USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 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 46 HIS : no HD1:sc= -2.39 K(o=-4.3,f=-3.3) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= -1.94! USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc=0.000481 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.305 K(o=-0.3,f=-3.8!) USER MOD Single : A 9 THR OG1 : rot 18:sc= 0.512 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -1.09! USER MOD Single : A 18 SER OG : rot -139:sc= -0.165! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 25 SER OG : rot -34:sc= -1.22! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0169) USER MOD Single : A 33 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.18) USER MOD Single : A 36 ASN : amide:sc= -5.96! C(o=-6!,f=-16!) USER MOD Single : A 37 ASN : amide:sc= -6.89! C(o=-6.9!,f=-5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -55:sc= -0.165 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -86:sc= 0.615 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.051 15.543 -3.579 1.00 0.00 N ATOM 2 CA THR A 9 15.587 14.314 -2.930 1.00 0.00 C ATOM 3 C THR A 9 14.548 13.194 -3.023 1.00 0.00 C ATOM 4 O THR A 9 13.364 13.418 -2.870 1.00 0.00 O ATOM 5 CB THR A 9 15.891 14.606 -1.458 1.00 0.00 C ATOM 6 OG1 THR A 9 16.439 15.911 -1.340 1.00 0.00 O ATOM 7 CG2 THR A 9 16.894 13.579 -0.930 1.00 0.00 C ATOM 0 HA THR A 9 16.502 14.005 -3.436 1.00 0.00 H new ATOM 0 HB THR A 9 14.971 14.544 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.237 16.425 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.110 13.787 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.472 12.578 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.815 13.639 -1.509 1.00 0.00 H new ATOM 17 N PHE A 10 14.983 11.991 -3.274 1.00 0.00 N ATOM 18 CA PHE A 10 14.020 10.858 -3.378 1.00 0.00 C ATOM 19 C PHE A 10 13.970 10.107 -2.046 1.00 0.00 C ATOM 20 O PHE A 10 14.816 10.283 -1.191 1.00 0.00 O ATOM 21 CB PHE A 10 14.472 9.903 -4.486 1.00 0.00 C ATOM 22 CG PHE A 10 13.925 10.386 -5.830 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.900 11.736 -6.132 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.449 9.482 -6.761 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.408 12.174 -7.344 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.957 9.919 -7.974 1.00 0.00 C ATOM 27 CZ PHE A 10 12.936 11.265 -8.265 1.00 0.00 C ATOM 0 H PHE A 10 15.963 11.743 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 10 13.029 11.245 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.561 9.857 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.117 8.894 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.269 12.453 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.462 8.425 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.393 13.230 -7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.588 9.205 -8.696 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.550 11.607 -9.214 1.00 0.00 H new ATOM 37 N VAL A 11 12.985 9.273 -1.863 1.00 0.00 N ATOM 38 CA VAL A 11 12.879 8.510 -0.589 1.00 0.00 C ATOM 39 C VAL A 11 12.668 7.028 -0.904 1.00 0.00 C ATOM 40 O VAL A 11 11.925 6.675 -1.798 1.00 0.00 O ATOM 41 CB VAL A 11 11.691 9.033 0.220 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.644 8.322 1.575 1.00 0.00 C ATOM 43 CG2 VAL A 11 11.847 10.539 0.439 1.00 0.00 C ATOM 0 H VAL A 11 12.247 9.087 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 11 13.795 8.634 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 11 10.767 8.839 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.798 8.694 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.533 7.249 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.568 8.516 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.001 10.912 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.771 10.734 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.881 11.045 -0.526 1.00 0.00 H new ATOM 53 N ALA A 12 13.316 6.157 -0.180 1.00 0.00 N ATOM 54 CA ALA A 12 13.146 4.702 -0.448 1.00 0.00 C ATOM 55 C ALA A 12 11.742 4.266 -0.029 1.00 0.00 C ATOM 56 O ALA A 12 11.365 4.354 1.122 1.00 0.00 O ATOM 57 CB ALA A 12 14.184 3.904 0.343 1.00 0.00 C ATOM 0 H ALA A 12 13.953 6.389 0.582 1.00 0.00 H new ATOM 0 HA ALA A 12 13.284 4.515 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.055 2.840 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.186 4.211 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.052 4.091 1.409 1.00 0.00 H new ATOM 63 N LEU A 13 10.969 3.800 -0.965 1.00 0.00 N ATOM 64 CA LEU A 13 9.588 3.352 -0.649 1.00 0.00 C ATOM 65 C LEU A 13 9.618 1.900 -0.173 1.00 0.00 C ATOM 66 O LEU A 13 8.795 1.478 0.615 1.00 0.00 O ATOM 67 CB LEU A 13 8.733 3.437 -1.912 1.00 0.00 C ATOM 68 CG LEU A 13 7.803 4.644 -1.828 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.839 4.616 -3.014 1.00 0.00 C ATOM 70 CD2 LEU A 13 7.008 4.588 -0.522 1.00 0.00 C ATOM 0 H LEU A 13 11.237 3.709 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 13 9.170 3.988 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.373 3.520 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.149 2.524 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 13 8.390 5.562 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.171 5.476 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.406 4.654 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.252 3.698 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.344 5.450 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.417 3.673 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.696 4.601 0.323 1.00 0.00 H new ATOM 82 N TYR A 14 10.561 1.133 -0.645 1.00 0.00 N ATOM 83 CA TYR A 14 10.635 -0.291 -0.216 1.00 0.00 C ATOM 84 C TYR A 14 12.076 -0.666 0.130 1.00 0.00 C ATOM 85 O TYR A 14 12.960 0.167 0.163 1.00 0.00 O ATOM 86 CB TYR A 14 10.160 -1.173 -1.364 1.00 0.00 C ATOM 87 CG TYR A 14 8.658 -0.993 -1.553 1.00 0.00 C ATOM 88 CD1 TYR A 14 8.171 0.080 -2.266 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.772 -1.899 -1.015 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.812 0.247 -2.441 1.00 0.00 C ATOM 91 CE2 TYR A 14 6.412 -1.736 -1.188 1.00 0.00 C ATOM 92 CZ TYR A 14 5.922 -0.662 -1.902 1.00 0.00 C ATOM 93 OH TYR A 14 4.562 -0.498 -2.076 1.00 0.00 O ATOM 0 H TYR A 14 11.280 1.429 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 14 10.008 -0.434 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.687 -0.910 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.389 -2.218 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.858 0.797 