USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 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 GLY N :NH3+ -115:sc= 0.0325 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.111 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0333) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.69 K(o=0.69,f=-8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -1.3 (180deg=-4.49!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.134 F(o=-1.2,f=-0.13) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.0875 (180deg=-0.964) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 31 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.025) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.234 USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.114 (180deg=-1.07) USER MOD Single : A 39 SER OG : rot -35:sc= 0.764 USER MOD Single : A 40 GLN : amide:sc= -0.0875 X(o=-0.087,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.77! C(o=-6.8!,f=-8.6!) USER MOD Single : A 53 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.2) USER MOD Single : A 55 ASN : amide:sc= -0.518 K(o=-0.52,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.282 -5.077 8.952 1.00 0.00 N ATOM 2 CA GLY A 1 -24.358 -4.308 7.724 1.00 0.00 C ATOM 3 C GLY A 1 -23.336 -3.190 7.675 1.00 0.00 C ATOM 4 O GLY A 1 -22.900 -2.693 8.714 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.991 -6.051 8.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.586 -4.643 9.591 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.214 -5.089 9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.206 -4.972 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.358 -3.886 7.625 1.00 0.00 H new ATOM 8 N SER A 2 -22.951 -2.793 6.466 1.00 0.00 N ATOM 9 CA SER A 2 -21.969 -1.730 6.287 1.00 0.00 C ATOM 10 C SER A 2 -22.112 -1.085 4.912 1.00 0.00 C ATOM 11 O SER A 2 -22.725 -1.653 4.008 1.00 0.00 O ATOM 12 CB SER A 2 -20.552 -2.282 6.459 1.00 0.00 C ATOM 13 OG SER A 2 -19.583 -1.267 6.262 1.00 0.00 O ATOM 0 H SER A 2 -23.304 -3.192 5.596 1.00 0.00 H new ATOM 0 HA SER A 2 -22.150 -0.970 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.442 -2.706 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.385 -3.092 5.749 1.00 0.00 H new ATOM 0 HG SER A 2 -18.686 -1.644 6.379 1.00 0.00 H new ATOM 19 N SER A 3 -21.541 0.105 4.761 1.00 0.00 N ATOM 20 CA SER A 3 -21.607 0.831 3.498 1.00 0.00 C ATOM 21 C SER A 3 -20.211 1.220 3.021 1.00 0.00 C ATOM 22 O SER A 3 -19.822 0.917 1.894 1.00 0.00 O ATOM 23 CB SER A 3 -22.474 2.083 3.650 1.00 0.00 C ATOM 24 OG SER A 3 -22.812 2.625 2.385 1.00 0.00 O ATOM 0 H SER A 3 -21.027 0.588 5.498 1.00 0.00 H new ATOM 0 HA SER A 3 -22.056 0.174 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.383 1.835 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.941 2.830 4.238 1.00 0.00 H new ATOM 0 HG SER A 3 -23.367 3.423 2.509 1.00 0.00 H new ATOM 30 N GLY A 4 -19.462 1.893 3.889 1.00 0.00 N ATOM 31 CA GLY A 4 -18.118 2.313 3.539 1.00 0.00 C ATOM 32 C GLY A 4 -18.093 3.237 2.337 1.00 0.00 C ATOM 33 O GLY A 4 -19.043 3.275 1.556 1.00 0.00 O ATOM 0 H GLY A 4 -19.762 2.155 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.665 2.819 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.509 1.434 3.330 1.00 0.00 H new ATOM 37 N SER A 5 -17.004 3.984 2.190 1.00 0.00 N ATOM 38 CA SER A 5 -16.862 4.917 1.077 1.00 0.00 C ATOM 39 C SER A 5 -15.665 4.546 0.207 1.00 0.00 C ATOM 40 O SER A 5 -14.620 4.134 0.712 1.00 0.00 O ATOM 41 CB SER A 5 -16.704 6.346 1.599 1.00 0.00 C ATOM 42 OG SER A 5 -17.876 6.777 2.270 1.00 0.00 O ATOM 0 H SER A 5 -16.207 3.962 2.827 1.00 0.00 H new ATOM 0 HA SER A 5 -17.764 4.858 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.853 6.396 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.489 7.018 0.768 1.00 0.00 H new ATOM 0 HG SER A 5 -17.749 7.693 2.595 1.00 0.00 H new ATOM 48 N SER A 6 -15.825 4.695 -1.104 1.00 0.00 N ATOM 49 CA SER A 6 -14.760 4.372 -2.046 1.00 0.00 C ATOM 50 C SER A 6 -14.719 5.384 -3.187 1.00 0.00 C ATOM 51 O SER A 6 -15.757 5.827 -3.677 1.00 0.00 O ATOM 52 CB SER A 6 -14.956 2.962 -2.607 1.00 0.00 C ATOM 53 OG SER A 6 -14.926 1.994 -1.573 1.00 0.00 O ATOM 0 H SER A 6 -16.682 5.037 -1.538 1.00 0.00 H new ATOM 0 HA SER A 6 -13.811 4.414 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.908 2.906 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.175 2.745 -3.336 1.00 0.00 H new ATOM 0 HG SER A 6 -15.055 1.101 -1.957 1.00 0.00 H new ATOM 59 N GLY A 7 -13.510 5.747 -3.605 1.00 0.00 N ATOM 60 CA GLY A 7 -13.354 6.704 -4.684 1.00 0.00 C ATOM 61 C GLY A 7 -12.203 7.662 -4.448 1.00 0.00 C ATOM 62 O GLY A 7 -12.409 8.866 -4.297 1.00 0.00 O ATOM 0 H GLY A 7 -12.636 5.395 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.191 6.169 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.277 7.272 -4.798 1.00 0.00 H new ATOM 66 N PHE A 8 -10.987 7.126 -4.415 1.00 0.00 N ATOM 67 CA PHE A 8 -9.798 7.941 -4.192 1.00 0.00 C ATOM 68 C PHE A 8 -8.762 7.702 -5.287 1.00 0.00 C ATOM 69 O PHE A 8 -7.567 7.596 -5.014 1.00 0.00 O ATOM 70 CB PHE A 8 -9.191 7.632 -2.823 1.00 0.00 C ATOM 71 CG PHE A 8 -9.777 8.450 -1.708 1.00 0.00 C ATOM 72 CD1 PHE A 8 -9.360 9.754 -1.495 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.746 7.915 -0.874 1.00 0.00 C ATOM 74 CE1 PHE A 8 -9.898 10.509 -0.469 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.287 8.665 0.153 1.00 0.00 C ATOM 76 CZ PHE A 8 -10.863 9.964 0.355 1.00 0.00 C ATOM 0 H PHE A 8 -10.799 6.131 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 8 -10.096 8.989 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.335 6.575 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.116 7.806 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.607 10.185 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.082 6.900 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.564 11.524 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -12.040 8.236 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.285 10.552 1.156 1.00 0.00 H new ATOM 86 N LYS A 9 -9.230 7.618 -6.528 1.00 0.00 N ATOM 87 CA LYS A 9 -8.347 7.392 -7.665 1.00 0.00 C ATOM 88 C LYS A 9 -7.762 8.707 -8.170 1.00 0.00 C ATOM 89 O LYS A 9 -6.559 8.812 -8.406 1.00 0.00 O ATOM 90 CB LYS A 9 -9.105 6.692 -8.795 1.00 0.00 C ATOM 91 CG LYS A 9 -9.387 5.225 -8.520 1.00 0.00 C ATOM 92 CD LYS A 9 -10.599 5.049 -7.621 1.00 0.00 C ATOM 93 CE LYS A 9 -11.896 5.263 -8.385 1.00 0.00 C ATOM 94 NZ LYS A 9 -12.226 4.100 -9.254 1.00 0.00 N ATOM 0 H LYS A 9 -10.217 7.703 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.528 6.753 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.049 7.210 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.527 6.776 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.553 4.703 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.516 4.768 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.591 4.048 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.544 5.754 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.710 5.432 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.813 