USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 100 CUCU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 100 CUCU :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0.145 (180deg=0.133) USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= -0.0797 (180deg=-0.722) USER MOD Single : A 7 SER OG : rot 84:sc= -0.633! USER MOD Single : A 15 SER OG : rot 180:sc=-0.00308 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00731 USER MOD Single : A 18 SER OG : rot 180:sc= -0.419 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 53:sc= 0.291 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.258) USER MOD Single : A 31 ASN : amide:sc= -6.93! C(o=-6.9!,f=-5.5!) USER MOD Single : A 32 ASN : amide:sc= 0.427 K(o=0.43,f=-0.92) USER MOD Single : A 38 ASN : amide:sc= -3.24 K(o=-3.2,f=-1.4!) USER MOD Single : A 51 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 125:sc= 1.85 USER MOD Single : A 57 GLN : amide:sc= -9! C(o=-9!,f=-10!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= -0.241 (180deg=-1.06) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -21:sc= 0.477 USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= -0.0364 (180deg=-0.268) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 154:sc= -1.32 (180deg=-2.15) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0252 (180deg=-0.409) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.695 5.812 -31.779 1.00 0.00 N ATOM 2 CA ALA A 1 -3.301 6.937 -31.029 1.00 0.00 C ATOM 3 C ALA A 1 -4.518 6.453 -30.252 1.00 0.00 C ATOM 4 O ALA A 1 -5.116 5.451 -30.593 1.00 0.00 O ATOM 5 CB ALA A 1 -3.751 8.036 -32.005 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.801 6.123 -32.209 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.510 5.021 -31.129 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.348 5.501 -32.526 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.555 7.333 -30.340 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.195 8.859 -31.446 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.890 8.401 -32.565 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.488 7.628 -32.697 1.00 0.00 H new ATOM 13 N GLU A 2 -4.861 7.178 -29.217 1.00 0.00 N ATOM 14 CA GLU A 2 -6.038 6.785 -28.397 1.00 0.00 C ATOM 15 C GLU A 2 -6.864 8.010 -28.024 1.00 0.00 C ATOM 16 O GLU A 2 -6.322 9.066 -27.759 1.00 0.00 O ATOM 17 CB GLU A 2 -5.529 6.120 -27.107 1.00 0.00 C ATOM 18 CG GLU A 2 -5.115 4.678 -27.413 1.00 0.00 C ATOM 19 CD GLU A 2 -4.049 4.234 -26.408 1.00 0.00 C ATOM 20 OE1 GLU A 2 -4.456 3.823 -25.333 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.887 4.333 -26.770 1.00 0.00 O ATOM 0 H GLU A 2 -4.377 8.021 -28.908 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.663 6.100 -28.970 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.682 6.677 -26.706 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.308 6.133 -26.345 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.981 4.019 -27.357 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.726 4.607 -28.429 1.00 0.00 H new ATOM 28 N VAL A 3 -8.164 7.844 -28.014 1.00 0.00 N ATOM 29 CA VAL A 3 -9.057 8.984 -27.663 1.00 0.00 C ATOM 30 C VAL A 3 -10.082 8.559 -26.633 1.00 0.00 C ATOM 31 O VAL A 3 -10.890 7.699 -26.881 1.00 0.00 O ATOM 32 CB VAL A 3 -9.790 9.434 -28.933 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.374 10.830 -28.709 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.799 9.482 -30.096 1.00 0.00 C ATOM 0 H VAL A 3 -8.641 6.970 -28.234 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.458 9.795 -27.250 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.592 8.733 -29.163 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.896 11.155 -29.609 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.074 10.802 -27.874 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.569 11.530 -28.484 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.315 9.801 -31.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.001 10.188 -29.865 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.373 8.491 -30.252 1.00 0.00 H new ATOM 44 N LYS A 4 -10.045 9.187 -25.497 1.00 0.00 N ATOM 45 CA LYS A 4 -10.998 8.811 -24.439 1.00 0.00 C ATOM 46 C LYS A 4 -12.279 9.622 -24.536 1.00 0.00 C ATOM 47 O LYS A 4 -12.264 10.833 -24.384 1.00 0.00 O ATOM 48 CB LYS A 4 -10.344 9.086 -23.075 1.00 0.00 C ATOM 49 CG LYS A 4 -9.400 7.931 -22.725 1.00 0.00 C ATOM 50 CD LYS A 4 -8.789 8.179 -21.344 1.00 0.00 C ATOM 51 CE LYS A 4 -7.271 8.320 -21.486 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.936 9.425 -22.426 1.00 0.00 N ATOM 0 H LYS A 4 -9.398 9.939 -25.261 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.248 7.756 -24.553 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.792 10.025 -23.106 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.109 9.191 -22.306 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.944 6.987 -22.730 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.613 7.849 -23.474 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.211 9.082 -20.903 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.029 7.354 -20.673 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.825 8.516 -20.511 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.845 7.384 -21.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.051 9.880 -22.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.819 9.041 -23.