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.144 -2.743 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.443 1.093 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.727 -2.454 -0.762 1.00 0.00 H new ATOM 0 HH TYR A 14 4.085 -1.230 -1.632 1.00 0.00 H new ATOM 103 N ASP A 15 12.311 -1.921 0.391 1.00 0.00 N ATOM 104 CA ASP A 15 13.688 -2.374 0.736 1.00 0.00 C ATOM 105 C ASP A 15 14.166 -3.349 -0.340 1.00 0.00 C ATOM 106 O ASP A 15 14.436 -4.502 -0.066 1.00 0.00 O ATOM 107 CB ASP A 15 13.690 -3.080 2.099 1.00 0.00 C ATOM 108 CG ASP A 15 12.422 -2.727 2.883 1.00 0.00 C ATOM 109 OD1 ASP A 15 12.241 -1.559 3.184 1.00 0.00 O ATOM 110 OD2 ASP A 15 11.655 -3.631 3.168 1.00 0.00 O ATOM 0 H ASP A 15 11.605 -2.657 0.380 1.00 0.00 H new ATOM 0 HA ASP A 15 14.352 -1.511 0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.749 -4.159 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.572 -2.784 2.668 1.00 0.00 H new ATOM 115 N TYR A 16 14.253 -2.893 -1.566 1.00 0.00 N ATOM 116 CA TYR A 16 14.711 -3.776 -2.686 1.00 0.00 C ATOM 117 C TYR A 16 15.765 -4.767 -2.183 1.00 0.00 C ATOM 118 O TYR A 16 16.629 -4.429 -1.399 1.00 0.00 O ATOM 119 CB TYR A 16 15.314 -2.908 -3.796 1.00 0.00 C ATOM 120 CG TYR A 16 16.094 -3.790 -4.777 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.476 -4.845 -5.416 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.428 -3.540 -5.034 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.180 -5.639 -6.299 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.131 -4.334 -5.916 1.00 0.00 C ATOM 125 CZ TYR A 16 17.513 -5.389 -6.556 1.00 0.00 C ATOM 126 OH TYR A 16 18.217 -6.183 -7.439 1.00 0.00 O ATOM 0 H TYR A 16 14.024 -1.938 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 16 13.859 -4.335 -3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.523 -2.373 -4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.974 -2.156 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.433 -5.051 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.924 -2.717 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.684 -6.462 -6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.174 -4.128 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 16 19.141 -5.864 -7.501 1.00 0.00 H new ATOM 136 N GLU A 17 15.695 -5.992 -2.632 1.00 0.00 N ATOM 137 CA GLU A 17 16.686 -7.011 -2.188 1.00 0.00 C ATOM 138 C GLU A 17 17.493 -7.498 -3.394 1.00 0.00 C ATOM 139 O GLU A 17 17.078 -8.386 -4.112 1.00 0.00 O ATOM 140 CB GLU A 17 15.949 -8.195 -1.556 1.00 0.00 C ATOM 141 CG GLU A 17 16.900 -8.951 -0.625 1.00 0.00 C ATOM 142 CD GLU A 17 16.102 -9.948 0.216 1.00 0.00 C ATOM 143 OE1 GLU A 17 15.128 -10.477 -0.294 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.477 -10.165 1.357 1.00 0.00 O ATOM 0 H GLU A 17 14.992 -6.330 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 17 17.360 -6.568 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.082 -7.841 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.577 -8.862 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.657 -9.475 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.425 -8.250 0.024 1.00 0.00 H new ATOM 151 N SER A 18 18.642 -6.924 -3.623 1.00 0.00 N ATOM 152 CA SER A 18 19.473 -7.354 -4.783 1.00 0.00 C ATOM 153 C SER A 18 19.906 -8.808 -4.586 1.00 0.00 C ATOM 154 O SER A 18 19.613 -9.423 -3.580 1.00 0.00 O ATOM 155 CB SER A 18 20.711 -6.462 -4.882 1.00 0.00 C ATOM 156 OG SER A 18 21.818 -7.236 -5.317 1.00 0.00 O ATOM 0 H SER A 18 19.042 -6.176 -3.057 1.00 0.00 H new ATOM 0 HA SER A 18 18.890 -7.268 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.529 -5.645 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.927 -6.012 -3.913 1.00 0.00 H new ATOM 0 HG SER A 18 22.619 -6.969 -4.820 1.00 0.00 H new ATOM 162 N ARG A 19 20.604 -9.364 -5.539 1.00 0.00 N ATOM 163 CA ARG A 19 21.054 -10.779 -5.404 1.00 0.00 C ATOM 164 C ARG A 19 22.582 -10.841 -5.495 1.00 0.00 C ATOM 165 O ARG A 19 23.193 -11.834 -5.153 1.00 0.00 O ATOM 166 CB ARG A 19 20.444 -11.618 -6.529 1.00 0.00 C ATOM 167 CG ARG A 19 19.582 -12.729 -5.927 1.00 0.00 C ATOM 168 CD ARG A 19 20.223 -14.087 -6.220 1.00 0.00 C ATOM 169 NE ARG A 19 19.189 -15.023 -6.744 1.00 0.00 N ATOM 170 CZ ARG A 19 18.261 -15.480 -5.949 1.00 0.00 C ATOM 171 NH1 ARG A 19 18.559 -15.822 -4.725 1.00 0.00 N ATOM 172 NH2 ARG A 19 17.033 -15.597 -6.378 1.00 0.00 N ATOM 0 H ARG A 19 20.882 -8.900 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 19 20.731 -11.171 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.840 -10.987 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.233 -12.049 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.484 -12.586 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.577 -12.691 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.027 -13.972 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.670 -14.493 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 19 19.207 -15.306 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.518 -15.732 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.833 -16.179 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.799 -15.331 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.307 -15.954 -5.756 1.00 0.00 H new ATOM 186 N THR A 20 23.202 -9.788 -5.950 1.00 0.00 N ATOM 187 CA THR A 20 24.688 -9.790 -6.061 1.00 0.00 C ATOM 188 C THR A 20 25.248 -8.488 -5.483 1.00 0.00 C ATOM 189 O THR A 20 24.524 -7.673 -4.947 1.00 0.00 O ATOM 190 CB THR A 20 25.089 -9.908 -7.535 1.00 0.00 C ATOM 191 OG1 THR A 20 26.482 -10.171 -7.625 1.00 0.00 O ATOM 192 CG2 THR A 20 24.765 -8.602 -8.261 1.00 0.00 C ATOM 0 H THR A 20 22.745 -8.927 -6.250 1.00 0.00 H new ATOM 0 HA THR A 20 25.091 -10.636 -5.504 1.00 0.00 H new ATOM 0 HB THR A 20 24.534 -10.724 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 20 26.740 -10.249 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 20 25.051 -8.688 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 20 23.696 -8.403 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 20 25.317 -7.783 -7.800 1.00 0.00 H new ATOM 200 N GLU A 21 26.534 -8.287 -5.587 1.00 0.00 N ATOM 201 CA GLU A 21 27.140 -7.039 -5.043 1.00 0.00 C ATOM 202 C GLU A 21 26.621 -5.835 -5.828 1.00 0.00 C ATOM 203 O GLU A 21 26.411 -4.769 -5.283 1.00 0.00 O ATOM 204 CB GLU A 21 28.663 -7.115 -5.171 1.00 0.00 C ATOM 205 CG GLU A 21 29.298 -5.943 -4.421 1.00 0.00 C ATOM 206 CD GLU A 21 30.575 -6.415 -3.723 1.00 0.00 C ATOM 207 OE1 GLU A 21 31.198 -7.335 -4.229 1.00 0.00 O ATOM 208 OE2 GLU A 21 30.908 -5.850 -2.695 1.00 0.00 O ATOM 0 H GLU A 21 27.190 -8.933 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 