6.161 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.185 4.215 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.543 4.047 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.180 3.225 -8.694 1.00 0.00 H new ATOM 108 N ARG A 10 -8.622 9.708 -8.332 1.00 0.00 N ATOM 109 CA ARG A 10 -8.190 11.016 -8.808 1.00 0.00 C ATOM 110 C ARG A 10 -8.226 12.044 -7.681 1.00 0.00 C ATOM 111 O ARG A 10 -9.204 12.775 -7.523 1.00 0.00 O ATOM 112 CB ARG A 10 -9.077 11.480 -9.964 1.00 0.00 C ATOM 113 CG ARG A 10 -8.975 10.602 -11.201 1.00 0.00 C ATOM 114 CD ARG A 10 -9.289 11.384 -12.467 1.00 0.00 C ATOM 115 NE ARG A 10 -9.534 10.505 -13.607 1.00 0.00 N ATOM 116 CZ ARG A 10 -9.822 10.945 -14.826 1.00 0.00 C ATOM 117 NH1 ARG A 10 -9.900 12.247 -15.063 1.00 0.00 N ATOM 118 NH2 ARG A 10 -10.032 10.082 -15.812 1.00 0.00 N ATOM 0 H ARG A 10 -9.621 9.638 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.163 10.925 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.114 11.502 -9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.807 12.502 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.971 10.184 -11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.664 9.762 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.165 12.011 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.458 12.052 -12.696 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.481 9.497 -13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.739 12.913 -14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.121 12.582 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.972 9.079 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.253 10.421 -16.748 1.00 0.00 H new ATOM 132 N LYS A 11 -7.153 12.095 -6.899 1.00 0.00 N ATOM 133 CA LYS A 11 -7.060 13.033 -5.787 1.00 0.00 C ATOM 134 C LYS A 11 -5.615 13.182 -5.320 1.00 0.00 C ATOM 135 O LYS A 11 -4.924 12.191 -5.085 1.00 0.00 O ATOM 136 CB LYS A 11 -7.938 12.566 -4.624 1.00 0.00 C ATOM 137 CG LYS A 11 -9.368 13.071 -4.700 1.00 0.00 C ATOM 138 CD LYS A 11 -9.980 13.223 -3.317 1.00 0.00 C ATOM 139 CE LYS A 11 -9.417 14.434 -2.589 1.00 0.00 C ATOM 140 NZ LYS A 11 -9.880 14.495 -1.175 1.00 0.00 N ATOM 0 H LYS A 11 -6.335 11.497 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.413 14.004 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.947 11.476 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.493 12.900 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.389 14.031 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.968 12.379 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.062 13.321 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.788 12.324 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.328 14.399 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.718 15.343 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.475 15.334 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.918 14.554 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.571 13.639 -0.671 1.00 0.00 H new ATOM 154 N ALA A 12 -5.166 14.426 -5.186 1.00 0.00 N ATOM 155 CA ALA A 12 -3.806 14.703 -4.744 1.00 0.00 C ATOM 156 C ALA A 12 -3.735 14.819 -3.225 1.00 0.00 C ATOM 157 O ALA A 12 -4.477 15.589 -2.617 1.00 0.00 O ATOM 158 CB ALA A 12 -3.288 15.976 -5.397 1.00 0.00 C ATOM 0 H ALA A 12 -5.725 15.257 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.174 13.868 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.271 16.171 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.293 15.857 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.929 16.813 -5.121 1.00 0.00 H new ATOM 164 N ASN A 13 -2.839 14.048 -2.618 1.00 0.00 N ATOM 165 CA ASN A 13 -2.673 14.063 -1.169 1.00 0.00 C ATOM 166 C ASN A 13 -1.217 13.813 -0.786 1.00 0.00 C ATOM 167 O ASN A 13 -0.589 12.871 -1.270 1.00 0.00 O ATOM 168 CB ASN A 13 -3.571 13.008 -0.521 1.00 0.00 C ATOM 169 CG ASN A 13 -3.837 13.296 0.944 1.00 0.00 C ATOM 170 OD1 ASN A 13 -2.913 13.567 1.712 1.00 0.00 O ATOM 171 ND2 ASN A 13 -5.103 13.238 1.338 1.00 0.00 N ATOM 0 H ASN A 13 -2.216 13.405 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.962 15.049 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.519 12.962 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.103 12.028 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.343 13.422 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.836 13.010 0.667 1.00 0.00 H new ATOM 178 N LYS A 14 -0.687 14.663 0.087 1.00 0.00 N ATOM 179 CA LYS A 14 0.694 14.534 0.538 1.00 0.00 C ATOM 180 C LYS A 14 0.900 13.225 1.293 1.00 0.00 C ATOM 181 O LYS A 14 2.030 12.766 1.459 1.00 0.00 O ATOM 182 CB LYS A 14 1.071 15.716 1.434 1.00 0.00 C ATOM 183 CG LYS A 14 0.459 15.647 2.823 1.00 0.00 C ATOM 184 CD LYS A 14 1.354 16.304 3.860 1.00 0.00 C ATOM 185 CE LYS A 14 2.310 15.302 4.487 1.00 0.00 C ATOM 186 NZ LYS A 14 2.762 15.736 5.838 1.00 0.00 N ATOM 0 H LYS A 14 -1.193 15.449 0.496 1.00 0.00 H new ATOM 0 HA LYS A 14 1.338 14.531 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.156 15.759 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.755 16.641 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.514 16.138 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.289 14.605 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.923 17.108 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.739 16.758 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.820 14.331 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.177 15.172 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.412 15.026 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.252 16.650 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.938 15.835 6.465 1.00 0.00 H new ATOM 200 N GLU A 15 -0.198 12.628 1.745 1.00 0.00 N ATOM 201 CA GLU A 15 -0.136 11.371 2.481 1.00 0.00 C ATOM 202 C GLU A 15 0.160 10.205 1.542 1.00 0.00 C ATOM 203 O GLU A 15 0.863 9.262 1.906 1.00 0.00 O ATOM 204 CB GLU A 15 -1.451 11.122 3.222 1.00 0.00 C ATOM 205 CG GLU A 15 -1.618 11.974 4.468 1.00 0.00 C ATOM 206 CD GLU A 15 -2.750 11.494 5.356 1.00 0.00 C ATOM 207 OE1 GLU A 15 -3.735 10.947 4.816 1.00 0.00 O ATOM 208 OE2 GLU A 15 -2.652 11.666 6.589 1.00 0.00 O ATOM 0 H GLU A 15 -1.141 12.994 1.614 1.00 0.00 H new ATOM 0 HA GLU A 15 0.673 11.445 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.282 11.317 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.507 10.070 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.688 11.967 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.804 13.007 4.175 1.00 0.00 H new ATOM 215 N LEU A 16 -0.382 10.276 0.331 1.00 0.00 N ATOM 216 CA LEU A 16 -0.178 9.227 -0.662 1.00 0.00 C ATOM 217 C LEU A 16 1.307 9.032 -0.950 1.00 0.00 C ATOM 218 O LEU A 16 1.837 7.931 -0.805 1.00 0.00 O ATOM 219 CB LEU A 16 -0.919 9.570 -1.955 1.00 0.00 C ATOM 220 CG LEU A 16 -1.406 8.382 -2.786 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.860 8.843 -4.162 1.00 0.00 C ATOM 222 CD2 LEU A 16 -0.311 7.332 -2.907 1.00 0.00 C ATOM 0 H LEU A 16 -0.966 11.049 0.013 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.577 