1.00 0.82 H new ATOM 0 HB2 SER A 12 -19.232 -5.919 -8.724 1.00 1.23 H new ATOM 0 HB3 SER A 12 -17.793 -6.750 -9.278 1.00 1.23 H new ATOM 0 HG SER A 12 -19.727 -7.578 -10.284 1.00 1.60 H new ATOM 135 N LYS A 13 -16.231 -7.696 -6.309 1.00 0.71 N ATOM 136 CA LYS A 13 -14.853 -7.297 -5.870 1.00 0.68 C ATOM 137 C LYS A 13 -13.804 -8.126 -6.630 1.00 0.68 C ATOM 138 O LYS A 13 -14.098 -9.187 -7.152 1.00 0.74 O ATOM 139 CB LYS A 13 -14.693 -7.554 -4.365 1.00 0.71 C ATOM 140 CG LYS A 13 -15.744 -6.761 -3.581 1.00 0.76 C ATOM 141 CD LYS A 13 -15.963 -7.419 -2.214 1.00 1.33 C ATOM 142 CE LYS A 13 -16.161 -6.342 -1.142 1.00 1.63 C ATOM 143 NZ LYS A 13 -15.054 -6.417 -0.143 1.00 2.22 N ATOM 0 H LYS A 13 -16.468 -8.673 -6.136 1.00 0.71 H new ATOM 0 HA LYS A 13 -14.709 -6.237 -6.081 1.00 0.68 H new ATOM 0 HB2 LYS A 13 -14.799 -8.619 -4.157 1.00 0.71 H new ATOM 0 HB3 LYS A 13 -13.693 -7.264 -4.043 1.00 0.71 H new ATOM 0 HG2 LYS A 13 -15.416 -5.730 -3.452 1.00 0.76 H new ATOM 0 HG3 LYS A 13 -16.681 -6.730 -4.136 1.00 0.76 H new ATOM 0 HD2 LYS A 13 -16.835 -8.072 -2.251 1.00 1.33 H new ATOM 0 HD3 LYS A 13 -15.107 -8.044 -1.960 1.00 1.33 H new ATOM 0 HE2 LYS A 13 -16.181 -5.355 -1.604 1.00 1.63 H new ATOM 0 HE3 LYS A 13 -17.122 -6.481 -0.646 1.00 1.63 H new ATOM 0 HZ1 LYS A 13 -15.191 -5.685 0.583 1.00 2.22 H new ATOM 0 HZ2 LYS A 13 -15.055 -7.355 0.306 1.00 2.22 H new ATOM 0 HZ3 LYS A 13 -14.144 -6.263 -0.622 1.00 2.22 H new ATOM 157 N VAL A 14 -12.581 -7.649 -6.683 1.00 0.66 N ATOM 158 CA VAL A 14 -11.499 -8.403 -7.395 1.00 0.68 C ATOM 159 C VAL A 14 -10.586 -9.083 -6.361 1.00 0.66 C ATOM 160 O VAL A 14 -10.243 -8.501 -5.345 1.00 0.72 O ATOM 161 CB VAL A 14 -10.676 -7.447 -8.277 1.00 0.68 C ATOM 162 CG1 VAL A 14 -11.569 -6.865 -9.376 1.00 0.73 C ATOM 163 CG2 VAL A 14 -10.108 -6.299 -7.434 1.00 0.68 C ATOM 0 H VAL A 14 -12.286 -6.768 -6.263 1.00 0.66 H new ATOM 0 HA VAL A 14 -11.951 -9.162 -8.034 1.00 0.68 H new ATOM 0 HB VAL A 14 -9.853 -8.006 -8.723 1.00 0.68 H new ATOM 0 HG11 VAL A 14 -10.985 -6.188 -9.999 1.00 0.73 H new ATOM 0 HG12 VAL A 14 -11.964 -7.674 -9.990 1.00 0.73 H new ATOM 0 HG13 VAL A 14 -12.395 -6.318 -8.922 1.00 0.73 H new ATOM 0 HG21 VAL A 14 -9.528 -5.631 -8.072 1.00 0.68 H new ATOM 0 HG22 VAL A 14 -10.927 -5.744 -6.977 1.00 0.68 H new ATOM 0 HG23 VAL A 14 -9.464 -6.705 -6.654 1.00 0.68 H new ATOM 173 N THR A 15 -10.200 -10.315 -6.612 1.00 0.63 N ATOM 174 CA THR A 15 -9.316 -11.051 -5.647 1.00 0.62 C ATOM 175 C THR A 15 -7.858 -10.990 -6.118 1.00 0.57 C ATOM 176 O THR A 15 -7.577 -10.998 -7.303 1.00 0.60 O ATOM 177 CB THR A 15 -9.759 -12.519 -5.552 1.00 0.69 C ATOM 178 OG1 THR A 15 -9.890 -13.067 -6.859 1.00 0.72 O ATOM 179 CG2 THR A 15 -11.101 -12.608 -4.820 1.00 0.83 C ATOM 0 H THR A 15 -10.460 -10.843 -7.445 1.00 0.63 H new ATOM 0 HA THR A 15 -9.397 -10.581 -4.667 1.00 0.62 H new ATOM 0 HB THR A 15 -9.009 -13.084 -4.998 1.00 0.69 H new ATOM 0 HG1 THR A 15 -10.171 -14.004 -6.794 1.00 0.72 H new ATOM 0 HG21 THR A 15 -11.411 -13.651 -4.755 1.00 0.83 H new ATOM 0 HG22 THR A 15 -10.996 -12.197 -3.816 1.00 0.83 H new ATOM 0 HG23 THR A 15 -11.853 -12.039 -5.368 1.00 0.83 H new ATOM 187 N PHE A 16 -6.930 -10.935 -5.190 1.00 0.56 N ATOM 188 CA PHE A 16 -5.483 -10.879 -5.565 1.00 0.54 C ATOM 189 C PHE A 16 -4.700 -11.938 -4.782 1.00 0.52 C ATOM 190 O PHE A 16 -5.001 -12.228 -3.638 1.00 0.58 O ATOM 191 CB PHE A 16 -4.917 -9.493 -5.240 1.00 0.61 C ATOM 192 CG PHE A 16 -5.548 -8.456 -6.140 1.00 0.58 C ATOM 193 CD1 PHE A 16 -5.321 -8.493 -7.521 1.00 0.66 C ATOM 194 CD2 PHE A 16 -6.359 -7.456 -5.590 1.00 0.62 C ATOM 195 CE1 PHE A 16 -5.905 -7.530 -8.352 1.00 0.70 C ATOM 196 CE2 PHE A 16 -6.943 -6.493 -6.422 1.00 0.66 C ATOM 197 CZ PHE A 16 -6.714 -6.531 -7.802 1.00 0.66 C ATOM 0 H PHE A 16 -7.115 -10.927 -4.187 1.00 0.56 H new ATOM 0 HA PHE A 16 -5.388 -11.072 -6.633 1.00 0.54 H new ATOM 0 HB2 PHE A 16 -5.111 -9.247 -4.196 1.00 0.61 H new ATOM 0 HB3 PHE A 16 -3.835 -9.492 -5.372 1.00 0.61 H new ATOM 0 HD1 PHE A 16 -4.695 -9.264 -7.945 1.00 0.66 H new ATOM 0 HD2 PHE A 16 -6.534 -7.427 -4.525 1.00 0.62 H new ATOM 0 HE1 PHE A 16 -5.731 -7.559 -9.417 1.00 0.70 H new ATOM 0 HE2 PHE A 16 -7.570 -5.722 -5.999 1.00 0.66 H new ATOM 0 HZ PHE A 16 -7.163 -5.787 -8.443 1.00 0.66 H new ATOM 207 N LYS A 17 -3.692 -12.508 -5.397 1.00 0.55 N ATOM 208 CA LYS A 17 -2.863 -13.544 -4.710 1.00 0.55 C ATOM 209 C LYS A 17 -1.382 -13.187 -4.884 1.00 0.46 C ATOM 210 O LYS A 17 -0.814 -13.359 -5.947 1.00 0.54 O ATOM 211 CB LYS A 17 -3.147 -14.921 -5.325 1.00 0.64 C ATOM 212 CG LYS A 17 -2.634 -16.019 -4.386 1.00 0.71 C ATOM 213 CD LYS A 17 -1.382 -16.668 -4.983 1.00 0.99 C ATOM 214 CE LYS A 17 -1.776 -17.933 -5.749 1.00 0.99 C ATOM 215 NZ LYS A 17 -0.550 -18.618 -6.248 1.00 1.18 N ATOM 0 H LYS A 17 -3.407 -12.297 -6.353 1.00 0.55 H new ATOM 0 HA LYS A 17 -3.109 -13.575 -3.649 1.00 0.55 H new ATOM 0 HB2 LYS A 17 -4.217 -15.042 -5.492 1.00 0.64 H new ATOM 0 HB3 LYS A 17 -2.661 -15.004 -6.297 1.00 0.64 H new ATOM 0 HG2 LYS A 17 -2.404 -15.596 -3.408 1.00 0.71 H new ATOM 0 HG3 LYS A 17 -3.408 -16.771 -4.234 1.00 0.71 H new ATOM 0 HD2 LYS A 17 -0.880 -15.968 -5.651 1.00 0.99 H new ATOM 0 HD3 LYS A 17 -0.675 -16.915 -4.191 1.00 0.99 H new ATOM 0 HE2 LYS A 17 -2.340 -18.603 -5.100 1.00 0.99 H new ATOM 0 HE3 LYS A 17 -2.427 -17.676 -6.585 1.00 0.99 H new ATOM 0 HZ1 LYS A 17 -0.820 -19.477 -6.768 1.00 1.18 H new ATOM 0 HZ2 LYS A 17 -0.029 -17.979 -6.882 1.00 1.18 H new ATOM 0 HZ3 LYS A 17 0.055 -18.877 -5.443 1.00 1.18 H new ATOM 229 N ILE A 18 -0.762 -12.678 -3.846 1.00 0.46 N ATOM 230 CA ILE A 18 0.680 -12.289 -3.940 1.00 0.43 C ATOM 231 C ILE A 18 1.555 -13.365 -3.284 1.00 0.40 C ATOM 232 O ILE A 18 1.275 -13.831 -2.194 1.00 0.49 O ATOM 233 CB ILE A 18 0.892 -10.943 -3.234 1.00 0.55 C ATOM 234 CG1 ILE A 18 0.000 -9.876 -3.882 1.00 0.61 C ATOM 235 CG2 ILE A 18 2.357 -10.517 -3.362 1.00 0.65 C ATOM 236 CD1 ILE A 18 -1.258 -9.663 -3.034 1.00 0.68 C ATOM 0 H ILE A 18 -1.194 -12.515 -2.936 1.00 0.46 H new ATOM 0 HA ILE A 18 0.962 -12.196 -4.989 1.00 0.43 H new ATOM 0 HB ILE A 18 0.633 -11.048 -2.180 1.00 0.55 H new ATOM 0 HG12 ILE A 18 0.549 -8.939 -3.976 1.00 0.61 H new ATOM 0 HG13 ILE A 18 -0.278 -10.185 -4.890 1.00 0.61 H new ATOM 0 HG21 ILE A 18 2.503 -9.561 -2.859 1.00 0.65 H new ATOM 0 HG22 ILE A 18 2.996 -11.270 -2.902 1.00 0.65 H new ATOM 0 HG23 ILE A 18 2.616 -10.416 -4.416 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -1.887 -8.904 -3.500 1.00 0.68 H new ATOM 0 HD12 ILE A 18 -1.812 -10.599 -2.963 1.00 0.68 H new ATOM 0 HD13 ILE A 18 -0.972 -9.334 -2.035 1.00 0.68 H new ATOM 248 N THR A 19 2.619 -13.753 -3.949 1.00 0.38 N ATOM 249 CA THR A 19 3.539 -14.793 -3.391 1.00 0.43 C ATOM 250 C THR A 19 4.988 -14.313 -3.539 1.00 0.46 C ATOM 251 O THR A 19 5.347 -13.703 -4.530 1.00 0.45 O ATOM 252 CB THR A 19 3.354 -16.108 -4.163 1.00 0.48 C ATOM 253 OG1 THR A 19 1.994 -16.518 -4.080 1.00 0.53 O ATOM 254 CG2 THR A 19 4.251 -17.192 -3.560 1.00 0.67 C ATOM 0 H THR A 19 2.890 -13.389 -4.863 1.00 0.38 H new ATOM 0 HA THR A 19 3.312 -14.958 -2.338 1.00 0.43 H new ATOM 0 HB THR A 19 3.627 -15.955 -5.207 1.00 0.48 H new ATOM 0 HG1 THR A 19 1.867 -17.069 -3.280 1.00 0.53 H new ATOM 0 HG21 THR A 19 4.117 -18.123 -4.110 1.00 0.67 H new ATOM 0 HG22 THR A 19 5.293 -16.879 -3.625 1.00 0.67 H new ATOM 0 HG23 THR A 19 3.983 -17.346 -2.515 1.00 0.67 H new ATOM 262 N LEU A 20 5.823 -14.584 -2.560 1.00 0.61 N ATOM 263 CA LEU A 20 7.253 -14.145 -2.638 1.00 0.68 C ATOM 264 C LEU A 20 7.920 -14.779 -3.867 1.00 0.68 C ATOM 265 O LEU A 20 8.053 -15.987 -3.959 1.00 0.84 O ATOM 266 CB LEU A 20 7.998 -14.575 -1.365 1.00 0.91 C ATOM 267 CG LEU A 20 8.679 -13.363 -0.716 1.00 0.97 C ATOM 268 CD1 LEU A 20 9.631 -12.699 -1.715 1.00 0.93 C ATOM 269 CD2 LEU A 20 7.617 -12.352 -0.271 1.00 1.03 C ATOM 0 H LEU A 20 5.574 -15.091 -1.711 1.00 0.61 H new ATOM 0 HA LEU A 20 7.292 -13.059 -2.726 1.00 0.68 H new ATOM 0 HB2 LEU A 20 7.300 -15.029 -0.662 1.00 0.91 H new ATOM 0 HB3 LEU A 20 8.743 -15.333 -1.609 1.00 0.91 H new ATOM 0 HG LEU A 20 9.248 -13.698 0.151 1.00 0.97 H new ATOM 0 HD11 LEU A 20 10.110 -11.840 -1.245 1.00 0.93 H new ATOM 0 HD12 LEU A 20 10.393 -13.415 -2.023 1.00 0.93 H new ATOM 0 HD13 LEU A 20 9.069 -12.369 -2.589 1.00 0.93 H new ATOM 0 HD21 LEU A 20 8.104 -11.492 0.190 1.00 1.03 H new ATOM 0 HD22 LEU A 20 7.042 -12.023 -1.137 1.00 1.03 H new ATOM 0 HD23 LEU A 20 6.949 -12.821 0.451 1.00 1.03 H new ATOM 281 N THR A 21 8.330 -13.964 -4.812 1.00 0.66 N ATOM 282 CA THR A 21 8.984 -14.498 -6.048 1.00 0.79 C ATOM 283 C THR A 21 10.401 -15.000 -5.723 1.00 0.89 C ATOM 284 O THR A 21 10.876 -15.949 -6.320 1.00 1.09 O ATOM 285 CB THR A 21 9.048 -13.391 -7.116 1.00 0.90 C ATOM 286 OG1 THR A 21 9.497 -13.945 -8.346 1.00 1.07 O ATOM 287 CG2 THR A 21 10.006 -12.280 -6.676 1.00 0.92 C ATOM 0 H THR A 21 8.239 -12.949 -4.779 1.00 0.66 H new ATOM 0 HA THR A 21 8.398 -15.333 -6.431 