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 33 GLN : amide:sc= -1.2 K(o=-11,f=-5.9!) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -9.6! C(o=-11!,f=-5.9!) USER MOD Set 2.1: A 16 TYR OH : rot 82:sc= -0.312 USER MOD Set 2.2: A 18 SER OG : rot 127:sc= 0.645 USER MOD Single : A 9 THR OG1 : rot 24:sc= 0.765 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.991 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 25 SER OG : rot -52:sc= -0.836! USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.603 (180deg=-2.51!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.14) USER MOD Single : A 37 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot -67:sc= 1.58 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.025) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 61:sc= 1.06 USER MOD Single : A 59 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.58) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -82:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.107 15.624 -2.617 1.00 0.00 N ATOM 2 CA THR A 9 15.693 14.254 -2.589 1.00 0.00 C ATOM 3 C THR A 9 14.596 13.225 -2.867 1.00 0.00 C ATOM 4 O THR A 9 13.464 13.571 -3.140 1.00 0.00 O ATOM 5 CB THR A 9 16.306 13.989 -1.211 1.00 0.00 C ATOM 6 OG1 THR A 9 16.505 15.223 -0.537 1.00 0.00 O ATOM 7 CG2 THR A 9 17.646 13.273 -1.375 1.00 0.00 C ATOM 0 HA THR A 9 16.467 14.174 -3.352 1.00 0.00 H new ATOM 0 HB THR A 9 15.631 13.362 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.886 15.894 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.081 13.085 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.491 12.325 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 18.323 13.897 -1.958 1.00 0.00 H new ATOM 17 N PHE A 10 14.921 11.964 -2.800 1.00 0.00 N ATOM 18 CA PHE A 10 13.894 10.915 -3.060 1.00 0.00 C ATOM 19 C PHE A 10 13.673 10.092 -1.791 1.00 0.00 C ATOM 20 O PHE A 10 14.186 10.409 -0.736 1.00 0.00 O ATOM 21 CB PHE A 10 14.373 9.998 -4.187 1.00 0.00 C ATOM 22 CG PHE A 10 14.115 10.674 -5.535 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.790 11.831 -5.877 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.201 10.139 -6.426 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.556 12.444 -7.091 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.968 10.754 -7.639 1.00 0.00 C ATOM 27 CZ PHE A 10 13.645 11.905 -7.971 1.00 0.00 C ATOM 0 H PHE A 10 15.853 11.614 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 10 12.957 11.389 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.436 9.786 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.850 9.043 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.505 12.258 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.667 9.235 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.088 13.347 -7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.253 10.331 -8.329 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.462 12.385 -8.921 1.00 0.00 H new ATOM 37 N VAL A 11 12.916 9.035 -1.884 1.00 0.00 N ATOM 38 CA VAL A 11 12.662 8.191 -0.683 1.00 0.00 C ATOM 39 C VAL A 11 12.469 6.737 -1.115 1.00 0.00 C ATOM 40 O VAL A 11 11.898 6.455 -2.149 1.00 0.00 O ATOM 41 CB VAL A 11 11.401 8.685 0.029 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.093 7.768 1.214 1.00 0.00 C ATOM 43 CG2 VAL A 11 11.624 10.112 0.534 1.00 0.00 C ATOM 0 H VAL A 11 12.462 8.719 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 11 13.512 8.258 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 11 10.563 8.674 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.195 8.119 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.933 6.751 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.931 7.779 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.725 10.463 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.462 10.125 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.844 10.766 -0.310 1.00 0.00 H new ATOM 53 N ALA A 12 12.944 5.809 -0.329 1.00 0.00 N ATOM 54 CA ALA A 12 12.788 4.373 -0.694 1.00 0.00 C ATOM 55 C ALA A 12 11.351 3.928 -0.420 1.00 0.00 C ATOM 56 O ALA A 12 11.025 3.472 0.659 1.00 0.00 O ATOM 57 CB ALA A 12 13.751 3.528 0.141 1.00 0.00 C ATOM 0 H ALA A 12 13.433 5.984 0.549 1.00 0.00 H new ATOM 0 HA ALA A 12 13.012 4.242 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.638 2.477 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.776 3.844 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.527 3.660 1.200 1.00 0.00 H new ATOM 63 N LEU A 13 10.488 4.059 -1.390 1.00 0.00 N ATOM 64 CA LEU A 13 9.070 3.644 -1.191 1.00 0.00 C ATOM 65 C LEU A 13 9.027 2.302 -0.463 1.00 0.00 C ATOM 66 O LEU A 13 8.300 2.124 0.494 1.00 0.00 O ATOM 67 CB LEU A 13 8.394 3.482 -2.551 1.00 0.00 C ATOM 68 CG LEU A 13 7.696 4.781 -2.946 1.00 0.00 C ATOM 69 CD1 LEU A 13 7.109 4.618 -4.347 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.574 5.084 -1.953 1.00 0.00 C ATOM 0 H LEU A 13 10.704 4.436 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 13 8.554 4.403 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.134 3.214 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.670 2.668 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 13 8.412 5.603 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.607 5.540 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.910 4.399 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.391 3.798 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.077 6.012 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.851 4.268 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.992 5.188 -0.952 1.00 0.00 H new ATOM 82 N TYR A 14 9.803 1.355 -0.912 1.00 0.00 N ATOM 83 CA TYR A 14 9.805 0.022 -0.249 1.00 0.00 C ATOM 84 C TYR A 14 11.239 -0.406 0.062 1.00 0.00 C ATOM 85 O TYR A 14 12.176 0.351 -0.096 1.00 0.00 O ATOM 86 CB TYR A 14 9.170 -0.999 -1.190 1.00 0.00 C ATOM 87 CG TYR A 14 7.777 -0.518 -1.593 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.612 0.335 -2.665 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.664 -0.928 -0.887 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.352 0.770 -3.027 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.406 -0.494 -1.248 1.00 0.00 C ATOM 92 CZ TYR A 14 5.240 0.360 -2.320 1.00 0.00 C ATOM 93 OH TYR A 14 3.980 0.793 -2.681 1.00 0.00 O ATOM 0 H TYR A 14 10.435 1.447 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 14 9.240 0.080 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.792 -1.130 -2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.104 -1.970 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.474 0.665 