21 26.868 -6.931 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 21 29.026 -8.059 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.952 -7.087 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 21 29.528 -5.135 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.597 -5.544 -3.688 1.00 0.00 H new ATOM 215 N THR A 22 26.412 -5.993 -7.105 1.00 0.00 N ATOM 216 CA THR A 22 25.906 -4.857 -7.926 1.00 0.00 C ATOM 217 C THR A 22 24.523 -4.440 -7.421 1.00 0.00 C ATOM 218 O THR A 22 23.775 -5.242 -6.897 1.00 0.00 O ATOM 219 CB THR A 22 25.806 -5.290 -9.390 1.00 0.00 C ATOM 220 OG1 THR A 22 26.738 -6.334 -9.638 1.00 0.00 O ATOM 221 CG2 THR A 22 26.118 -4.098 -10.299 1.00 0.00 C ATOM 0 H THR A 22 26.570 -6.861 -7.617 1.00 0.00 H new ATOM 0 HA THR A 22 26.592 -4.014 -7.843 1.00 0.00 H new ATOM 0 HB THR A 22 24.797 -5.647 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.674 -6.614 -10.575 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.047 -4.407 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.403 -3.298 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.127 -3.739 -10.095 1.00 0.00 H new ATOM 229 N ASP A 23 24.176 -3.191 -7.575 1.00 0.00 N ATOM 230 CA ASP A 23 22.841 -2.726 -7.103 1.00 0.00 C ATOM 231 C ASP A 23 22.737 -2.927 -5.591 1.00 0.00 C ATOM 232 O ASP A 23 22.957 -4.007 -5.081 1.00 0.00 O ATOM 233 CB ASP A 23 21.743 -3.529 -7.803 1.00 0.00 C ATOM 234 CG ASP A 23 22.135 -3.758 -9.265 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.655 -2.835 -9.870 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.908 -4.852 -9.755 1.00 0.00 O ATOM 0 H ASP A 23 24.759 -2.474 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 23 22.721 -1.668 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.599 -4.485 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.795 -2.994 -7.749 1.00 0.00 H new ATOM 241 N LEU A 24 22.401 -1.894 -4.870 1.00 0.00 N ATOM 242 CA LEU A 24 22.283 -2.021 -3.392 1.00 0.00 C ATOM 243 C LEU A 24 20.849 -2.408 -3.026 1.00 0.00 C ATOM 244 O LEU A 24 20.041 -2.711 -3.881 1.00 0.00 O ATOM 245 CB LEU A 24 22.637 -0.685 -2.737 1.00 0.00 C ATOM 246 CG LEU A 24 24.155 -0.589 -2.553 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.586 -1.499 -1.402 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.858 -1.028 -3.841 1.00 0.00 C ATOM 0 H LEU A 24 22.203 -0.965 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 24 22.967 -2.792 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.283 0.140 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.137 -0.598 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 24 24.428 0.442 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.666 -1.432 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.088 -1.186 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.312 -2.529 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.938 -0.959 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.586 -2.058 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.551 -0.380 -4.662 1.00 0.00 H new ATOM 260 N SER A 25 20.529 -2.400 -1.763 1.00 0.00 N ATOM 261 CA SER A 25 19.149 -2.767 -1.341 1.00 0.00 C ATOM 262 C SER A 25 18.525 -1.611 -0.555 1.00 0.00 C ATOM 263 O SER A 25 17.321 -1.464 -0.506 1.00 0.00 O ATOM 264 CB SER A 25 19.208 -4.009 -0.451 1.00 0.00 C ATOM 265 OG SER A 25 18.872 -5.156 -1.216 1.00 0.00 O ATOM 0 H SER A 25 21.164 -2.155 -1.003 1.00 0.00 H new ATOM 0 HA SER A 25 18.543 -2.973 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.207 -4.120 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.518 -3.902 0.386 1.00 0.00 H new ATOM 0 HG SER A 25 18.200 -4.916 -1.888 1.00 0.00 H new ATOM 271 N PHE A 26 19.339 -0.785 0.048 1.00 0.00 N ATOM 272 CA PHE A 26 18.804 0.365 0.834 1.00 0.00 C ATOM 273 C PHE A 26 17.593 -0.087 1.649 1.00 0.00 C ATOM 274 O PHE A 26 17.328 -1.265 1.790 1.00 0.00 O ATOM 275 CB PHE A 26 18.406 1.508 -0.109 1.00 0.00 C ATOM 276 CG PHE A 26 17.341 1.033 -1.101 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.711 0.429 -2.290 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.998 1.224 -0.833 1.00 0.00 C ATOM 279 CE1 PHE A 26 16.752 0.023 -3.196 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.039 0.819 -1.741 1.00 0.00 C ATOM 281 CZ PHE A 26 15.416 0.218 -2.922 1.00 0.00 C ATOM 0 H PHE A 26 20.356 -0.858 0.030 1.00 0.00 H new ATOM 0 HA PHE A 26 19.578 0.724 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.024 2.349 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.283 1.864 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.757 0.274 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.697 1.693 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.049 -0.448 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.992 0.974 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.666 -0.100 -3.631 1.00 0.00 H new ATOM 291 N LYS A 27 16.864 0.839 2.202 1.00 0.00 N ATOM 292 CA LYS A 27 15.671 0.459 3.008 1.00 0.00 C ATOM 293 C LYS A 27 14.644 1.591 2.970 1.00 0.00 C ATOM 294 O LYS A 27 14.983 2.746 2.802 1.00 0.00 O ATOM 295 CB LYS A 27 16.094 0.203 4.456 1.00 0.00 C ATOM 296 CG LYS A 27 15.163 -0.838 5.082 1.00 0.00 C ATOM 297 CD LYS A 27 15.658 -1.185 6.487 1.00 0.00 C ATOM 298 CE LYS A 27 14.735 -2.235 7.108 1.00 0.00 C ATOM 299 NZ LYS A 27 15.099 -2.432 8.540 1.00 0.00 N ATOM 0 H LYS A 27 17.041 1.841 2.132 1.00 0.00 H new ATOM 0 HA LYS A 27 15.228 -0.446 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.125 -0.149 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.056 1.131 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.145 -0.450 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.134 -1.735 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.679 -1.564 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.678 -0.290 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.696 -1.915 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.822 -3.177 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.472 -3.146 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.085 -2.755 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.994 -1.533 9.052 1.00 0.00 H new ATOM 313 N LYS A 28 13.390 1.268 3.125 1.00 0.00 N ATOM 314 CA LYS A 28 12.340 2.321 3.098 1.00 0.00 C ATOM 315 C LYS A 28 12.529 3.253 4.296 1.00 0.00 C ATOM 316 O LYS A 28 12.403 2.850 5.436 1.00 0.00 O ATOM 317 CB LYS A 28 10.958 1.664 3.167 1.00 0.00 C ATOM 318 CG LYS A 28 9.901 2.720 3.502 1.00 0.00 C ATOM 319 CD LYS A 28 8.524 2.222 3.060 1.00 0.00 C ATOM 320 CE LYS A 28 7.548 2.307 4.236 1.00 0.00 C ATOM 321 NZ LYS A 28 7.260 3.737 4.541 1.00 