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.704 10.126 -22.425 1.00 0.00 H new ATOM 66 N LEU A 5 -13.366 8.951 -24.812 1.00 0.00 N ATOM 67 CA LEU A 5 -14.645 9.669 -24.885 1.00 0.00 C ATOM 68 C LEU A 5 -15.142 9.968 -23.488 1.00 0.00 C ATOM 69 O LEU A 5 -15.610 9.093 -22.789 1.00 0.00 O ATOM 70 CB LEU A 5 -15.667 8.801 -25.595 1.00 0.00 C ATOM 71 CG LEU A 5 -15.256 8.635 -27.065 1.00 0.00 C ATOM 72 CD1 LEU A 5 -15.584 7.215 -27.524 1.00 0.00 C ATOM 73 CD2 LEU A 5 -16.026 9.639 -27.927 1.00 0.00 C ATOM 0 H LEU A 5 -13.412 7.947 -24.987 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.503 10.602 -25.431 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.733 7.826 -25.111 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.655 9.256 -25.531 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.186 8.815 -27.167 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.293 7.094 -28.568 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.038 6.499 -26.910 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.655 7.038 -27.423 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.734 9.521 -28.971 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.096 9.459 -27.827 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.796 10.652 -27.598 1.00 0.00 H new ATOM 85 N GLY A 6 -15.026 11.202 -23.116 1.00 0.00 N ATOM 86 CA GLY A 6 -15.461 11.619 -21.752 1.00 0.00 C ATOM 87 C GLY A 6 -14.244 11.993 -20.907 1.00 0.00 C ATOM 88 O GLY A 6 -13.246 11.302 -20.913 1.00 0.00 O ATOM 0 H GLY A 6 -14.647 11.950 -23.697 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.140 12.468 -21.822 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.011 10.809 -21.273 1.00 0.00 H new ATOM 92 N SER A 7 -14.348 13.082 -20.201 1.00 0.00 N ATOM 93 CA SER A 7 -13.213 13.506 -19.359 1.00 0.00 C ATOM 94 C SER A 7 -13.156 12.683 -18.080 1.00 0.00 C ATOM 95 O SER A 7 -14.072 11.945 -17.772 1.00 0.00 O ATOM 96 CB SER A 7 -13.414 14.980 -18.990 1.00 0.00 C ATOM 97 OG SER A 7 -14.337 14.944 -17.916 1.00 0.00 O ATOM 0 H SER A 7 -15.167 13.689 -20.174 1.00 0.00 H new ATOM 0 HA SER A 7 -12.283 13.362 -19.909 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.475 15.448 -18.694 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.804 15.552 -19.832 1.00 0.00 H new ATOM 0 HG SER A 7 -13.857 14.777 -17.078 1.00 0.00 H new ATOM 103 N ASP A 8 -12.082 12.821 -17.359 1.00 0.00 N ATOM 104 CA ASP A 8 -11.948 12.056 -16.096 1.00 0.00 C ATOM 105 C ASP A 8 -13.018 12.471 -15.092 1.00 0.00 C ATOM 106 O ASP A 8 -13.682 11.637 -14.509 1.00 0.00 O ATOM 107 CB ASP A 8 -10.565 12.355 -15.498 1.00 0.00 C ATOM 108 CG ASP A 8 -9.487 12.080 -16.548 1.00 0.00 C ATOM 109 OD1 ASP A 8 -9.882 11.745 -17.653 1.00 0.00 O ATOM 110 OD2 ASP A 8 -8.331 12.219 -16.187 1.00 0.00 O ATOM 0 H ASP A 8 -11.295 13.428 -17.589 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.065 10.993 -16.308 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.514 13.394 -15.172 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.396 11.736 -14.617 1.00 0.00 H new ATOM 115 N ASP A 9 -13.167 13.754 -14.910 1.00 0.00 N ATOM 116 CA ASP A 9 -14.185 14.241 -13.946 1.00 0.00 C ATOM 117 C ASP A 9 -15.571 13.712 -14.301 1.00 0.00 C ATOM 118 O ASP A 9 -16.245 13.130 -13.474 1.00 0.00 O ATOM 119 CB ASP A 9 -14.213 15.776 -14.007 1.00 0.00 C ATOM 120 CG ASP A 9 -14.261 16.223 -15.469 1.00 0.00 C ATOM 121 OD1 ASP A 9 -13.245 16.046 -16.122 1.00 0.00 O ATOM 122 OD2 ASP A 9 -15.309 16.716 -15.851 1.00 0.00 O ATOM 0 H ASP A 9 -12.630 14.480 -15.385 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.924 13.890 -12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.081 16.157 -13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.330 16.187 -13.518 1.00 0.00 H new ATOM 127 N GLY A 10 -15.970 13.925 -15.524 1.00 0.00 N ATOM 128 CA GLY A 10 -17.315 13.440 -15.950 1.00 0.00 C ATOM 129 C GLY A 10 -17.833 14.275 -17.120 1.00 0.00 C ATOM 130 O GLY A 10 -18.992 14.195 -17.481 1.00 0.00 O ATOM 0 H GLY A 10 -15.430 14.409 -16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.256 12.391 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.012 13.500 -15.114 1.00 0.00 H new ATOM 134 N GLY A 11 -16.963 15.063 -17.690 1.00 0.00 N ATOM 135 CA GLY A 11 -17.383 15.913 -18.839 1.00 0.00 C ATOM 136 C GLY A 11 -17.483 15.075 -20.114 1.00 0.00 C ATOM 137 O GLY A 11 -16.966 13.976 -20.177 1.00 0.00 O ATOM 0 H GLY A 11 -15.986 15.155 -17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.346 16.376 -18.624 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.666 16.721 -18.983 1.00 0.00 H new ATOM 141 N LEU A 12 -18.146 15.621 -21.107 1.00 0.00 N ATOM 142 CA LEU A 12 -18.300 14.885 -22.392 1.00 0.00 C ATOM 143 C LEU A 12 -17.550 15.590 -23.516 1.00 0.00 C ATOM 144 O LEU A 12 -18.065 16.511 -24.116 1.00 0.00 O ATOM 145 CB LEU A 12 -19.796 14.858 -22.757 1.00 0.00 C ATOM 146 CG LEU A 12 -20.575 14.116 -21.665 1.00 0.00 C ATOM 147 CD1 LEU A 12 -21.912 14.823 -21.434 1.00 0.00 C ATOM 148 CD2 LEU A 12 -20.842 12.673 -22.111 1.00 0.00 C ATOM 0 H LEU A 12 -18.584 16.542 -21.078 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.898 13.879 -22.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.174 15.875 -22.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.938 14.365 -23.719 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.992 14.110 -20.744 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.471 14.300 -20.658 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.731 15.851 -21.120 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.488 14.823 -22.359 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.396 12.148 -21.333 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.426 12.679 -23.031 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.894 12.165 -22.287 1.00 0.00 H new ATOM 160 N VAL A 13 -16.336 15.162 -23.775 1.00 0.00 N ATOM 161 CA VAL A 13 -15.569 15.797 -24.869 1.00 0.00 C ATOM 162 C VAL A 13 -14.609 14.800 -25.488 1.00 0.00 C ATOM 163 O VAL A 13 -14.235 13.828 -24.862 1.00 0.00 O ATOM 164 CB VAL A 13 -14.758 16.974 -24.289 1.00 0.00 C ATOM 165 CG1 VAL A 13 -15.719 18.082 -23.842 1.00 0.00 C ATOM 