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.779 -1.594 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.236 1.436 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.544 -0.825 -0.688 1.00 0.00 H new ATOM 0 HH TYR A 14 3.315 0.405 -2.075 1.00 0.00 H new ATOM 103 N ASP A 15 11.412 -1.619 0.510 1.00 0.00 N ATOM 104 CA ASP A 15 12.778 -2.110 0.835 1.00 0.00 C ATOM 105 C ASP A 15 13.280 -2.982 -0.317 1.00 0.00 C ATOM 106 O ASP A 15 13.472 -4.172 -0.165 1.00 0.00 O ATOM 107 CB ASP A 15 12.732 -2.939 2.121 1.00 0.00 C ATOM 108 CG ASP A 15 11.559 -3.918 2.051 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.595 -4.795 1.204 1.00 0.00 O ATOM 110 OD2 ASP A 15 10.646 -3.775 2.847 1.00 0.00 O ATOM 0 H ASP A 15 10.662 -2.293 0.665 1.00 0.00 H new ATOM 0 HA ASP A 15 13.450 -1.263 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.667 -3.483 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.623 -2.284 2.985 1.00 0.00 H new ATOM 115 N TYR A 16 13.473 -2.391 -1.470 1.00 0.00 N ATOM 116 CA TYR A 16 13.963 -3.157 -2.658 1.00 0.00 C ATOM 117 C TYR A 16 14.910 -4.275 -2.216 1.00 0.00 C ATOM 118 O TYR A 16 16.012 -4.031 -1.764 1.00 0.00 O ATOM 119 CB TYR A 16 14.707 -2.202 -3.594 1.00 0.00 C ATOM 120 CG TYR A 16 15.460 -3.000 -4.662 1.00 0.00 C ATOM 121 CD1 TYR A 16 14.877 -4.102 -5.258 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.728 -2.621 -5.053 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.554 -4.811 -6.230 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.404 -3.331 -6.025 1.00 0.00 C ATOM 125 CZ TYR A 16 16.822 -4.431 -6.622 1.00 0.00 C ATOM 126 OH TYR A 16 17.497 -5.138 -7.595 1.00 0.00 O ATOM 0 H TYR A 16 13.310 -1.399 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 16 13.112 -3.601 -3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.001 -1.520 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.407 -1.591 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.885 -4.411 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.195 -1.762 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.087 -5.671 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.396 -3.023 -6.321 1.00 0.00 H new ATOM 0 HH TYR A 16 17.195 -4.846 -8.480 1.00 0.00 H new ATOM 136 N GLU A 17 14.484 -5.502 -2.342 1.00 0.00 N ATOM 137 CA GLU A 17 15.350 -6.642 -1.932 1.00 0.00 C ATOM 138 C GLU A 17 15.674 -7.495 -3.161 1.00 0.00 C ATOM 139 O GLU A 17 14.953 -8.412 -3.500 1.00 0.00 O ATOM 140 CB GLU A 17 14.614 -7.493 -0.895 1.00 0.00 C ATOM 141 CG GLU A 17 15.513 -8.649 -0.452 1.00 0.00 C ATOM 142 CD GLU A 17 14.731 -9.569 0.489 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.268 -9.086 1.508 1.00 0.00 O ATOM 144 OE2 GLU A 17 14.611 -10.742 0.172 1.00 0.00 O ATOM 0 H GLU A 17 13.571 -5.764 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 17 16.275 -6.264 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.340 -6.881 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.687 -7.881 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.859 -9.209 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.399 -8.263 0.052 1.00 0.00 H new ATOM 151 N SER A 18 16.755 -7.200 -3.830 1.00 0.00 N ATOM 152 CA SER A 18 17.127 -7.993 -5.036 1.00 0.00 C ATOM 153 C SER A 18 17.744 -9.326 -4.607 1.00 0.00 C ATOM 154 O SER A 18 17.861 -9.620 -3.434 1.00 0.00 O ATOM 155 CB SER A 18 18.143 -7.208 -5.866 1.00 0.00 C ATOM 156 OG SER A 18 17.885 -7.412 -7.247 1.00 0.00 O ATOM 0 H SER A 18 17.397 -6.444 -3.593 1.00 0.00 H new ATOM 0 HA SER A 18 16.235 -8.183 -5.632 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.081 -6.146 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.155 -7.532 -5.623 1.00 0.00 H new ATOM 0 HG SER A 18 17.802 -6.545 -7.696 1.00 0.00 H new ATOM 162 N ARG A 19 18.137 -10.135 -5.552 1.00 0.00 N ATOM 163 CA ARG A 19 18.748 -11.448 -5.206 1.00 0.00 C ATOM 164 C ARG A 19 20.146 -11.537 -5.823 1.00 0.00 C ATOM 165 O ARG A 19 20.766 -12.581 -5.834 1.00 0.00 O ATOM 166 CB ARG A 19 17.875 -12.579 -5.758 1.00 0.00 C ATOM 167 CG ARG A 19 16.804 -12.946 -4.729 1.00 0.00 C ATOM 168 CD ARG A 19 15.502 -12.218 -5.065 1.00 0.00 C ATOM 169 NE ARG A 19 14.904 -11.665 -3.817 1.00 0.00 N ATOM 170 CZ ARG A 19 13.652 -11.299 -3.800 1.00 0.00 C ATOM 171 NH1 ARG A 19 13.061 -10.944 -4.908 1.00 0.00 N ATOM 172 NH2 ARG A 19 12.990 -11.288 -2.676 1.00 0.00 N ATOM 0 H ARG A 19 18.061 -9.942 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 19 18.821 -11.541 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.406 -12.268 -6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.490 -13.450 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.640 -14.024 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.138 -12.673 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.696 -11.414 -5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.803 -12.904 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 19 15.474 -11.573 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.578 -10.953 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.082 -10.658 -4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.451 -11.566 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.011 -11.002 -2.663 1.00 0.00 H new ATOM 186 N THR A 20 20.647 -10.445 -6.336 1.00 0.00 N ATOM 187 CA THR A 20 22.005 -10.466 -6.950 1.00 0.00 C ATOM 188 C THR A 20 22.906 -9.463 -6.229 1.00 0.00 C ATOM 189 O THR A 20 22.440 -8.594 -5.518 1.00 0.00 O ATOM 190 CB THR A 20 21.900 -10.085 -8.430 1.00 0.00 C ATOM 191 OG1 THR A 20 20.669 -9.412 -8.656 1.00 0.00 O ATOM 192 CG2 THR A 20 21.959 -11.348 -9.290 1.00 0.00 C ATOM 0 H THR A 20 20.175 -9.541 -6.356 1.00 0.00 H new ATOM 0 HA THR A 20 22.430 -11.466 -6.860 1.00 0.00 H new ATOM 0 HB THR A 20 22.729 -9.429 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 20 20.718 -8.507 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 20 21.884 -11.075 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 20 22.903 -11.864 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 20 21.132 -12.007 -9.026 1.00 0.00 H new ATOM 200 N GLU A 21 24.195 -9.575 -6.402 1.00 0.00 N ATOM 201 CA GLU A 21 25.124 -8.626 -5.724 1.00 0.00 C ATOM 202 C GLU A 21 25.371 -7.413 -6.627 1.00 0.00 C ATOM 203 O GLU A 21 26.058 -6.483 -6.254 1.00 0.00 O ATOM 204 CB GLU A 21 26.452 -9.328 -5.438 1.00 0.00 C ATOM 205 CG GLU A 21 27.075 -8.740 -4.170 1.00 0.00 C ATOM 206 CD GLU A 21 28.567 -9.076 -4.130 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.986 -9.918 -4.908 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.266 -8.485 -3.324 1.00 0.00 O ATOM 0 H GLU A 21 24.645 -10.282 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 21 24.679 -8.293 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.291 -10.399 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.131 -9.203 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.934 -7.659 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 26.577 -9.142 -3.288 1.00 0.00 H new ATOM 215 N THR A 22 24.817 -7.413 -7.809 1.00 0.00 N ATOM 216 CA THR A 22 25.022 -6.260 -8.730 1.00 0.00 C ATOM 217 C THR A 22 24.048 -5.135 -8.369 1.00 0.00 C ATOM 218 O THR A 22 23.931 -4.152 -9.072 1.00 0.00 O ATOM 219 CB THR A 22 24.771 -6.709 -10.172 1.00 0.00 C ATOM 220 OG1 THR A 22 23.372 -6.774 -10.408 1.00 0.00 O ATOM 221 CG2 THR A 22 25.393 -8.089 -10.396 1.00 0.00 C ATOM 0 H THR A 22 24.231 -8.163 -8.176 1.00 0.00 H new ATOM 0 HA THR A 22 26.045 -5.897 -8.634 1.00 0.00 H new ATOM 0 HB THR A 22 25.224 -5.994 -10.859 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.209 -7.060 -11.