0.00 N ATOM 0 H LYS A 28 13.048 0.318 3.269 1.00 0.00 H new ATOM 0 HA LYS A 28 12.419 2.896 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.722 1.189 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.955 0.880 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.900 2.922 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.138 3.659 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.159 2.822 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.594 1.194 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.624 1.783 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.973 1.816 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.521 3.794 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.125 4.199 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.933 4.217 3.678 1.00 0.00 H new ATOM 335 N GLY A 29 12.831 4.497 4.049 1.00 0.00 N ATOM 336 CA GLY A 29 13.029 5.456 5.171 1.00 0.00 C ATOM 337 C GLY A 29 14.307 6.260 4.930 1.00 0.00 C ATOM 338 O GLY A 29 14.384 7.432 5.240 1.00 0.00 O ATOM 0 H GLY A 29 12.950 4.892 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.173 6.126 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.097 4.918 6.117 1.00 0.00 H new ATOM 342 N GLU A 30 15.314 5.639 4.377 1.00 0.00 N ATOM 343 CA GLU A 30 16.586 6.367 4.116 1.00 0.00 C ATOM 344 C GLU A 30 16.392 7.319 2.934 1.00 0.00 C ATOM 345 O GLU A 30 15.542 7.113 2.092 1.00 0.00 O ATOM 346 CB GLU A 30 17.692 5.364 3.787 1.00 0.00 C ATOM 347 CG GLU A 30 18.295 4.825 5.086 1.00 0.00 C ATOM 348 CD GLU A 30 19.037 5.952 5.808 1.00 0.00 C ATOM 349 OE1 GLU A 30 20.178 6.203 5.459 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.449 6.546 6.698 1.00 0.00 O ATOM 0 H GLU A 30 15.309 4.659 4.095 1.00 0.00 H new ATOM 0 HA GLU A 30 16.867 6.937 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.289 4.544 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.465 5.843 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.509 4.424 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.979 4.005 4.869 1.00 0.00 H new ATOM 357 N ARG A 31 17.175 8.360 2.864 1.00 0.00 N ATOM 358 CA ARG A 31 17.032 9.323 1.735 1.00 0.00 C ATOM 359 C ARG A 31 17.931 8.890 0.575 1.00 0.00 C ATOM 360 O ARG A 31 19.140 8.875 0.685 1.00 0.00 O ATOM 361 CB ARG A 31 17.442 10.721 2.202 1.00 0.00 C ATOM 362 CG ARG A 31 16.258 11.677 2.046 1.00 0.00 C ATOM 363 CD ARG A 31 16.050 12.448 3.351 1.00 0.00 C ATOM 364 NE ARG A 31 17.157 13.430 3.528 1.00 0.00 N ATOM 365 CZ ARG A 31 16.903 14.710 3.503 1.00 0.00 C ATOM 366 NH1 ARG A 31 15.922 15.195 4.214 1.00 0.00 N ATOM 367 NH2 ARG A 31 17.630 15.505 2.766 1.00 0.00 N ATOM 0 H ARG A 31 17.906 8.586 3.538 1.00 0.00 H new ATOM 0 HA ARG A 31 15.994 9.340 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.763 10.689 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.291 11.077 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.443 12.371 1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.357 11.119 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.090 12.965 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.023 11.757 4.194 1.00 0.00 H new ATOM 0 HE ARG A 31 18.113 13.102 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.353 14.574 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.724 16.195 4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.396 15.126 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.432 16.505 2.746 1.00 0.00 H new ATOM 381 N LEU A 32 17.347 8.537 -0.538 1.00 0.00 N ATOM 382 CA LEU A 32 18.166 8.106 -1.705 1.00 0.00 C ATOM 383 C LEU A 32 18.219 9.239 -2.729 1.00 0.00 C ATOM 384 O LEU A 32 17.203 9.689 -3.223 1.00 0.00 O ATOM 385 CB LEU A 32 17.534 6.867 -2.343 1.00 0.00 C ATOM 386 CG LEU A 32 18.143 5.607 -1.724 1.00 0.00 C ATOM 387 CD1 LEU A 32 17.083 4.883 -0.894 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.641 4.681 -2.835 1.00 0.00 C ATOM 0 H LEU A 32 16.338 8.529 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 32 19.176 7.865 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.455 6.876 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.702 6.874 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 32 18.979 5.886 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.517 3.985 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.729 5.542 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.247 4.605 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.075 3.784 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.806 4.402 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.398 5.197 -3.426 1.00 0.00 H new ATOM 400 N GLN A 33 19.392 9.706 -3.055 1.00 0.00 N ATOM 401 CA GLN A 33 19.504 10.812 -4.047 1.00 0.00 C ATOM 402 C GLN A 33 19.689 10.227 -5.449 1.00 0.00 C ATOM 403 O GLN A 33 20.766 9.800 -5.816 1.00 0.00 O ATOM 404 CB GLN A 33 20.707 11.691 -3.700 1.00 0.00 C ATOM 405 CG GLN A 33 20.348 13.160 -3.934 1.00 0.00 C ATOM 406 CD GLN A 33 21.214 14.046 -3.038 1.00 0.00 C ATOM 407 OE1 GLN A 33 20.779 15.088 -2.590 1.00 0.00 O ATOM 408 NE2 GLN A 33 22.432 13.673 -2.755 1.00 0.00 N ATOM 0 H GLN A 33 20.278 9.370 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 33 18.595 11.413 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.996 11.537 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.564 11.412 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.503 13.421 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 33 19.293 13.326 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.798 12.798 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.018 14.256 -2.158 1.00 0.00 H new ATOM 417 N ILE A 34 18.648 10.203 -6.236 1.00 0.00 N ATOM 418 CA ILE A 34 18.772 9.644 -7.613 1.00 0.00 C ATOM 419 C ILE A 34 20.048 10.185 -8.257 1.00 0.00 C ATOM 420 O ILE A 34 20.619 11.156 -7.799 1.00 0.00 O ATOM 421 CB ILE A 34 17.558 10.061 -8.447 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.275 9.630 -7.732 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.628 9.384 -9.817 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.405 8.172 -7.285 1.00 0.00 C ATOM 0 H ILE A 34 17.720 10.545 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 34 18.817 8.556 -7.566 1.00 0.00 H new ATOM 0 HB ILE A 34 17.557 11.144 -8.573 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.094 10.271 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.420 9.742 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.765 9.679 -10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.542 9.688 -10.327 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.627 8.302 