1.00 0.79 H new ATOM 0 HB THR A 21 8.052 -12.967 -7.244 1.00 0.90 H new ATOM 0 HG1 THR A 21 9.537 -13.241 -9.027 1.00 1.07 H new ATOM 0 HG21 THR A 21 10.040 -11.505 -7.442 1.00 0.92 H new ATOM 0 HG22 THR A 21 9.656 -11.848 -5.738 1.00 0.92 H new ATOM 0 HG23 THR A 21 11.004 -12.695 -6.535 1.00 0.92 H new ATOM 295 N SER A 22 11.076 -14.372 -4.784 1.00 0.91 N ATOM 296 CA SER A 22 12.458 -14.813 -4.422 1.00 1.13 C ATOM 297 C SER A 22 12.392 -16.135 -3.650 1.00 1.37 C ATOM 298 O SER A 22 13.072 -17.087 -3.985 1.00 1.55 O ATOM 299 CB SER A 22 13.131 -13.745 -3.556 1.00 1.28 C ATOM 300 OG SER A 22 14.238 -13.200 -4.263 1.00 1.71 O ATOM 0 H SER A 22 10.726 -13.573 -4.255 1.00 0.91 H new ATOM 0 HA SER A 22 13.039 -14.956 -5.333 1.00 1.13 H new ATOM 0 HB2 SER A 22 12.419 -12.958 -3.309 1.00 1.28 H new ATOM 0 HB3 SER A 22 13.464 -14.180 -2.614 1.00 1.28 H new ATOM 0 HG SER A 22 14.672 -12.514 -3.713 1.00 1.71 H new ATOM 306 N ASP A 23 11.578 -16.198 -2.620 1.00 1.47 N ATOM 307 CA ASP A 23 11.466 -17.457 -1.825 1.00 1.78 C ATOM 308 C ASP A 23 10.121 -17.488 -1.083 1.00 1.79 C ATOM 309 O ASP A 23 9.943 -16.793 -0.100 1.00 1.83 O ATOM 310 CB ASP A 23 12.615 -17.525 -0.810 1.00 2.08 C ATOM 311 CG ASP A 23 12.691 -18.936 -0.216 1.00 2.48 C ATOM 312 OD1 ASP A 23 12.029 -19.175 0.782 1.00 2.75 O ATOM 313 OD2 ASP A 23 13.408 -19.753 -0.771 1.00 2.61 O ATOM 0 H ASP A 23 10.988 -15.430 -2.299 1.00 1.47 H new ATOM 0 HA ASP A 23 11.523 -18.313 -2.498 1.00 1.78 H new ATOM 0 HB2 ASP A 23 13.558 -17.272 -1.295 1.00 2.08 H new ATOM 0 HB3 ASP A 23 12.458 -16.793 -0.017 1.00 2.08 H new ATOM 318 N PRO A 24 9.214 -18.301 -1.580 1.00 1.80 N ATOM 319 CA PRO A 24 7.870 -18.458 -0.988 1.00 1.83 C ATOM 320 C PRO A 24 7.933 -19.346 0.266 1.00 1.97 C ATOM 321 O PRO A 24 8.630 -20.346 0.296 1.00 2.30 O ATOM 322 CB PRO A 24 7.062 -19.131 -2.103 1.00 1.87 C ATOM 323 CG PRO A 24 8.088 -19.824 -3.031 1.00 1.91 C ATOM 324 CD PRO A 24 9.445 -19.138 -2.779 1.00 1.83 C ATOM 0 HA PRO A 24 7.431 -17.515 -0.664 1.00 1.83 H new ATOM 0 HB2 PRO A 24 6.360 -19.856 -1.690 1.00 1.87 H new ATOM 0 HB3 PRO A 24 6.474 -18.397 -2.654 1.00 1.87 H new ATOM 0 HG2 PRO A 24 8.147 -20.891 -2.815 1.00 1.91 H new ATOM 0 HG3 PRO A 24 7.793 -19.727 -4.076 1.00 1.91 H new ATOM 0 HD2 PRO A 24 10.235 -19.869 -2.608 1.00 1.83 H new ATOM 0 HD3 PRO A 24 9.750 -18.534 -3.633 1.00 1.83 H new ATOM 332 N LYS A 25 7.211 -18.977 1.301 1.00 1.80 N ATOM 333 CA LYS A 25 7.219 -19.782 2.563 1.00 1.95 C ATOM 334 C LYS A 25 6.146 -20.876 2.490 1.00 1.76 C ATOM 335 O LYS A 25 6.453 -22.055 2.492 1.00 1.98 O ATOM 336 CB LYS A 25 6.926 -18.862 3.755 1.00 2.02 C ATOM 337 CG LYS A 25 8.231 -18.250 4.269 1.00 2.36 C ATOM 338 CD LYS A 25 8.208 -16.733 4.059 1.00 2.15 C ATOM 339 CE LYS A 25 9.275 -16.340 3.034 1.00 1.91 C ATOM 340 NZ LYS A 25 8.689 -15.410 2.030 1.00 2.04 N ATOM 0 H LYS A 25 6.615 -18.149 1.324 1.00 1.80 H new ATOM 0 HA LYS A 25 8.198 -20.246 2.687 1.00 1.95 H new ATOM 0 HB2 LYS A 25 6.236 -18.073 3.456 1.00 2.02 H new ATOM 0 HB3 LYS A 25 6.440 -19.426 4.551 1.00 2.02 H new ATOM 0 HG2 LYS A 25 8.359 -18.478 5.327 1.00 2.36 H new ATOM 0 HG3 LYS A 25 9.080 -18.687 3.744 1.00 2.36 H new ATOM 0 HD2 LYS A 25 7.223 -16.419 3.713 1.00 2.15 H new ATOM 0 HD3 LYS A 25 8.392 -16.222 5.004 1.00 2.15 H new ATOM 0 HE2 LYS A 25 10.117 -15.864 3.536 1.00 1.91 H new ATOM 0 HE3 LYS A 25 9.661 -17.230 2.537 1.00 1.91 H new ATOM 0 HZ1 LYS A 25 9.101 -15.604 1.095 1.00 2.04 H new ATOM 0 HZ2 LYS A 25 7.659 -15.547 1.989 1.00 2.04 H new ATOM 0 HZ3 LYS A 25 8.897 -14.428 2.303 1.00 2.04 H new ATOM 354 N LEU A 26 4.894 -20.485 2.431 1.00 1.43 N ATOM 355 CA LEU A 26 3.775 -21.480 2.362 1.00 1.34 C ATOM 356 C LEU A 26 2.436 -20.734 2.212 1.00 1.06 C ATOM 357 O LEU A 26 1.727 -20.953 1.248 1.00 1.05 O ATOM 358 CB LEU A 26 3.750 -22.339 3.636 1.00 1.54 C ATOM 359 CG LEU A 26 3.954 -23.815 3.273 1.00 1.79 C ATOM 360 CD1 LEU A 26 4.688 -24.526 4.412 1.00 2.12 C ATOM 361 CD2 LEU A 26 2.591 -24.480 3.055 1.00 1.78 C ATOM 0 H LEU A 26 4.597 -19.509 2.428 1.00 1.43 H new ATOM 0 HA LEU A 26 3.929 -22.132 1.502 1.00 1.34 H new ATOM 0 HB2 LEU A 26 4.532 -22.012 4.321 1.00 1.54 H new ATOM 0 HB3 LEU A 26 2.799 -22.211 4.153 1.00 1.54 H new ATOM 0 HG LEU A 26 4.545 -23.884 2.360 1.00 1.79 H new ATOM 0 HD11 LEU A 26 4.832 -25.575 4.153 1.00 2.12 H new ATOM 0 HD12 LEU A 26 5.658 -24.054 4.570 1.00 2.12 H new ATOM 0 HD13 LEU A 26 4.097 -24.456 5.325 1.00 2.12 H new ATOM 0 HD21 LEU A 26 2.735 -25.529 2.797 1.00 1.78 H new ATOM 0 HD22 LEU A 26 2.001 -24.409 3.969 1.00 1.78 H new ATOM 0 HD23 LEU A 26 2.066 -23.976 2.244 1.00 1.78 H new ATOM 373 N PRO A 27 2.129 -19.866 3.165 1.00 1.08 N ATOM 374 CA PRO A 27 0.882 -19.074 3.141 1.00 1.09 C ATOM 375 C PRO A 27 1.016 -17.905 2.156 1.00 1.00 C ATOM 376 O PRO A 27 1.931 -17.103 2.250 1.00 1.07 O ATOM 377 CB PRO A 27 0.742 -18.571 4.582 1.00 1.41 C ATOM 378 CG PRO A 27 2.159 -18.610 5.197 1.00 1.55 C ATOM 379 CD PRO A 27 2.984 -19.592 4.346 1.00 1.38 C ATOM 0 HA PRO A 27 0.013 -19.647 2.816 1.00 1.09 H new ATOM 0 HB2 PRO A 27 0.337 -17.559 4.603 1.00 1.41 H new ATOM 0 HB3 PRO A 27 0.055 -19.200 5.148 1.00 1.41 H new ATOM 0 HG2 PRO A 27 2.611 -17.618 5.191 1.00 1.55 H new ATOM 0 HG3 PRO A 27 2.121 -18.936 6.236 1.00 1.55 H new ATOM 0 HD2 PRO A 27 3.940 -19.157 4.052 1.00 1.38 H new ATOM 0 HD3 PRO A 27 3.205 -20.506 4.897 1.00 1.38 H new ATOM 387 N PHE A 28 0.113 -17.809 1.209 1.00 0.94 N ATOM 388 CA PHE A 28 0.179 -16.699 0.206 1.00 0.90 C ATOM 389 C PHE A 28 -0.670 -15.516 0.684 1.00 0.82 C ATOM 390 O PHE A 28 -1.642 -15.685 1.400 1.00 0.92 O ATOM 391 CB PHE A 28 -0.350 -17.193 -1.147 1.00 1.03 C ATOM 392 CG PHE A 28 0.387 -18.447 -1.561 1.00 1.06 C ATOM 393 CD1 PHE A 28 1.781 -18.427 -1.712 1.00 1.37 C ATOM 394 CD2 PHE A 28 -0.324 -19.631 -1.792 1.00 1.29 C ATOM 395 CE1 PHE A 28 2.459 -19.589 -2.097 1.00 1.47 C ATOM 396 CE2 PHE A 28 0.355 -20.792 -2.177 1.00 1.39 C ATOM 397 CZ PHE A 28 1.746 -20.771 -2.327 1.00 1.30 C ATOM 0 H PHE A 28 -0.668 -18.453 1.087 1.00 0.94 H new ATOM 0 HA PHE A 28 1.215 -16.379 0.096 1.00 0.90 H new ATOM 0 HB2 PHE A 28 -1.419 -17.395 -1.078 1.00 1.03 H new ATOM 0 HB3 PHE A 28 -0.220 -16.418 -1.903 1.00 1.03 H new ATOM 0 HD1 PHE A 28 2.331 -17.515 -1.531 1.00 1.37 H new ATOM 0 HD2 PHE A 28 -1.397 -19.648 -1.673 1.00 1.29 H new ATOM 0 HE1 PHE A 28 3.532 -19.574 -2.217 1.00 1.47 H new ATOM 0 HE2 PHE A 28 -0.194 -21.704 -2.358 1.00 1.39 H new ATOM 0 HZ PHE A 28 2.270 -21.668 -2.621 1.00 1.30 H new ATOM 407 N LYS A 29 -0.306 -14.318 0.289 1.00 0.72 N ATOM 408 CA LYS A 29 -1.083 -13.114 0.711 1.00 0.66 C ATOM 409 C LYS A 29 -2.286 -12.929 -0.221 1.00 0.61 C ATOM 410 O LYS A 29 -2.164 -12.404 -1.315 1.00 0.56 O ATOM 411 CB LYS A 29 -0.183 -11.873 0.650 1.00 0.64 C ATOM 412 CG LYS A 29 0.157 -11.414 2.071 1.00 0.72 C ATOM 413 CD LYS A 29 1.313 -12.254 2.623 1.00 0.74 C ATOM 414 CE LYS A 29 0.798 -13.178 3.730 1.00 0.83 C ATOM 415 NZ LYS A 29 1.650 -14.399 3.799 1.00 1.13 N ATOM 0 H LYS A 29 0.498 -14.125 -0.309 1.00 0.72 H new ATOM 0 HA LYS A 29 -1.437 -13.250 1.733 1.00 0.66 H new ATOM 0 HB2 LYS A 29 0.731 -12.101 0.102 1.00 0.64 H new ATOM 0 HB3 LYS A 29 -0.687 -11.072 0.109 1.00 0.64 H new ATOM 0 HG2 LYS A 29 0.431 -10.359 2.067 1.00 0.72 H new ATOM 0 HG3 LYS A 29 -0.717 -11.514 2.714 1.00 0.72 H new ATOM 0 HD2 LYS A 29 1.761 -12.844 1.823 1.00 0.74 H new ATOM 0 HD3 LYS A 29 2.094 -11.602 3.014 1.00 0.74 H new ATOM 0 HE2 LYS A 29 0.812 -12.658 4.688 1.00 0.83 H new ATOM 0 HE3 LYS A 29 -0.238 -13.456 3.533 1.00 0.83 H new ATOM 0 HZ1 LYS A 29 1.507 -14.871 4.715 1.00 1.13 H new ATOM 0 HZ2 LYS A 29 1.388 -15.049 3.030 1.00 1.13 H new ATOM 0 HZ3 LYS A 29 2.650 -14.131 3.700 1.00 1.13 H new ATOM 429 N VAL A 30 -3.450 -13.359 0.208 1.00 0.68 N ATOM 430 CA VAL A 30 -4.675 -13.214 -0.639 1.00 0.68 C ATOM 431 C VAL A 30 -5.467 -11.988 -0.163 1.00 0.68 C ATOM 432 O VAL A 30 -5.891 -11.920 0.978 1.00 0.84 O ATOM 433 CB VAL A 30 -5.541 -14.476 -0.520 1.00 0.81 C ATOM 434 CG1 VAL A 30 -6.745 -14.372 -1.463 1.00 0.89 C ATOM 435 CG2 VAL A 30 -4.709 -15.706 -0.900 1.00 0.88 C ATOM 0 H VAL A 30 -3.603 -13.806 1.112 1.00 0.68 H new ATOM 0 HA VAL A 30 -4.389 -13.082 -1.683 1.00 0.68 H new ATOM 0 HB VAL A 30 -5.892 -14.572 0.507 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -7.356 -15.271 -1.374 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -7.342 -13.500 -1.196 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -6.395 -14.272 -2.490 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -5.324 -16.602 -0.815 1.00 0.88 H new ATOM 0 HG22 VAL A 30 -4.356 -15.604 -1.926 1.00 0.88 H new ATOM 0 HG23 VAL A 30 -3.854 -15.788 -0.229 1.00 0.88 H new ATOM 445 N LEU A 31 -5.660 -11.020 -1.029 1.00 0.63 N ATOM 446 CA LEU A 31 -6.413 -9.789 -0.636 1.00 0.66 C ATOM 447 C LEU A 31 -7.658 -9.630 -1.518 1.00 0.62 C ATOM 448 O LEU A 31 -7.565 -9.538 -2.730 1.00 0.66 O ATOM 449 CB