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.213 -8.407 -11.423 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.467 -8.038 -10.215 1.00 0.00 H new ATOM 0 HG23 THR A 22 24.943 -8.807 -9.710 1.00 0.00 H new ATOM 229 N ASP A 23 23.348 -5.273 -7.275 1.00 0.00 N ATOM 230 CA ASP A 23 22.381 -4.213 -6.865 1.00 0.00 C ATOM 231 C ASP A 23 22.226 -4.239 -5.348 1.00 0.00 C ATOM 232 O ASP A 23 21.927 -5.259 -4.760 1.00 0.00 O ATOM 233 CB ASP A 23 21.008 -4.454 -7.521 1.00 0.00 C ATOM 234 CG ASP A 23 20.988 -5.809 -8.237 1.00 0.00 C ATOM 235 OD1 ASP A 23 20.901 -6.816 -7.554 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.061 -5.815 -9.455 1.00 0.00 O ATOM 0 H ASP A 23 23.404 -6.075 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 23 22.759 -3.243 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.225 -4.425 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.793 -3.657 -8.232 1.00 0.00 H new ATOM 241 N LEU A 24 22.429 -3.122 -4.708 1.00 0.00 N ATOM 242 CA LEU A 24 22.293 -3.084 -3.229 1.00 0.00 C ATOM 243 C LEU A 24 20.821 -2.919 -2.860 1.00 0.00 C ATOM 244 O LEU A 24 20.020 -2.456 -3.647 1.00 0.00 O ATOM 245 CB LEU A 24 23.100 -1.911 -2.680 1.00 0.00 C ATOM 246 CG LEU A 24 24.587 -2.179 -2.913 1.00 0.00 C ATOM 247 CD1 LEU A 24 25.011 -1.601 -4.264 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.397 -1.522 -1.800 1.00 0.00 C ATOM 0 H LEU A 24 22.683 -2.236 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 24 22.668 -4.013 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.802 -0.985 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.902 -1.783 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 24 24.767 -3.254 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.071 -1.794 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.431 -2.070 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.833 -0.526 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.458 -1.711 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.215 -0.447 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 24 25.098 -1.938 -0.838 1.00 0.00 H new ATOM 260 N SER A 25 20.456 -3.292 -1.667 1.00 0.00 N ATOM 261 CA SER A 25 19.038 -3.159 -1.249 1.00 0.00 C ATOM 262 C SER A 25 18.907 -2.070 -0.185 1.00 0.00 C ATOM 263 O SER A 25 19.584 -2.091 0.825 1.00 0.00 O ATOM 264 CB SER A 25 18.569 -4.492 -0.670 1.00 0.00 C ATOM 265 OG SER A 25 18.126 -5.335 -1.723 1.00 0.00 O ATOM 0 H SER A 25 21.081 -3.684 -0.963 1.00 0.00 H new ATOM 0 HA SER A 25 18.428 -2.888 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.383 -4.970 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.761 -4.327 0.043 1.00 0.00 H new ATOM 0 HG SER A 25 17.469 -4.857 -2.271 1.00 0.00 H new ATOM 271 N PHE A 26 18.044 -1.114 -0.400 1.00 0.00 N ATOM 272 CA PHE A 26 17.877 -0.029 0.605 1.00 0.00 C ATOM 273 C PHE A 26 16.732 -0.404 1.551 1.00 0.00 C ATOM 274 O PHE A 26 16.187 -1.487 1.477 1.00 0.00 O ATOM 275 CB PHE A 26 17.561 1.294 -0.101 1.00 0.00 C ATOM 276 CG PHE A 26 16.545 1.063 -1.222 1.00 0.00 C ATOM 277 CD1 PHE A 26 16.969 0.761 -2.506 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.190 1.168 -0.969 1.00 0.00 C ATOM 279 CE1 PHE A 26 16.048 0.571 -3.518 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.272 0.978 -1.982 1.00 0.00 C ATOM 281 CZ PHE A 26 14.701 0.678 -3.255 1.00 0.00 C ATOM 0 H PHE A 26 17.450 -1.039 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 26 18.799 0.092 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.165 2.013 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.475 1.724 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.025 0.674 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.847 1.400 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.385 0.338 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.215 1.065 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.982 0.527 -4.046 1.00 0.00 H new ATOM 291 N LYS A 27 16.359 0.477 2.439 1.00 0.00 N ATOM 292 CA LYS A 27 15.250 0.150 3.381 1.00 0.00 C ATOM 293 C LYS A 27 14.169 1.229 3.303 1.00 0.00 C ATOM 294 O LYS A 27 14.420 2.349 2.901 1.00 0.00 O ATOM 295 CB LYS A 27 15.799 0.078 4.807 1.00 0.00 C ATOM 296 CG LYS A 27 16.715 -1.139 4.940 1.00 0.00 C ATOM 297 CD LYS A 27 16.538 -1.763 6.327 1.00 0.00 C ATOM 298 CE LYS A 27 16.371 -3.278 6.188 1.00 0.00 C ATOM 299 NZ LYS A 27 17.278 -3.781 5.117 1.00 0.00 N ATOM 0 H LYS A 27 16.771 1.403 2.553 1.00 0.00 H new ATOM 0 HA LYS A 27 14.816 -0.812 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.350 0.989 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.978 0.009 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.479 -1.871 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.754 -0.843 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.402 -1.538 6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.666 -1.334 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.601 -3.768 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.336 -3.520 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.535 -4.769 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.794 -3.727 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.139 -3.198 5.089 1.00 0.00 H new ATOM 313 N LYS A 28 12.965 0.900 3.687 1.00 0.00 N ATOM 314 CA LYS A 28 11.864 1.902 3.638 1.00 0.00 C ATOM 315 C LYS A 28 12.088 2.956 4.726 1.00 0.00 C ATOM 316 O LYS A 28 12.137 2.650 5.901 1.00 0.00 O ATOM 317 CB LYS A 28 10.525 1.195 3.873 1.00 0.00 C ATOM 318 CG LYS A 28 9.406 2.232 4.006 1.00 0.00 C ATOM 319 CD LYS A 28 8.464 1.822 5.141 1.00 0.00 C ATOM 320 CE LYS A 28 8.984 2.387 6.465 1.00 0.00 C ATOM 321 NZ LYS A 28 8.437 1.585 7.596 1.00 0.00 N ATOM 0 H LYS A 