166 CG2 VAL A 13 -13.946 16.491 -23.081 1.00 0.00 C ATOM 0 H VAL A 13 -15.857 14.411 -23.278 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.262 16.147 -25.634 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.082 17.360 -25.052 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.148 18.915 -23.432 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.300 18.427 -24.697 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.393 17.693 -23.079 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.373 17.323 -22.672 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.623 16.106 -22.318 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.264 15.700 -23.394 1.00 0.00 H new ATOM 176 N PHE A 14 -14.223 15.050 -26.703 1.00 0.00 N ATOM 177 CA PHE A 14 -13.268 14.131 -27.351 1.00 0.00 C ATOM 178 C PHE A 14 -11.887 14.429 -26.811 1.00 0.00 C ATOM 179 O PHE A 14 -11.366 15.506 -27.021 1.00 0.00 O ATOM 180 CB PHE A 14 -13.283 14.397 -28.863 1.00 0.00 C ATOM 181 CG PHE A 14 -14.474 13.668 -29.511 1.00 0.00 C ATOM 182 CD1 PHE A 14 -15.716 14.284 -29.616 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.325 12.381 -30.004 1.00 0.00 C ATOM 184 CE1 PHE A 14 -16.776 13.621 -30.201 1.00 0.00 C ATOM 185 CE2 PHE A 14 -15.390 11.724 -30.586 1.00 0.00 C ATOM 186 CZ PHE A 14 -16.611 12.343 -30.683 1.00 0.00 C ATOM 0 H PHE A 14 -14.526 15.844 -27.267 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.536 13.093 -27.154 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.354 15.468 -29.052 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.349 14.056 -29.310 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.852 15.286 -29.238 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.367 11.888 -29.932 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.737 14.107 -30.281 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.262 10.721 -30.966 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.443 11.826 -31.138 1.00 0.00 H new ATOM 196 N SER A 15 -11.318 13.474 -26.111 1.00 0.00 N ATOM 197 CA SER A 15 -9.989 13.707 -25.502 1.00 0.00 C ATOM 198 C SER A 15 -8.907 12.746 -26.086 1.00 0.00 C ATOM 199 O SER A 15 -8.914 11.576 -25.771 1.00 0.00 O ATOM 200 CB SER A 15 -10.159 13.412 -24.003 1.00 0.00 C ATOM 201 OG SER A 15 -11.444 13.930 -23.701 1.00 0.00 O ATOM 0 H SER A 15 -11.721 12.553 -25.942 1.00 0.00 H new ATOM 0 HA SER A 15 -9.657 14.726 -25.702 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.099 12.343 -23.796 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.383 13.895 -23.409 1.00 0.00 H new ATOM 0 HG SER A 15 -11.641 13.783 -22.752 1.00 0.00 H new ATOM 207 N PRO A 16 -7.975 13.251 -26.937 1.00 0.00 N ATOM 208 CA PRO A 16 -7.894 14.664 -27.372 1.00 0.00 C ATOM 209 C PRO A 16 -9.096 15.054 -28.225 1.00 0.00 C ATOM 210 O PRO A 16 -9.928 14.228 -28.542 1.00 0.00 O ATOM 211 CB PRO A 16 -6.625 14.733 -28.251 1.00 0.00 C ATOM 212 CG PRO A 16 -6.046 13.294 -28.354 1.00 0.00 C ATOM 213 CD PRO A 16 -6.941 12.379 -27.509 1.00 0.00 C ATOM 0 HA PRO A 16 -7.872 15.336 -26.514 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.865 15.121 -29.241 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.892 15.410 -27.813 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.027 12.961 -29.392 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.018 13.267 -27.992 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.386 11.594 -28.120 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.367 11.886 -26.724 1.00 0.00 H new ATOM 221 N SER A 17 -9.163 16.307 -28.586 1.00 0.00 N ATOM 222 CA SER A 17 -10.290 16.761 -29.440 1.00 0.00 C ATOM 223 C SER A 17 -9.876 16.714 -30.904 1.00 0.00 C ATOM 224 O SER A 17 -10.662 16.376 -31.772 1.00 0.00 O ATOM 225 CB SER A 17 -10.638 18.211 -29.063 1.00 0.00 C ATOM 226 OG SER A 17 -10.128 18.358 -27.745 1.00 0.00 O ATOM 0 H SER A 17 -8.490 17.029 -28.327 1.00 0.00 H new ATOM 0 HA SER A 17 -11.152 16.112 -29.288 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.179 18.923 -29.750 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.714 18.384 -29.096 1.00 0.00 H new ATOM 0 HG SER A 17 -10.308 19.266 -27.424 1.00 0.00 H new ATOM 232 N SER A 18 -8.641 17.056 -31.148 1.00 0.00 N ATOM 233 CA SER A 18 -8.129 17.028 -32.536 1.00 0.00 C ATOM 234 C SER A 18 -6.657 16.622 -32.540 1.00 0.00 C ATOM 235 O SER A 18 -5.908 17.003 -31.662 1.00 0.00 O ATOM 236 CB SER A 18 -8.263 18.436 -33.132 1.00 0.00 C ATOM 237 OG SER A 18 -9.506 18.906 -32.631 1.00 0.00 O ATOM 0 H SER A 18 -7.968 17.353 -30.442 1.00 0.00 H new ATOM 0 HA SER A 18 -8.699 16.308 -33.123 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.439 19.080 -32.823 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.256 18.410 -34.222 1.00 0.00 H new ATOM 0 HG SER A 18 -9.672 19.812 -32.966 1.00 0.00 H new ATOM 243 N PHE A 19 -6.259 15.853 -33.525 1.00 0.00 N ATOM 244 CA PHE A 19 -4.841 15.414 -33.559 1.00 0.00 C ATOM 245 C PHE A 19 -4.474 14.834 -34.915 1.00 0.00 C ATOM 246 O PHE A 19 -5.286 14.213 -35.567 1.00 0.00 O ATOM 247 CB PHE A 19 -4.651 14.325 -32.492 1.00 0.00 C ATOM 248 CG PHE A 19 -5.626 13.174 -32.763 1.00 0.00 C ATOM 249 CD1 PHE A 19 -6.963 13.284 -32.416 1.00 0.00 C ATOM 250 CD2 PHE A 19 -5.182 12.006 -33.359 1.00 0.00 C ATOM 251 CE1 PHE A 19 -7.836 12.245 -32.662 1.00 0.00 C ATOM 252 CE2 PHE A 19 -6.060 10.969 -33.603 1.00 0.00 C ATOM 253 CZ PHE A 19 -7.385 11.090 -33.255 1.00 0.00 C ATOM 0 H PHE A 19 -6.846 15.519 -34.290 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.201 16.276 -33.369 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.625 13.959 -32.509 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.826 14.739 -31.499 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.324 14.189 -31.950 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.143 