8.296 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.780 10.189 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.261 10.177 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.259 7.932 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.203 7.984 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.676 9.558 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.027 9.318 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.675 6.494 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.561 7.770 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.034 6.979 -1.914 1.00 0.00 H new ATOM 234 N GLU A 17 1.973 10.108 -1.356 1.00 0.00 N ATOM 235 CA GLU A 17 3.397 10.054 -1.663 1.00 0.00 C ATOM 236 C GLU A 17 4.157 9.285 -0.586 1.00 0.00 C ATOM 237 O GLU A 17 4.934 8.380 -0.888 1.00 0.00 O ATOM 238 CB GLU A 17 3.968 11.468 -1.792 1.00 0.00 C ATOM 239 CG GLU A 17 5.244 11.537 -2.614 1.00 0.00 C ATOM 240 CD GLU A 17 5.572 12.947 -3.065 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.095 13.350 -4.146 1.00 0.00 O ATOM 242 OE2 GLU A 17 6.306 13.647 -2.337 1.00 0.00 O ATOM 0 H GLU A 17 1.549 11.028 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 17 3.518 9.532 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.217 12.114 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.166 11.863 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.073 11.146 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.144 10.894 -3.488 1.00 0.00 H new ATOM 249 N GLU A 18 3.925 9.652 0.671 1.00 0.00 N ATOM 250 CA GLU A 18 4.588 8.997 1.792 1.00 0.00 C ATOM 251 C GLU A 18 4.436 7.482 1.704 1.00 0.00 C ATOM 252 O GLU A 18 5.409 6.739 1.840 1.00 0.00 O ATOM 253 CB GLU A 18 4.016 9.503 3.118 1.00 0.00 C ATOM 254 CG GLU A 18 3.628 10.972 3.093 1.00 0.00 C ATOM 255 CD GLU A 18 3.692 11.616 4.464 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.766 11.385 5.271 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.666 12.349 4.731 1.00 0.00 O ATOM 0 H GLU A 18 3.283 10.399 0.938 1.00 0.00 H new ATOM 0 HA GLU A 18 5.649 9.241 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.139 8.909 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.752 9.344 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.291 11.507 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.617 11.070 2.696 1.00 0.00 H new ATOM 264 N LYS A 19 3.208 7.029 1.477 1.00 0.00 N ATOM 265 CA LYS A 19 2.925 5.602 1.370 1.00 0.00 C ATOM 266 C LYS A 19 3.810 4.950 0.313 1.00 0.00 C ATOM 267 O LYS A 19 4.475 3.949 0.578 1.00 0.00 O ATOM 268 CB LYS A 19 1.451 5.377 1.026 1.00 0.00 C ATOM 269 CG LYS A 19 0.511 6.352 1.713 1.00 0.00 C ATOM 270 CD LYS A 19 -0.872 5.753 1.904 1.00 0.00 C ATOM 271 CE LYS A 19 -1.948 6.827 1.925 1.00 0.00 C ATOM 272 NZ LYS A 19 -2.438 7.148 0.556 1.00 0.00 N ATOM 0 H LYS A 19 2.392 7.630 1.363 1.00 0.00 H new ATOM 0 HA LYS A 19 3.141 5.141 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.322 5.460 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.173 4.360 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.923 6.635 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.435 7.264 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.078 5.047 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.900 5.191 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.783 6.492 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.551 7.730 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.438 8.179 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.814 6.706 -0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.405 6.784 0.439 1.00 0.00 H new ATOM 286 N ASN A 20 3.814 5.525 -0.886 1.00 0.00 N ATOM 287 CA ASN A 20 4.619 4.999 -1.983 1.00 0.00 C ATOM 288 C ASN A 20 6.100 4.990 -1.615 1.00 0.00 C ATOM 289 O ASN A 20 6.859 4.137 -2.077 1.00 0.00 O ATOM 290 CB ASN A 20 4.401 5.832 -3.247 1.00 0.00 C ATOM 291 CG ASN A 20 3.244 5.321 -4.084 1.00 0.00 C ATOM 292 OD1 ASN A 20 2.210 6.141 -4.228 1.00 0.00 O flip ATOM 293 ND2 ASN A 20 3.281 4.201 -4.595 1.00 0.00 N flip ATOM 0 H ASN A 20 3.269 6.354 -1.122 1.00 0.00 H new ATOM 0 HA ASN A 20 4.304 3.973 -2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.214 6.869 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.311 5.823 -3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.097 3.604 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.496 3.870 -5.156 1.00 0.00 H new ATOM 300 N ARG A 21 6.503 5.943 -0.782 1.00 0.00 N ATOM 301 CA ARG A 21 7.893 6.046 -0.353 1.00 0.00 C ATOM 302 C ARG A 21 8.200 5.029 0.742 1.00 0.00 C ATOM 303 O ARG A 21 9.355 4.666 0.960 1.00 0.00 O ATOM 304 CB ARG A 21 8.190 7.459 0.150 1.00 0.00 C ATOM 305 CG ARG A 21 9.583 7.615 0.739 1.00 0.00 C ATOM 306 CD ARG A 21 9.791 9.006 1.316 1.00 0.00 C ATOM 307 NE ARG A 21 11.207 9.319 1.495 1.00 0.00 N ATOM 308 CZ ARG A 21 11.657 10.521 1.836 1.00 0.00 C ATOM 309 NH1 ARG A 21 10.807 11.519 2.034 1.00 0.00 N ATOM 310 NH2 ARG A 21 12.960 10.727 1.979 1.00 0.00 N ATOM 0 H ARG A 21 5.887 6.655 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 21 8.529 5.833 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.073 8.162 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.453 7.729 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.735 6.870 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.329 7.425 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.337 9.744 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.279 9.081 2.275 1.00 0.00 H new ATOM 0 HE ARG A 21 11.887 8.573 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.805 11.365 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.155 12.441 2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.617 9.962 1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.305 11.651 2.241 1.00 0.00 H new ATOM 324 N MET A 22 7.157 4.573 1.429 1.00 0.00 N ATOM 325 CA MET A 22 7.315 3.597 2.501 1.00 0.00 C ATOM 326 C MET A 22 7.371 2.179 1.942 1.00 0.00 C ATOM 327 O MET A 22 8.021 1.302 2.511 1.00 0.00 O ATOM 328 CB MET A 22 6.166 3.718 3.503 1.00 0.00 C ATOM 329 CG MET A 22 6.341 4.857 4.494 1.00 0.00 C ATOM 330 SD MET A 22 5.562 4.520 6.085 1.00 0.00 S ATOM 331 CE MET A 22 4.036 3.744 5.558 1.00 0.00 C ATOM 0 H MET A 22 6.194 4.864 1.262 1.00 0.00 H new ATOM 0 HA MET A 22 8.256 3.804 3.011 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.233 3.862 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.073 2.781 4.052 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.405 5.041 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.917 5.769 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.298 3.814 6.357 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.658 4.250 4.670 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.222 2.695 5.326 1.00 0.00 H new ATOM 341 N LEU A 23 6.686 1.961 0.825 1.00 0.00 N ATOM 342 CA LEU A 23 6.658 0.649 0.189 1.00 0.00 C ATOM 343 C LEU A 23 8.039 0.267 -0.335 1.00 0.00 C ATOM 344 O LEU A 23 8.482 -0.869 -0.172 1.00 0.00 O ATOM 345 CB LEU A 23 5.644 0.637 -0.957 1.00 0.00 C ATOM 346 CG LEU A 23 