LEU A 31 -5.506 -8.564 -0.802 1.00 0.74 C ATOM 450 CG LEU A 31 -4.816 -8.251 0.529 1.00 0.90 C ATOM 451 CD1 LEU A 31 -3.299 -8.247 0.331 1.00 0.99 C ATOM 452 CD2 LEU A 31 -5.270 -6.876 1.027 1.00 1.19 C ATOM 0 H LEU A 31 -5.327 -11.031 -1.993 1.00 0.63 H new ATOM 0 HA LEU A 31 -6.725 -9.876 0.405 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -4.760 -8.753 -1.574 1.00 0.74 H new ATOM 0 HB3 LEU A 31 -6.093 -7.706 -1.129 1.00 0.74 H new ATOM 0 HG LEU A 31 -5.083 -9.011 1.264 1.00 0.90 H new ATOM 0 HD11 LEU A 31 -2.809 -8.024 1.279 1.00 0.99 H new ATOM 0 HD12 LEU A 31 -2.976 -9.226 -0.023 1.00 0.99 H new ATOM 0 HD13 LEU A 31 -3.030 -7.488 -0.404 1.00 0.99 H new ATOM 0 HD21 LEU A 31 -4.780 -6.652 1.974 1.00 1.19 H new ATOM 0 HD22 LEU A 31 -5.003 -6.117 0.292 1.00 1.19 H new ATOM 0 HD23 LEU A 31 -6.351 -6.879 1.170 1.00 1.19 H new ATOM 464 N SER A 32 -8.822 -9.589 -0.910 1.00 0.63 N ATOM 465 CA SER A 32 -10.087 -9.426 -1.690 1.00 0.65 C ATOM 466 C SER A 32 -10.618 -8.000 -1.495 1.00 0.67 C ATOM 467 O SER A 32 -11.130 -7.657 -0.443 1.00 0.75 O ATOM 468 CB SER A 32 -11.127 -10.440 -1.199 1.00 0.72 C ATOM 469 OG SER A 32 -11.898 -10.894 -2.303 1.00 0.95 O ATOM 0 H SER A 32 -8.948 -9.662 0.100 1.00 0.63 H new ATOM 0 HA SER A 32 -9.892 -9.600 -2.748 1.00 0.65 H new ATOM 0 HB2 SER A 32 -10.631 -11.282 -0.716 1.00 0.72 H new ATOM 0 HB3 SER A 32 -11.775 -9.981 -0.452 1.00 0.72 H new ATOM 0 HG SER A 32 -12.563 -11.544 -1.993 1.00 0.95 H new ATOM 475 N VAL A 33 -10.490 -7.168 -2.501 1.00 0.64 N ATOM 476 CA VAL A 33 -10.977 -5.754 -2.390 1.00 0.68 C ATOM 477 C VAL A 33 -11.755 -5.369 -3.659 1.00 0.66 C ATOM 478 O VAL A 33 -11.544 -5.945 -4.711 1.00 0.64 O ATOM 479 CB VAL A 33 -9.781 -4.804 -2.219 1.00 0.70 C ATOM 480 CG1 VAL A 33 -9.159 -4.997 -0.833 1.00 0.90 C ATOM 481 CG2 VAL A 33 -8.726 -5.093 -3.294 1.00 0.73 C ATOM 0 H VAL A 33 -10.068 -7.407 -3.398 1.00 0.64 H new ATOM 0 HA VAL A 33 -11.633 -5.672 -1.524 1.00 0.68 H new ATOM 0 HB VAL A 33 -10.129 -3.776 -2.321 1.00 0.70 H new ATOM 0 HG11 VAL A 33 -8.312 -4.321 -0.717 1.00 0.90 H new ATOM 0 HG12 VAL A 33 -9.903 -4.780 -0.067 1.00 0.90 H new ATOM 0 HG13 VAL A 33 -8.819 -6.027 -0.727 1.00 0.90 H new ATOM 0 HG21 VAL A 33 -7.881 -4.416 -3.166 1.00 0.73 H new ATOM 0 HG22 VAL A 33 -8.383 -6.123 -3.199 1.00 0.73 H new ATOM 0 HG23 VAL A 33 -9.163 -4.946 -4.282 1.00 0.73 H new ATOM 491 N PRO A 34 -12.626 -4.394 -3.520 1.00 0.73 N ATOM 492 CA PRO A 34 -13.451 -3.894 -4.640 1.00 0.77 C ATOM 493 C PRO A 34 -12.613 -3.017 -5.586 1.00 0.69 C ATOM 494 O PRO A 34 -11.524 -2.583 -5.247 1.00 0.66 O ATOM 495 CB PRO A 34 -14.539 -3.068 -3.946 1.00 0.90 C ATOM 496 CG PRO A 34 -13.972 -2.676 -2.563 1.00 0.93 C ATOM 497 CD PRO A 34 -12.869 -3.699 -2.237 1.00 0.84 C ATOM 0 HA PRO A 34 -13.859 -4.694 -5.258 1.00 0.77 H new ATOM 0 HB2 PRO A 34 -14.786 -2.182 -4.530 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -15.457 -3.646 -3.840 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -13.569 -1.664 -2.582 1.00 0.93 H new ATOM 0 HG3 PRO A 34 -14.754 -2.694 -1.804 1.00 0.93 H new ATOM 0 HD2 PRO A 34 -11.966 -3.208 -1.873 1.00 0.84 H new ATOM 0 HD3 PRO A 34 -13.188 -4.395 -1.461 1.00 0.84 H new ATOM 505 N GLU A 35 -13.122 -2.759 -6.769 1.00 0.73 N ATOM 506 CA GLU A 35 -12.379 -1.914 -7.760 1.00 0.72 C ATOM 507 C GLU A 35 -12.052 -0.541 -7.149 1.00 0.72 C ATOM 508 O GLU A 35 -11.022 0.040 -7.441 1.00 0.74 O ATOM 509 CB GLU A 35 -13.245 -1.729 -9.014 1.00 0.81 C ATOM 510 CG GLU A 35 -12.521 -0.835 -10.029 1.00 0.87 C ATOM 511 CD GLU A 35 -13.238 0.517 -10.133 1.00 0.97 C ATOM 512 OE1 GLU A 35 -14.166 0.615 -10.920 1.00 1.06 O ATOM 513 OE2 GLU A 35 -12.844 1.431 -9.426 1.00 1.16 O ATOM 0 H GLU A 35 -14.027 -3.100 -7.092 1.00 0.73 H new ATOM 0 HA GLU A 35 -11.445 -2.410 -8.026 1.00 0.72 H new ATOM 0 HB2 GLU A 35 -13.462 -2.699 -9.462 1.00 0.81 H new ATOM 0 HB3 GLU A 35 -14.201 -1.283 -8.742 1.00 0.81 H new ATOM 0 HG2 GLU A 35 -11.486 -0.686 -9.723 1.00 0.87 H new ATOM 0 HG3 GLU A 35 -12.498 -1.321 -11.004 1.00 0.87 H new ATOM 520 N SER A 36 -12.921 -0.025 -6.305 1.00 0.75 N ATOM 521 CA SER A 36 -12.673 1.309 -5.667 1.00 0.79 C ATOM 522 C SER A 36 -11.306 1.317 -4.967 1.00 0.77 C ATOM 523 O SER A 36 -10.565 2.278 -5.063 1.00 0.81 O ATOM 524 CB SER A 36 -13.771 1.596 -4.637 1.00 0.86 C ATOM 525 OG SER A 36 -14.727 2.485 -5.203 1.00 1.18 O ATOM 0 H SER A 36 -13.795 -0.475 -6.031 1.00 0.75 H new ATOM 0 HA SER A 36 -12.682 2.077 -6.441 1.00 0.79 H new ATOM 0 HB2 SER A 36 -14.255 0.667 -4.336 1.00 0.86 H new ATOM 0 HB3 SER A 36 -13.337 2.035 -3.739 1.00 0.86 H new ATOM 0 HG SER A 36 -15.431 2.669 -4.547 1.00 1.18 H new ATOM 531 N THR A 37 -10.968 0.253 -4.270 1.00 0.73 N ATOM 532 CA THR A 37 -9.646 0.195 -3.567 1.00 0.71 C ATOM 533 C THR A 37 -8.519 0.132 -4.613 1.00 0.67 C ATOM 534 O THR A 37 -8.525 -0.732 -5.470 1.00 0.66 O ATOM 535 CB THR A 37 -9.598 -1.049 -2.666 1.00 0.71 C ATOM 536 OG1 THR A 37 -10.532 -0.894 -1.606 1.00 0.80 O ATOM 537 CG2 THR A 37 -8.192 -1.221 -2.082 1.00 0.73 C ATOM 0 H THR A 37 -11.552 -0.576 -4.159 1.00 0.73 H new ATOM 0 HA THR A 37 -9.516 1.084 -2.951 1.00 0.71 H new ATOM 0 HB THR A 37 -9.849 -1.930 -3.257 1.00 0.71 H new ATOM 0 HG1 THR A 37 -10.507 -1.686 -1.029 1.00 0.80 H new ATOM 0 HG21 THR A 37 -8.168 -2.105 -1.445 1.00 0.73 H new ATOM 0 HG22 THR A 37 -7.473 -1.339 -2.893 1.00 0.73 H new ATOM 0 HG23 THR A 37 -7.933 -0.342 -1.492 1.00 0.73 H new ATOM 545 N PRO A 38 -7.591 1.061 -4.514 1.00 0.68 N ATOM 546 CA PRO A 38 -6.446 1.154 -5.445 1.00 0.67 C ATOM 547 C PRO A 38 -5.350 0.131 -5.098 1.00 0.62 C ATOM 548 O PRO A 38 -5.321 -0.435 -4.012 1.00 0.62 O ATOM 549 CB PRO A 38 -5.933 2.582 -5.238 1.00 0.73 C ATOM 550 CG PRO A 38 -6.420 3.025 -3.837 1.00 0.76 C ATOM 551 CD PRO A 38 -7.601 2.108 -3.468 1.00 0.73 C ATOM 0 HA PRO A 38 -6.730 0.941 -6.476 1.00 0.67 H new ATOM 0 HB2 PRO A 38 -4.845 2.616 -5.299 1.00 0.73 H new ATOM 0 HB3 PRO A 38 -6.317 3.248 -6.011 1.00 0.73 H new ATOM 0 HG2 PRO A 38 -5.619 2.938 -3.103 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -6.730 4.070 -3.848 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -7.476 1.679 -2.474 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -8.543 2.656 -3.462 1.00 0.73 H new ATOM 559 N PHE A 39 -4.436 -0.092 -6.017 1.00 0.61 N ATOM 560 CA PHE A 39 -3.324 -1.058 -5.764 1.00 0.56 C ATOM 561 C PHE A 39 -2.403 -0.517 -4.658 1.00 0.54 C ATOM 562 O PHE A 39 -1.637 -1.258 -4.076 1.00 0.53 O ATOM 563 CB PHE A 39 -2.520 -1.269 -7.053 1.00 0.55 C ATOM 564 CG PHE A 39 -1.898 -2.647 -7.049 1.00 0.52 C ATOM 565 CD1 PHE A 39 -2.709 -3.784 -6.928 1.00 0.59 C ATOM 566 CD2 PHE A 39 -0.510 -2.789 -7.169 1.00 0.56 C ATOM 567 CE1 PHE A 39 -2.132 -5.060 -6.929 1.00 0.60 C ATOM 568 CE2 PHE A 39 0.066 -4.065 -7.169 1.00 0.60 C ATOM 569 CZ PHE A 39 -0.745 -5.199 -7.049 1.00 0.58 C ATOM 0 H PHE A 39 -4.416 0.357 -6.933 1.00 0.61 H new ATOM 0 HA PHE A 39 -3.744 -2.011 -5.442 1.00 0.56 H new ATOM 0 HB2 PHE A 39 -3.170 -1.156 -7.921 1.00 0.55 H new ATOM 0 HB3 PHE A 39 -1.743 -0.509 -7.136 1.00 0.55 H new ATOM 0 HD1 PHE A 39 -3.779 -3.676 -6.834 1.00 0.59 H new ATOM 0 HD2 PHE A 39 0.116 -1.914 -7.262 1.00 0.56 H new ATOM 0 HE1 PHE A 39 -2.757 -5.936 -6.837 1.00 0.60 H new ATOM 0 HE2 PHE A 39 1.136 -4.174 -7.262 1.00 0.60 H new ATOM 0 HZ PHE A 39 -0.300 -6.183 -7.049 1.00 0.58 H new ATOM 579 N THR A 40 -2.486 0.764 -4.350 1.00 0.55 N ATOM 580 CA THR A 40 -1.630 1.342 -3.266 1.00 0.54 C ATOM 581 C THR A 40 -1.967 0.641 -1.943 1.00 0.54 C ATOM 582 O THR A 40 -1.087 0.261 -1.191 1.00 0.54 O ATOM 583 CB THR A 40 -1.902 2.849 -3.128 1.00 0.58 C ATOM 584 OG1 THR A 40 -3.303 3.077 -3.019 1.00 0.61 O ATOM 585 CG2 THR A 40 -1.362 3.585 -4.353 1.00 0.65 C ATOM 0 H THR A 40 -3.111 1.429 -4.806 1.00 0.55 H new ATOM 0 HA THR A 40 -0.579 1.193 -3.513 1.00 0.54 H new ATOM 0 HB THR A 40 -1.404 3.221 -2.233 1.00 0.58 H new ATOM 0 HG1 THR A 40 -3.472 4.038 -2.930 1.00 0.61 H new ATOM 0 HG21 THR A 40 -1.557 4.653 -4.251 1.00 0.65 H new ATOM 0 HG22 THR A 40 -0.288 3.418 -4.433 1.00 0.65 H new ATOM 0 HG23 THR A 40 -1.856 3.210 -5.250 1.00 0.65 H new ATOM 593 N ALA A 41 -3.241 0.459 -1.668 1.00 0.56 N ATOM 594 CA ALA A 41 -3.661 -0.228 -0.410 1.00 0.58 C ATOM 595 C ALA A 41 -3.446 -1.739 -0.563 1.00 0.56 C ATOM 596 O ALA A 41 -3.031 -2.406 0.369 1.00 0.56 O ATOM 597 CB ALA A 41 -5.142 0.052 -0.142 1.00 0.64 C ATOM 0 H ALA A 41 -4.009 0.761 -2.268 1.00 0.56 H new ATOM 0 HA ALA A 41 -3.067 0.144 0.424 1.00 0.58 H new ATOM 0 HB1 ALA A 41 -5.447 -0.450 0.776 1.00 0.64 H new ATOM 0 HB2 ALA A 41 -5.296 1.126 -0.037 1.00 0.64 H new ATOM 0 HB3 ALA A 41 -5.739 -0.320 -0.974 1.00 0.64 H new ATOM 603 N VAL A 42 -3.720 -2.279 -1.734 1.00 0.55 N ATOM 604 CA VAL A 42 -3.525 -3.750 -1.955 1.00 0.55 C ATOM 605 C VAL A 42 -2.042 -4.107 -1.755 1.00 0.51 C ATOM 606 O VAL A 42 -1.714 -5.077 -1.095 1.00 0.54 O ATOM 607 CB VAL A 42 -3.955 -4.119 -3.383 1.00 0.58 