11.905 -33.635 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.876 12.339 -32.388 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.706 10.061 -34.068 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.071 10.278 -33.448 1.00 0.00 H new ATOM 263 N THR A 20 -3.253 15.044 -35.311 1.00 0.00 N ATOM 264 CA THR A 20 -2.814 14.522 -36.615 1.00 0.00 C ATOM 265 C THR A 20 -2.236 13.115 -36.482 1.00 0.00 C ATOM 266 O THR A 20 -1.906 12.675 -35.399 1.00 0.00 O ATOM 267 CB THR A 20 -1.721 15.448 -37.151 1.00 0.00 C ATOM 268 OG1 THR A 20 -0.508 14.917 -36.658 1.00 0.00 O ATOM 269 CG2 THR A 20 -1.819 16.841 -36.511 1.00 0.00 C ATOM 0 H THR A 20 -2.546 15.555 -34.783 1.00 0.00 H new ATOM 0 HA THR A 20 -3.671 14.480 -37.287 1.00 0.00 H new ATOM 0 HB THR A 20 -1.799 15.520 -38.236 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.241 15.468 -36.969 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.031 17.480 -36.909 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.791 17.279 -36.739 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.705 16.754 -35.431 1.00 0.00 H new ATOM 277 N VAL A 21 -2.127 12.432 -37.594 1.00 0.00 N ATOM 278 CA VAL A 21 -1.563 11.059 -37.560 1.00 0.00 C ATOM 279 C VAL A 21 -0.860 10.734 -38.870 1.00 0.00 C ATOM 280 O VAL A 21 -0.881 11.516 -39.801 1.00 0.00 O ATOM 281 CB VAL A 21 -2.709 10.059 -37.355 1.00 0.00 C ATOM 282 CG1 VAL A 21 -3.357 10.302 -35.991 1.00 0.00 C ATOM 283 CG2 VAL A 21 -3.750 10.261 -38.454 1.00 0.00 C ATOM 0 H VAL A 21 -2.404 12.768 -38.516 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.841 10.994 -36.746 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.322 9.041 -37.397 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.171 9.593 -35.843 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.613 10.169 -35.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.749 11.318 -35.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.568 9.554 -38.315 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.138 11.278 -38.405 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.288 10.095 -39.427 1.00 0.00 H new ATOM 293 N ALA A 22 -0.248 9.583 -38.921 1.00 0.00 N ATOM 294 CA ALA A 22 0.462 9.190 -40.162 1.00 0.00 C ATOM 295 C ALA A 22 -0.460 8.413 -41.091 1.00 0.00 C ATOM 296 O ALA A 22 -1.324 7.689 -40.644 1.00 0.00 O ATOM 297 CB ALA A 22 1.645 8.288 -39.776 1.00 0.00 C ATOM 0 H ALA A 22 -0.211 8.904 -38.161 1.00 0.00 H new ATOM 0 HA ALA A 22 0.802 10.088 -40.678 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.182 7.987 -40.676 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.319 8.835 -39.117 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.274 7.402 -39.261 1.00 0.00 H new ATOM 303 N ALA A 23 -0.263 8.585 -42.371 1.00 0.00 N ATOM 304 CA ALA A 23 -1.116 7.859 -43.348 1.00 0.00 C ATOM 305 C ALA A 23 -0.890 6.353 -43.256 1.00 0.00 C ATOM 306 O ALA A 23 -0.251 5.765 -44.106 1.00 0.00 O ATOM 307 CB ALA A 23 -0.742 8.330 -44.761 1.00 0.00 C ATOM 0 H ALA A 23 0.448 9.193 -42.778 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.163 8.067 -43.128 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.358 7.808 -45.493 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.912 9.404 -44.843 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.309 8.113 -44.950 1.00 0.00 H new ATOM 313 N GLY A 24 -1.419 5.757 -42.224 1.00 0.00 N ATOM 314 CA GLY A 24 -1.250 4.289 -42.053 1.00 0.00 C ATOM 315 C GLY A 24 -1.157 3.963 -40.569 1.00 0.00 C ATOM 316 O GLY A 24 -0.677 2.917 -40.182 1.00 0.00 O ATOM 0 H GLY A 24 -1.959 6.222 -41.494 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.091 3.760 -42.501 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.350 3.952 -42.568 1.00 0.00 H new ATOM 320 N GLU A 25 -1.626 4.880 -39.772 1.00 0.00 N ATOM 321 CA GLU A 25 -1.577 4.679 -38.310 1.00 0.00 C ATOM 322 C GLU A 25 -2.903 4.145 -37.788 1.00 0.00 C ATOM 323 O GLU A 25 -3.949 4.427 -38.339 1.00 0.00 O ATOM 324 CB GLU A 25 -1.306 6.044 -37.663 1.00 0.00 C ATOM 325 CG GLU A 25 -0.880 5.850 -36.201 1.00 0.00 C ATOM 326 CD GLU A 25 0.567 6.311 -36.027 1.00 0.00 C ATOM 327 OE1 GLU A 25 0.787 7.493 -36.237 1.00 0.00 O ATOM 328 OE2 GLU A 25 1.372 5.456 -35.696 1.00 0.00 O ATOM 0 H GLU A 25 -2.041 5.760 -40.077 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.797 3.956 -38.068 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.525 6.569 -38.213 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.201 6.664 -37.712 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.536 6.418 -35.541 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.975 4.801 -35.919 1.00 0.00 H new ATOM 335 N LYS A 26 -2.836 3.384 -36.729 1.00 0.00 N ATOM 336 CA LYS A 26 -4.083 2.830 -36.151 1.00 0.00 C ATOM 337 C LYS A 26 -4.594 3.720 -35.027 1.00 0.00 C ATOM 338 O LYS A 26 -3.831 4.170 -34.197 1.00 0.00 O ATOM 339 CB LYS A 26 -3.774 1.437 -35.577 1.00 0.00 C ATOM 340 CG LYS A 26 -2.300 1.377 -35.175 1.00 0.00 C ATOM 341 CD LYS A 26 -2.076 0.155 -34.280 1.00 0.00 C ATOM 342 CE LYS A 26 -0.590 0.052 -33.927 1.00 0.00 C ATOM 343 NZ LYS A 26 -0.383 0.294 -32.471 1.00 0.00 N ATOM 0 H LYS A 26 -1.976 3.126 -36.245 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.845 2.773 -36.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.408 1.237 -34.713 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.993 0.668 -36.318 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.670 1.314 -36.062 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.017 2.287 -34.647 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.672 0.241 -33.372 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.404 -0.750 -34.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.214 -0.935 -34.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.021 0.778 -34.