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.492 7.865 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.566 7.537 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.250 8.074 -6.604 1.00 0.00 H new ATOM 436 N VAL A 35 20.504 9.572 -9.314 1.00 0.00 N ATOM 437 CA VAL A 35 21.744 10.066 -9.974 1.00 0.00 C ATOM 438 C VAL A 35 21.434 10.557 -11.389 1.00 0.00 C ATOM 439 O VAL A 35 21.176 11.724 -11.604 1.00 0.00 O ATOM 440 CB VAL A 35 22.776 8.937 -10.033 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.971 9.374 -10.886 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.262 8.626 -8.615 1.00 0.00 C ATOM 0 H VAL A 35 20.074 8.755 -9.747 1.00 0.00 H new ATOM 0 HA VAL A 35 22.146 10.898 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 35 22.319 8.051 -10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.704 8.568 -10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.632 9.606 -11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.429 10.259 -10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.997 7.822 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.718 9.517 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.417 8.317 -8.000 1.00 0.00 H new ATOM 452 N ASN A 36 21.459 9.682 -12.358 1.00 0.00 N ATOM 453 CA ASN A 36 21.167 10.117 -13.750 1.00 0.00 C ATOM 454 C ASN A 36 20.043 9.277 -14.368 1.00 0.00 C ATOM 455 O ASN A 36 20.256 8.554 -15.320 1.00 0.00 O ATOM 456 CB ASN A 36 22.430 9.943 -14.586 1.00 0.00 C ATOM 457 CG ASN A 36 23.065 8.582 -14.285 1.00 0.00 C ATOM 458 OD1 ASN A 36 23.473 8.320 -13.173 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.163 7.698 -15.240 1.00 0.00 N ATOM 0 H ASN A 36 21.668 8.690 -12.245 1.00 0.00 H new ATOM 0 HA ASN A 36 20.848 11.159 -13.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.189 10.016 -15.646 1.00 0.00 H new ATOM 0 HB3 ASN A 36 23.137 10.742 -14.364 1.00 0.00 H new ATOM 0 HD21 ASN A 36 23.582 6.788 -15.051 1.00 0.00 H new ATOM 0 HD22 ASN A 36 22.820 7.917 -16.175 1.00 0.00 H new ATOM 466 N ASN A 37 18.850 9.369 -13.846 1.00 0.00 N ATOM 467 CA ASN A 37 17.723 8.570 -14.417 1.00 0.00 C ATOM 468 C ASN A 37 16.391 9.172 -13.966 1.00 0.00 C ATOM 469 O ASN A 37 15.926 8.922 -12.872 1.00 0.00 O ATOM 470 CB ASN A 37 17.803 7.124 -13.929 1.00 0.00 C ATOM 471 CG ASN A 37 19.253 6.636 -13.954 1.00 0.00 C ATOM 472 OD1 ASN A 37 19.684 6.022 -14.910 1.00 0.00 O ATOM 473 ND2 ASN A 37 20.028 6.881 -12.934 1.00 0.00 N ATOM 0 H ASN A 37 18.605 9.960 -13.052 1.00 0.00 H new ATOM 0 HA ASN A 37 17.793 8.590 -15.505 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.405 7.052 -12.917 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.186 6.485 -14.561 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.995 6.557 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.667 7.396 -12.131 1.00 0.00 H new ATOM 480 N THR A 38 15.774 9.967 -14.796 1.00 0.00 N ATOM 481 CA THR A 38 14.474 10.580 -14.408 1.00 0.00 C ATOM 482 C THR A 38 13.326 9.670 -14.846 1.00 0.00 C ATOM 483 O THR A 38 12.306 9.585 -14.192 1.00 0.00 O ATOM 484 CB THR A 38 14.331 11.947 -15.082 1.00 0.00 C ATOM 485 OG1 THR A 38 13.050 12.486 -14.787 1.00 0.00 O ATOM 486 CG2 THR A 38 14.487 11.792 -16.595 1.00 0.00 C ATOM 0 H THR A 38 16.114 10.218 -15.724 1.00 0.00 H new ATOM 0 HA THR A 38 14.442 10.705 -13.326 1.00 0.00 H new ATOM 0 HB THR A 38 15.103 12.619 -14.708 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.957 13.362 -15.216 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.385 12.766 -17.073 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.471 11.379 -16.819 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.717 11.120 -16.973 1.00 0.00 H new ATOM 494 N GLU A 39 13.482 8.992 -15.947 1.00 0.00 N ATOM 495 CA GLU A 39 12.399 8.089 -16.424 1.00 0.00 C ATOM 496 C GLU A 39 12.028 7.112 -15.308 1.00 0.00 C ATOM 497 O GLU A 39 12.479 7.237 -14.187 1.00 0.00 O ATOM 498 CB GLU A 39 12.890 7.310 -17.646 1.00 0.00 C ATOM 499 CG GLU A 39 12.497 8.059 -18.921 1.00 0.00 C ATOM 500 CD GLU A 39 11.076 7.663 -19.329 1.00 0.00 C ATOM 501 OE1 GLU A 39 10.787 6.478 -19.318 1.00 0.00 O ATOM 502 OE2 GLU A 39 10.303 8.550 -19.647 1.00 0.00 O ATOM 0 H GLU A 39 14.313 9.024 -16.538 1.00 0.00 H new ATOM 0 HA GLU A 39 11.523 8.678 -16.698 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.972 7.188 -17.602 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.457 6.310 -17.651 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.552 9.135 -18.755 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.196 7.824 -19.724 1.00 0.00 H new ATOM 509 N GLY A 40 11.207 6.142 -15.603 1.00 0.00 N ATOM 510 CA GLY A 40 10.809 5.156 -14.557 1.00 0.00 C ATOM 511 C GLY A 40 11.390 3.788 -14.916 1.00 0.00 C ATOM 512 O GLY A 40 10.835 3.059 -15.714 1.00 0.00 O ATOM 0 H GLY A 40 10.794 5.989 -16.523 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.173 5.475 -13.581 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.723 5.098 -14.488 1.00 0.00 H new ATOM 516 N ASP A 41 12.502 3.431 -14.334 1.00 0.00 N ATOM 517 CA ASP A 41 13.114 2.113 -14.646 1.00 0.00 C ATOM 518 C ASP A 41 13.995 1.669 -13.471 1.00 0.00 C ATOM 519 O ASP A 41 13.510 1.364 -12.401 1.00 0.00 O ATOM 520 CB ASP A 41 13.970 2.264 -15.903 1.00 0.00 C ATOM 521 CG ASP A 41 13.093 2.726 -17.068 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.149 2.024 -17.388 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.381 3.776 -17.620 1.00 0.00 O ATOM 0 H ASP A 41 13.012 3.997 -13.656 1.00 0.00 H new ATOM 0 HA ASP A 41 12.338 1.365 -14.811 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.768 2.985 -15.727 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.446 1.314 -16.147 1.00 0.00 H new ATOM 528 N TRP A 42 15.286 1.630 -13.666 1.00 0.00 N ATOM 529 CA TRP A 42 16.206 1.213 -12.579 1.00 0.00 C ATOM 530 C TRP A 42 17.308 2.259 -12.507 1.00 0.00 C ATOM 531 O TRP A 42 18.354 2.132 -13.111 1.00 0.00 O ATOM 532 CB TRP A 42 16.788 -0.163 -12.897 1.00 0.00 C ATOM 533 CG TRP A 42 15.648 -1.178 -12.899 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.669 -1.232 -13.817 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.442 -2.098 -11.960 1.00 0.00 C ATOM 536 NE1 TRP A 42 13.880 -2.214 -13.379 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.287 -2.808 -12.227 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.191 -2.393 -10.839 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.883 -3.812 -11.368 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.788 -3.396 -9.983 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.634 -4.107 -10.248 1.00 0.00 C ATOM 0 H TRP A 42 15.744 1.873 -14.545 1.00 0.00 H new ATOM 0 HA TRP A 42 15.687 1.140 -11.623 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.286 -0.150 -13.867 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.539 -0.438 -12.157 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.549 -0.624 -14.701 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.034 -2.498 -13.872 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.094 -1.838 -10.