28 12.697 -0.021 4.033 1.00 0.00 H new ATOM 0 HA LYS A 28 11.851 2.387 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.310 0.519 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.578 0.586 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.829 3.216 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.853 2.309 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.458 2.193 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.397 0.736 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.074 2.362 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.688 3.431 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.790 1.968 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.398 1.631 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.741 0.595 7.499 1.00 0.00 H new ATOM 335 N GLY A 29 12.225 4.196 4.342 1.00 0.00 N ATOM 336 CA GLY A 29 12.446 5.268 5.354 1.00 0.00 C ATOM 337 C GLY A 29 13.786 5.955 5.080 1.00 0.00 C ATOM 338 O GLY A 29 13.982 7.108 5.406 1.00 0.00 O ATOM 0 H GLY A 29 12.194 4.513 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.636 5.996 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.441 4.843 6.358 1.00 0.00 H new ATOM 342 N GLU A 30 14.709 5.252 4.484 1.00 0.00 N ATOM 343 CA GLU A 30 16.035 5.860 4.190 1.00 0.00 C ATOM 344 C GLU A 30 15.975 6.578 2.840 1.00 0.00 C ATOM 345 O GLU A 30 15.584 6.008 1.841 1.00 0.00 O ATOM 346 CB GLU A 30 17.098 4.761 4.137 1.00 0.00 C ATOM 347 CG GLU A 30 18.486 5.396 4.045 1.00 0.00 C ATOM 348 CD GLU A 30 19.067 5.148 2.652 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.717 4.144 2.055 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.854 5.967 2.205 1.00 0.00 O ATOM 0 H GLU A 30 14.601 4.282 4.188 1.00 0.00 H new ATOM 0 HA GLU A 30 16.291 6.575 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.032 4.134 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.925 4.114 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.422 6.467 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.143 4.973 4.805 1.00 0.00 H new ATOM 357 N ARG A 31 16.357 7.823 2.802 1.00 0.00 N ATOM 358 CA ARG A 31 16.320 8.574 1.516 1.00 0.00 C ATOM 359 C ARG A 31 17.414 8.045 0.585 1.00 0.00 C ATOM 360 O ARG A 31 18.232 7.234 0.972 1.00 0.00 O ATOM 361 CB ARG A 31 16.554 10.062 1.786 1.00 0.00 C ATOM 362 CG ARG A 31 15.569 10.546 2.852 1.00 0.00 C ATOM 363 CD ARG A 31 15.621 12.072 2.942 1.00 0.00 C ATOM 364 NE ARG A 31 15.831 12.480 4.360 1.00 0.00 N ATOM 365 CZ ARG A 31 15.658 13.724 4.714 1.00 0.00 C ATOM 366 NH1 ARG A 31 15.637 14.663 3.809 1.00 0.00 N ATOM 367 NH2 ARG A 31 15.508 14.028 5.974 1.00 0.00 N ATOM 0 H ARG A 31 16.693 8.354 3.605 1.00 0.00 H new ATOM 0 HA ARG A 31 15.346 8.440 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.578 10.225 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 31 16.423 10.634 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.559 10.220 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.817 10.106 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.428 12.456 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.694 12.501 2.563 1.00 0.00 H new ATOM 0 HE ARG A 31 16.110 11.787 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.756 14.425 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.502 15.635 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.526 13.293 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.373 15.000 6.251 1.00 0.00 H new ATOM 381 N LEU A 32 17.434 8.497 -0.638 1.00 0.00 N ATOM 382 CA LEU A 32 18.476 8.019 -1.592 1.00 0.00 C ATOM 383 C LEU A 32 18.654 9.045 -2.712 1.00 0.00 C ATOM 384 O LEU A 32 17.703 9.455 -3.349 1.00 0.00 O ATOM 385 CB LEU A 32 18.040 6.683 -2.197 1.00 0.00 C ATOM 386 CG LEU A 32 18.376 5.547 -1.229 1.00 0.00 C ATOM 387 CD1 LEU A 32 17.087 5.028 -0.589 1.00 0.00 C ATOM 388 CD2 LEU A 32 19.062 4.412 -1.993 1.00 0.00 C ATOM 0 H LEU A 32 16.775 9.176 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 32 19.419 7.890 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.969 6.696 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.543 6.523 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 32 19.045 5.916 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.324 4.218 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.599 5.837 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.418 4.658 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.302 3.602 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.394 4.041 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.979 4.783 -2.450 1.00 0.00 H new ATOM 400 N GLN A 33 19.864 9.467 -2.958 1.00 0.00 N ATOM 401 CA GLN A 33 20.096 10.466 -4.038 1.00 0.00 C ATOM 402 C GLN A 33 19.836 9.806 -5.393 1.00 0.00 C ATOM 403 O GLN A 33 20.431 8.801 -5.729 1.00 0.00 O ATOM 404 CB GLN A 33 21.542 10.961 -3.977 1.00 0.00 C ATOM 405 CG GLN A 33 21.775 11.996 -5.080 1.00 0.00 C ATOM 406 CD GLN A 33 23.156 12.630 -4.896 1.00 0.00 C ATOM 407 OE1 GLN A 33 23.998 12.090 -4.208 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.425 13.762 -5.488 1.00 0.00 N ATOM 0 H GLN A 33 20.700 9.164 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 33 19.422 11.313 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.746 11.402 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.229 10.124 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.707 11.522 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.002 12.764 -5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.718 14.216 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.342 14.193 -5.372 1.00 0.00 H new ATOM 417 N ILE A 34 18.950 10.360 -6.172 1.00 0.00 N ATOM 418 CA ILE A 34 18.655 9.761 -7.501 1.00 0.00 C ATOM 419 C ILE A 34 19.634 10.308 -8.542 1.00 0.00 C ATOM 420 O ILE A 34 19.606 11.473 -8.885 1.00 0.00 O ATOM 421 CB ILE A 34 17.221 10.109 -7.910 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.238 9.288 -7.075 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.016 9.787 -9.393 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.513 7.796 -7.280 1.00 0.00 C ATOM 0 H ILE A 34 18.418 11.201 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 34 18.763 8.678 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 34 17.047 11.172 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.337 9.545 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.214 9.523 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 34 15.995 10.036 -9.681 1.00 0.00 H new ATOM 0 HG22 ILE A 34 17.715 10.371 -9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.193 8.725 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.812 