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.630 0.221 -32.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.724 1.245 -32.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.911 -0.415 -31.923 1.00 0.00 H new ATOM 357 N ILE A 27 -5.885 3.955 -35.028 1.00 0.00 N ATOM 358 CA ILE A 27 -6.486 4.809 -33.972 1.00 0.00 C ATOM 359 C ILE A 27 -7.492 3.994 -33.184 1.00 0.00 C ATOM 360 O ILE A 27 -8.071 3.072 -33.710 1.00 0.00 O ATOM 361 CB ILE A 27 -7.197 5.985 -34.661 1.00 0.00 C ATOM 362 CG1 ILE A 27 -6.204 7.112 -34.898 1.00 0.00 C ATOM 363 CG2 ILE A 27 -8.324 6.513 -33.749 1.00 0.00 C ATOM 364 CD1 ILE A 27 -6.633 7.913 -36.128 1.00 0.00 C ATOM 0 H ILE A 27 -6.542 3.589 -35.717 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.719 5.179 -33.292 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.611 5.643 -35.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.159 7.762 -34.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.203 6.706 -35.045 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.827 7.347 -34.238 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.043 5.716 -33.560 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.899 6.850 -32.804 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.923 8.722 -36.301 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.656 7.258 -36.999 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.626 8.331 -35.962 1.00 0.00 H new ATOM 376 N THR A 28 -7.677 4.333 -31.936 1.00 0.00 N ATOM 377 CA THR A 28 -8.644 3.560 -31.117 1.00 0.00 C ATOM 378 C THR A 28 -9.419 4.454 -30.175 1.00 0.00 C ATOM 379 O THR A 28 -8.856 5.098 -29.313 1.00 0.00 O ATOM 380 CB THR A 28 -7.866 2.530 -30.290 1.00 0.00 C ATOM 381 OG1 THR A 28 -6.747 3.226 -29.783 1.00 0.00 O ATOM 382 CG2 THR A 28 -7.264 1.434 -31.188 1.00 0.00 C ATOM 0 H THR A 28 -7.206 5.101 -31.457 1.00 0.00 H new ATOM 0 HA THR A 28 -9.354 3.077 -31.788 1.00 0.00 H new ATOM 0 HB THR A 28 -8.526 2.088 -29.544 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.047 4.041 -29.329 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.718 0.719 -30.573 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.064 0.919 -31.720 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.583 1.887 -31.908 1.00 0.00 H new ATOM 390 N PHE A 29 -10.708 4.475 -30.359 1.00 0.00 N ATOM 391 CA PHE A 29 -11.554 5.291 -29.468 1.00 0.00 C ATOM 392 C PHE A 29 -11.853 4.503 -28.210 1.00 0.00 C ATOM 393 O PHE A 29 -12.336 3.401 -28.282 1.00 0.00 O ATOM 394 CB PHE A 29 -12.882 5.590 -30.186 1.00 0.00 C ATOM 395 CG PHE A 29 -12.662 6.663 -31.253 1.00 0.00 C ATOM 396 CD1 PHE A 29 -12.717 8.005 -30.920 1.00 0.00 C ATOM 397 CD2 PHE A 29 -12.408 6.305 -32.565 1.00 0.00 C ATOM 398 CE1 PHE A 29 -12.522 8.972 -31.885 1.00 0.00 C ATOM 399 CE2 PHE A 29 -12.213 7.275 -33.527 1.00 0.00 C ATOM 400 CZ PHE A 29 -12.269 8.606 -33.186 1.00 0.00 C ATOM 0 H PHE A 29 -11.205 3.962 -31.087 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.041 6.219 -29.215 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.271 4.681 -30.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.628 5.927 -29.466 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.914 8.297 -29.899 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.362 5.261 -32.838 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.568 10.017 -31.618 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.016 6.988 -34.549 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.114 9.364 -33.940 1.00 0.00 H new ATOM 410 N LYS A 30 -11.551 5.081 -27.083 1.00 0.00 N ATOM 411 CA LYS A 30 -11.791 4.376 -25.798 1.00 0.00 C ATOM 412 C LYS A 30 -12.920 5.037 -25.032 1.00 0.00 C ATOM 413 O LYS A 30 -12.968 6.238 -24.910 1.00 0.00 O ATOM 414 CB LYS A 30 -10.500 4.477 -24.957 1.00 0.00 C ATOM 415 CG LYS A 30 -10.646 3.654 -23.664 1.00 0.00 C ATOM 416 CD LYS A 30 -10.757 2.162 -24.006 1.00 0.00 C ATOM 417 CE LYS A 30 -10.173 1.344 -22.850 1.00 0.00 C ATOM 418 NZ LYS A 30 -10.891 1.650 -21.580 1.00 0.00 N ATOM 0 H LYS A 30 -11.147 6.014 -26.997 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.060 3.338 -25.994 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.651 4.113 -25.535 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.296 5.520 -24.713 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.787 3.825 -23.015 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.530 3.977 -23.114 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.799 1.890 -24.172 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.220 1.946 -24.930 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.253 0.280 -23.073 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.112 1.567 -22.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.736 0.879 -20.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.530 2.541 -21.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.909 1.744 -21.771 1.00 0.00 H new ATOM 432 N ASN A 31 -13.812 4.244 -24.535 1.00 0.00 N ATOM 433 CA ASN A 31 -14.931 4.814 -23.765 1.00 0.00 C ATOM 434 C ASN A 31 -14.554 4.919 -22.296 1.00 0.00 C ATOM 435 O ASN A 31 -14.545 3.936 -21.583 1.00 0.00 O ATOM 436 CB ASN A 31 -16.136 3.884 -23.918 1.00 0.00 C ATOM 437 CG ASN A 31 -16.905 4.278 -25.181 1.00 0.00 C ATOM 438 OD1 ASN A 31 -16.336 4.436 -26.244 1.00 0.00 O ATOM 439 ND2 ASN A 31 -18.195 4.445 -25.112 1.00 0.00 N ATOM 0 H ASN A 31 -13.814 3.228 -24.629 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.168 5.811 -24.135 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.807 2.847 -23.985 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.783 3.957 -23.044 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.721 4.706 -25.946 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.679 4.314 -24.224 1.00 