C ATOM 608 CG1 VAL A 42 -3.732 -5.615 -3.621 1.00 0.64 C ATOM 609 CG2 VAL A 42 -5.440 -3.796 -3.572 1.00 0.65 C ATOM 0 H VAL A 42 -4.069 -1.764 -2.542 1.00 0.55 H new ATOM 0 HA VAL A 42 -4.132 -4.307 -1.241 1.00 0.55 H new ATOM 0 HB VAL A 42 -3.361 -3.545 -4.094 1.00 0.58 H new ATOM 0 HG11 VAL A 42 -4.038 -5.872 -4.635 1.00 0.64 H new ATOM 0 HG12 VAL A 42 -2.676 -5.851 -3.490 1.00 0.64 H new ATOM 0 HG13 VAL A 42 -4.323 -6.189 -2.907 1.00 0.64 H new ATOM 0 HG21 VAL A 42 -5.743 -4.058 -4.586 1.00 0.65 H new ATOM 0 HG22 VAL A 42 -6.031 -4.368 -2.857 1.00 0.65 H new ATOM 0 HG23 VAL A 42 -5.604 -2.731 -3.408 1.00 0.65 H new ATOM 619 N LEU A 43 -1.152 -3.320 -2.316 1.00 0.49 N ATOM 620 CA LEU A 43 0.315 -3.585 -2.171 1.00 0.47 C ATOM 621 C LEU A 43 0.748 -3.336 -0.719 1.00 0.47 C ATOM 622 O LEU A 43 1.594 -4.035 -0.193 1.00 0.47 O ATOM 623 CB LEU A 43 1.093 -2.650 -3.103 1.00 0.50 C ATOM 624 CG LEU A 43 2.530 -3.156 -3.265 1.00 0.59 C ATOM 625 CD1 LEU A 43 2.921 -3.123 -4.746 1.00 0.64 C ATOM 626 CD2 LEU A 43 3.483 -2.259 -2.467 1.00 0.73 C ATOM 0 H LEU A 43 -1.383 -2.498 -2.873 1.00 0.49 H new ATOM 0 HA LEU A 43 0.522 -4.622 -2.434 1.00 0.47 H new ATOM 0 HB2 LEU A 43 0.603 -2.601 -4.076 1.00 0.50 H new ATOM 0 HB3 LEU A 43 1.098 -1.638 -2.697 1.00 0.50 H new ATOM 0 HG LEU A 43 2.597 -4.179 -2.894 1.00 0.59 H new ATOM 0 HD11 LEU A 43 3.943 -3.483 -4.860 1.00 0.64 H new ATOM 0 HD12 LEU A 43 2.245 -3.762 -5.315 1.00 0.64 H new ATOM 0 HD13 LEU A 43 2.853 -2.101 -5.118 1.00 0.64 H new ATOM 0 HD21 LEU A 43 4.505 -2.620 -2.583 1.00 0.73 H new ATOM 0 HD22 LEU A 43 3.415 -1.236 -2.837 1.00 0.73 H new ATOM 0 HD23 LEU A 43 3.207 -2.282 -1.413 1.00 0.73 H new ATOM 638 N LYS A 44 0.173 -2.344 -0.076 1.00 0.53 N ATOM 639 CA LYS A 44 0.541 -2.036 1.343 1.00 0.55 C ATOM 640 C LYS A 44 0.230 -3.245 2.235 1.00 0.53 C ATOM 641 O LYS A 44 1.020 -3.611 3.086 1.00 0.55 O ATOM 642 CB LYS A 44 -0.263 -0.825 1.830 1.00 0.64 C ATOM 643 CG LYS A 44 0.661 0.390 1.942 1.00 0.78 C ATOM 644 CD LYS A 44 -0.166 1.677 1.865 1.00 0.82 C ATOM 645 CE LYS A 44 0.476 2.636 0.857 1.00 1.08 C ATOM 646 NZ LYS A 44 -0.569 3.525 0.276 1.00 1.53 N ATOM 0 H LYS A 44 -0.538 -1.733 -0.477 1.00 0.53 H new ATOM 0 HA LYS A 44 1.607 -1.813 1.396 1.00 0.55 H new ATOM 0 HB2 LYS A 44 -1.077 -0.613 1.137 1.00 0.64 H new ATOM 0 HB3 LYS A 44 -0.716 -1.041 2.798 1.00 0.64 H new ATOM 0 HG2 LYS A 44 1.211 0.355 2.883 1.00 0.78 H new ATOM 0 HG3 LYS A 44 1.399 0.372 1.140 1.00 0.78 H new ATOM 0 HD2 LYS A 44 -1.188 1.448 1.565 1.00 0.82 H new ATOM 0 HD3 LYS A 44 -0.220 2.147 2.847 1.00 0.82 H new ATOM 0 HE2 LYS A 44 1.244 3.234 1.347 1.00 1.08 H new ATOM 0 HE3 LYS A 44 0.968 2.071 0.065 1.00 1.08 H new ATOM 0 HZ1 LYS A 44 -0.159 4.080 -0.502 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -1.354 2.947 -0.087 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.924 4.169 1.011 1.00 1.53 H new ATOM 660 N PHE A 45 -0.913 -3.863 2.045 1.00 0.55 N ATOM 661 CA PHE A 45 -1.284 -5.048 2.877 1.00 0.57 C ATOM 662 C PHE A 45 -0.421 -6.254 2.478 1.00 0.51 C ATOM 663 O PHE A 45 0.077 -6.967 3.327 1.00 0.54 O ATOM 664 CB PHE A 45 -2.764 -5.382 2.660 1.00 0.65 C ATOM 665 CG PHE A 45 -3.594 -4.724 3.738 1.00 0.77 C ATOM 666 CD1 PHE A 45 -3.892 -3.358 3.658 1.00 1.17 C ATOM 667 CD2 PHE A 45 -4.066 -5.480 4.819 1.00 0.95 C ATOM 668 CE1 PHE A 45 -4.661 -2.749 4.656 1.00 1.38 C ATOM 669 CE2 PHE A 45 -4.835 -4.871 5.817 1.00 1.14 C ATOM 670 CZ PHE A 45 -5.131 -3.505 5.736 1.00 1.23 C ATOM 0 H PHE A 45 -1.606 -3.595 1.346 1.00 0.55 H new ATOM 0 HA PHE A 45 -1.113 -4.817 3.928 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -3.085 -5.036 1.677 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -2.911 -6.462 2.682 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -3.528 -2.774 2.825 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -3.836 -6.533 4.882 1.00 0.95 H new ATOM 0 HE1 PHE A 45 -4.892 -1.696 4.593 1.00 1.38 H new ATOM 0 HE2 PHE A 45 -5.200 -5.454 6.649 1.00 1.14 H new ATOM 0 HZ PHE A 45 -5.722 -3.034 6.507 1.00 1.23 H new ATOM 680 N ALA A 46 -0.244 -6.484 1.196 1.00 0.50 N ATOM 681 CA ALA A 46 0.585 -7.646 0.737 1.00 0.48 C ATOM 682 C ALA A 46 2.024 -7.507 1.253 1.00 0.46 C ATOM 683 O ALA A 46 2.596 -8.451 1.769 1.00 0.49 O ATOM 684 CB ALA A 46 0.597 -7.691 -0.795 1.00 0.51 C ATOM 0 H ALA A 46 -0.639 -5.915 0.447 1.00 0.50 H new ATOM 0 HA ALA A 46 0.153 -8.566 1.130 1.00 0.48 H new ATOM 0 HB1 ALA A 46 1.200 -8.536 -1.129 1.00 0.51 H new ATOM 0 HB2 ALA A 46 -0.423 -7.804 -1.164 1.00 0.51 H new ATOM 0 HB3 ALA A 46 1.023 -6.765 -1.183 1.00 0.51 H new ATOM 690 N ALA A 47 2.608 -6.338 1.116 1.00 0.48 N ATOM 691 CA ALA A 47 4.011 -6.120 1.591 1.00 0.50 C ATOM 692 C ALA A 47 4.061 -6.176 3.124 1.00 0.51 C ATOM 693 O ALA A 47 4.941 -6.791 3.699 1.00 0.55 O ATOM 694 CB ALA A 47 4.498 -4.748 1.116 1.00 0.58 C ATOM 0 H ALA A 47 2.168 -5.521 0.692 1.00 0.48 H new ATOM 0 HA ALA A 47 4.653 -6.901 1.184 1.00 0.50 H new ATOM 0 HB1 ALA A 47 5.519 -4.585 1.460 1.00 0.58 H new ATOM 0 HB2 ALA A 47 4.471 -4.709 0.027 1.00 0.58 H new ATOM 0 HB3 ALA A 47 3.850 -3.971 1.523 1.00 0.58 H new ATOM 700 N GLU A 48 3.123 -5.534 3.784 1.00 0.52 N ATOM 701 CA GLU A 48 3.100 -5.533 5.283 1.00 0.56 C ATOM 702 C GLU A 48 2.884 -6.961 5.810 1.00 0.57 C ATOM 703 O GLU A 48 3.547 -7.389 6.737 1.00 0.64 O ATOM 704 CB GLU A 48 1.960 -4.627 5.766 1.00 0.62 C ATOM 705 CG GLU A 48 1.937 -4.585 7.299 1.00 0.71 C ATOM 706 CD GLU A 48 0.715 -5.354 7.818 1.00 0.85 C ATOM 707 OE1 GLU A 48 -0.354 -4.766 7.868 1.00 0.98 O ATOM 708 OE2 GLU A 48 0.870 -6.516 8.158 1.00 0.99 O ATOM 0 H GLU A 48 2.368 -5.008 3.345 1.00 0.52 H new ATOM 0 HA GLU A 48 4.053 -5.161 5.659 1.00 0.56 H new ATOM 0 HB2 GLU A 48 2.091 -3.621 5.368 1.00 0.62 H new ATOM 0 HB3 GLU A 48 1.006 -4.997 5.390 1.00 0.62 H new ATOM 0 HG2 GLU A 48 2.851 -5.024 7.698 1.00 0.71 H new ATOM 0 HG3 GLU A 48 1.902 -3.552 7.644 1.00 0.71 H new ATOM 715 N GLU A 49 1.957 -7.691 5.231 1.00 0.55 N ATOM 716 CA GLU A 49 1.683 -9.089 5.696 1.00 0.61 C ATOM 717 C GLU A 49 2.877 -10.004 5.387 1.00 0.58 C ATOM 718 O GLU A 49 3.117 -10.967 6.092 1.00 0.67 O ATOM 719 CB GLU A 49 0.437 -9.633 4.986 1.00 0.63 C ATOM 720 CG GLU A 49 -0.796 -9.422 5.872 1.00 0.74 C ATOM 721 CD GLU A 49 -1.562 -8.182 5.404 1.00 0.70 C ATOM 722 OE1 GLU A 49 -2.366 -8.312 4.494 1.00 0.84 O ATOM 723 OE2 GLU A 49 -1.333 -7.120 5.963 1.00 0.74 O ATOM 0 H GLU A 49 1.377 -7.376 4.453 1.00 0.55 H new ATOM 0 HA GLU A 49 1.519 -9.070 6.773 1.00 0.61 H new ATOM 0 HB2 GLU A 49 0.301 -9.127 4.030 1.00 0.63 H new ATOM 0 HB3 GLU A 49 0.564 -10.694 4.769 1.00 0.63 H new ATOM 0 HG2 GLU A 49 -1.442 -10.299 5.827 1.00 0.74 H new ATOM 0 HG3 GLU A 49 -0.492 -9.303 6.912 1.00 0.74 H new ATOM 730 N PHE A 50 3.625 -9.718 4.342 1.00 0.52 N ATOM 731 CA PHE A 50 4.794 -10.579 3.997 1.00 0.53 C ATOM 732 C PHE A 50 5.984 -10.209 4.890 1.00 0.58 C ATOM 733 O PHE A 50 6.240 -10.862 5.885 1.00 0.64 O ATOM 734 CB PHE A 50 5.166 -10.380 2.519 1.00 0.51 C ATOM 735 CG PHE A 50 4.655 -11.542 1.697 1.00 0.52 C ATOM 736 CD1 PHE A 50 5.013 -12.855 2.035 1.00 0.67 C ATOM 737 CD2 PHE A 50 3.827 -11.307 0.593 1.00 0.53 C ATOM 738 CE1 PHE A 50 4.542 -13.928 1.269 1.00 0.73 C ATOM 739 CE2 PHE A 50 3.357 -12.380 -0.172 1.00 0.57 C ATOM 740 CZ PHE A 50 3.715 -13.691 0.166 1.00 0.63 C ATOM 0 H PHE A 50 3.472 -8.926 3.718 1.00 0.52 H new ATOM 0 HA PHE A 50 4.535 -11.625 4.160 1.00 0.53 H new ATOM 0 HB2 PHE A 50 4.739 -9.447 2.150 1.00 0.51 H new ATOM 0 HB3 PHE A 50 6.248 -10.298 2.415 1.00 0.51 H new ATOM 0 HD1 PHE A 50 5.652 -13.038 2.886 1.00 0.67 H new ATOM 0 HD2 PHE A 50 3.551 -10.296 0.331 1.00 0.53 H new ATOM 0 HE1 PHE A 50 4.817 -14.939 1.530 1.00 0.73 H new ATOM 0 HE2 PHE A 50 2.718 -12.197 -1.023 1.00 0.57 H new ATOM 0 HZ PHE A 50 3.353 -14.519 -0.425 1.00 0.63 H new ATOM 750 N LYS A 51 6.712 -9.168 4.539 1.00 0.58 N ATOM 751 CA LYS A 51 7.899 -8.748 5.360 1.00 0.64 C ATOM 752 C LYS A 51 8.643 -7.586 4.670 1.00 0.64 C ATOM 753 O LYS A 51 9.859 -7.508 4.719 1.00 0.70 O ATOM 754 CB LYS A 51 8.859 -9.940 5.515 1.00 0.70 C ATOM 755 CG LYS A 51 9.098 -10.586 4.145 1.00 0.74 C ATOM 756 CD LYS A 51 10.323 -11.498 4.204 1.00 0.76 C ATOM 757 CE LYS A 51 10.745 -11.873 2.780 1.00 1.09 C ATOM 758 NZ LYS A 51 11.127 -13.313 2.730 1.00 1.30 N ATOM 0 H LYS A 51 6.534 -8.591 3.717 1.00 0.58 H new ATOM 0 HA LYS A 51 7.552 -8.418 6.339 1.00 0.64 H new ATOM 0 HB2 LYS A 51 9.805 -9.606 5.941 1.00 0.70 H new ATOM 0 HB3 LYS A 51 8.439 -10.671 6.205 1.00 0.70 H new ATOM 0 HG2 LYS A 51 8.221 -11.160 3.846 1.00 0.74 H new ATOM 0 HG3 LYS A 51 9.245 -9.814 3.390 1.00 0.74 H new ATOM 0 HD2 LYS A 51 11.142 -10.993 4.717 1.00 0.76 H new ATOM 0 HD3 LYS A 51 10.094 -12.397 4.776 1.00 0.76 H new ATOM 0 HE2 LYS A 51 9.927 -11.680 2.086 1.00 1.09 H new ATOM 0 HE3 LYS A 51 11.584 -11.253 2.464 1.00 1.09 H new ATOM 0 HZ1 LYS A 51 10.892 -13.702 1.795 1.00 1.30 H new ATOM 