7.212 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.391 7.545 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.532 7.568 -6.968 1.00 0.00 H new ATOM 436 N VAL A 35 20.502 9.473 -9.045 1.00 0.00 N ATOM 437 CA VAL A 35 21.485 9.937 -10.064 1.00 0.00 C ATOM 438 C VAL A 35 20.789 10.004 -11.421 1.00 0.00 C ATOM 439 O VAL A 35 20.253 11.024 -11.807 1.00 0.00 O ATOM 440 CB VAL A 35 22.649 8.945 -10.138 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.565 9.321 -11.305 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.445 8.993 -8.832 1.00 0.00 C ATOM 0 H VAL A 35 20.573 8.487 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 35 21.867 10.921 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 35 22.259 7.939 -10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.394 8.615 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.000 9.288 -12.236 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.954 10.328 -11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.274 8.287 -8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.835 9.999 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.794 8.727 -7.999 1.00 0.00 H new ATOM 452 N ASN A 36 20.793 8.924 -12.152 1.00 0.00 N ATOM 453 CA ASN A 36 20.128 8.926 -13.482 1.00 0.00 C ATOM 454 C ASN A 36 18.645 8.636 -13.262 1.00 0.00 C ATOM 455 O ASN A 36 18.204 8.489 -12.140 1.00 0.00 O ATOM 456 CB ASN A 36 20.742 7.838 -14.368 1.00 0.00 C ATOM 457 CG ASN A 36 21.868 8.442 -15.211 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.000 8.134 -16.379 1.00 0.00 O ATOM 459 ND2 ASN A 36 22.693 9.293 -14.664 1.00 0.00 N ATOM 0 H ASN A 36 21.228 8.041 -11.885 1.00 0.00 H new ATOM 0 HA ASN A 36 20.260 9.890 -13.974 1.00 0.00 H new ATOM 0 HB2 ASN A 36 21.130 7.027 -13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.978 7.408 -15.016 1.00 0.00 H new ATOM 0 HD21 ASN A 36 23.448 9.699 -15.217 1.00 0.00 H new ATOM 0 HD22 ASN A 36 22.583 9.552 -13.684 1.00 0.00 H new ATOM 466 N ASN A 37 17.860 8.556 -14.300 1.00 0.00 N ATOM 467 CA ASN A 37 16.415 8.272 -14.080 1.00 0.00 C ATOM 468 C ASN A 37 15.725 7.895 -15.385 1.00 0.00 C ATOM 469 O ASN A 37 15.051 8.698 -15.999 1.00 0.00 O ATOM 470 CB ASN A 37 15.704 9.489 -13.478 1.00 0.00 C ATOM 471 CG ASN A 37 16.634 10.708 -13.471 1.00 0.00 C ATOM 472 OD1 ASN A 37 17.335 10.955 -14.432 1.00 0.00 O ATOM 473 ND2 ASN A 37 16.669 11.482 -12.422 1.00 0.00 N ATOM 0 H ASN A 37 18.148 8.672 -15.272 1.00 0.00 H new ATOM 0 HA ASN A 37 16.354 7.434 -13.385 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.806 9.713 -14.053 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.383 9.263 -12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.285 12.295 -12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.080 11.275 -11.615 1.00 0.00 H new ATOM 480 N THR A 38 15.888 6.679 -15.819 1.00 0.00 N ATOM 481 CA THR A 38 15.236 6.254 -17.080 1.00 0.00 C ATOM 482 C THR A 38 13.856 5.720 -16.702 1.00 0.00 C ATOM 483 O THR A 38 13.575 4.547 -16.833 1.00 0.00 O ATOM 484 CB THR A 38 16.066 5.157 -17.752 1.00 0.00 C ATOM 485 OG1 THR A 38 15.270 4.491 -18.723 1.00 0.00 O ATOM 486 CG2 THR A 38 16.539 4.155 -16.699 1.00 0.00 C ATOM 0 H THR A 38 16.445 5.963 -15.353 1.00 0.00 H new ATOM 0 HA THR A 38 15.152 7.084 -17.782 1.00 0.00 H new ATOM 0 HB THR A 38 16.933 5.603 -18.239 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.551 3.998 -18.275 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.130 3.375 -17.179 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.150 4.668 -15.957 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.675 3.706 -16.209 1.00 0.00 H new ATOM 494 N GLU A 39 13.017 6.602 -16.216 1.00 0.00 N ATOM 495 CA GLU A 39 11.627 6.242 -15.793 1.00 0.00 C ATOM 496 C GLU A 39 11.168 4.918 -16.400 1.00 0.00 C ATOM 497 O GLU A 39 11.079 4.765 -17.602 1.00 0.00 O ATOM 498 CB GLU A 39 10.665 7.347 -16.226 1.00 0.00 C ATOM 499 CG GLU A 39 11.321 8.714 -16.025 1.00 0.00 C ATOM 500 CD GLU A 39 10.277 9.815 -16.223 1.00 0.00 C ATOM 501 OE1 GLU A 39 9.449 9.983 -15.344 1.00 0.00 O ATOM 502 OE2 GLU A 39 10.325 10.471 -17.250 1.00 0.00 O ATOM 0 H GLU A 39 13.246 7.588 -16.091 1.00 0.00 H new ATOM 0 HA GLU A 39 11.629 6.133 -14.708 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.393 7.215 -17.273 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.744 7.287 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.750 8.780 -15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.140 8.844 -16.732 1.00 0.00 H new ATOM 509 N GLY A 40 10.876 3.961 -15.563 1.00 0.00 N ATOM 510 CA GLY A 40 10.417 2.640 -16.067 1.00 0.00 C ATOM 511 C GLY A 40 11.584 1.653 -16.143 1.00 0.00 C ATOM 512 O GLY A 40 11.537 0.697 -16.892 1.00 0.00 O ATOM 0 H GLY A 40 10.936 4.039 -14.548 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.642 2.244 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.969 2.758 -17.054 1.00 0.00 H new ATOM 516 N ASP A 41 12.634 1.855 -15.388 1.00 0.00 N ATOM 517 CA ASP A 41 13.765 0.898 -15.462 1.00 0.00 C ATOM 518 C ASP A 41 14.444 0.757 -14.093 1.00 0.00 C ATOM 519 O ASP A 41 13.836 0.339 -13.128 1.00 0.00 O ATOM 520 CB ASP A 41 14.773 1.387 -16.497 1.00 0.00 C ATOM 521 CG ASP A 41 14.074 1.573 -17.845 1.00 0.00 C ATOM 522 OD1 ASP A 41 13.764 0.572 -18.471 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.860 2.709 -18.230 1.00 0.00 O ATOM 0 H ASP A 41 12.752 2.630 -14.735 1.00 0.00 H new ATOM 0 HA ASP A 41 13.384 -0.080 -15.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.215 2.329 -16.172 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.587 0.669 -16.594 1.00 0.00 H new ATOM 528 N TRP A 42 15.700 1.104 -14.005 1.00 0.00 N ATOM 529 CA TRP A 42 16.430 0.994 -12.714 1.00 0.00 C ATOM 530 C TRP A 42 17.445 2.125 -12.629 1.00 0.00 C ATOM 531 O TRP A 42 18.540 2.033 -13.149 1.00 0.00 O ATOM 532 CB TRP A 42 17.164 -0.347 -12.653 1.00 0.00 C ATOM 533 CG TRP A 42 16.157 -1.479 -12.841 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.552 -1.786 -13.997 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.715 -2.269 -11.871 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.733 -2.783 -13.667 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.770 -3.151 -12.357 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.077 -2.301 -10.541 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.183 -4.065 -11.503 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.494 -3.215 -9.690 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.546 -4.097 -10.171 1.00 0.00 C ATOM 0 H TRP A 42 16.255 1.462 -14.782 1.00 0.00 H new ATOM 0 HA TRP A 42 15.726 1.058 -11.885 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.929 -0.392 -13.428 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.674 -0.453 -11.695 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.695 -1.332 -14.967 1.00 0.00 H new ATOM 0 HE1 TRP A 42 14.123 -3.238 -14.346 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.817 -1.610 -10.