4.173 0.728 -0.553 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.292 0.909 -1.779 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.756 -0.511 0.227 1.00 0.00 C ATOM 0 H LEU A 23 6.143 2.676 0.341 1.00 0.00 H new ATOM 0 HA LEU A 23 6.359 -0.084 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.869 1.470 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.786 -0.278 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 23 4.047 1.598 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.248 0.972 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.573 1.826 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.422 0.059 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.706 -0.429 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.898 -1.396 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.365 -0.597 1.127 1.00 0.00 H new ATOM 360 N GLN A 24 8.714 1.225 -0.962 1.00 0.00 N ATOM 361 CA GLN A 24 10.045 0.989 -1.507 1.00 0.00 C ATOM 362 C GLN A 24 11.030 0.625 -0.401 1.00 0.00 C ATOM 363 O GLN A 24 11.756 -0.363 -0.505 1.00 0.00 O ATOM 364 CB GLN A 24 10.538 2.227 -2.258 1.00 0.00 C ATOM 365 CG GLN A 24 11.171 3.274 -1.356 1.00 0.00 C ATOM 366 CD GLN A 24 11.649 4.492 -2.121 1.00 0.00 C ATOM 367 OE1 GLN A 24 10.849 5.235 -2.690 1.00 0.00 O ATOM 368 NE2 GLN A 24 12.960 4.704 -2.139 1.00 0.00 N ATOM 0 H GLN A 24 8.361 2.171 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 24 9.982 0.152 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.265 1.920 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.700 2.677 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.447 3.584 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.013 2.830 -0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.587 4.062 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.340 5.508 -2.638 1.00 0.00 H new ATOM 377 N GLU A 25 11.049 1.429 0.657 1.00 0.00 N ATOM 378 CA GLU A 25 11.946 1.191 1.781 1.00 0.00 C ATOM 379 C GLU A 25 11.623 -0.135 2.463 1.00 0.00 C ATOM 380 O GLU A 25 12.519 -0.922 2.768 1.00 0.00 O ATOM 381 CB GLU A 25 11.846 2.335 2.793 1.00 0.00 C ATOM 382 CG GLU A 25 10.435 2.575 3.303 1.00 0.00 C ATOM 383 CD GLU A 25 10.316 3.853 4.110 1.00 0.00 C ATOM 384 OE1 GLU A 25 10.099 4.921 3.499 1.00 0.00 O ATOM 385 OE2 GLU A 25 10.439 3.786 5.350 1.00 0.00 O ATOM 0 H GLU A 25 10.453 2.251 0.759 1.00 0.00 H new ATOM 0 HA GLU A 25 12.965 1.144 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.497 2.118 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.217 3.250 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.749 2.619 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.127 1.730 3.919 1.00 0.00 H new ATOM 392 N ASP A 26 10.338 -0.376 2.698 1.00 0.00 N ATOM 393 CA ASP A 26 9.896 -1.606 3.343 1.00 0.00 C ATOM 394 C ASP A 26 9.214 -2.531 2.340 1.00 0.00 C ATOM 395 O ASP A 26 7.990 -2.548 2.207 1.00 0.00 O ATOM 396 CB ASP A 26 8.940 -1.289 4.495 1.00 0.00 C ATOM 397 CG ASP A 26 9.576 -0.401 5.547 1.00 0.00 C ATOM 398 OD1 ASP A 26 10.608 -0.807 6.121 1.00 0.00 O ATOM 399 OD2 ASP A 26 9.041 0.699 5.795 1.00 0.00 O ATOM 0 H ASP A 26 9.584 0.265 2.451 1.00 0.00 H new ATOM 0 HA ASP A 26 10.775 -2.114 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.050 -0.799 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.613 -2.220 4.959 1.00 0.00 H new ATOM 404 N PRO A 27 10.023 -3.318 1.615 1.00 0.00 N ATOM 405 CA PRO A 27 9.520 -4.260 0.611 1.00 0.00 C ATOM 406 C PRO A 27 8.777 -5.434 1.238 1.00 0.00 C ATOM 407 O PRO A 27 8.220 -6.277 0.534 1.00 0.00 O ATOM 408 CB PRO A 27 10.792 -4.744 -0.090 1.00 0.00 C ATOM 409 CG PRO A 27 11.872 -4.564 0.919 1.00 0.00 C ATOM 410 CD PRO A 27 11.491 -3.350 1.721 1.00 0.00 C ATOM 0 HA PRO A 27 8.798 -3.794 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.704 -5.787 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.992 -4.165 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.959 -5.443 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.839 -4.425 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.817 -3.435 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.943 -2.444 1.318 1.00 0.00 H new ATOM 418 N VAL A 28 8.771 -5.484 2.566 1.00 0.00 N ATOM 419 CA VAL A 28 8.095 -6.555 3.288 1.00 0.00 C ATOM 420 C VAL A 28 6.604 -6.268 3.426 1.00 0.00 C ATOM 421 O VAL A 28 5.774 -7.172 3.315 1.00 0.00 O ATOM 422 CB VAL A 28 8.700 -6.756 4.690 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.910 -7.797 5.469 1.00 0.00 C ATOM 424 CG2 VAL A 28 10.164 -7.154 4.586 1.00 0.00 C ATOM 0 H VAL A 28 9.227 -4.795 3.164 1.00 0.00 H new ATOM 0 HA VAL A 28 8.235 -7.466 2.707 1.00 0.00 H new ATOM 0 HB VAL A 28 8.641 -5.811 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.352 -7.925 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.877 -7.466 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.934 -8.747 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.575 -7.292 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.249 -8.086 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.718 -6.370 4.070 1.00 0.00 H new ATOM 434 N LEU A 29 6.270 -5.006 3.669 1.00 0.00 N ATOM 435 CA LEU A 29 4.877 -4.599 3.822 1.00 0.00 C ATOM 436 C LEU A 29 4.116 -4.759 2.510 1.00 0.00 C ATOM 437 O LEU A 29 2.960 -5.184 2.498 1.00 0.00 O ATOM 438 CB LEU A 29 4.799 -3.146 4.296 1.00 0.00 C ATOM 439 CG LEU A 29 3.395 -2.552 4.410 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.804 -2.838 5.781 1.00 0.00 C ATOM 441 CD2 LEU A 29 3.426 -1.054 4.142 1.00 0.00 C ATOM 0 H LEU A 29 6.944 -4.246 3.764 1.00 0.00 H new ATOM 0 HA LEU A 29 4.415 -5.244 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.282 -3.076 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.378 -2.529 3.609 1.00 0.00 H new ATOM 0 HG LEU A 29 2.761 -3.022 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.805 -2.408 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.745 -3.916 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.438 -2.396 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.418 -0.648 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.076 -0.568 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.806 -0.872 3.137 1.00 0.00 H new ATOM 453 N PHE A 30 4.772 -4.418 1.405 1.00 0.00 N ATOM 454 CA PHE A 30 4.157 -4.526 0.087 1.00 0.00 C ATOM 455 C PHE A 30 3.410 -5.848 -0.058 1.00 0.00 C ATOM 456 O PHE A 30 2.269 -5.880 -0.518 1.00 0.00 O ATOM 457 CB PHE A 30 5.221 -4.405 -1.006 1.00 0.00 C ATOM 458 CG PHE A 30 4.649 -4.171 -2.375 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.675 -3.208 -2.578 1.00 0.00 C ATOM 460 CD2 PHE A 30 5.086 -4.916 -3.459 1.00 0.00 C ATOM 461 CE1 PHE A 30 3.147 -2.990 -3.837 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.563 -4.702 -4.720 1.00 0.00 C ATOM 463 CZ PHE A 30 3.591 -3.738 -4.909 1.00 0.00 C ATOM 0 H PHE A 30 5.729 -4.065 1.396 1.00 0.00 H new ATOM 0 HA PHE A 30 3.441 -3.711 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.895 -3.585 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.820 -5.316 -1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.324 -2.620 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.844 -5.672 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.388 -2.235 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.914 -5.288 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.180 -3.570 -5.893 1.00 0.00 H new ATOM 473 N GLN A 31 4.063 -6.936 0.337 1.00 0.00 N ATOM 474 CA GLN A 31 3.461 -8.262 0.249 1.00 0.00 C ATOM 475 C GLN A 31 2.049 -8.258 0.827 1.00 0.00 C ATOM 476 O GLN A 31 1.116 -8.780 0.216 1.00 0.00 O ATOM 477 CB GLN A 31 4.324 -9.287 0.987 1.00 0.00 C ATOM 478 CG GLN A 31 3.775 -10.703 0.923 1.00 0.00 C ATOM 479 CD GLN A 31 3.706 -11.239 -0.493 1.00 0.00 C ATOM 480 OE1 GLN A 31 4.733 -11.487 -1.126 1.00 0.00 O ATOM 481 NE2 GLN A 31 2.492 -11.422 -0.999 1.00 0.00 N ATOM 0 H GLN A 31 5.008 -6.926 0.721 1.00 0.00 H new ATOM 0 HA GLN A 31 3.402 -8.538 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.328 -9.276 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.415 -8.988 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.403 -11.359 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.778 -10.722 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.668 -11.203 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.384 -11.781 -1.947 1.00 0.00 H new ATOM 490 N LEU A 32 1.900 -7.666 2.007 1.00 0.00 N ATOM 491 CA LEU A 32 0.602 -7.594 2.668 1.00 0.00 C ATOM 492 C LEU A 32 -0.403 -6.830 1.813 1.00 0.00 C ATOM 493 O LEU A 32 -1.429 -7.375 1.406 1.00 0.00 O ATOM 494 CB LEU A 32 0.740 -6.923 4.035 1.00 0.00 C ATOM 495 CG LEU A 32 1.206 -7.822 5.181 1.00 0.00 C ATOM 496 CD1 LEU A 32 0.192 -8.926 5.438 1.00 0.00 C ATOM 497 CD2 LEU A 32 2.574 -8.413 4.873 1.00 0.00 C ATOM 0 H LEU A 32 2.662 -7.229 2.525 1.00 0.00 H new ATOM 0 HA LEU A 32 0.235 -8.611 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.442 -6.095 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.225 -6.494 4.306 1.00 0.00 H new ATOM 0 HG LEU A 32 1.289 -7.216 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.540 -9.556 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.768 -8.484 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.077 -9.531 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.890 -9.050 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.517 -9.005 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.296 -7.608 4.739 1.00 0.00 H new ATOM 509 N TYR A 33 -0.101 -5.565 1.542 1.00 0.00 N ATOM 510 CA TYR A 33 -0.978 -4.725 0.735 1.00 0.00 C ATOM 511 C TYR A 33 -1.523 -5.499 -0.462 1.00 0.00 C ATOM 512 O TYR A 33 -2.661 -5.295 -0.883 1.00 0.00 O ATOM 513 CB TYR A 33 -0.227 -3.482 0.254 1.00 0.00 C ATOM 514 CG TYR A 33 -0.959 -2.711 -0.822 1.00 0.00 C ATOM 515 CD1 TYR A 33 -1.124 -3.243 -2.095 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.486 -1.452 -0.564 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.792 -2.542 -3.080 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.156 -0.744 -1.543 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.306 -1.293 -2.800 1.00 0.00 C ATOM 520 OH TYR A 33 -2.972 -0.592 -3.778 1.00 0.00 O ATOM 0 H TYR A 33 0.745 -5.099 1.870 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.818 -4.416 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.049 -2.823 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.749 -3.782 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.723 -4.221 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.370 -1.019 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.911 -2.970 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.560 0.234 -1.326 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.406 -1.220 -4.393 1.00 0.00 H new ATOM 530 N LYS A 34 -0.700 -6.390 -1.007 1.00 0.00 N ATOM 531 CA LYS A 34 -1.097 -7.197 -2.154 1.00 0.00 C ATOM 532 C LYS A 34 -2.010 -8.341 -1.724 1.00 0.00 C ATOM 533 O LYS A 34 -3.180 -8.391 -2.103 1.00 0.00 O ATOM 534 CB LYS A 34 0.138 -7.755 -2.863 1.00 0.00 C ATOM 535 CG LYS A 34 1.003 -6.686 -3.510 1.00 0.00 C ATOM 536 CD LYS A 34 2.454 -7.126 -3.605 1.00 0.00 C ATOM 537 CE LYS A 34 2.661 -8.125 -4.734 1.00 0.00 C ATOM 538 NZ LYS A 34 2.305 -9.510 -4.320 1.00 0.00 N ATOM 0 H LYS A 34 0.246 -6.571 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.646 -6.557 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.739 -8.311 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.181 -8.464 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.623 -6.463 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.938 -5.765 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.089 -6.255 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.762 -7.574 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.054 -7.835 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.702 -8.098 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.934 -10.187 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.412 -9.603 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.319 -9.709 -4.585 1.00 0.00 H new ATOM 552 N ASP A 35 -1.467 -9.259 -0.931 1.00 0.00 N ATOM 553 CA ASP A 35 -2.234 -10.401 -0.447 1.00 0.00 C ATOM 554 C ASP A 35 -3.631 -9.973 -0.011 1.00 0.00 C ATOM 555 O ASP A 35 -4.559 -10.782 0.018 1.00 0.00 O ATOM 556 CB ASP A 35 -1.506 -11.074 0.718 1.00 0.00 C ATOM 557 CG ASP A 35 -2.244 -12.294 1.234 1.00 0.00 C ATOM 558 OD1 ASP A 35 -2.894 -12.983 0.420 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.170 -12.560 2.452 1.00 0.00 O ATOM 0 H ASP A 35 -0.499 -9.234 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.332 -11.114 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.506 -11.366 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.384 -10.357 1.529 1.00 0.00 H new ATOM 564 N LEU A 36 -3.774 -8.697 0.328 1.00 0.00 N ATOM 565 CA LEU A 36 -5.059 -8.160 0.764 1.00 0.00 C ATOM 566 C LEU A 36 -5.758 -7.426 -0.376 1.00 0.00 C ATOM 567 O LEU A 36 -6.870 -7.781 -0.767 1.00 0.00 O ATOM 568 CB LEU A 36 -4.863 -7.215 1.951 1.00 0.00 C ATOM 569 CG LEU A 36 -4.178 -7.813 3.180 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.526 -6.720 4.013 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.176 -8.600 4.016 1.00 0.00 C ATOM 0 H LEU A 36 -3.016 -8.014 0.310 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.688 -8.995 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.278 -6.359 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.839 -6.836 2.253 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.399 -8.496 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.044 -7.165 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.781 -6.200 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.286 -6.011 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.671 -9.019 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.977 -7.938 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.596 -9.408 3.417 1.00 0.00 H new ATOM 583 N VAL A 37 -5.097 -6.402 -0.906 1.00 0.00 N ATOM 584 CA VAL A 37 -5.653 -5.619 -2.003 1.00 0.00 C ATOM 585 C VAL A 37 -5.707 -6.437 -3.289 1.00 0.00 C ATOM 586 O VAL A 37 -6.757 -6.552 -3.921 1.00 0.00 O ATOM 587 CB VAL A 37 -4.831 -4.341 -2.254 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.499 -3.476 -3.312 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.644 -3.566 -0.959 1.00 0.00 C ATOM 0 H VAL A 37 -4.176 -6.095 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.665 -5.339 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.847 -4.629 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.904 -2.578 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.576 -4.036 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.496 -3.194 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.061 -2.666 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.618 -3.287 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.118 -4.189 -0.235 1.00 0.00 H new ATOM 599 N VAL A 38 -4.567 -7.004 -3.671 1.00 0.00 N ATOM 600 CA VAL A 38 -4.484 -7.813 -4.881 1.00 0.00 C ATOM 601 C VAL A 38 -5.417 -9.017 -4.802 1.00 0.00 C ATOM 602 O VAL A 38 -5.932 -9.483 -5.819 1.00 0.00 O ATOM 603 CB VAL A 38 -3.046 -8.307 -5.128 1.00 0.00 C ATOM 604 CG1 VAL A 38 -3.025 -9.362 -6.224 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.136 -7.141 -5.481 1.00 0.00 C ATOM 0 H VAL A 38 -3.688 -6.918 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.789 -7.175 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.674 -8.763 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.001 -9.699 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.643 -10.209 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.416 -8.935 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.124 -7.508 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.503 -6.654 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.128 -6.424 -4.660 1.00 0.00 H new ATOM 615 N SER A 39 -5.629 -9.516 -3.589 1.00 0.00 N ATOM 616 CA SER A 39 -6.498 -10.668 -3.378 1.00 0.00 C ATOM 617 C SER A 39 -7.967 -10.263 -3.462 1.00 0.00 C ATOM 618 O SER A 39 -8.859 -11.075 -3.219 1.00 0.00 O ATOM 619 CB SER A 39 -6.211 -11.307 -2.018 1.00 0.00 C ATOM 620 OG SER A 39 -6.999 -12.469 -1.824 1.00 0.00 O ATOM 0 H SER A 39 -5.211 -9.141 -2.737 1.00 0.00 H new ATOM 0 HA SER A 39 -6.294 -11.395 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.154 -11.565 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.416 -10.588 -1.225 1.00 0.00 H new ATOM 0 HG SER A 39 -7.876 -12.343 -2.242 1.00 0.00 H new ATOM 626 N GLN A 40 -8.208 -9.003 -3.809 1.00 0.00 N ATOM 627 CA GLN A 40 -9.568 -8.491 -3.925 1.00 0.00 C ATOM 628 C GLN A 40 -10.302 -8.587 -2.592 1.00 0.00 C ATOM 629 O GLN A 40 -11.506 -8.840 -2.551 1.00 0.00 O ATOM 630 CB GLN A 40 -10.336 -9.261 -5.001 1.00 0.00 C ATOM 631 CG GLN A 40 -9.590 -9.371 -6.320 1.00 0.00 C ATOM 632 CD GLN A 40 -9.835 -8.183 -7.230 1.00 0.00 C ATOM 633 OE1 GLN A 40 -10.541 -8.290 -8.233 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.251 -7.042 -6.884 1.00 0.00 N ATOM 0 H GLN A 40 -7.480 -8.319 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.510 -7.441 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.555 -10.263 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.293 -8.769 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.522 -9.458 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.895 -10.284 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.674 -6.999 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.379 -6.209 -7.458 1.00 0.00 H new ATOM 643 N VAL A 41 -9.568 -8.383 -1.502 1.00 0.00 N ATOM 644 CA VAL A 41 -10.150 -8.447 -0.167 1.00 0.00 C ATOM 645 C VAL A 41 -10.513 -7.056 0.341 1.00 0.00 C ATOM 646 O VAL A 41 -11.587 -6.851 0.906 1.00 0.00 O ATOM 647 CB VAL A 41 -9.186 -9.111 0.834 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.826 -9.205 2.211 1.00 0.00 C ATOM 649 CG2 VAL A 41 -8.767 -10.487 0.337 1.00 0.00 C ATOM 0 H VAL A 41 -8.570 -8.172 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.054 -9.050 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.293 -8.492 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.130 -9.677 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.071 -8.204 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.736 -9.801 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.086 -10.942 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.649 -11.117 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.265 -10.389 -0.626 1.00 0.00 H new ATOM 659 N ILE A 42 -9.610 -6.103 0.136 1.00 0.00 N ATOM 660 CA ILE A 42 -9.836 -4.730 0.571 1.00 0.00 C ATOM 661 C ILE A 42 -9.343 -3.734 -0.473 1.00 0.00 C ATOM 662 O ILE A 42 -8.753 -4.118 -1.482 1.00 0.00 O ATOM 663 CB ILE A 42 -9.133 -4.442 1.911 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.620 -4.608 1.765 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.670 -5.361 2.999 1.00 0.00 C ATOM 666 CD1 ILE A 42 -6.828 -3.934 2.864 1.00 0.00 C ATOM 0 H ILE A 42 -8.715 -6.256 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.912 -4.613 0.701 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.340 -3.411 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.379 -5.671 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.309 -4.201 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.164 -5.146 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.741 -5.197 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.490 -6.399 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.763 -4.094 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.040 -2.865 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.110 -4.358 3.828 1.00 0.00 H new ATOM 678 N SER A 43 -9.588 -2.452 -0.221 1.00 0.00 N ATOM 679 CA SER A 43 -9.171 -1.399 -1.140 1.00 0.00 C ATOM 680 C SER A 43 -7.877 -0.746 -0.667 1.00 0.00 C ATOM 681 O SER A 43 -7.552 -0.774 0.520 1.00 0.00 O ATOM 682 CB SER A 43 -10.270 -0.343 -1.272 1.00 0.00 C ATOM 683 OG SER A 43 -11.461 -0.908 -1.794 1.00 0.00 O ATOM 0 H SER A 43 -10.073 -2.117 0.612 1.00 0.00 H new ATOM 0 HA SER A 43 -8.993 -1.852 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.471 0.101 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.929 0.461 -1.924 1.00 0.00 H new ATOM 0 HG SER A 43 -12.148 -0.213 -1.867 1.00 0.00 H new ATOM 689 N ALA A 44 -7.141 -0.158 -1.604 1.00 0.00 N ATOM 690 CA ALA A 44 -5.882 0.505 -1.284 1.00 0.00 C ATOM 691 C ALA A 44 -6.073 1.541 -0.181 1.00 0.00 C ATOM 692 O ALA A 44 -5.190 1.744 0.651 1.00 0.00 O ATOM 693 CB ALA A 44 -5.297 1.156 -2.528 1.00 0.00 C ATOM 0 H ALA A 44 -7.395 -0.127 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.184 -0.249 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.358 1.647 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.115 0.394 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.999 1.894 -2.917 1.00 0.00 H new ATOM 699 N GLU A 45 -7.231 2.195 -0.184 1.00 0.00 N ATOM 700 CA GLU A 45 -7.535 3.212 0.816 1.00 0.00 C ATOM 701 C GLU A 45 -7.747 2.580 2.188 1.00 0.00 C ATOM 702 O GLU A 45 -7.477 3.199 3.216 1.00 0.00 O ATOM 703 CB GLU A 45 -8.780 4.003 0.408 1.00 0.00 C ATOM 704 CG GLU A 45 -8.479 5.190 -0.492 1.00 0.00 C