0 HZ2 LYS A 51 12.149 -13.407 2.897 1.00 1.30 H new ATOM 0 HZ3 LYS A 51 10.607 -13.836 3.463 1.00 1.30 H new ATOM 772 N VAL A 52 7.932 -6.684 4.029 1.00 0.59 N ATOM 773 CA VAL A 52 8.613 -5.540 3.340 1.00 0.61 C ATOM 774 C VAL A 52 7.745 -4.274 3.414 1.00 0.59 C ATOM 775 O VAL A 52 6.536 -4.356 3.530 1.00 0.60 O ATOM 776 CB VAL A 52 8.875 -5.893 1.866 1.00 0.62 C ATOM 777 CG1 VAL A 52 10.083 -6.827 1.768 1.00 0.75 C ATOM 778 CG2 VAL A 52 7.647 -6.586 1.265 1.00 0.59 C ATOM 0 H VAL A 52 6.915 -6.691 3.954 1.00 0.59 H new ATOM 0 HA VAL A 52 9.561 -5.351 3.843 1.00 0.61 H new ATOM 0 HB VAL A 52 9.075 -4.975 1.313 1.00 0.62 H new ATOM 0 HG11 VAL A 52 10.267 -7.076 0.723 1.00 0.75 H new ATOM 0 HG12 VAL A 52 10.961 -6.331 2.183 1.00 0.75 H new ATOM 0 HG13 VAL A 52 9.883 -7.740 2.329 1.00 0.75 H new ATOM 0 HG21 VAL A 52 7.842 -6.832 0.221 1.00 0.59 H new ATOM 0 HG22 VAL A 52 7.437 -7.500 1.820 1.00 0.59 H new ATOM 0 HG23 VAL A 52 6.787 -5.919 1.326 1.00 0.59 H new ATOM 788 N PRO A 53 8.403 -3.137 3.339 1.00 0.62 N ATOM 789 CA PRO A 53 7.739 -1.819 3.388 1.00 0.64 C ATOM 790 C PRO A 53 7.101 -1.489 2.033 1.00 0.64 C ATOM 791 O PRO A 53 7.726 -1.620 0.997 1.00 0.66 O ATOM 792 CB PRO A 53 8.883 -0.850 3.701 1.00 0.72 C ATOM 793 CG PRO A 53 10.187 -1.556 3.257 1.00 0.75 C ATOM 794 CD PRO A 53 9.874 -3.062 3.198 1.00 0.68 C ATOM 0 HA PRO A 53 6.935 -1.773 4.122 1.00 0.64 H new ATOM 0 HB2 PRO A 53 8.751 0.092 3.169 1.00 0.72 H new ATOM 0 HB3 PRO A 53 8.912 -0.614 4.765 1.00 0.72 H new ATOM 0 HG2 PRO A 53 10.514 -1.190 2.284 1.00 0.75 H new ATOM 0 HG3 PRO A 53 10.995 -1.356 3.961 1.00 0.75 H new ATOM 0 HD2 PRO A 53 10.206 -3.500 2.257 1.00 0.68 H new ATOM 0 HD3 PRO A 53 10.378 -3.604 3.998 1.00 0.68 H new ATOM 802 N ALA A 54 5.859 -1.062 2.042 1.00 0.71 N ATOM 803 CA ALA A 54 5.157 -0.718 0.762 1.00 0.77 C ATOM 804 C ALA A 54 5.941 0.360 -0.002 1.00 0.76 C ATOM 805 O ALA A 54 5.969 0.363 -1.220 1.00 0.83 O ATOM 806 CB ALA A 54 3.751 -0.196 1.075 1.00 0.91 C ATOM 0 H ALA A 54 5.299 -0.936 2.885 1.00 0.71 H new ATOM 0 HA ALA A 54 5.090 -1.614 0.145 1.00 0.77 H new ATOM 0 HB1 ALA A 54 3.240 0.054 0.145 1.00 0.91 H new ATOM 0 HB2 ALA A 54 3.187 -0.965 1.603 1.00 0.91 H new ATOM 0 HB3 ALA A 54 3.824 0.694 1.700 1.00 0.91 H new ATOM 812 N ALA A 55 6.578 1.270 0.705 1.00 0.75 N ATOM 813 CA ALA A 55 7.364 2.352 0.031 1.00 0.80 C ATOM 814 C ALA A 55 8.495 1.738 -0.805 1.00 0.75 C ATOM 815 O ALA A 55 8.750 2.168 -1.915 1.00 0.87 O ATOM 816 CB ALA A 55 7.965 3.281 1.090 1.00 0.85 C ATOM 0 H ALA A 55 6.585 1.307 1.724 1.00 0.75 H new ATOM 0 HA ALA A 55 6.701 2.918 -0.623 1.00 0.80 H new ATOM 0 HB1 ALA A 55 8.537 4.069 0.600 1.00 0.85 H new ATOM 0 HB2 ALA A 55 7.164 3.727 1.679 1.00 0.85 H new ATOM 0 HB3 ALA A 55 8.622 2.709 1.745 1.00 0.85 H new ATOM 822 N THR A 56 9.171 0.740 -0.282 1.00 0.66 N ATOM 823 CA THR A 56 10.287 0.094 -1.042 1.00 0.69 C ATOM 824 C THR A 56 9.871 -1.328 -1.463 1.00 0.68 C ATOM 825 O THR A 56 10.646 -2.266 -1.377 1.00 0.74 O ATOM 826 CB THR A 56 11.544 0.034 -0.155 1.00 0.69 C ATOM 827 OG1 THR A 56 11.695 1.260 0.549 1.00 0.74 O ATOM 828 CG2 THR A 56 12.780 -0.204 -1.027 1.00 0.83 C ATOM 0 H THR A 56 8.996 0.345 0.642 1.00 0.66 H new ATOM 0 HA THR A 56 10.507 0.679 -1.935 1.00 0.69 H new ATOM 0 HB THR A 56 11.438 -0.784 0.558 1.00 0.69 H new ATOM 0 HG1 THR A 56 11.628 2.009 -0.080 1.00 0.74 H new ATOM 0 HG21 THR A 56 13.668 -0.246 -0.396 1.00 0.83 H new ATOM 0 HG22 THR A 56 12.671 -1.147 -1.563 1.00 0.83 H new ATOM 0 HG23 THR A 56 12.882 0.611 -1.743 1.00 0.83 H new ATOM 836 N SER A 57 8.649 -1.492 -1.923 1.00 0.70 N ATOM 837 CA SER A 57 8.179 -2.846 -2.354 1.00 0.73 C ATOM 838 C SER A 57 7.286 -2.722 -3.596 1.00 0.61 C ATOM 839 O SER A 57 6.669 -1.699 -3.835 1.00 0.62 O ATOM 840 CB SER A 57 7.385 -3.502 -1.222 1.00 0.86 C ATOM 841 OG SER A 57 7.190 -4.880 -1.518 1.00 1.02 O ATOM 0 H SER A 57 7.960 -0.746 -2.017 1.00 0.70 H new ATOM 0 HA SER A 57 9.047 -3.460 -2.595 1.00 0.73 H new ATOM 0 HB2 SER A 57 7.919 -3.394 -0.278 1.00 0.86 H new ATOM 0 HB3 SER A 57 6.422 -3.005 -1.102 1.00 0.86 H new ATOM 0 HG SER A 57 6.553 -5.265 -0.880 1.00 1.02 H new ATOM 847 N ALA A 58 7.218 -3.770 -4.378 1.00 0.58 N ATOM 848 CA ALA A 58 6.374 -3.753 -5.611 1.00 0.48 C ATOM 849 C ALA A 58 5.806 -5.156 -5.863 1.00 0.42 C ATOM 850 O ALA A 58 6.187 -6.116 -5.215 1.00 0.47 O ATOM 851 CB ALA A 58 7.229 -3.322 -6.805 1.00 0.50 C ATOM 0 H ALA A 58 7.716 -4.645 -4.213 1.00 0.58 H new ATOM 0 HA ALA A 58 5.551 -3.050 -5.481 1.00 0.48 H new ATOM 0 HB1 ALA A 58 6.616 -3.309 -7.706 1.00 0.50 H new ATOM 0 HB2 ALA A 58 7.630 -2.325 -6.624 1.00 0.50 H new ATOM 0 HB3 ALA A 58 8.051 -4.025 -6.936 1.00 0.50 H new ATOM 857 N ILE A 59 4.896 -5.281 -6.799 1.00 0.38 N ATOM 858 CA ILE A 59 4.296 -6.619 -7.096 1.00 0.34 C ATOM 859 C ILE A 59 4.398 -6.900 -8.599 1.00 0.32 C ATOM 860 O ILE A 59 3.885 -6.155 -9.412 1.00 0.38 O ATOM 861 CB ILE A 59 2.823 -6.623 -6.651 1.00 0.38 C ATOM 862 CG1 ILE A 59 2.755 -6.872 -5.139 1.00 0.45 C ATOM 863 CG2 ILE A 59 2.041 -7.726 -7.381 1.00 0.42 C ATOM 864 CD1 ILE A 59 1.415 -6.371 -4.592 1.00 0.55 C ATOM 0 H ILE A 59 4.543 -4.513 -7.370 1.00 0.38 H new ATOM 0 HA ILE A 59 4.834 -7.397 -6.554 1.00 0.34 H new ATOM 0 HB ILE A 59 2.379 -5.658 -6.895 1.00 0.38 H new ATOM 0 HG12 ILE A 59 2.869 -7.936 -4.931 1.00 0.45 H new ATOM 0 HG13 ILE A 59 3.577 -6.360 -4.639 1.00 0.45 H new ATOM 0 HG21 ILE A 59 1.002 -7.713 -7.053 1.00 0.42 H new ATOM 0 HG22 ILE A 59 2.084 -7.552 -8.456 1.00 0.42 H new ATOM 0 HG23 ILE A 59 2.481 -8.696 -7.152 1.00 0.42 H new ATOM 0 HD11 ILE A 59 1.371 -6.550 -3.518 1.00 0.55 H new ATOM 0 HD12 ILE A 59 1.319 -5.303 -4.786 1.00 0.55 H new ATOM 0 HD13 ILE A 59 0.600 -6.903 -5.082 1.00 0.55 H new ATOM 876 N ILE A 60 5.043 -7.981 -8.970 1.00 0.31 N ATOM 877 CA ILE A 60 5.169 -8.327 -10.421 1.00 0.32 C ATOM 878 C ILE A 60 4.110 -9.378 -10.792 1.00 0.32 C ATOM 879 O ILE A 60 3.373 -9.854 -9.946 1.00 0.37 O ATOM 880 CB ILE A 60 6.575 -8.874 -10.714 1.00 0.39 C ATOM 881 CG1 ILE A 60 6.832 -10.133 -9.876 1.00 0.44 C ATOM 882 CG2 ILE A 60 7.625 -7.814 -10.372 1.00 0.49 C ATOM 883 CD1 ILE A 60 7.496 -11.204 -10.745 1.00 0.65 C ATOM 0 H ILE A 60 5.488 -8.639 -8.330 1.00 0.31 H new ATOM 0 HA ILE A 60 5.011 -7.429 -11.018 1.00 0.32 H new ATOM 0 HB ILE A 60 6.643 -9.125 -11.773 1.00 0.39 H new ATOM 0 HG12 ILE A 60 7.471 -9.892 -9.027 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.893 -10.510 -9.471 1.00 0.44 H new ATOM 0 HG21 ILE A 60 8.620 -8.207 -10.581 1.00 0.49 H new ATOM 0 HG22 ILE A 60 7.452 -6.923 -10.975 1.00 0.49 H new ATOM 0 HG23 ILE A 60 7.552 -7.557 -9.315 1.00 0.49 H new ATOM 0 HD11 ILE A 60 7.677 -12.097 -10.147 1.00 0.65 H new ATOM 0 HD12 ILE A 60 6.841 -11.453 -11.580 1.00 0.65 H new ATOM 0 HD13 ILE A 60 8.444 -10.826 -11.128 1.00 0.65 H new ATOM 895 N THR A 61 4.027 -9.739 -12.051 1.00 0.36 N ATOM 896 CA THR A 61 3.016 -10.758 -12.482 1.00 0.42 C ATOM 897 C THR A 61 3.708 -12.100 -12.758 1.00 0.50 C ATOM 898 O THR A 61 4.924 -12.193 -12.777 1.00 0.56 O ATOM 899 CB THR A 61 2.305 -10.281 -13.757 1.00 0.45 C ATOM 900 OG1 THR A 61 3.259 -10.062 -14.788 1.00 0.49 O ATOM 901 CG2 THR A 61 1.552 -8.980 -13.471 1.00 0.55 C ATOM 0 H THR A 61 4.616 -9.372 -12.799 1.00 0.36 H new ATOM 0 HA THR A 61 2.284 -10.886 -11.684 1.00 0.42 H new ATOM 0 HB THR A 61 1.598 -11.045 -14.079 1.00 0.45 H new ATOM 0 HG1 THR A 61 2.794 -9.916 -15.638 1.00 0.49 H new ATOM 0 HG21 THR A 61 1.049 -8.644 -14.378 1.00 0.55 H new ATOM 0 HG22 THR A 61 0.813 -9.152 -12.688 1.00 0.55 H new ATOM 0 HG23 THR A 61 2.257 -8.216 -13.143 1.00 0.55 H new ATOM 909 N ASN A 62 2.934 -13.137 -12.981 1.00 0.63 N ATOM 910 CA ASN A 62 3.522 -14.483 -13.268 1.00 0.74 C ATOM 911 C ASN A 62 4.250 -14.460 -14.624 1.00 0.70 C ATOM 912 O ASN A 62 5.150 -15.246 -14.862 1.00 0.83 O ATOM 913 CB ASN A 62 2.407 -15.539 -13.299 1.00 0.90 C ATOM 914 CG ASN A 62 1.413 -15.223 -14.424 1.00 0.91 C ATOM 915 OD1 ASN A 62 0.559 -14.369 -14.276 1.00 0.99 O ATOM 916 ND2 ASN A 62 1.486 -15.883 -15.549 1.00 1.03 N ATOM 0 H ASN A 62 1.914 -13.107 -12.976 1.00 0.63 H new ATOM 0 HA ASN A 62 4.236 -14.734 -12.484 1.00 0.74 H new ATOM 0 HB2 ASN A 62 2.837 -16.529 -13.451 1.00 0.90 H new ATOM 0 HB3 ASN A 62 1.889 -15.560 -12.340 1.00 0.90 H new ATOM 0 HD21 ASN A 62 0.828 -15.682 -16.302 1.00 1.03 H new ATOM 0 HD22 ASN A 62 2.201 -16.599 -15.675 1.00 1.03 H new ATOM 923 N ASP A 63 3.865 -13.565 -15.510 1.00 0.64 N ATOM 924 CA ASP A 63 4.527 -13.483 -16.849 1.00 0.71 C ATOM 925 C ASP A 63 5.846 -12.710 -16.723 1.00 0.71 C ATOM 926 O ASP A 63 6.878 -13.158 -17.185 1.00 0.94 O ATOM 927 CB ASP A 63 3.602 -12.759 -17.837 1.00 0.78 C ATOM 928 CG ASP A 63 2.247 -13.473 -17.898 1.00 0.97 C ATOM 929 OD1 ASP A 63 2.133 -14.426 -18.653 1.00 1.22 O ATOM 930 OD2 ASP A 63 1.345 -13.055 -17.189 1.00 1.10 O ATOM 0 H ASP A 63 3.118 -12.887 -15.359 1.00 0.64 H new ATOM 0 HA ASP A 63 4.730 -14.490 -17.214 1.00 0.71 H new ATOM 0 HB2 ASP A 63 3.464 -11.723 -17.528 1.00 0.78 H new ATOM 0 HB3 ASP A 63 4.057 -12.738 -18.827 1.00 0.78 H new ATOM 935 N GLY A 64 5.814 -11.554 -16.099 1.00 0.61 N ATOM 936 CA GLY A 64 7.060 -10.743 -15.934 1.00 0.69 C ATOM 937 C GLY A 64 6.736 -9.251 -16.074 1.00 0.70 C ATOM 938 O GLY A 64 7.354 -8.546 -16.850 1.00 0.94 O ATOM 0 H GLY A 64 4.974 -11.138 -15.696 1.00 0.61 H new ATOM 0 HA2 GLY A 64 7.504 -10.937 -14.958 1.00 0.69 H new ATOM 0 HA3 GLY A 64 7.796 -11.036 -16.683 1.00 0.69 H new ATOM 942 N VAL A 65 5.773 -8.770 -15.321 1.00 0.56 N ATOM 943 CA VAL A 65 5.395 -7.324 -15.392 1.00 0.60 C ATOM 944 C VAL A 65 5.438 -6.728 -13.980 1.00 0.52 C ATOM 945 O VAL A 65 4.701 -7.140 -13.105 1.00 0.48 O ATOM 946 CB VAL A 65 3.980 -7.186 -15.973 1.00 0.67 C ATOM 947 CG1 VAL A 65 3.615 -5.704 -16.094 1.00 0.82 C ATOM 948 CG2 VAL A 65 3.928 -7.833 -17.360 1.00 0.78 C ATOM 0 H VAL A 65 5.231 -9.322 -14.657 1.00 0.56 H new ATOM 0 HA VAL A 65 6.094 -6.791 -16.036 1.00 0.60 H new ATOM 0 HB VAL A 65 3.271 -7.683 -15.311 1.00 0.67 H new ATOM 0 HG11 VAL A 65 2.611 -5.609 -16.507 1.00 0.82 H new ATOM 0 HG12 VAL A 65 3.648 -5.240 -15.108 1.00 0.82 H new ATOM 0 HG13 VAL A 65 4.326 -5.207 -16.753 1.00 0.82 H new ATOM 0 HG21 VAL A 65 2.923 -7.734 -17.770 1.00 0.78 H new ATOM 0 HG22 VAL A 65 4.640 -7.337 -18.020 1.00 0.78 H new ATOM 0 HG23 VAL A 65 4.184 -8.889 -17.279 1.00 0.78 H new ATOM 958 N GLY A 66 6.303 -5.765 -13.758 1.00 0.58 N ATOM 959 CA GLY A 66 6.417 -5.132 -12.411 1.00 0.52 C ATOM 960 C GLY A 66 5.230 -4.201 -12.170 1.00 0.52 C ATOM 961 O GLY A 66 5.295 -3.016 -12.439 1.00 0.62 O ATOM 0 H GLY A 66 6.939 -5.390 -14.462 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.449 -5.902 -11.640 1.00 0.52 H new ATOM 0 HA3 GLY A 66 7.349 -4.572 -12.341 1.00 0.52 H new ATOM 965 N VAL A 67 4.149 -4.736 -11.659 1.00 0.46 N ATOM 966 CA VAL A 67 2.939 -3.899 -11.384 1.00 0.51 C ATOM 967 C VAL A 67 3.215 -2.985 -10.183 1.00 0.46 C ATOM 968 O VAL A 67 3.634 -3.435 -9.130 1.00 0.47 O ATOM 969 CB VAL A 67 1.737 -4.804 -11.074 1.00 0.54 C ATOM 970 CG1 VAL A 67 0.467 -3.957 -10.965 1.00 0.67 C ATOM 971 CG2 VAL A 67 1.563 -5.830 -12.197 1.00 0.64 C ATOM 0 H VAL A 67 4.052 -5.723 -11.419 1.00 0.46 H new ATOM 0 HA VAL A 67 2.713 -3.293 -12.262 1.00 0.51 H new ATOM 0 HB VAL A 67 1.913 -5.320 -10.130 1.00 0.54 H new ATOM 0 HG11 VAL A 67 -0.383 -4.603 -10.745 1.00 0.67 H new ATOM 0 HG12 VAL A 67 0.584 -3.226 -10.165 1.00 0.67 H new ATOM 0 HG13 VAL A 67 0.294 -3.438 -11.908 1.00 0.67 H new ATOM 0 HG21 VAL A 67 0.710 -6.471 -11.975 1.00 0.64 H new ATOM 0 HG22 VAL A 67 1.392 -5.311 -13.140 1.00 0.64 H new ATOM 0 HG23 VAL A 67 2.464 -6.439 -12.276 1.00 0.64 H new ATOM 981 N ASN A 68 2.983 -1.704 -10.342 1.00 0.49 N ATOM 982 CA ASN A 68 3.227 -0.744 -9.223 1.00 0.47 C ATOM 983 C ASN A 68 1.889 -0.337 -8.581 1.00 0.48 C ATOM 984 O ASN A 68 0.838 -0.535 -9.165 1.00 0.52 O ATOM 985 CB ASN A 68 3.936 0.501 -9.771 1.00 0.55 C ATOM 986 CG ASN A 68 5.450 0.266 -9.788 1.00 0.65 C ATOM 987 OD1 ASN A 68 6.047 -0.010 -8.765 1.00 0.99 O ATOM 988 ND2 ASN A 68 6.103 0.365 -10.914 1.00 1.32 N ATOM 0 H ASN A 68 2.634 -1.282 -11.202 1.00 0.49 H new ATOM 0 HA ASN A 68 3.853 -1.220 -8.468 1.00 0.47 H new ATOM 0 HB2 ASN A 68 3.581 0.720 -10.778 1.00 0.55 H new ATOM 0 HB3 ASN A 68 3.699 1.368 -9.154 1.00 0.55 H new ATOM 0 HD21 ASN A 68 7.111 0.211 -10.934 1.00 1.32 H new ATOM 0 HD22 ASN A 68 5.605 0.596 -11.774 1.00 1.32 H new ATOM 995 N PRO A 69 1.978 0.226 -7.394 1.00 0.50 N ATOM 996 CA PRO A 69 0.799 0.684 -6.633 1.00 0.56 C ATOM 997 C PRO A 69 0.292 2.019 -7.203 1.00 0.61 C ATOM 998 O PRO A 69 0.365 3.054 -6.565 1.00 0.70 O ATOM 999 CB PRO A 69 1.334 0.842 -5.204 1.00 0.62 C ATOM 1000 CG PRO A 69 2.864 1.020 -5.328 1.00 0.61 C ATOM 1001 CD PRO A 69 3.262 0.459 -6.706 1.00 0.52 C ATOM 0 HA PRO A 69 -0.048 -0.001 -6.680 1.00 0.56 H new ATOM 0 HB2 PRO A 69 0.881 1.703 -4.713 1.00 0.62 H new ATOM 0 HB3 PRO A 69 1.092 -0.033 -4.600 1.00 0.62 H new ATOM 0 HG2 PRO A 69 3.140 2.071 -5.243 1.00 0.61 H new ATOM 0 HG3 PRO A 69 3.382 0.489 -4.529 1.00 0.61 H new ATOM 0 HD2 PRO A 69 3.885 1.164 -7.257 1.00 0.52 H new ATOM 0 HD3 PRO A 69 3.834 -0.464 -6.609 1.00 0.52 H new ATOM 1009 N ALA A 70 -0.210 1.991 -8.413 1.00 0.60 N ATOM 1010 CA ALA A 70 -0.721 3.241 -9.061 1.00 0.68 C ATOM 1011 C ALA A 70 -2.114 2.996 -9.666 1.00 0.70 C ATOM 1012 O ALA A 70 -2.982 3.846 -9.593 1.00 0.92 O ATOM 1013 CB ALA A 70 0.243 3.669 -10.169 1.00 0.72 C ATOM 0 H ALA A 70 -0.289 1.150 -8.985 1.00 0.60 H new ATOM 0 HA ALA A 70 -0.793 4.026 -8.308 1.00 0.68 H new ATOM 0 HB1 ALA A 70 -0.127 4.579 -10.642 1.00 0.72 H new ATOM 0 HB2 ALA A 70 1.228 3.857 -9.742 1.00 0.72 H new ATOM 0 HB3 ALA A 70 0.316 2.877 -10.914 1.00 0.72 H new ATOM 1019 N GLN A 71 -2.327 1.846 -10.268 1.00 0.64 N ATOM 1020 CA GLN A 71 -3.656 1.542 -10.891 1.00 0.66 C ATOM 1021 C GLN A 71 -4.637 1.038 -9.821 1.00 0.64 C ATOM 1022 O GLN A 71 -4.227 0.617 -8.755 1.00 0.63 O ATOM 1023 CB GLN A 71 -3.476 0.461 -11.961 1.00 0.65 C ATOM 1024 CG GLN A 71 -2.761 1.052 -13.179 1.00 0.78 C ATOM 1025 CD GLN A 71 -1.750 0.037 -13.718 1.00 1.06 C ATOM 1026 OE1 GLN A 71 -2.031 -0.678 -14.659 1.00 1.29 O ATOM 1027 NE2 GLN A 71 -0.574 -0.058 -13.156 1.00 1.36 N ATOM 0 H GLN A 71 -1.633 1.103 -10.354 1.00 0.64 H new ATOM 0 HA GLN A 71 -4.056 2.450 -11.343 1.00 0.66 H new ATOM 0 HB2 GLN A 71 -2.899 -0.371 -11.557 1.00 0.65 H new ATOM 0 HB3 GLN A 71 -4.447 0.062 -12.256 1.00 0.65 H new ATOM 0 HG2 GLN A 71 -3.486 1.305 -13.952 1.00 0.78 H new ATOM 0 HG3 GLN A 71 -2.253 1.976 -12.903 1.00 0.78 H new ATOM 0 HE21 GLN A 71 -0.336 0.542 -12.366 1.00 1.36 H new ATOM 0 HE22 GLN A 71 0.106 -0.732 -13.508 1.00 1.36 H new ATOM 1036 N PRO A 72 -5.912 1.090 -10.146 1.00 0.67 N ATOM 1037 CA PRO A 72 -6.989 0.638 -9.240 1.00 0.68 C ATOM 1038 C PRO A 72 -7.090 -0.895 -9.245 1.00 0.64 C ATOM 1039 O PRO A 72 -6.659 -1.550 -10.176 1.00 0.65 O ATOM 1040 CB PRO A 72 -8.249 1.272 -9.836 1.00 0.74 C ATOM 1041 CG PRO A 72 -7.932 1.561 -11.322 1.00 0.76 C ATOM 1042 CD PRO A 72 -6.398 1.605 -11.446 1.00 0.71 C ATOM 0 HA PRO A 72 -6.824 0.925 -8.202 1.00 0.68 H new ATOM 0 HB2 PRO A 72 -9.102 0.600 -9.745 1.00 0.74 H new ATOM 0 HB3 PRO A 72 -8.508 2.190 -9.309 1.00 0.74 H new ATOM 0 HG2 PRO A 72 -8.350 0.786 -11.965 1.00 0.76 H new ATOM 0 HG3 PRO A 72 -8.373 2.507 -11.635 1.00 0.76 H new ATOM 0 HD2 PRO A 72 -6.048 0.989 -12.274 1.00 0.71 H new ATOM 0 HD3 PRO A 72 -6.043 2.619 -11.630 1.00 0.71 H new ATOM 1050 N ALA A 73 -7.659 -1.465 -8.206 1.00 0.66 N ATOM 1051 CA ALA A 73 -7.797 -2.956 -8.129 1.00 0.65 C ATOM 1052 C ALA A 73 -8.553 -3.484 -9.359 1.00 0.66 C ATOM 1053 O ALA A 73 -8.219 -4.524 -9.895 1.00 0.68 O ATOM 1054 CB ALA A 73 -8.569 -3.332 -6.861 1.00 0.71 C ATOM 0 H ALA A 73 -8.035 -0.958 -7.405 1.00 0.66 H new ATOM 0 HA ALA A 73 -6.803 -3.402 -8.103 1.00 0.65 H new ATOM 0 HB1 ALA A 73 -8.670 -4.416 -6.804 1.00 0.71 H new ATOM 0 HB2 ALA A 73 -8.029 -2.972 -5.986 1.00 0.71 H new ATOM 0 HB3 ALA A 73 -9.559 -2.877 -6.889 1.00 0.71 H new ATOM 1060 N GLY A 74 -9.563 -2.772 -9.807 1.00 0.69 N ATOM 1061 CA GLY A 74 -10.344 -3.222 -11.001 1.00 0.73 C ATOM 1062 C GLY A 74 -9.417 -3.358 -12.216 1.00 0.68 C ATOM 1063 O GLY A 74 -9.473 -4.338 -12.935 1.00 0.69 O ATOM 0 H GLY A 74 -9.879 -1.895 -9.393 1.00 0.69 H new ATOM 0 HA2 GLY A 74 -10.825 -4.178 -10.792 1.00 0.73 H new ATOM 0 HA3 GLY A 74 -11.137 -2.506 -11.217 1.00 0.73 H new ATOM 1067 N ASN A 75 -8.567 -2.381 -12.445 1.00 0.68 N ATOM 1068 CA ASN A 75 -7.631 -2.442 -13.613 1.00 0.66 C ATOM 1069 C ASN A 75 -6.543 -3.496 -13.366 1.00 0.59 C ATOM 1070 O ASN A 75 -6.144 -4.196 -14.276 1.00 0.62 O ATOM 1071 CB ASN A 75 -6.974 -1.072 -13.812 1.00 0.73 C ATOM 1072 CG ASN A 75 -6.477 -0.948 -15.254 1.00 0.84 C ATOM 1073 OD1 ASN A 75 -5.327 -1.220 -15.538 1.00 1.14 O ATOM 1074 ND2 ASN A 75 -7.301 -0.547 -16.185 1.00 1.18 N ATOM 0 H ASN A 75 -8.483 -1.542 -11.870 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.195 -2.715 -14.505 1.00 0.66 H new ATOM 0 HB2 ASN A 75 -7.689 -0.279 -13.593 1.00 0.73 H new ATOM 0 HB3 ASN A 75 -6.142 -0.952 -13.118 1.00 0.73 H new ATOM 0 HD21 ASN A 75 -6.979 -0.462 -17.149 1.00 1.18 H new ATOM 0 HD22 ASN A 75 -8.266 -0.318 -15.948 1.00 1.18 H new ATOM 1081 N ILE A 76 -6.059 -3.613 -12.147 1.00 0.55 N ATOM 1082 CA ILE A 76 -4.994 -4.625 -11.846 1.00 0.51 C ATOM 1083 C ILE A 76 -5.536 -6.037 -12.120 1.00 0.52 C ATOM 1084 O ILE A 76 -4.867 -6.855 -12.721 1.00 0.53 O ATOM 1085 CB ILE A 76 -4.567 -4.508 -10.374 1.00 0.55 C ATOM 1086 CG1 ILE A 76 -3.957 -3.119 -10.123 1.00 0.56 C ATOM 1087 CG2 ILE A 76 -3.534 -5.592 -10.040 1.00 0.56 C ATOM 1088 CD1 ILE A 76 -2.647 -2.967 -10.903 1.00 0.55 C ATOM 0 H ILE A 76 -6.357 -3.051 -11.350 1.00 0.55 H new ATOM 0 HA ILE A 76 -4.129 -4.440 -12.483 1.00 0.51 H new ATOM 0 HB ILE A 76 -5.442 -4.641 -9.737 1.00 0.55 H new