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 12.979 -4.366 -11.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.374 -3.626 -9.106 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.319 -4.894 -9.579 1.00 0.00 H new ATOM 552 N TRP A 43 17.068 3.295 -11.766 1.00 0.00 N ATOM 553 CA TRP A 43 18.072 4.376 -11.632 1.00 0.00 C ATOM 554 C TRP A 43 19.178 3.984 -10.658 1.00 0.00 C ATOM 555 O TRP A 43 18.991 3.174 -9.773 1.00 0.00 O ATOM 556 CB TRP A 43 17.366 5.618 -11.097 1.00 0.00 C ATOM 557 CG TRP A 43 15.978 5.745 -11.742 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.679 5.445 -13.026 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.900 6.238 -11.130 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.397 5.795 -13.136 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.832 6.293 -12.006 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.739 6.656 -9.823 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.610 6.768 -11.577 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.517 7.132 -9.395 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.452 7.188 -10.272 1.00 0.00 C ATOM 0 H TRP A 43 16.207 3.441 -11.240 1.00 0.00 H new ATOM 0 HA TRP A 43 18.522 4.563 -12.607 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.269 5.554 -10.013 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.960 6.506 -11.312 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.324 5.023 -13.782 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.877 5.696 -14.008 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.571 6.610 -9.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.777 6.811 -12.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.393 7.461 -8.374 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.495 7.560 -9.937 1.00 0.00 H new ATOM 576 N LEU A 44 20.334 4.563 -10.826 1.00 0.00 N ATOM 577 CA LEU A 44 21.471 4.251 -9.926 1.00 0.00 C ATOM 578 C LEU A 44 21.561 5.394 -8.927 1.00 0.00 C ATOM 579 O LEU A 44 22.172 6.405 -9.190 1.00 0.00 O ATOM 580 CB LEU A 44 22.770 4.172 -10.732 1.00 0.00 C ATOM 581 CG LEU A 44 23.958 4.073 -9.774 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.497 2.642 -9.780 1.00 0.00 C ATOM 583 CD2 LEU A 44 25.058 5.036 -10.221 1.00 0.00 C ATOM 0 H LEU A 44 20.538 5.245 -11.556 1.00 0.00 H new ATOM 0 HA LEU A 44 21.323 3.294 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.749 3.305 -11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.872 5.053 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 44 23.636 4.336 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.344 2.569 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 23.713 1.956 -9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 44 24.819 2.379 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.904 4.965 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.382 4.775 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.673 6.056 -10.216 1.00 0.00 H new ATOM 595 N ALA A 45 20.963 5.249 -7.782 1.00 0.00 N ATOM 596 CA ALA A 45 21.026 6.352 -6.787 1.00 0.00 C ATOM 597 C ALA A 45 22.143 6.113 -5.772 1.00 0.00 C ATOM 598 O ALA A 45 22.704 5.039 -5.678 1.00 0.00 O ATOM 599 CB ALA A 45 19.688 6.448 -6.054 1.00 0.00 C ATOM 0 H ALA A 45 20.438 4.424 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 45 21.234 7.282 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.730 7.256 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.893 6.650 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.485 5.507 -5.543 1.00 0.00 H new ATOM 605 N HIS A 46 22.460 7.125 -5.012 1.00 0.00 N ATOM 606 CA HIS A 46 23.533 7.000 -3.988 1.00 0.00 C ATOM 607 C HIS A 46 23.038 7.612 -2.676 1.00 0.00 C ATOM 608 O HIS A 46 22.416 8.657 -2.664 1.00 0.00 O ATOM 609 CB HIS A 46 24.779 7.752 -4.463 1.00 0.00 C ATOM 610 CG HIS A 46 25.764 7.891 -3.300 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.313 6.924 -2.689 1.00 0.00 N ATOM 612 CD2 HIS A 46 26.254 9.027 -2.685 1.00 0.00 C ATOM 613 CE1 HIS A 46 27.086 7.356 -1.765 1.00 0.00 C ATOM 614 NE2 HIS A 46 27.101 8.679 -1.703 1.00 0.00 N ATOM 0 H HIS A 46 22.016 8.042 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 46 23.781 5.950 -3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.248 7.216 -5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.502 8.737 -4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 46 25.995 10.041 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.660 6.716 -1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 46 27.625 9.282 -1.069 1.00 0.00 H new ATOM 622 N SER A 47 23.300 6.972 -1.570 1.00 0.00 N ATOM 623 CA SER A 47 22.839 7.527 -0.267 1.00 0.00 C ATOM 624 C SER A 47 24.005 8.228 0.434 1.00 0.00 C ATOM 625 O SER A 47 25.063 7.661 0.613 1.00 0.00 O ATOM 626 CB SER A 47 22.321 6.391 0.616 1.00 0.00 C ATOM 627 OG SER A 47 20.961 6.129 0.301 1.00 0.00 O ATOM 0 H SER A 47 23.812 6.092 -1.512 1.00 0.00 H new ATOM 0 HA SER A 47 22.038 8.246 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.920 5.494 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.416 6.661 1.668 1.00 0.00 H new ATOM 0 HG SER A 47 20.440 6.954 0.389 1.00 0.00 H new ATOM 633 N LEU A 48 23.820 9.458 0.829 1.00 0.00 N ATOM 634 CA LEU A 48 24.918 10.194 1.517 1.00 0.00 C ATOM 635 C LEU A 48 25.029 9.710 2.964 1.00 0.00 C ATOM 636 O LEU A 48 26.109 9.596 3.510 1.00 0.00 O ATOM 637 CB LEU A 48 24.615 11.694 1.503 1.00 0.00 C ATOM 638 CG LEU A 48 24.420 12.162 0.060 1.00 0.00 C ATOM 639 CD1 LEU A 48 24.210 13.677 0.038 1.00 0.00 C ATOM 640 CD2 LEU A 48 25.659 11.807 -0.764 1.00 0.00 C ATOM 0 H LEU A 48 22.956 9.985 0.705 1.00 0.00 H new ATOM 0 HA LEU A 48 25.859 10.009 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.718 11.900 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.432 12.245 1.968 1.00 0.00 H new ATOM 0 HG LEU A 48 23.547 11.668 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.071 14.010 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.327 13.930 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.083 14.172 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.520 12.141 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.533 12.300 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.808 