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.440 -4.754 -11.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 15.778 -3.242 -8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.088 -4.813 -9.504 1.00 0.00 H new ATOM 552 N TRP A 43 17.093 3.191 -11.982 1.00 0.00 N ATOM 553 CA TRP A 43 18.037 4.328 -11.865 1.00 0.00 C ATOM 554 C TRP A 43 19.057 4.032 -10.761 1.00 0.00 C ATOM 555 O TRP A 43 18.785 3.297 -9.831 1.00 0.00 O ATOM 556 CB TRP A 43 17.251 5.595 -11.530 1.00 0.00 C ATOM 557 CG TRP A 43 15.862 5.529 -12.183 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.565 4.886 -13.334 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.769 6.117 -11.701 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.264 5.126 -13.499 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.689 5.883 -12.529 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.610 6.873 -10.558 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.451 6.406 -12.213 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.373 7.395 -10.242 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.293 7.161 -11.069 1.00 0.00 C ATOM 0 H TRP A 43 16.190 3.326 -11.527 1.00 0.00 H new ATOM 0 HA TRP A 43 18.568 4.471 -12.806 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.151 5.698 -10.449 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.789 6.474 -11.885 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.225 4.314 -13.969 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.738 4.767 -14.296 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.455 7.056 -9.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.606 6.224 -12.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.249 7.987 -9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.324 7.569 -10.821 1.00 0.00 H new ATOM 576 N LEU A 44 20.231 4.597 -10.856 1.00 0.00 N ATOM 577 CA LEU A 44 21.266 4.344 -9.813 1.00 0.00 C ATOM 578 C LEU A 44 21.191 5.438 -8.753 1.00 0.00 C ATOM 579 O LEU A 44 21.217 6.612 -9.058 1.00 0.00 O ATOM 580 CB LEU A 44 22.654 4.356 -10.459 1.00 0.00 C ATOM 581 CG LEU A 44 23.708 3.977 -9.416 1.00 0.00 C ATOM 582 CD1 LEU A 44 25.002 3.575 -10.122 1.00 0.00 C ATOM 583 CD2 LEU A 44 23.977 5.176 -8.504 1.00 0.00 C ATOM 0 H LEU A 44 20.517 5.222 -11.610 1.00 0.00 H new ATOM 0 HA LEU A 44 21.089 3.373 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.684 3.655 -11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.869 5.344 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 44 23.344 3.140 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.753 3.305 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.812 2.721 -10.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.366 4.412 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 44 24.728 4.907 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.341 6.013 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.054 5.464 -8.000 1.00 0.00 H new ATOM 595 N ALA A 45 21.103 5.068 -7.507 1.00 0.00 N ATOM 596 CA ALA A 45 21.026 6.100 -6.437 1.00 0.00 C ATOM 597 C ALA A 45 22.192 5.924 -5.462 1.00 0.00 C ATOM 598 O ALA A 45 22.658 4.825 -5.223 1.00 0.00 O ATOM 599 CB ALA A 45 19.704 5.955 -5.682 1.00 0.00 C ATOM 0 H ALA A 45 21.081 4.101 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 45 21.082 7.090 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.648 6.711 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.873 6.088 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.648 4.963 -5.234 1.00 0.00 H new ATOM 605 N HIS A 46 22.669 7.002 -4.903 1.00 0.00 N ATOM 606 CA HIS A 46 23.802 6.916 -3.945 1.00 0.00 C ATOM 607 C HIS A 46 23.308 7.328 -2.550 1.00 0.00 C ATOM 608 O HIS A 46 22.546 8.264 -2.403 1.00 0.00 O ATOM 609 CB HIS A 46 24.934 7.842 -4.438 1.00 0.00 C ATOM 610 CG HIS A 46 25.417 8.788 -3.328 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.544 8.724 -2.753 1.00 0.00 N ATOM 612 CD2 HIS A 46 24.777 9.862 -2.740 1.00 0.00 C ATOM 613 CE1 HIS A 46 26.657 9.650 -1.875 1.00 0.00 C ATOM 614 NE2 HIS A 46 25.575 10.410 -1.811 1.00 0.00 N ATOM 0 H HIS A 46 22.318 7.945 -5.072 1.00 0.00 H new ATOM 0 HA HIS A 46 24.187 5.898 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.770 7.239 -4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.582 8.427 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 46 23.785 10.208 -2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.532 9.794 -1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 46 25.393 11.211 -1.207 1.00 0.00 H new ATOM 622 N SER A 47 23.735 6.637 -1.529 1.00 0.00 N ATOM 623 CA SER A 47 23.290 6.989 -0.152 1.00 0.00 C ATOM 624 C SER A 47 23.884 8.342 0.244 1.00 0.00 C ATOM 625 O SER A 47 24.959 8.708 -0.188 1.00 0.00 O ATOM 626 CB SER A 47 23.766 5.915 0.829 1.00 0.00 C ATOM 627 OG SER A 47 22.913 4.782 0.741 1.00 0.00 O ATOM 0 H SER A 47 24.373 5.844 -1.589 1.00 0.00 H new ATOM 0 HA SER A 47 22.202 7.047 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.793 5.629 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.762 6.308 1.846 1.00 0.00 H new ATOM 0 HG SER A 47 23.218 4.093 1.368 1.00 0.00 H new ATOM 633 N LEU A 48 23.195 9.087 1.064 1.00 0.00 N ATOM 634 CA LEU A 48 23.722 10.416 1.486 1.00 0.00 C ATOM 635 C LEU A 48 24.568 10.256 2.752 1.00 0.00 C ATOM 636 O LEU A 48 25.495 11.006 2.987 1.00 0.00 O ATOM 637 CB LEU A 48 22.552 11.359 1.771 1.00 0.00 C ATOM 638 CG LEU A 48 21.527 11.251 0.640 1.00 0.00 C ATOM 639 CD1 LEU A 48 20.280 12.062 1.003 1.00 0.00 C ATOM 640 CD2 LEU A 48 22.135 11.801 -0.652 1.00 0.00 C ATOM 0 H LEU A 48 22.290 8.833 1.460 1.00 0.00 H new ATOM 0 HA LEU A 48 24.340 10.830 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.088 11.103 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.910 12.385 1.856 1.00 0.00 H new ATOM 0 HG LEU A 48 21.252 10.206 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.549 11.986 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.847 11.671 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.555 13.107 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 48 21.406 11.725 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 22.410 12.846 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 48 23.023 11.225 -0.910 1.00 0.00 H new ATOM 652 N THR A 49 24.259 