ATOM 0 HG12 ILE A 76 -4.661 -2.344 -10.426 1.00 0.56 H new ATOM 0 HG13 ILE A 76 -3.772 -2.982 -9.058 1.00 0.56 H new ATOM 0 HG21 ILE A 76 -3.237 -5.502 -8.995 1.00 0.56 H new ATOM 0 HG22 ILE A 76 -3.971 -6.576 -10.209 1.00 0.56 H new ATOM 0 HG23 ILE A 76 -2.659 -5.469 -10.678 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -2.225 -1.979 -10.717 1.00 0.55 H new ATOM 0 HD12 ILE A 76 -1.940 -3.731 -10.579 1.00 0.55 H new ATOM 0 HD13 ILE A 76 -2.843 -3.083 -11.969 1.00 0.55 H new ATOM 1100 N PHE A 77 -6.744 -6.317 -11.687 1.00 0.56 N ATOM 1101 CA PHE A 77 -7.343 -7.668 -11.923 1.00 0.61 C ATOM 1102 C PHE A 77 -7.749 -7.805 -13.400 1.00 0.63 C ATOM 1103 O PHE A 77 -7.594 -8.854 -13.997 1.00 0.71 O ATOM 1104 CB PHE A 77 -8.583 -7.832 -11.033 1.00 0.68 C ATOM 1105 CG PHE A 77 -9.060 -9.266 -11.075 1.00 0.68 C ATOM 1106 CD1 PHE A 77 -8.513 -10.213 -10.201 1.00 0.73 C ATOM 1107 CD2 PHE A 77 -10.050 -9.647 -11.990 1.00 0.89 C ATOM 1108 CE1 PHE A 77 -8.956 -11.540 -10.242 1.00 0.81 C ATOM 1109 CE2 PHE A 77 -10.492 -10.973 -12.030 1.00 0.97 C ATOM 1110 CZ PHE A 77 -9.945 -11.920 -11.157 1.00 0.85 C ATOM 0 H PHE A 77 -7.341 -5.665 -11.179 1.00 0.56 H new ATOM 0 HA PHE A 77 -6.611 -8.438 -11.680 1.00 0.61 H new ATOM 0 HB2 PHE A 77 -8.346 -7.548 -10.008 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -9.376 -7.166 -11.373 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -7.750 -9.920 -9.496 1.00 0.73 H new ATOM 0 HD2 PHE A 77 -10.472 -8.917 -12.665 1.00 0.89 H new ATOM 0 HE1 PHE A 77 -8.535 -12.271 -9.568 1.00 0.81 H new ATOM 0 HE2 PHE A 77 -11.256 -11.266 -12.735 1.00 0.97 H new ATOM 0 HZ PHE A 77 -10.286 -12.944 -11.189 1.00 0.85 H new ATOM 1120 N LEU A 78 -8.272 -6.751 -13.982 1.00 0.64 N ATOM 1121 CA LEU A 78 -8.705 -6.795 -15.416 1.00 0.70 C ATOM 1122 C LEU A 78 -7.481 -6.948 -16.339 1.00 0.69 C ATOM 1123 O LEU A 78 -7.530 -7.665 -17.323 1.00 0.80 O ATOM 1124 CB LEU A 78 -9.464 -5.495 -15.739 1.00 0.74 C ATOM 1125 CG LEU A 78 -9.483 -5.230 -17.249 1.00 0.82 C ATOM 1126 CD1 LEU A 78 -10.336 -6.292 -17.951 1.00 0.96 C ATOM 1127 CD2 LEU A 78 -10.082 -3.845 -17.510 1.00 0.92 C ATOM 0 H LEU A 78 -8.419 -5.854 -13.520 1.00 0.64 H new ATOM 0 HA LEU A 78 -9.358 -7.652 -15.580 1.00 0.70 H new ATOM 0 HB2 LEU A 78 -10.486 -5.564 -15.365 1.00 0.74 H new ATOM 0 HB3 LEU A 78 -8.993 -4.657 -15.225 1.00 0.74 H new ATOM 0 HG LEU A 78 -8.465 -5.272 -17.637 1.00 0.82 H new ATOM 0 HD11 LEU A 78 -10.346 -6.099 -19.024 1.00 0.96 H new ATOM 0 HD12 LEU A 78 -9.914 -7.280 -17.764 1.00 0.96 H new ATOM 0 HD13 LEU A 78 -11.355 -6.253 -17.566 1.00 0.96 H new ATOM 0 HD21 LEU A 78 -10.098 -3.652 -18.583 1.00 0.92 H new ATOM 0 HD22 LEU A 78 -11.099 -3.809 -17.120 1.00 0.92 H new ATOM 0 HD23 LEU A 78 -9.476 -3.087 -17.014 1.00 0.92 H new ATOM 1139 N LYS A 79 -6.393 -6.274 -16.036 1.00 0.63 N ATOM 1140 CA LYS A 79 -5.173 -6.370 -16.901 1.00 0.65 C ATOM 1141 C LYS A 79 -4.335 -7.595 -16.509 1.00 0.65 C ATOM 1142 O LYS A 79 -4.038 -8.436 -17.337 1.00 0.75 O ATOM 1143 CB LYS A 79 -4.325 -5.102 -16.733 1.00 0.69 C ATOM 1144 CG LYS A 79 -4.324 -4.301 -18.039 1.00 1.26 C ATOM 1145 CD LYS A 79 -2.923 -4.329 -18.659 1.00 1.56 C ATOM 1146 CE LYS A 79 -2.179 -3.038 -18.305 1.00 1.94 C ATOM 1147 NZ LYS A 79 -0.836 -3.047 -18.950 1.00 2.24 N ATOM 0 H LYS A 79 -6.299 -5.661 -15.226 1.00 0.63 H new ATOM 0 HA LYS A 79 -5.487 -6.472 -17.940 1.00 0.65 H new ATOM 0 HB2 LYS A 79 -4.723 -4.492 -15.922 1.00 0.69 H new ATOM 0 HB3 LYS A 79 -3.304 -5.370 -16.459 1.00 0.69 H new ATOM 0 HG2 LYS A 79 -5.049 -4.721 -18.736 1.00 1.26 H new ATOM 0 HG3 LYS A 79 -4.627 -3.272 -17.846 1.00 1.26 H new ATOM 0 HD2 LYS A 79 -2.369 -5.193 -18.291 1.00 1.56 H new ATOM 0 HD3 LYS A 79 -2.995 -4.434 -19.742 1.00 1.56 H new ATOM 0 HE2 LYS A 79 -2.750 -2.173 -18.641 1.00 1.94 H new ATOM 0 HE3 LYS A 79 -2.074 -2.951 -17.224 1.00 1.94 H new ATOM 0 HZ1 LYS A 79 -0.330 -2.171 -18.710 1.00 2.24 H new ATOM 0 HZ2 LYS A 79 -0.292 -3.865 -18.609 1.00 2.24 H new ATOM 0 HZ3 LYS A 79 -0.947 -3.111 -19.982 1.00 2.24 H new ATOM 1161 N HIS A 80 -3.937 -7.690 -15.260 1.00 0.63 N ATOM 1162 CA HIS A 80 -3.098 -8.849 -14.816 1.00 0.70 C ATOM 1163 C HIS A 80 -3.994 -9.988 -14.315 1.00 0.72 C ATOM 1164 O HIS A 80 -4.032 -11.053 -14.906 1.00 0.93 O ATOM 1165 CB HIS A 80 -2.149 -8.399 -13.695 1.00 0.71 C ATOM 1166 CG HIS A 80 -1.448 -7.132 -14.107 1.00 0.79 C ATOM 1167 ND1 HIS A 80 -0.545 -7.092 -15.158 1.00 0.92 N ATOM 1168 CD2 HIS A 80 -1.522 -5.847 -13.628 1.00 0.92 C ATOM 1169 CE1 HIS A 80 -0.118 -5.822 -15.277 1.00 1.02 C ATOM 1170 NE2 HIS A 80 -0.682 -5.021 -14.369 1.00 1.02 N ATOM 0 H HIS A 80 -4.158 -7.013 -14.529 1.00 0.63 H new ATOM 0 HA HIS A 80 -2.512 -9.209 -15.662 1.00 0.70 H new ATOM 0 HB2 HIS A 80 -2.709 -8.234 -12.775 1.00 0.71 H new ATOM 0 HB3 HIS A 80 -1.418 -9.180 -13.488 1.00 0.71 H new ATOM 0 HD1 HIS A 80 -0.257 -7.882 -15.736 1.00 0.92 H new ATOM 0 HD2 HIS A 80 -2.139 -5.526 -12.801 1.00 0.92 H new ATOM 0 HE1 HIS A 80 0.595 -5.490 -16.017 1.00 1.02 H new ATOM 1178 N GLY A 81 -4.711 -9.778 -13.234 1.00 0.64 N ATOM 1179 CA GLY A 81 -5.604 -10.852 -12.696 1.00 0.69 C ATOM 1180 C GLY A 81 -5.373 -11.021 -11.190 1.00 0.67 C ATOM 1181 O GLY A 81 -5.276 -10.051 -10.458 1.00 0.76 O ATOM 0 H GLY A 81 -4.715 -8.908 -12.702 1.00 0.64 H new ATOM 0 HA2 GLY A 81 -6.647 -10.598 -12.886 1.00 0.69 H new ATOM 0 HA3 GLY A 81 -5.406 -11.792 -13.210 1.00 0.69 H new ATOM 1185 N SER A 82 -5.296 -12.247 -10.726 1.00 0.67 N ATOM 1186 CA SER A 82 -5.082 -12.495 -9.266 1.00 0.67 C ATOM 1187 C SER A 82 -3.665 -13.031 -9.018 1.00 0.59 C ATOM 1188 O SER A 82 -2.986 -12.587 -8.110 1.00 0.60 O ATOM 1189 CB SER A 82 -6.111 -13.512 -8.756 1.00 0.76 C ATOM 1190 OG SER A 82 -6.073 -14.682 -9.568 1.00 0.81 O ATOM 0 H SER A 82 -5.373 -13.088 -11.298 1.00 0.67 H new ATOM 0 HA SER A 82 -5.203 -11.554 -8.730 1.00 0.67 H new ATOM 0 HB2 SER A 82 -5.898 -13.770 -7.719 1.00 0.76 H new ATOM 0 HB3 SER A 82 -7.109 -13.075 -8.777 1.00 0.76 H new ATOM 0 HG SER A 82 -6.730 -15.330 -9.239 1.00 0.81 H new ATOM 1196 N GLU A 83 -3.219 -13.986 -9.807 1.00 0.58 N ATOM 1197 CA GLU A 83 -1.848 -14.557 -9.606 1.00 0.54 C ATOM 1198 C GLU A 83 -0.793 -13.454 -9.756 1.00 0.46 C ATOM 1199 O GLU A 83 -0.539 -12.962 -10.842 1.00 0.53 O ATOM 1200 CB GLU A 83 -1.586 -15.662 -10.638 1.00 0.62 C ATOM 1201 CG GLU A 83 -0.837 -16.825 -9.972 1.00 0.72 C ATOM 1202 CD GLU A 83 0.475 -16.322 -9.353 1.00 0.71 C ATOM 1203 OE1 GLU A 83 1.437 -16.168 -10.090 1.00 0.90 O ATOM 1204 OE2 GLU A 83 0.497 -16.103 -8.151 1.00 0.74 O ATOM 0 H GLU A 83 -3.746 -14.392 -10.580 1.00 0.58 H new ATOM 0 HA GLU A 83 -1.786 -14.979 -8.603 1.00 0.54 H new ATOM 0 HB2 GLU A 83 -2.529 -16.015 -11.054 1.00 0.62 H new ATOM 0 HB3 GLU A 83 -1.000 -15.267 -11.467 1.00 0.62 H new ATOM 0 HG2 GLU A 83 -1.462 -17.277 -9.202 1.00 0.72 H new ATOM 0 HG3 GLU A 83 -0.627 -17.601 -10.708 1.00 0.72 H new ATOM 1211 N LEU A 84 -0.181 -13.066 -8.661 1.00 0.41 N ATOM 1212 CA LEU A 84 0.862 -11.997 -8.701 1.00 0.39 C ATOM 1213 C LEU A 84 2.052 -12.402 -7.818 1.00 0.33 C ATOM 1214 O LEU A 84 1.967 -13.324 -7.023 1.00 0.43 O ATOM 1215 CB LEU A 84 0.261 -10.685 -8.185 1.00 0.48 C ATOM 1216 CG LEU A 84 -0.709 -10.120 -9.227 1.00 0.64 C ATOM 1217 CD1 LEU A 84 -1.846 -9.374 -8.527 1.00 0.86 C ATOM 1218 CD2 LEU A 84 0.041 -9.156 -10.151 1.00 0.73 C ATOM 0 H LEU A 84 -0.363 -13.450 -7.734 1.00 0.41 H new ATOM 0 HA LEU A 84 1.207 -11.863 -9.726 1.00 0.39 H new ATOM 0 HB2 LEU A 84 -0.261 -10.858 -7.244 1.00 0.48 H new ATOM 0 HB3 LEU A 84 1.054 -9.965 -7.983 1.00 0.48 H new ATOM 0 HG LEU A 84 -1.125 -10.940 -9.813 1.00 0.64 H new ATOM 0 HD11 LEU A 84 -2.533 -8.974 -9.273 1.00 0.86 H new ATOM 0 HD12 LEU A 84 -2.382 -10.060 -7.871 1.00 0.86 H new ATOM 0 HD13 LEU A 84 -1.435 -8.555 -7.937 1.00 0.86 H new ATOM 0 HD21 LEU A 84 -0.648 -8.753 -10.893 1.00 0.73 H new ATOM 0 HD22 LEU A 84 0.459 -8.339 -9.563 1.00 0.73 H new ATOM 0 HD23 LEU A 84 0.847 -9.689 -10.656 1.00 0.73 H new ATOM 1230 N ARG A 85 3.163 -11.718 -7.959 1.00 0.37 N ATOM 1231 CA ARG A 85 4.374 -12.044 -7.144 1.00 0.38 C ATOM 1232 C ARG A 85 4.805 -10.809 -6.337 1.00 0.36 C ATOM 1233 O ARG A 85 4.456 -9.690 -6.667 1.00 0.41 O ATOM 1234 CB ARG A 85 5.511 -12.469 -8.081 1.00 0.45 C ATOM 1235 CG ARG A 85 5.676 -13.990 -8.044 1.00 0.74 C ATOM 1236 CD ARG A 85 4.684 -14.642 -9.008 1.00 0.95 C ATOM 1237 NE ARG A 85 4.411 -16.038 -8.562 1.00 1.52 N ATOM 1238 CZ ARG A 85 5.019 -17.040 -9.142 1.00 2.01 C ATOM 1239 NH1 ARG A 85 6.255 -17.331 -8.818 1.00 2.45 N ATOM 1240 NH2 ARG A 85 4.390 -17.750 -10.044 1.00 2.56 N ATOM 0 H ARG A 85 3.282 -10.942 -8.610 1.00 0.37 H new ATOM 0 HA ARG A 85 4.142 -12.857 -6.455 1.00 0.38 H new ATOM 0 HB2 ARG A 85 5.296 -12.142 -9.099 1.00 0.45 H new ATOM 0 HB3 ARG A 85 6.441 -11.986 -7.781 1.00 0.45 H new ATOM 0 HG2 ARG A 85 6.695 -14.261 -8.318 1.00 0.74 H new ATOM 0 HG3 ARG A 85 5.509 -14.359 -7.032 1.00 0.74 H new ATOM 0 