10.727 -0.750 1.00 0.00 H new ATOM 652 N THR A 49 23.921 9.424 3.591 1.00 0.00 N ATOM 653 CA THR A 49 23.963 8.948 5.001 1.00 0.00 C ATOM 654 C THR A 49 24.700 7.608 5.070 1.00 0.00 C ATOM 655 O THR A 49 25.685 7.466 5.767 1.00 0.00 O ATOM 656 CB THR A 49 22.536 8.770 5.523 1.00 0.00 C ATOM 657 OG1 THR A 49 21.654 9.594 4.774 1.00 0.00 O ATOM 658 CG2 THR A 49 22.476 9.167 7.000 1.00 0.00 C ATOM 0 H THR A 49 22.988 9.500 3.187 1.00 0.00 H new ATOM 0 HA THR A 49 24.487 9.682 5.614 1.00 0.00 H new ATOM 0 HB THR A 49 22.238 7.727 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 49 20.739 9.480 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.459 9.040 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 49 23.153 8.535 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.774 10.210 7.109 1.00 0.00 H new ATOM 666 N THR A 50 24.232 6.625 4.352 1.00 0.00 N ATOM 667 CA THR A 50 24.906 5.296 4.376 1.00 0.00 C ATOM 668 C THR A 50 26.024 5.263 3.331 1.00 0.00 C ATOM 669 O THR A 50 27.174 5.028 3.647 1.00 0.00 O ATOM 670 CB THR A 50 23.883 4.201 4.063 1.00 0.00 C ATOM 671 OG1 THR A 50 23.025 4.644 3.022 1.00 0.00 O ATOM 672 CG2 THR A 50 23.057 3.899 5.314 1.00 0.00 C ATOM 0 H THR A 50 23.411 6.684 3.749 1.00 0.00 H new ATOM 0 HA THR A 50 25.333 5.126 5.364 1.00 0.00 H new ATOM 0 HB THR A 50 24.402 3.296 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 50 22.370 3.944 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 50 22.329 3.119 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 50 23.717 3.561 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.535 4.802 5.632 1.00 0.00 H new ATOM 680 N GLY A 51 25.696 5.496 2.090 1.00 0.00 N ATOM 681 CA GLY A 51 26.741 5.476 1.027 1.00 0.00 C ATOM 682 C GLY A 51 26.443 4.341 0.045 1.00 0.00 C ATOM 683 O GLY A 51 27.253 4.005 -0.795 1.00 0.00 O ATOM 0 H GLY A 51 24.750 5.699 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 26.760 6.431 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 51 27.726 5.338 1.472 1.00 0.00 H new ATOM 687 N GLN A 52 25.282 3.752 0.143 1.00 0.00 N ATOM 688 CA GLN A 52 24.929 2.639 -0.783 1.00 0.00 C ATOM 689 C GLN A 52 24.635 3.202 -2.175 1.00 0.00 C ATOM 690 O GLN A 52 23.903 4.160 -2.326 1.00 0.00 O ATOM 691 CB GLN A 52 23.689 1.913 -0.257 1.00 0.00 C ATOM 692 CG GLN A 52 24.029 1.211 1.060 1.00 0.00 C ATOM 693 CD GLN A 52 22.831 1.300 2.007 1.00 0.00 C ATOM 694 OE1 GLN A 52 21.804 1.846 1.656 1.00 0.00 O ATOM 695 NE2 GLN A 52 22.919 0.782 3.201 1.00 0.00 N ATOM 0 H GLN A 52 24.563 3.994 0.825 1.00 0.00 H new ATOM 0 HA GLN A 52 25.764 1.941 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.876 2.623 -0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 52 23.342 1.185 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.283 0.167 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 52 24.903 1.675 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.781 0.324 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 52 22.126 0.835 3.840 1.00 0.00 H new ATOM 704 N THR A 53 25.200 2.612 -3.192 1.00 0.00 N ATOM 705 CA THR A 53 24.955 3.109 -4.574 1.00 0.00 C ATOM 706 C THR A 53 24.631 1.915 -5.480 1.00 0.00 C ATOM 707 O THR A 53 25.317 0.913 -5.467 1.00 0.00 O ATOM 708 CB THR A 53 26.210 3.866 -5.068 1.00 0.00 C ATOM 709 OG1 THR A 53 25.856 5.210 -5.354 1.00 0.00 O ATOM 710 CG2 THR A 53 26.796 3.221 -6.334 1.00 0.00 C ATOM 0 H THR A 53 25.822 1.806 -3.125 1.00 0.00 H new ATOM 0 HA THR A 53 24.110 3.797 -4.594 1.00 0.00 H new ATOM 0 HB THR A 53 26.965 3.824 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 53 26.647 5.697 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.676 3.779 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.078 2.190 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.050 3.236 -7.129 1.00 0.00 H new ATOM 718 N GLY A 54 23.595 2.012 -6.268 1.00 0.00 N ATOM 719 CA GLY A 54 23.249 0.875 -7.163 1.00 0.00 C ATOM 720 C GLY A 54 21.963 1.180 -7.936 1.00 0.00 C ATOM 721 O GLY A 54 21.289 2.165 -7.690 1.00 0.00 O ATOM 0 H GLY A 54 22.979 2.823 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.066 0.691 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.121 -0.034 -6.575 1.00 0.00 H new ATOM 725 N TYR A 55 21.625 0.330 -8.870 1.00 0.00 N ATOM 726 CA TYR A 55 20.392 0.538 -9.678 1.00 0.00 C ATOM 727 C TYR A 55 19.157 0.207 -8.838 1.00 0.00 C ATOM 728 O TYR A 55 18.638 -0.890 -8.893 1.00 0.00 O ATOM 729 CB TYR A 55 20.427 -0.392 -10.894 1.00 0.00 C ATOM 730 CG TYR A 55 20.777 0.407 -12.149 1.00 0.00 C ATOM 731 CD1 TYR A 55 21.816 1.313 -12.137 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.062 0.224 -13.316 1.00 0.00 C ATOM 733 CE1 TYR A 55 22.136 2.027 -13.274 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.382 0.937 -14.452 1.00 0.00 C ATOM 735 CZ TYR A 55 21.422 1.844 -14.441 1.00 0.00 C ATOM 736 OH TYR A 55 21.740 2.558 -15.578 1.00 0.00 O ATOM 0 H TYR A 55 22.157 -0.507 -9.108 1.00 0.00 H new ATOM 0 HA TYR A 55 20.345 1.578 -9.999 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.162 -1.182 -10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.459 -0.878 -11.019 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.384 1.465 -11.231 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.246 -0.483 -13.339 1.00 0.00 H new ATOM 0 HE1 TYR A 55 22.952 2.735 -13.250 1.00 0.00 H new ATOM 0 HE2 TYR A 55 19.814 0.784 -15.358 1.00 0.00 H new ATOM 0 HH TYR A 55 21.135 2.302 -16.305 1.00 0.00 H new ATOM 746 N ILE A 56 18.679 1.140 -8.062 1.00 0.00 N ATOM 747 CA ILE A 56 17.477 0.859 -7.230 1.00 0.00 C ATOM 748 C ILE A 56 16.227 0.978 -8.111 1.00 0.00 C ATOM 749 O ILE A 56 16.106 1.915 -8.876 1.00 0.00 O ATOM 750 CB ILE A 56 17.396 1.873 -6.087 1.00 0.00 C ATOM 751 CG1 ILE A 56 17.053 3.253 -6.649 1.00 0.00 C ATOM 752 CG2 ILE A 56 18.748 1.938 -5.370 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.533 3.424 -6.684 1.00 0.00 C ATOM 0 H ILE A 56 19.066 2.079 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 56 17.542 -0.146 -6.812 1.00 0.00 H new ATOM 0 HB ILE A 56 16.622 1.566 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.503 4.031 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.465 3.362 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.693 2.660 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.994 0.955 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.520 2.245 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.287 4.407 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.095 2.654 -7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.133 3.333 -5.674 1.00 0.00 H new