9.286 3.568 1.00 0.00 N ATOM 653 CA THR A 49 25.048 9.084 4.816 1.00 0.00 C ATOM 654 C THR A 49 26.515 8.838 4.459 1.00 0.00 C ATOM 655 O THR A 49 27.330 9.739 4.488 1.00 0.00 O ATOM 656 CB THR A 49 24.501 7.875 5.579 1.00 0.00 C ATOM 657 OG1 THR A 49 23.165 8.138 5.985 1.00 0.00 O ATOM 658 CG2 THR A 49 25.369 7.612 6.810 1.00 0.00 C ATOM 0 H THR A 49 23.495 8.625 3.425 1.00 0.00 H new ATOM 0 HA THR A 49 24.969 9.974 5.441 1.00 0.00 H new ATOM 0 HB THR A 49 24.518 6.998 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.813 7.364 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.979 6.751 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.393 7.410 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.354 8.487 7.459 1.00 0.00 H new ATOM 666 N THR A 50 26.858 7.625 4.123 1.00 0.00 N ATOM 667 CA THR A 50 28.272 7.323 3.765 1.00 0.00 C ATOM 668 C THR A 50 28.509 7.664 2.292 1.00 0.00 C ATOM 669 O THR A 50 29.141 8.650 1.966 1.00 0.00 O ATOM 670 CB THR A 50 28.548 5.835 3.995 1.00 0.00 C ATOM 671 OG1 THR A 50 28.169 5.487 5.319 1.00 0.00 O ATOM 672 CG2 THR A 50 30.038 5.554 3.797 1.00 0.00 C ATOM 0 H THR A 50 26.220 6.830 4.081 1.00 0.00 H new ATOM 0 HA THR A 50 28.940 7.918 4.387 1.00 0.00 H new ATOM 0 HB THR A 50 27.973 5.242 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 50 28.343 4.534 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 50 30.233 4.494 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 50 30.327 5.823 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 50 30.617 6.144 4.508 1.00 0.00 H new ATOM 680 N GLY A 51 28.004 6.859 1.398 1.00 0.00 N ATOM 681 CA GLY A 51 28.201 7.139 -0.052 1.00 0.00 C ATOM 682 C GLY A 51 28.257 5.819 -0.823 1.00 0.00 C ATOM 683 O GLY A 51 29.055 5.647 -1.722 1.00 0.00 O ATOM 0 H GLY A 51 27.464 6.020 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.386 7.758 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.123 7.700 -0.203 1.00 0.00 H new ATOM 687 N GLN A 52 27.416 4.884 -0.476 1.00 0.00 N ATOM 688 CA GLN A 52 27.423 3.575 -1.188 1.00 0.00 C ATOM 689 C GLN A 52 26.498 3.655 -2.406 1.00 0.00 C ATOM 690 O GLN A 52 25.741 4.592 -2.560 1.00 0.00 O ATOM 691 CB GLN A 52 26.927 2.479 -0.242 1.00 0.00 C ATOM 692 CG GLN A 52 28.021 1.421 -0.070 1.00 0.00 C ATOM 693 CD GLN A 52 29.182 2.012 0.732 1.00 0.00 C ATOM 694 OE1 GLN A 52 30.300 2.065 0.256 1.00 0.00 O ATOM 695 NE2 GLN A 52 28.966 2.459 1.938 1.00 0.00 N ATOM 0 H GLN A 52 26.725 4.970 0.269 1.00 0.00 H new ATOM 0 HA GLN A 52 28.436 3.342 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.666 2.909 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 52 26.022 2.021 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.619 0.547 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 52 28.373 1.085 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 52 28.029 2.415 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.734 2.853 2.481 1.00 0.00 H new ATOM 704 N THR A 53 26.555 2.681 -3.272 1.00 0.00 N ATOM 705 CA THR A 53 25.678 2.704 -4.478 1.00 0.00 C ATOM 706 C THR A 53 24.519 1.725 -4.281 1.00 0.00 C ATOM 707 O THR A 53 24.596 0.813 -3.483 1.00 0.00 O ATOM 708 CB THR A 53 26.491 2.291 -5.708 1.00 0.00 C ATOM 709 OG1 THR A 53 27.392 3.335 -6.050 1.00 0.00 O ATOM 710 CG2 THR A 53 25.543 2.027 -6.880 1.00 0.00 C ATOM 0 H THR A 53 27.170 1.871 -3.197 1.00 0.00 H new ATOM 0 HA THR A 53 25.285 3.710 -4.624 1.00 0.00 H new ATOM 0 HB THR A 53 27.054 1.384 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.915 3.072 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.121 1.733 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.852 1.227 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.980 2.933 -7.104 1.00 0.00 H new ATOM 718 N GLY A 54 23.444 1.905 -5.000 1.00 0.00 N ATOM 719 CA GLY A 54 22.286 0.980 -4.846 1.00 0.00 C ATOM 720 C GLY A 54 21.362 1.100 -6.058 1.00 0.00 C ATOM 721 O GLY A 54 20.687 2.095 -6.239 1.00 0.00 O ATOM 0 H GLY A 54 23.318 2.650 -5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.639 -0.046 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.738 1.218 -3.934 1.00 0.00 H new ATOM 725 N TYR A 55 21.327 0.097 -6.893 1.00 0.00 N ATOM 726 CA TYR A 55 20.445 0.157 -8.090 1.00 0.00 C ATOM 727 C TYR A 55 18.991 0.004 -7.646 1.00 0.00 C ATOM 728 O TYR A 55 18.550 -1.073 -7.296 1.00 0.00 O ATOM 729 CB TYR A 55 20.809 -0.981 -9.043 1.00 0.00 C ATOM 730 CG TYR A 55 22.001 -0.565 -9.907 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.984 0.255 -9.393 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.112 -1.007 -11.209 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.063 0.627 -10.168 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.190 -0.635 -11.985 1.00 0.00 C ATOM 735 CZ TYR A 55 24.175 0.185 -11.471 1.00 0.00 C ATOM 736 OH TYR A 55 25.254 0.558 -12.248 1.00 0.00 O ATOM 0 H TYR A 55 21.871 -0.760 -6.797 1.00 0.00 H new ATOM 0 HA TYR A 55 20.575 1.112 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.054 -1.879 -8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.956 -1.226 -9.676 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.908 0.609 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.349 -1.649 -11.624 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.826 1.269 -9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 55 23.264 -0.988 -13.003 1.00 0.00 H new ATOM 0 HH TYR A 55 25.171 0.155 -13.137 1.00 0.00 H new ATOM 746 N ILE A 56 18.240 1.069 -7.657 1.00 0.00 N ATOM 747 CA ILE A 56 16.816 0.974 -7.234 1.00 0.00 C ATOM 748 C ILE A 56 15.913 0.959 -8.472 1.00 0.00 C ATOM 749 O ILE A 56 16.141 1.701 -9.407 1.00 0.00 O ATOM 750 CB ILE A 56 16.464 2.180 -6.361 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.509 3.452 -7.210 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.476 2.293 -5.219 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.090 3.989 -7.396 1.00 0.00 C ATOM 0 H ILE A 56 18.550 1.999 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 56 16.666 0.056 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 56 15.463 2.053 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.133 4.203 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.959 3.239 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.227 3.152 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.446 1.386 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.477 2.422 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.120 4.895 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.480 3.238 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.657 4.217 -6.422 1.00 0.00 H new ATOM 765 N