0.00 H new ATOM 446 N ASN A 32 -14.243 6.116 -21.863 1.00 0.00 N ATOM 447 CA ASN A 32 -13.845 6.291 -20.446 1.00 0.00 C ATOM 448 C ASN A 32 -15.050 6.577 -19.561 1.00 0.00 C ATOM 449 O ASN A 32 -15.063 6.222 -18.399 1.00 0.00 O ATOM 450 CB ASN A 32 -12.876 7.478 -20.363 1.00 0.00 C ATOM 451 CG ASN A 32 -13.126 8.247 -19.062 1.00 0.00 C ATOM 452 OD1 ASN A 32 -12.871 7.756 -17.981 1.00 0.00 O ATOM 453 ND2 ASN A 32 -13.625 9.451 -19.124 1.00 0.00 N ATOM 0 H ASN A 32 -14.249 6.966 -22.427 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.377 5.371 -20.096 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.846 7.124 -20.397 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.015 8.136 -21.220 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.799 9.976 -18.267 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.841 9.868 -20.030 1.00 0.00 H new ATOM 460 N ALA A 33 -16.041 7.216 -20.117 1.00 0.00 N ATOM 461 CA ALA A 33 -17.240 7.526 -19.306 1.00 0.00 C ATOM 462 C ALA A 33 -18.154 8.493 -20.034 1.00 0.00 C ATOM 463 O ALA A 33 -17.697 9.335 -20.773 1.00 0.00 O ATOM 464 CB ALA A 33 -16.779 8.178 -17.993 1.00 0.00 C ATOM 0 H ALA A 33 -16.069 7.532 -21.086 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.789 6.603 -19.118 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.648 8.415 -17.380 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.130 7.489 -17.453 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.231 9.094 -18.214 1.00 0.00 H new ATOM 470 N GLY A 34 -19.437 8.345 -19.820 1.00 0.00 N ATOM 471 CA GLY A 34 -20.407 9.264 -20.486 1.00 0.00 C ATOM 472 C GLY A 34 -21.263 8.521 -21.515 1.00 0.00 C ATOM 473 O GLY A 34 -22.174 9.095 -22.080 1.00 0.00 O ATOM 0 H GLY A 34 -19.851 7.634 -19.218 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.052 9.721 -19.735 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.866 10.073 -20.977 1.00 0.00 H new ATOM 477 N PHE A 35 -20.963 7.265 -21.749 1.00 0.00 N ATOM 478 CA PHE A 35 -21.778 6.519 -22.740 1.00 0.00 C ATOM 479 C PHE A 35 -23.272 6.755 -22.463 1.00 0.00 C ATOM 480 O PHE A 35 -23.633 7.196 -21.389 1.00 0.00 O ATOM 481 CB PHE A 35 -21.473 5.006 -22.619 1.00 0.00 C ATOM 482 CG PHE A 35 -20.498 4.736 -21.476 1.00 0.00 C ATOM 483 CD1 PHE A 35 -19.137 4.826 -21.687 1.00 0.00 C ATOM 484 CD2 PHE A 35 -20.964 4.389 -20.219 1.00 0.00 C ATOM 485 CE1 PHE A 35 -18.253 4.573 -20.660 1.00 0.00 C ATOM 486 CE2 PHE A 35 -20.078 4.138 -19.192 1.00 0.00 C ATOM 487 CZ PHE A 35 -18.725 4.228 -19.413 1.00 0.00 C ATOM 0 H PHE A 35 -20.208 6.741 -21.306 1.00 0.00 H new ATOM 0 HA PHE A 35 -21.534 6.867 -23.744 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -22.399 4.457 -22.450 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -21.052 4.640 -23.555 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.762 5.096 -22.663 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -22.027 4.314 -20.042 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.189 4.645 -20.833 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -20.448 3.870 -18.213 1.00 0.00 H new ATOM 0 HZ PHE A 35 -18.032 4.028 -18.609 1.00 0.00 H new ATOM 497 N PRO A 36 -24.129 6.461 -23.439 1.00 0.00 N ATOM 498 CA PRO A 36 -23.732 5.935 -24.759 1.00 0.00 C ATOM 499 C PRO A 36 -23.167 7.023 -25.670 1.00 0.00 C ATOM 500 O PRO A 36 -23.694 8.115 -25.737 1.00 0.00 O ATOM 501 CB PRO A 36 -25.049 5.418 -25.375 1.00 0.00 C ATOM 502 CG PRO A 36 -26.212 5.913 -24.459 1.00 0.00 C ATOM 503 CD PRO A 36 -25.572 6.597 -23.240 1.00 0.00 C ATOM 0 HA PRO A 36 -22.955 5.178 -24.655 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -25.172 5.794 -26.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -25.044 4.330 -25.436 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -26.855 6.609 -24.997 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -26.838 5.077 -24.146 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -25.864 7.645 -23.178 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -25.888 6.123 -22.311 1.00 0.00 H new ATOM 511 N HIS A 37 -22.107 6.686 -26.366 1.00 0.00 N ATOM 512 CA HIS A 37 -21.478 7.678 -27.281 1.00 0.00 C ATOM 513 C HIS A 37 -21.819 7.391 -28.738 1.00 0.00 C ATOM 514 O HIS A 37 -22.488 6.426 -29.047 1.00 0.00 O ATOM 515 CB HIS A 37 -19.959 7.598 -27.117 1.00 0.00 C ATOM 516 CG HIS A 37 -19.544 8.432 -25.922 1.00 0.00 C ATOM 517 ND1 HIS A 37 -19.873 9.743 -25.795 1.00 0.00 N ATOM 518 CD2 HIS A 37 -18.788 8.048 -24.843 1.00 0.00 C ATOM 519 CE1 HIS A 37 -19.289 10.053 -24.648 1.00 0.00 C ATOM 520 NE2 HIS A 37 -18.686 9.068 -24.136 1.00 0.00 N ATOM 0 H HIS A 37 -21.656 5.772 -26.337 1.00 0.00 H new ATOM 0 HA HIS A 37 -21.856 8.668 -27.025 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -19.650 6.562 -26.978 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -19.464 7.960 -28.018 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -18.371 7.071 -24.649 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -19.324 11.036 -24.201 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.178 9.104 -23.252 1.00 0.00 H new ATOM 528 N ASN A 38 -21.345 8.243 -29.607 1.00 0.00 N ATOM 529 CA ASN A 38 -21.610 8.051 -31.053 1.00 0.00 C ATOM 530 C ASN A 38 -20.508 8.703 -31.882 1.00 0.00 C ATOM 531 O ASN A 38 -20.039 9.771 -31.549 1.00 0.00 O ATOM 532 CB ASN A 38 -22.951 8.721 -31.394 1.00 0.00 C ATOM 533 CG ASN A 38 -23.658 7.918 -32.487 1.00 0.00 C ATOM 534 OD1 ASN A 38 -24.755 7.431 -32.303 1.00 0.00 O ATOM 535 ND2 ASN A 38 -23.064 7.758 -33.637 1.00 0.00 N ATOM 0 H ASN A 38 -20.786 9.063 -29.373 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.641 6.985 -31.279 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -23.579 8.776 -30.505 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.784 9.744 -31.730 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.521 7.226 -34.377 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -22.142 8.165 -33.796 1.00 0.00 H new ATOM 542 N ILE A 39 -20.110 8.043 -32.946 1.00 0.00 N ATOM 543 CA ILE A 39 -19.031 8.615 -33.805 1.00 0.00 C ATOM 544 C ILE A 39 -19.406 8.542 -35.279 1.00 0.00 C ATOM 545 O ILE A 39 -19.272 7.510 -35.905 1.00 0.00 O ATOM 546 CB ILE A 39 -17.750 7.800 -33.583 1.00 0.00 C ATOM 547 CG1 ILE A 39 -17.423 7.746 -32.096 1.00 0.00 C ATOM 548 CG2 ILE A 39 -16.584 8.497 -34.316 1.00 0.00 C ATOM 549 CD1 ILE A 39 -17.898 6.406 -31.520 1.00 0.00 C ATOM 0 H ILE A 39 -20.483 7.144 -33.251 1.00 0.00 H new ATOM 0 HA ILE A 39 -18.885 9.661 -33.535 1.00 0.00 H new ATOM 0 HB ILE A 39 -17.894 6.789 -33.