ATOM 765 N PRO A 57 15.334 0.029 -7.983 1.00 0.00 N ATOM 766 CA PRO A 57 14.090 0.022 -8.770 1.00 0.00 C ATOM 767 C PRO A 57 13.274 1.283 -8.474 1.00 0.00 C ATOM 768 O PRO A 57 13.089 1.660 -7.335 1.00 0.00 O ATOM 769 CB PRO A 57 13.339 -1.236 -8.313 1.00 0.00 C ATOM 770 CG PRO A 57 14.200 -1.928 -7.224 1.00 0.00 C ATOM 771 CD PRO A 57 15.481 -1.098 -7.043 1.00 0.00 C ATOM 0 HA PRO A 57 14.276 0.013 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.358 -0.973 -7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.172 -1.909 -9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.650 -1.992 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.444 -2.948 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.583 -0.746 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.370 -1.688 -7.268 1.00 0.00 H new ATOM 779 N SER A 58 12.790 1.939 -9.494 1.00 0.00 N ATOM 780 CA SER A 58 11.989 3.177 -9.274 1.00 0.00 C ATOM 781 C SER A 58 10.711 2.830 -8.510 1.00 0.00 C ATOM 782 O SER A 58 10.228 3.601 -7.706 1.00 0.00 O ATOM 783 CB SER A 58 11.623 3.793 -10.626 1.00 0.00 C ATOM 784 OG SER A 58 11.612 2.779 -11.621 1.00 0.00 O ATOM 0 H SER A 58 12.915 1.671 -10.470 1.00 0.00 H new ATOM 0 HA SER A 58 12.575 3.891 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.645 4.270 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.341 4.569 -10.890 1.00 0.00 H new ATOM 0 HG SER A 58 12.519 2.656 -11.972 1.00 0.00 H new ATOM 790 N ASN A 59 10.158 1.675 -8.754 1.00 0.00 N ATOM 791 CA ASN A 59 8.913 1.284 -8.039 1.00 0.00 C ATOM 792 C ASN A 59 9.194 1.209 -6.537 1.00 0.00 C ATOM 793 O ASN A 59 8.293 1.264 -5.724 1.00 0.00 O ATOM 794 CB ASN A 59 8.443 -0.082 -8.542 1.00 0.00 C ATOM 795 CG ASN A 59 6.941 -0.229 -8.290 1.00 0.00 C ATOM 796 OD1 ASN A 59 6.525 -0.572 -7.200 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.101 0.019 -9.259 1.00 0.00 N ATOM 0 H ASN A 59 10.514 0.986 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 59 8.136 2.025 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.656 -0.182 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.988 -0.876 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.098 -0.075 -9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.448 0.307 -10.174 1.00 0.00 H new ATOM 804 N TYR A 60 10.438 1.084 -6.162 1.00 0.00 N ATOM 805 CA TYR A 60 10.771 1.006 -4.712 1.00 0.00 C ATOM 806 C TYR A 60 11.263 2.369 -4.221 1.00 0.00 C ATOM 807 O TYR A 60 12.029 2.460 -3.282 1.00 0.00 O ATOM 808 CB TYR A 60 11.863 -0.040 -4.488 1.00 0.00 C ATOM 809 CG TYR A 60 11.233 -1.435 -4.442 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.116 -1.725 -5.199 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.761 -2.415 -3.626 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.537 -2.976 -5.142 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.182 -3.666 -3.569 1.00 0.00 C ATOM 814 CZ TYR A 60 10.066 -3.956 -4.327 1.00 0.00 C ATOM 815 OH TYR A 60 9.488 -5.208 -4.270 1.00 0.00 O ATOM 0 H TYR A 60 11.236 1.033 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 60 9.878 0.721 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.600 0.011 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.390 0.163 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.692 -0.967 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.634 -2.201 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.663 -3.190 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.605 -4.424 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 60 9.991 -5.772 -3.646 1.00 0.00 H new ATOM 825 N VAL A 61 10.832 3.429 -4.857 1.00 0.00 N ATOM 826 CA VAL A 61 11.264 4.796 -4.437 1.00 0.00 C ATOM 827 C VAL A 61 10.262 5.819 -4.972 1.00 0.00 C ATOM 828 O VAL A 61 9.437 5.516 -5.811 1.00 0.00 O ATOM 829 CB VAL A 61 12.666 5.098 -4.991 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.779 4.582 -6.427 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.929 6.607 -4.975 1.00 0.00 C ATOM 0 H VAL A 61 10.196 3.405 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 61 11.300 4.850 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 61 13.403 4.598 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.775 4.799 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.611 3.505 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.032 5.074 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.925 6.807 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.186 7.112 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.863 6.977 -3.952 1.00 0.00 H new ATOM 841 N ALA A 62 10.327 7.028 -4.492 1.00 0.00 N ATOM 842 CA ALA A 62 9.375 8.068 -4.974 1.00 0.00 C ATOM 843 C ALA A 62 9.919 9.462 -4.635 1.00 0.00 C ATOM 844 O ALA A 62 10.494 9.660 -3.583 1.00 0.00 O ATOM 845 CB ALA A 62 8.021 7.873 -4.291 1.00 0.00 C ATOM 0 H ALA A 62 10.996 7.342 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 62 9.257 7.978 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.323 8.633 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.631 6.884 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.142 7.963 -3.211 1.00 0.00 H new ATOM 851 N PRO A 63 9.721 10.390 -5.540 1.00 0.00 N ATOM 852 CA PRO A 63 10.184 11.777 -5.356 1.00 0.00 C ATOM 853 C PRO A 63 9.466 12.418 -4.165 1.00 0.00 C ATOM 854 O PRO A 63 8.393 12.001 -3.779 1.00 0.00 O ATOM 855 CB PRO A 63 9.811 12.495 -6.660 1.00 0.00 C ATOM 856 CG PRO A 63 9.079 11.472 -7.568 1.00 0.00 C ATOM 857 CD PRO A 63 9.030 10.131 -6.817 1.00 0.00 C ATOM 0 HA PRO A 63 11.253 11.834 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.170 13.352 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.704 12.876 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.071 11.818 -7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.603 11.360 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.002 9.807 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.526 9.342 -7.383 1.00 0.00 H new ATOM 865 N SER A 64 10.047 13.431 -3.583 1.00 0.00 N ATOM 866 CA SER A 64 9.395 14.096 -2.421 1.00 0.00 C ATOM 867 C SER A 64 9.286 15.599 -2.687 1.00 0.00 C ATOM 868 O SER A 64 8.531 16.251 -1.985 1.00 0.00 O ATOM 869 CB SER A 64 10.232 13.860 -1.162 1.00 0.00 C ATOM 870 OG SER A 64 9.480 13.097 -0.230 1.00 0.00 O ATOM 871 OXT SER A 64 9.958 16.071 -3.589 1.00 0.00 O ATOM 0 H SER A 64 10.945 13.826 -3.862 1.00 0.00 H new ATOM 0 HA SER A 64 8.398 13.680 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.153 13.336 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.520 14.814 -0.719 1.00 0.00 H new ATOM 0 HG SER A 64 10.016 12.944 0.576 1.00 0.00 H new TER 877 SER A 64