ATOM 705 CD GLU A 45 -7.714 6.286 0.224 1.00 0.00 C ATOM 706 OE1 GLU A 45 -8.140 6.683 1.329 1.00 0.00 O ATOM 707 OE2 GLU A 45 -6.689 6.746 -0.321 1.00 0.00 O ATOM 0 H GLU A 45 -7.973 2.039 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.685 3.892 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.472 3.335 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.285 4.358 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.902 4.852 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.415 5.596 -0.876 1.00 0.00 H new ATOM 714 N GLU A 46 -8.234 1.343 2.194 1.00 0.00 N ATOM 715 CA GLU A 46 -8.484 0.627 3.440 1.00 0.00 C ATOM 716 C GLU A 46 -7.175 0.170 4.077 1.00 0.00 C ATOM 717 O GLU A 46 -6.986 0.289 5.288 1.00 0.00 O ATOM 718 CB GLU A 46 -9.389 -0.581 3.188 1.00 0.00 C ATOM 719 CG GLU A 46 -10.047 -1.122 4.446 1.00 0.00 C ATOM 720 CD GLU A 46 -10.970 -0.113 5.102 1.00 0.00 C ATOM 721 OE1 GLU A 46 -10.476 0.715 5.895 1.00 0.00 O ATOM 722 OE2 GLU A 46 -12.186 -0.153 4.821 1.00 0.00 O ATOM 0 H GLU A 46 -8.463 0.816 1.351 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.984 1.310 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.164 -0.301 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.802 -1.374 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.614 -2.019 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.275 -1.418 5.156 1.00 0.00 H new ATOM 729 N PHE A 47 -6.273 -0.353 3.253 1.00 0.00 N ATOM 730 CA PHE A 47 -4.982 -0.829 3.735 1.00 0.00 C ATOM 731 C PHE A 47 -4.280 0.245 4.561 1.00 0.00 C ATOM 732 O PHE A 47 -3.942 0.026 5.725 1.00 0.00 O ATOM 733 CB PHE A 47 -4.096 -1.244 2.559 1.00 0.00 C ATOM 734 CG PHE A 47 -2.756 -1.780 2.977 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.591 -3.127 3.255 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.663 -0.937 3.093 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.360 -3.624 3.640 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.430 -1.428 3.476 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.278 -2.773 3.752 1.00 0.00 C ATOM 0 H PHE A 47 -6.413 -0.458 2.248 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.158 -1.696 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.615 -2.003 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.947 -0.384 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.434 -3.797 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.776 0.116 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.244 -4.676 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.415 -0.761 3.560 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.685 -3.158 4.055 1.00 0.00 H new ATOM 749 N TRP A 48 -4.063 1.405 3.951 1.00 0.00 N ATOM 750 CA TRP A 48 -3.401 2.513 4.629 1.00 0.00 C ATOM 751 C TRP A 48 -4.313 3.129 5.684 1.00 0.00 C ATOM 752 O TRP A 48 -3.874 3.450 6.787 1.00 0.00 O ATOM 753 CB TRP A 48 -2.979 3.579 3.616 1.00 0.00 C ATOM 754 CG TRP A 48 -2.045 3.061 2.565 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.326 2.865 1.243 1.00 0.00 C ATOM 756 CD2 TRP A 48 -0.679 2.674 2.748 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.218 2.378 0.593 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.193 2.253 1.494 1.00 0.00 C ATOM 759 CE3 TRP A 48 0.182 2.643 3.848 1.00 0.00 C ATOM 760 CZ2 TRP A 48 1.113 1.806 1.313 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.479 2.200 3.667 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.934 1.787 2.408 1.00 0.00 C ATOM 0 H TRP A 48 -4.336 1.602 2.988 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.513 2.123 5.127 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.869 3.984 3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.499 4.403 4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.280 3.064 0.777 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.167 2.147 -0.399 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.160 2.960 4.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.466 1.486 0.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.153 2.172 4.510 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.953 1.447 2.299 1.00 0.00 H new ATOM 773 N ALA A 49 -5.586 3.292 5.337 1.00 0.00 N ATOM 774 CA ALA A 49 -6.561 3.868 6.255 1.00 0.00 C ATOM 775 C ALA A 49 -6.278 3.444 7.692 1.00 0.00 C ATOM 776 O ALA A 49 -6.338 4.258 8.613 1.00 0.00 O ATOM 777 CB ALA A 49 -7.970 3.463 5.851 1.00 0.00 C ATOM 0 H ALA A 49 -5.966 3.033 4.426 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.478 4.953 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.687 3.900 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.176 3.821 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.057 2.377 5.875 1.00 0.00 H new ATOM 783 N ASN A 50 -5.969 2.165 7.877 1.00 0.00 N ATOM 784 CA ASN A 50 -5.679 1.633 9.204 1.00 0.00 C ATOM 785 C ASN A 50 -4.258 1.986 9.632 1.00 0.00 C ATOM 786 O ASN A 50 -4.038 2.491 10.733 1.00 0.00 O ATOM 787 CB ASN A 50 -5.865 0.114 9.219 1.00 0.00 C ATOM 788 CG ASN A 50 -5.152 -0.567 8.067 1.00 0.00 C ATOM 789 OD1 ASN A 50 -3.927 -0.691 8.066 1.00 0.00 O ATOM 790 ND2 ASN A 50 -5.918 -1.013 7.078 1.00 0.00 N ATOM 0 H ASN A 50 -5.913 1.478 7.125 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.376 2.085 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.491 -0.286 10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.929 -0.120 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.495 -1.480 6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.929 -0.889 7.120 1.00 0.00 H new ATOM 797 N ARG A 51 -3.297 1.718 8.754 1.00 0.00 N ATOM 798 CA ARG A 51 -1.897 2.007 9.041 1.00 0.00 C ATOM 799 C ARG A 51 -1.713 3.471 9.429 1.00 0.00 C ATOM 800 O ARG A 51 -1.286 3.780 10.543 1.00 0.00 O ATOM 801 CB ARG A 51 -1.027 1.676 7.827 1.00 0.00 C ATOM 802 CG ARG A 51 -0.553 0.232 7.792 1.00 0.00 C ATOM 803 CD ARG A 51 0.524 -0.026 8.834 1.00 0.00 C ATOM 804 NE ARG A 51 1.800 0.581 8.465 1.00 0.00 N ATOM 805 CZ ARG A 51 2.913 0.442 9.176 1.00 0.00 C ATOM 806 NH1 ARG A 51 2.907 -0.281 10.288 1.00 0.00 N ATOM 807 NH2 ARG A 51 4.035 1.025 8.775 1.00 0.00 N ATOM 0 H ARG A 51 -3.462 1.301 7.838 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.588 1.385 9.881 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.591 1.886 6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.159 2.335 7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.398 -0.434 7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.165 -0.001 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.199 0.370 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.657 -1.101 8.960 1.00 0.00 H new ATOM 0 HE ARG A 51 1.838 1.143 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.046 -0.732 10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.763 -0.386 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.043 1.581 7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.889 0.918 9.322 1.00 0.00 H new ATOM 821 N LEU A 52 -2.036 4.368 8.504 1.00 0.00 N ATOM 822 CA LEU A 52 -1.906 5.800 8.749 1.00 0.00 C ATOM 823 C LEU A 52 -2.760 6.229 9.938 1.00 0.00 C