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.350 7.860 -31.944 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.908 8.571 -31.575 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.667 7.927 -34.166 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.806 8.553 -35.382 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.454 9.504 -33.919 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.665 6.364 -30.456 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.975 6.311 -31.660 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.392 5.589 -32.034 1.00 0.00 H new ATOM 561 N VAL A 40 -19.873 9.649 -35.798 1.00 0.00 N ATOM 562 CA VAL A 40 -20.257 9.699 -37.234 1.00 0.00 C ATOM 563 C VAL A 40 -19.456 10.775 -37.944 1.00 0.00 C ATOM 564 O VAL A 40 -19.051 11.742 -37.333 1.00 0.00 O ATOM 565 CB VAL A 40 -21.749 10.050 -37.328 1.00 0.00 C ATOM 566 CG1 VAL A 40 -22.279 9.624 -38.697 1.00 0.00 C ATOM 567 CG2 VAL A 40 -22.512 9.298 -36.236 1.00 0.00 C ATOM 0 H VAL A 40 -20.004 10.521 -35.285 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.059 8.734 -37.700 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.885 11.124 -37.198 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -23.338 9.871 -38.770 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.730 10.148 -39.479 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -22.148 8.549 -38.820 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.572 9.544 -36.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -22.379 8.225 -36.373 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.129 9.589 -35.258 1.00 0.00 H new ATOM 577 N PHE A 41 -19.249 10.595 -39.225 1.00 0.00 N ATOM 578 CA PHE A 41 -18.454 11.592 -39.987 1.00 0.00 C ATOM 579 C PHE A 41 -19.340 12.470 -40.862 1.00 0.00 C ATOM 580 O PHE A 41 -20.075 11.983 -41.698 1.00 0.00 O ATOM 581 CB PHE A 41 -17.465 10.833 -40.884 1.00 0.00 C ATOM 582 CG PHE A 41 -16.256 10.401 -40.050 1.00 0.00 C ATOM 583 CD1 PHE A 41 -16.413 9.501 -39.014 1.00 0.00 C ATOM 584 CD2 PHE A 41 -14.992 10.903 -40.318 1.00 0.00 C ATOM 585 CE1 PHE A 41 -15.329 9.104 -38.260 1.00 0.00 C ATOM 586 CE2 PHE A 41 -13.908 10.500 -39.557 1.00 0.00 C ATOM 587 CZ PHE A 41 -14.081 9.603 -38.533 1.00 0.00 C ATOM 0 H PHE A 41 -19.596 9.805 -39.768 1.00 0.00 H new ATOM 0 HA PHE A 41 -17.935 12.238 -39.279 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -17.949 9.961 -41.323 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -17.144 11.468 -41.710 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -17.393 9.105 -38.793 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -14.853 11.610 -41.122 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.463 8.399 -37.453 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.924 10.892 -39.770 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.234 9.290 -37.941 1.00 0.00 H new ATOM 597 N ASP A 42 -19.247 13.758 -40.648 1.00 0.00 N ATOM 598 CA ASP A 42 -20.059 14.698 -41.458 1.00 0.00 C ATOM 599 C ASP A 42 -19.789 14.491 -42.943 1.00 0.00 C ATOM 600 O ASP A 42 -18.679 14.673 -43.404 1.00 0.00 O ATOM 601 CB ASP A 42 -19.650 16.131 -41.071 1.00 0.00 C ATOM 602 CG ASP A 42 -20.405 17.132 -41.943 1.00 0.00 C ATOM 603 OD1 ASP A 42 -21.472 16.758 -42.401 1.00 0.00 O ATOM 604 OD2 ASP A 42 -19.872 18.221 -42.099 1.00 0.00 O ATOM 0 H ASP A 42 -18.645 14.192 -39.949 1.00 0.00 H new ATOM 0 HA ASP A 42 -21.118 14.526 -41.268 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.870 16.311 -40.019 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.575 16.260 -41.198 1.00 0.00 H new ATOM 609 N GLU A 43 -20.807 14.119 -43.670 1.00 0.00 N ATOM 610 CA GLU A 43 -20.618 13.885 -45.125 1.00 0.00 C ATOM 611 C GLU A 43 -20.449 15.202 -45.879 1.00 0.00 C ATOM 612 O GLU A 43 -20.748 15.281 -47.055 1.00 0.00 O ATOM 613 CB GLU A 43 -21.864 13.161 -45.668 1.00 0.00 C ATOM 614 CG GLU A 43 -21.637 12.788 -47.139 1.00 0.00 C ATOM 615 CD GLU A 43 -22.027 11.323 -47.357 1.00 0.00 C ATOM 616 OE1 GLU A 43 -23.216 11.098 -47.519 1.00 0.00 O ATOM 617 OE2 GLU A 43 -21.115 10.512 -47.351 1.00 0.00 O ATOM 0 H GLU A 43 -21.753 13.969 -43.321 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.719 13.286 -45.270 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.062 12.264 -45.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.740 13.803 -45.575 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.231 13.434 -47.786 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.592 12.942 -47.408 1.00 0.00 H new ATOM 624 N ASP A 44 -19.975 16.212 -45.184 1.00 0.00 N ATOM 625 CA ASP A 44 -19.773 17.534 -45.841 1.00 0.00 C ATOM 626 C ASP A 44 -18.363 18.060 -45.579 1.00 0.00 C ATOM 627 O ASP A 44 -18.015 19.144 -46.000 1.00 0.00 O ATOM 628 CB ASP A 44 -20.790 18.528 -45.258 1.00 0.00 C ATOM 629 CG ASP A 44 -22.148 18.315 -45.931 1.00 0.00 C ATOM 630 OD1 ASP A 44 -22.139 18.202 -47.147 1.00 0.00 O ATOM 631 OD2 ASP A 44 -23.119 18.275 -45.193 1.00 0.00 O ATOM 0 H ASP A 44 -19.722 16.173 -44.197 1.00 0.00 H new ATOM 0 HA ASP A 44 -19.909 17.421 -46.917 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -20.879 18.386 -44.