PRO A 57 14.911 0.114 -8.445 1.00 0.00 N ATOM 766 CA PRO A 57 13.964 -0.008 -9.565 1.00 0.00 C ATOM 767 C PRO A 57 13.200 1.307 -9.745 1.00 0.00 C ATOM 768 O PRO A 57 13.299 2.207 -8.934 1.00 0.00 O ATOM 769 CB PRO A 57 13.012 -1.142 -9.158 1.00 0.00 C ATOM 770 CG PRO A 57 13.423 -1.613 -7.738 1.00 0.00 C ATOM 771 CD PRO A 57 14.645 -0.785 -7.306 1.00 0.00 C ATOM 0 HA PRO A 57 14.460 -0.220 -10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.979 -0.795 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.074 -1.967 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.600 -1.475 -7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.664 -2.676 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.439 -0.221 -6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.503 -1.424 -7.098 1.00 0.00 H new ATOM 779 N SER A 58 12.442 1.428 -10.798 1.00 0.00 N ATOM 780 CA SER A 58 11.676 2.685 -11.025 1.00 0.00 C ATOM 781 C SER A 58 10.294 2.581 -10.372 1.00 0.00 C ATOM 782 O SER A 58 9.369 3.273 -10.750 1.00 0.00 O ATOM 783 CB SER A 58 11.523 2.915 -12.533 1.00 0.00 C ATOM 784 OG SER A 58 10.157 2.792 -12.904 1.00 0.00 O ATOM 0 H SER A 58 12.319 0.710 -11.512 1.00 0.00 H new ATOM 0 HA SER A 58 12.212 3.523 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.893 3.905 -12.798 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.125 2.192 -13.083 1.00 0.00 H new ATOM 0 HG SER A 58 9.628 3.470 -12.434 1.00 0.00 H new ATOM 790 N ASN A 59 10.141 1.726 -9.397 1.00 0.00 N ATOM 791 CA ASN A 59 8.811 1.595 -8.735 1.00 0.00 C ATOM 792 C ASN A 59 8.983 1.438 -7.221 1.00 0.00 C ATOM 793 O ASN A 59 8.023 1.259 -6.499 1.00 0.00 O ATOM 794 CB ASN A 59 8.088 0.366 -9.290 1.00 0.00 C ATOM 795 CG ASN A 59 7.070 0.805 -10.343 1.00 0.00 C ATOM 796 OD1 ASN A 59 7.182 1.877 -10.904 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.073 0.015 -10.636 1.00 0.00 N ATOM 0 H ASN A 59 10.873 1.117 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 59 8.227 2.493 -8.935 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.808 -0.324 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.586 -0.168 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.387 0.297 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.980 -0.885 -10.165 1.00 0.00 H new ATOM 804 N TYR A 60 10.191 1.503 -6.730 1.00 0.00 N ATOM 805 CA TYR A 60 10.400 1.355 -5.260 1.00 0.00 C ATOM 806 C TYR A 60 10.892 2.679 -4.671 1.00 0.00 C ATOM 807 O TYR A 60 11.207 2.765 -3.499 1.00 0.00 O ATOM 808 CB TYR A 60 11.437 0.261 -4.998 1.00 0.00 C ATOM 809 CG TYR A 60 10.725 -1.080 -4.808 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.529 -1.335 -5.446 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.269 -2.053 -3.995 1.00 0.00 C ATOM 812 CE1 TYR A 60 8.886 -2.544 -5.274 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.626 -3.263 -3.823 1.00 0.00 C ATOM 814 CZ TYR A 60 9.430 -3.517 -4.461 1.00 0.00 C ATOM 815 OH TYR A 60 8.787 -4.726 -4.290 1.00 0.00 O ATOM 0 H TYR A 60 11.038 1.651 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 60 9.456 1.081 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.135 0.199 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.022 0.504 -4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.092 -0.582 -6.085 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.205 -1.867 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.950 -2.730 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.063 -4.016 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 60 9.311 -5.293 -3.686 1.00 0.00 H new ATOM 825 N VAL A 61 10.958 3.712 -5.468 1.00 0.00 N ATOM 826 CA VAL A 61 11.429 5.028 -4.947 1.00 0.00 C ATOM 827 C VAL A 61 10.429 6.114 -5.332 1.00 0.00 C ATOM 828 O VAL A 61 9.536 5.901 -6.127 1.00 0.00 O ATOM 829 CB VAL A 61 12.796 5.365 -5.546 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.689 5.413 -7.071 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.279 6.722 -5.031 1.00 0.00 C ATOM 0 H VAL A 61 10.706 3.701 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 61 11.514 4.974 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 61 13.509 4.596 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.663 5.653 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.359 4.443 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.968 6.177 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.253 6.950 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.565 7.495 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.364 6.690 -3.945 1.00 0.00 H new ATOM 841 N ALA A 62 10.579 7.275 -4.772 1.00 0.00 N ATOM 842 CA ALA A 62 9.642 8.387 -5.099 1.00 0.00 C ATOM 843 C ALA A 62 10.195 9.704 -4.543 1.00 0.00 C ATOM 844 O ALA A 62 10.792 9.723 -3.485 1.00 0.00 O ATOM 845 CB ALA A 62 8.276 8.103 -4.472 1.00 0.00 C ATOM 0 H ALA A 62 11.310 7.507 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 62 9.537 8.466 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.590 8.916 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.881 7.167 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.382 8.023 -3.390 1.00 0.00 H new ATOM 851 N PRO A 63 9.976 10.770 -5.273 1.00 0.00 N ATOM 852 CA PRO A 63 10.446 12.107 -4.869 1.00 0.00 C ATOM 853 C PRO A 63 9.804 12.514 -3.539 1.00 0.00 C ATOM 854 O PRO A 63 8.708 12.099 -3.215 1.00 0.00 O ATOM 855 CB PRO A 63 9.989 13.044 -5.997 1.00 0.00 C ATOM 856 CG PRO A 63 9.230 12.185 -7.042 1.00 0.00 C ATOM 857 CD PRO A 63 9.242 10.729 -6.552 1.00 0.00 C ATOM 0 HA PRO A 63 11.526 12.140 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.343 13.829 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.846 13.537 -6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.206 12.541 -7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.707 12.263 -8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.230 10.349 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.734 10.074 -7.270 1.00 0.00 H new ATOM 865 N SER A 64 10.477 13.320 -2.767 1.00 0.00 N ATOM 866 CA SER A 64 9.905 13.751 -1.461 1.00 0.00 C ATOM 867 C SER A 64 8.666 14.616 -1.706 1.00 0.00 C ATOM 868 O SER A 64 8.835 15.779 -2.034 1.00 0.00 O ATOM 869 CB SER A 64 10.948 14.562 -0.689 1.00 0.00 C ATOM 870 OG SER A 64 11.919 15.068 -1.595 1.00 0.00 O ATOM 871 OXT SER A 64 7.571 14.100 -1.561 1.00 0.00 O ATOM 0 H SER A 64 11.399 13.699 -2.984 1.00 0.00 H new ATOM 0 HA SER A 64 9.625 12.872 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.466 15.384 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.428 13.936 0.063 1.00 0.00 H new ATOM 0 HG SER A 64 12.585 14.374 -1.782 1.00 0.00 H new TER 877 SER A 64