HD2 ARG A 85 3.757 -14.069 -9.037 1.00 0.95 H new ATOM 0 HD3 ARG A 85 5.090 -14.644 -10.020 1.00 0.95 H new ATOM 0 HE ARG A 85 3.750 -16.212 -7.805 1.00 1.52 H new ATOM 0 HH11 ARG A 85 6.742 -16.776 -8.114 1.00 2.45 H new ATOM 0 HH12 ARG A 85 6.730 -18.112 -9.270 1.00 2.45 H new ATOM 0 HH21 ARG A 85 3.428 -17.521 -10.293 1.00 2.56 H new ATOM 0 HH22 ARG A 85 4.862 -18.532 -10.498 1.00 2.56 H new ATOM 1254 N LEU A 86 5.561 -11.010 -5.282 1.00 0.42 N ATOM 1255 CA LEU A 86 6.021 -9.858 -4.446 1.00 0.43 C ATOM 1256 C LEU A 86 7.521 -9.623 -4.667 1.00 0.46 C ATOM 1257 O LEU A 86 8.344 -10.475 -4.379 1.00 0.65 O ATOM 1258 CB LEU A 86 5.764 -10.160 -2.965 1.00 0.53 C ATOM 1259 CG LEU A 86 5.895 -8.870 -2.148 1.00 0.67 C ATOM 1260 CD1 LEU A 86 4.505 -8.306 -1.848 1.00 0.68 C ATOM 1261 CD2 LEU A 86 6.617 -9.172 -0.833 1.00 1.11 C ATOM 0 H LEU A 86 5.879 -11.926 -4.965 1.00 0.42 H new ATOM 0 HA LEU A 86 5.469 -8.964 -4.735 1.00 0.43 H new ATOM 0 HB2 LEU A 86 4.768 -10.584 -2.837 1.00 0.53 H new ATOM 0 HB3 LEU A 86 6.475 -10.904 -2.606 1.00 0.53 H new ATOM 0 HG LEU A 86 6.466 -8.137 -2.719 1.00 0.67 H new ATOM 0 HD11 LEU A 86 4.602 -7.389 -1.267 1.00 0.68 H new ATOM 0 HD12 LEU A 86 3.990 -8.090 -2.784 1.00 0.68 H new ATOM 0 HD13 LEU A 86 3.931 -9.037 -1.279 1.00 0.68 H new ATOM 0 HD21 LEU A 86 6.711 -8.255 -0.251 1.00 1.11 H new ATOM 0 HD22 LEU A 86 6.046 -9.906 -0.265 1.00 1.11 H new ATOM 0 HD23 LEU A 86 7.609 -9.570 -1.046 1.00 1.11 H new ATOM 1273 N ILE A 87 7.870 -8.466 -5.175 1.00 0.47 N ATOM 1274 CA ILE A 87 9.308 -8.140 -5.426 1.00 0.55 C ATOM 1275 C ILE A 87 9.703 -6.914 -4.577 1.00 0.60 C ATOM 1276 O ILE A 87 8.903 -6.015 -4.391 1.00 0.56 O ATOM 1277 CB ILE A 87 9.495 -7.850 -6.931 1.00 0.58 C ATOM 1278 CG1 ILE A 87 10.987 -7.807 -7.275 1.00 0.72 C ATOM 1279 CG2 ILE A 87 8.846 -6.511 -7.312 1.00 0.72 C ATOM 1280 CD1 ILE A 87 11.168 -7.946 -8.789 1.00 0.86 C ATOM 0 H ILE A 87 7.214 -7.727 -5.429 1.00 0.47 H new ATOM 0 HA ILE A 87 9.947 -8.977 -5.145 1.00 0.55 H new ATOM 0 HB ILE A 87 9.012 -8.649 -7.494 1.00 0.58 H new ATOM 0 HG12 ILE A 87 11.423 -6.869 -6.931 1.00 0.72 H new ATOM 0 HG13 ILE A 87 11.513 -8.611 -6.760 1.00 0.72 H new ATOM 0 HG21 ILE A 87 8.990 -6.327 -8.377 1.00 0.72 H new ATOM 0 HG22 ILE A 87 7.779 -6.548 -7.091 1.00 0.72 H new ATOM 0 HG23 ILE A 87 9.308 -5.707 -6.739 1.00 0.72 H new ATOM 0 HD11 ILE A 87 12.230 -7.915 -9.033 1.00 0.86 H new ATOM 0 HD12 ILE A 87 10.747 -8.895 -9.120 1.00 0.86 H new ATOM 0 HD13 ILE A 87 10.656 -7.126 -9.293 1.00 0.86 H new ATOM 1292 N PRO A 88 10.924 -6.910 -4.082 1.00 0.75 N ATOM 1293 CA PRO A 88 11.438 -5.797 -3.256 1.00 0.82 C ATOM 1294 C PRO A 88 11.777 -4.590 -4.148 1.00 0.90 C ATOM 1295 O PRO A 88 12.930 -4.305 -4.419 1.00 1.08 O ATOM 1296 CB PRO A 88 12.687 -6.387 -2.590 1.00 1.02 C ATOM 1297 CG PRO A 88 13.133 -7.576 -3.472 1.00 1.11 C ATOM 1298 CD PRO A 88 11.900 -8.004 -4.290 1.00 0.94 C ATOM 0 HA PRO A 88 10.722 -5.429 -2.522 1.00 0.82 H new ATOM 0 HB2 PRO A 88 13.477 -5.640 -2.517 1.00 1.02 H new ATOM 0 HB3 PRO A 88 12.466 -6.718 -1.575 1.00 1.02 H new ATOM 0 HG2 PRO A 88 13.952 -7.285 -4.130 1.00 1.11 H new ATOM 0 HG3 PRO A 88 13.495 -8.400 -2.857 1.00 1.11 H new ATOM 0 HD2 PRO A 88 12.145 -8.123 -5.345 1.00 0.94 H new ATOM 0 HD3 PRO A 88 11.506 -8.960 -3.944 1.00 0.94 H new ATOM 1306 N ARG A 89 10.757 -3.890 -4.605 1.00 0.84 N ATOM 1307 CA ARG A 89 10.954 -2.695 -5.489 1.00 1.01 C ATOM 1308 C ARG A 89 11.466 -3.137 -6.867 1.00 1.14 C ATOM 1309 O ARG A 89 12.522 -3.733 -6.990 1.00 1.20 O ATOM 1310 CB ARG A 89 11.949 -1.715 -4.852 1.00 1.13 C ATOM 1311 CG ARG A 89 11.226 -0.413 -4.500 1.00 1.15 C ATOM 1312 CD ARG A 89 10.904 0.360 -5.782 1.00 1.33 C ATOM 1313 NE ARG A 89 9.759 1.283 -5.532 1.00 1.43 N ATOM 1314 CZ ARG A 89 8.538 0.814 -5.457 1.00 1.43 C ATOM 1315 NH1 ARG A 89 8.013 0.184 -6.476 1.00 1.72 N ATOM 1316 NH2 ARG A 89 7.842 0.980 -4.362 1.00 1.52 N ATOM 0 H ARG A 89 9.782 -4.103 -4.397 1.00 0.84 H new ATOM 0 HA ARG A 89 9.995 -2.191 -5.610 1.00 1.01 H new ATOM 0 HB2 ARG A 89 12.386 -2.155 -3.956 1.00 1.13 H new ATOM 0 HB3 ARG A 89 12.769 -1.513 -5.541 1.00 1.13 H new ATOM 0 HG2 ARG A 89 10.308 -0.631 -3.955 1.00 1.15 H new ATOM 0 HG3 ARG A 89 11.849 0.195 -3.844 1.00 1.15 H new ATOM 0 HD2 ARG A 89 11.777 0.926 -6.107 1.00 1.33 H new ATOM 0 HD3 ARG A 89 10.657 -0.334 -6.585 1.00 1.33 H new ATOM 0 HE ARG A 89 9.927 2.283 -5.419 1.00 1.43 H new ATOM 0 HH11 ARG A 89 8.554 0.057 -7.331 1.00 1.72 H new ATOM 0 HH12 ARG A 89 7.062 -0.180 -6.416 1.00 1.72 H new ATOM 0 HH21 ARG A 89 8.250 1.474 -3.568 1.00 1.52 H new ATOM 0 HH22 ARG A 89 6.891 0.616 -4.302 1.00 1.52 H new ATOM 1330 N ASP A 90 10.718 -2.840 -7.906 1.00 1.23 N ATOM 1331 CA ASP A 90 11.143 -3.228 -9.288 1.00 1.39 C ATOM 1332 C ASP A 90 12.410 -2.452 -9.668 1.00 1.53 C ATOM 1333 O ASP A 90 13.370 -3.020 -10.156 1.00 1.64 O ATOM 1334 CB ASP A 90 10.020 -2.902 -10.283 1.00 1.47 C ATOM 1335 CG ASP A 90 8.919 -3.969 -10.198 1.00 1.51 C ATOM 1336 OD1 ASP A 90 9.196 -5.110 -10.531 1.00 1.54 O ATOM 1337 OD2 ASP A 90 7.816 -3.622 -9.806 1.00 1.63 O ATOM 0 H ASP A 90 9.828 -2.344 -7.854 1.00 1.23 H new ATOM 0 HA ASP A 90 11.350 -4.298 -9.318 1.00 1.39 H new ATOM 0 HB2 ASP A 90 9.603 -1.919 -10.065 1.00 1.47 H new ATOM 0 HB3 ASP A 90 10.421 -2.860 -11.296 1.00 1.47 H new ATOM 1342 N ARG A 91 12.418 -1.157 -9.435 1.00 1.57 N ATOM 1343 CA ARG A 91 13.621 -0.327 -9.766 1.00 1.72 C ATOM 1344 C ARG A 91 14.544 -0.254 -8.532 1.00 1.64 C ATOM 1345 O ARG A 91 14.542 -1.147 -7.700 1.00 1.52 O ATOM 1346 CB ARG A 91 13.166 1.084 -10.182 1.00 1.83 C ATOM 1347 CG ARG A 91 12.545 1.815 -8.984 1.00 1.73 C ATOM 1348 CD ARG A 91 12.177 3.246 -9.386 1.00 1.74 C ATOM 1349 NE ARG A 91 10.764 3.281 -9.863 1.00 2.33 N ATOM 1350 CZ ARG A 91 9.794 3.513 -9.016 1.00 2.57 C ATOM 1351 NH1 ARG A 91 9.350 2.551 -8.247 1.00 3.21 N ATOM 1352 NH2 ARG A 91 9.264 4.708 -8.936 1.00 2.63 N ATOM 0 H ARG A 91 11.639 -0.639 -9.028 1.00 1.57 H new ATOM 0 HA ARG A 91 14.171 -0.778 -10.592 1.00 1.72 H new ATOM 0 HB2 ARG A 91 14.016 1.651 -10.562 1.00 1.83 H new ATOM 0 HB3 ARG A 91 12.440 1.016 -10.992 1.00 1.83 H new ATOM 0 HG2 ARG A 91 11.657 1.283 -8.642 1.00 1.73 H new ATOM 0 HG3 ARG A 91 13.248 1.830 -8.151 1.00 1.73 H new ATOM 0 HD2 ARG A 91 12.302 3.917 -8.536 1.00 1.74 H new ATOM 0 HD3 ARG A 91 12.846 3.598 -10.171 1.00 1.74 H new ATOM 0 HE ARG A 91 10.554 3.124 -10.849 1.00 2.33 H new ATOM 0 HH11 ARG A 91 9.760 1.619 -8.308 1.00 3.21 H new ATOM 0 HH12 ARG A 91 8.594 2.733 -7.587 1.00 3.21 H new ATOM 0 HH21 ARG A 91 9.607 5.459 -9.534 1.00 2.63 H new ATOM 0 HH22 ARG A 91 8.508 4.887 -8.275 1.00 2.63 H new ATOM 1366 N VAL A 92 15.333 0.797 -8.407 1.00 1.76 N ATOM 1367 CA VAL A 92 16.255 0.931 -7.227 1.00 1.70 C ATOM 1368 C VAL A 92 15.460 0.797 -5.917 1.00 1.43 C ATOM 1369 O VAL A 92 14.263 1.028 -5.877 1.00 1.33 O ATOM 1370 CB VAL A 92 16.954 2.300 -7.262 1.00 1.86 C ATOM 1371 CG1 VAL A 92 17.817 2.408 -8.524 1.00 2.17 C ATOM 1372 CG2 VAL A 92 15.907 3.422 -7.262 1.00 1.88 C ATOM 0 H VAL A 92 15.376 1.568 -9.074 1.00 1.76 H new ATOM 0 HA VAL A 92 17.003 0.140 -7.276 1.00 1.70 H new ATOM 0 HB VAL A 92 17.586 2.398 -6.380 1.00 1.86 H new ATOM 0 HG11 VAL A 92 18.311 3.380 -8.545 1.00 2.17 H new ATOM 0 HG12 VAL A 92 18.569 1.619 -8.519 1.00 2.17 H new ATOM 0 HG13 VAL A 92 17.186 2.302 -9.406 1.00 2.17 H new ATOM 0 HG21 VAL A 92 16.410 4.389 -7.287 1.00 1.88 H new ATOM 0 HG22 VAL A 92 15.267 3.323 -8.139 1.00 1.88 H new ATOM 0 HG23 VAL A 92 15.299 3.352 -6.360 1.00 1.88 H new ATOM 1382 N GLY A 93 16.126 0.420 -4.848 1.00 1.40 N ATOM 1383 CA GLY A 93 15.434 0.255 -3.533 1.00 1.24 C ATOM 1384 C GLY A 93 15.022 1.625 -2.985 1.00 1.12 C ATOM 1385 O GLY A 93 15.763 2.259 -2.256 1.00 1.28 O ATOM 0 H GLY A 93 17.126 0.219 -4.834 1.00 1.40 H new ATOM 0 HA2 GLY A 93 14.555 -0.378 -3.652 1.00 1.24 H new ATOM 0 HA3 GLY A 93 16.094 -0.246 -2.825 1.00 1.24 H new ATOM 1389 N HIS A 94 13.841 2.076 -3.335 1.00 1.05 N ATOM 1390 CA HIS A 94 13.352 3.402 -2.849 1.00 1.14 C ATOM 1391 C HIS A 94 11.865 3.302 -2.473 1.00 1.15 C ATOM 1392 O HIS A 94 11.542 3.609 -1.336 1.00 1.24 O ATOM 1393 CB HIS A 94 13.542 4.448 -3.954 1.00 1.35 C ATOM 1394 CG HIS A 94 14.577 5.449 -3.526 1.00 1.97 C ATOM 1395 ND1 HIS A 94 15.923 5.136 -3.455 1.00 2.46 N ATOM 1396 CD2 HIS A 94 14.477 6.762 -3.138 1.00 2.62 C ATOM 1397 CE1 HIS A 94 16.574 6.238 -3.040 1.00 3.17 C ATOM 1398 NE2 HIS A 94 15.740 7.257 -2.832 1.00 3.26 N ATOM 1399 OXT HIS A 94 11.074 2.919 -3.324 1.00 1.25 O ATOM 0 H HIS A 94 13.191 1.577 -3.942 1.00 1.05 H new ATOM 0 HA HIS A 94 13.920 3.699 -1.967 1.00 1.14 H new ATOM 0 HB2 HIS A 94 13.852 3.962 -4.879 1.00 1.35 H new ATOM 0 HB3 HIS A 94 12.597 4.951 -4.159 1.00 1.35 H new ATOM 0 HD2 HIS A 94 13.557 7.325 -3.079 1.00 2.62 H new ATOM 0 HE1 HIS A 94 17.643 6.291 -2.893 1.00 3.17 H new ATOM 0 HE2 HIS A 94 15.977 8.197 -2.516 1.00 3.26 H new TER 1407 HIS A 94