ATOM 824 O LEU A 52 -3.920 5.838 10.054 1.00 0.00 O ATOM 825 CB LEU A 52 -2.312 6.589 7.503 1.00 0.00 C ATOM 826 CG LEU A 52 -1.261 6.686 6.397 1.00 0.00 C ATOM 827 CD1 LEU A 52 -0.084 7.535 6.852 1.00 0.00 C ATOM 828 CD2 LEU A 52 -0.792 5.298 5.985 1.00 0.00 C ATOM 0 H LEU A 52 -2.390 4.129 7.578 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.862 6.011 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.209 6.132 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.582 7.600 7.810 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.716 7.167 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.654 7.593 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.432 8.538 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.371 7.083 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.044 5.386 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.355 4.791 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.641 4.721 5.617 1.00 0.00 H new ATOM 840 N ASN A 53 -2.177 7.038 10.817 1.00 0.00 N ATOM 841 CA ASN A 53 -2.885 7.522 11.997 1.00 0.00 C ATOM 842 C ASN A 53 -3.381 8.949 11.786 1.00 0.00 C ATOM 843 O ASN A 53 -2.705 9.912 12.147 1.00 0.00 O ATOM 844 CB ASN A 53 -1.974 7.462 13.225 1.00 0.00 C ATOM 845 CG ASN A 53 -0.527 7.764 12.886 1.00 0.00 C ATOM 846 OD1 ASN A 53 0.174 6.932 12.310 1.00 0.00 O ATOM 847 ND2 ASN A 53 -0.073 8.960 13.243 1.00 0.00 N ATOM 0 H ASN A 53 -1.217 7.372 10.735 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.748 6.877 12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.326 8.175 13.971 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.040 6.471 13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.892 9.220 13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.690 9.618 13.719 1.00 0.00 H new ATOM 854 N VAL A 54 -4.566 9.077 11.199 1.00 0.00 N ATOM 855 CA VAL A 54 -5.154 10.386 10.941 1.00 0.00 C ATOM 856 C VAL A 54 -6.200 10.736 11.994 1.00 0.00 C ATOM 857 O VAL A 54 -7.246 10.093 12.082 1.00 0.00 O ATOM 858 CB VAL A 54 -5.806 10.445 9.547 1.00 0.00 C ATOM 859 CG1 VAL A 54 -6.713 9.243 9.331 1.00 0.00 C ATOM 860 CG2 VAL A 54 -6.578 11.744 9.374 1.00 0.00 C ATOM 0 H VAL A 54 -5.138 8.290 10.893 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.341 11.111 10.984 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.018 10.415 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.165 9.302 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.128 8.327 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.497 9.238 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.032 11.768 8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.358 11.807 10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.898 12.589 9.482 1.00 0.00 H new ATOM 870 N ASN A 55 -5.911 11.759 12.791 1.00 0.00 N ATOM 871 CA ASN A 55 -6.827 12.195 13.839 1.00 0.00 C ATOM 872 C ASN A 55 -7.958 13.038 13.257 1.00 0.00 C ATOM 873 O ASN A 55 -9.131 12.679 13.361 1.00 0.00 O ATOM 874 CB ASN A 55 -6.074 12.996 14.903 1.00 0.00 C ATOM 875 CG ASN A 55 -6.904 13.222 16.151 1.00 0.00 C ATOM 876 OD1 ASN A 55 -8.124 13.373 16.081 1.00 0.00 O ATOM 877 ND2 ASN A 55 -6.245 13.247 17.304 1.00 0.00 N ATOM 0 H ASN A 55 -5.050 12.302 12.731 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.260 11.308 14.301 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.158 12.469 15.170 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.778 13.959 14.487 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.751 13.396 18.177 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.233 13.117 17.316 1.00 0.00 H new ATOM 884 N SER A 56 -7.597 14.160 12.643 1.00 0.00 N ATOM 885 CA SER A 56 -8.581 15.056 12.047 1.00 0.00 C ATOM 886 C SER A 56 -7.895 16.187 11.287 1.00 0.00 C ATOM 887 O SER A 56 -6.911 16.758 11.756 1.00 0.00 O ATOM 888 CB SER A 56 -9.496 15.634 13.127 1.00 0.00 C ATOM 889 OG SER A 56 -8.796 16.547 13.955 1.00 0.00 O ATOM 0 H SER A 56 -6.630 14.470 12.545 1.00 0.00 H new ATOM 0 HA SER A 56 -9.181 14.480 11.343 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.342 16.138 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.902 14.825 13.735 1.00 0.00 H new ATOM 0 HG SER A 56 -9.404 16.903 14.636 1.00 0.00 H new ATOM 895 N GLY A 57 -8.423 16.506 10.109 1.00 0.00 N ATOM 896 CA GLY A 57 -7.850 17.567 9.302 1.00 0.00 C ATOM 897 C GLY A 57 -8.775 18.011 8.186 1.00 0.00 C ATOM 898 O GLY A 57 -9.550 17.223 7.644 1.00 0.00 O ATOM 0 H GLY A 57 -9.237 16.048 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.620 18.420 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.908 17.225 8.874 1.00 0.00 H new ATOM 902 N PRO A 58 -8.700 19.301 7.828 1.00 0.00 N ATOM 903 CA PRO A 58 -9.531 19.878 6.767 1.00 0.00 C ATOM 904 C PRO A 58 -9.139 19.370 5.383 1.00 0.00 C ATOM 905 O PRO A 58 -9.812 19.657 4.393 1.00 0.00 O ATOM 906 CB PRO A 58 -9.260 21.380 6.881 1.00 0.00 C ATOM 907 CG PRO A 58 -7.911 21.476 7.504 1.00 0.00 C ATOM 908 CD PRO A 58 -7.798 20.297 8.431 1.00 0.00 C ATOM 0 HA PRO A 58 -10.581 19.611 6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.279 21.861 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.015 21.873 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.128 21.453 6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.799 22.413 8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.774 19.928 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.103 20.553 9.446 1.00 0.00 H new ATOM 916 N SER A 59 -8.048 18.614 5.322 1.00 0.00 N ATOM 917 CA SER A 59 -7.565 18.068 4.059 1.00 0.00 C ATOM 918 C SER A 59 -8.728 17.606 3.187 1.00 0.00 C ATOM 919 O SER A 59 -8.928 18.109 2.081 1.00 0.00 O ATOM 920 CB SER A 59 -6.609 16.901 4.315 1.00 0.00 C ATOM 921 OG SER A 59 -5.594 17.266 5.233 1.00 0.00 O ATOM 0 H SER A 59 -7.481 18.365 6.133 1.00 0.00 H new ATOM 0 HA SER A 59 -7.029 18.857 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.166 16.049 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.157 16.584 3.375 1.00 0.00 H new ATOM 0 HG SER A 59 -4.997 16.503 5.381 1.00 0.00 H new ATOM 927 N SER A 60 -9.494 16.644 3.693 1.00 0.00 N ATOM 928 CA SER A 60 -10.636 16.110 2.960 1.00 0.00 C ATOM 929 C SER A 60 -11.853 17.016 3.116 1.00 0.00 C ATOM 930 O SER A 60 -12.391 17.169 4.212 1.00 0.00 O ATOM 931 CB SER A 60 -10.969 14.700 3.450 1.00 0.00 C ATOM 932 OG SER A 60 -11.671 13.969 2.460 1.00 0.00 O ATOM 0 H SER A 60 -9.344 16.219 4.608 1.00 0.00 H new ATOM 0 HA SER A 60 -10.371 16.066 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.050 14.175 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.570 14.759 4.357 1.00 0.00 H new ATOM 0 HG SER A 60 -11.871 13.071 2.797 1.00 0.00 H new ATOM 938 N GLY A 61 -12.283 17.615 2.010 1.00 0.00 N ATOM 939 CA GLY A 61 -13.434 18.498 2.044 1.00 0.00 C ATOM 940 C GLY A 61 -14.359 18.292 0.860 1.00 0.00 C ATOM 941 O GLY A 61 -15.114 19.191 0.490 1.00 0.00 O ATOM 0 H GLY A 61 -11.855 17.505 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.989 18.331 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.093 19.533 2.059 1.00 0.00 H new TER 945 GLY A 61