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.449 19.551 -45.417 1.00 0.00 H new ATOM 636 N GLU A 45 -17.578 17.280 -44.882 1.00 0.00 N ATOM 637 CA GLU A 45 -16.200 17.705 -44.592 1.00 0.00 C ATOM 638 C GLU A 45 -15.270 16.496 -44.540 1.00 0.00 C ATOM 639 O GLU A 45 -14.555 16.300 -43.577 1.00 0.00 O ATOM 640 CB GLU A 45 -16.192 18.385 -43.225 1.00 0.00 C ATOM 641 CG GLU A 45 -16.886 19.754 -43.312 1.00 0.00 C ATOM 642 CD GLU A 45 -16.372 20.649 -42.182 1.00 0.00 C ATOM 643 OE1 GLU A 45 -15.164 20.810 -42.126 1.00 0.00 O ATOM 644 OE2 GLU A 45 -17.217 21.125 -41.440 1.00 0.00 O ATOM 0 H GLU A 45 -17.842 16.369 -44.506 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.856 18.383 -45.373 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.701 17.756 -42.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.166 18.510 -42.878 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.686 20.216 -44.279 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.967 19.633 -43.234 1.00 0.00 H new ATOM 651 N VAL A 46 -15.308 15.713 -45.581 1.00 0.00 N ATOM 652 CA VAL A 46 -14.447 14.498 -45.642 1.00 0.00 C ATOM 653 C VAL A 46 -13.791 14.421 -47.048 1.00 0.00 C ATOM 654 O VAL A 46 -14.383 14.848 -48.019 1.00 0.00 O ATOM 655 CB VAL A 46 -15.397 13.268 -45.402 1.00 0.00 C ATOM 656 CG1 VAL A 46 -15.267 12.227 -46.532 1.00 0.00 C ATOM 657 CG2 VAL A 46 -15.071 12.594 -44.056 1.00 0.00 C ATOM 0 H VAL A 46 -15.901 15.863 -46.397 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.652 14.515 -44.897 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.420 13.644 -45.389 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.937 11.390 -46.335 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.532 12.688 -47.484 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.240 11.866 -46.578 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.737 11.744 -43.904 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.037 12.248 -44.063 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.208 13.312 -43.247 1.00 0.00 H new ATOM 667 N PRO A 47 -12.573 13.876 -47.139 1.00 0.00 N ATOM 668 CA PRO A 47 -11.887 13.781 -48.427 1.00 0.00 C ATOM 669 C PRO A 47 -12.795 13.220 -49.518 1.00 0.00 C ATOM 670 O PRO A 47 -13.565 12.310 -49.285 1.00 0.00 O ATOM 671 CB PRO A 47 -10.704 12.820 -48.176 1.00 0.00 C ATOM 672 CG PRO A 47 -10.679 12.508 -46.647 1.00 0.00 C ATOM 673 CD PRO A 47 -11.829 13.304 -46.002 1.00 0.00 C ATOM 0 HA PRO A 47 -11.570 14.764 -48.776 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.824 11.903 -48.754 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.765 13.275 -48.491 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.804 11.440 -46.470 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.721 12.794 -46.211 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.466 12.659 -45.396 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.449 14.086 -45.344 1.00 0.00 H new ATOM 681 N ALA A 48 -12.683 13.783 -50.694 1.00 0.00 N ATOM 682 CA ALA A 48 -13.526 13.306 -51.819 1.00 0.00 C ATOM 683 C ALA A 48 -13.038 11.958 -52.329 1.00 0.00 C ATOM 684 O ALA A 48 -12.307 11.883 -53.297 1.00 0.00 O ATOM 685 CB ALA A 48 -13.430 14.330 -52.962 1.00 0.00 C ATOM 0 H ALA A 48 -12.047 14.548 -50.918 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.554 13.196 -51.472 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.043 13.998 -53.800 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.786 15.299 -52.613 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.393 14.419 -53.284 1.00 0.00 H new ATOM 691 N GLY A 49 -13.452 10.914 -51.669 1.00 0.00 N ATOM 692 CA GLY A 49 -13.021 9.556 -52.098 1.00 0.00 C ATOM 693 C GLY A 49 -13.147 8.576 -50.935 1.00 0.00 C ATOM 694 O GLY A 49 -13.453 7.416 -51.126 1.00 0.00 O ATOM 0 H GLY A 49 -14.067 10.941 -50.856 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.632 9.219 -52.936 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.989 9.587 -52.448 1.00 0.00 H new ATOM 698 N VAL A 50 -12.912 9.066 -49.750 1.00 0.00 N ATOM 699 CA VAL A 50 -13.016 8.185 -48.563 1.00 0.00 C ATOM 700 C VAL A 50 -14.445 8.154 -48.039 1.00 0.00 C ATOM 701 O VAL A 50 -14.926 9.124 -47.488 1.00 0.00 O ATOM 702 CB VAL A 50 -12.098 8.741 -47.466 1.00 0.00 C ATOM 703 CG1 VAL A 50 -12.082 7.769 -46.286 1.00 0.00 C ATOM 704 CG2 VAL A 50 -10.680 8.881 -48.020 1.00 0.00 C ATOM 0 H VAL A 50 -12.654 10.034 -49.556 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.724 7.173 -48.842 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.463 9.714 -47.138 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.431 8.158 -45.503 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.093 7.655 -45.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.710 6.800 -46.618 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.024 9.276 -47.244 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.317 7.905 -48.341 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.687 9.563 -48.871 1.00 0.00 H new ATOM 714 N ASN A 51 -15.102 7.041 -48.221 1.00 0.00 N ATOM 715 CA ASN A 51 -16.500 6.939 -47.738 1.00 0.00 C ATOM 716 C ASN A 51 -16.599 7.356 -46.279 1.00 0.00 C ATOM 717 O ASN A 51 -15.640 7.254 -45.537 1.00 0.00 O ATOM 718 CB ASN A 51 -16.957 5.479 -47.868 1.00 0.00 C ATOM 719 CG ASN A 51 -17.690 5.295 -49.198 1.00 0.00 C ATOM 720 OD1 ASN A 51 -17.222 4.612 -50.088 1.00 0.00 O ATOM 721 ND2 ASN A 51 -18.839 5.887 -49.375 1.00 0.00 N ATOM 0 H ASN A 51 -14.732 6.208 -48.679 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.130 7.599 -48.334 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.097 4.811 -47.818 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.613 5.216 -47.038 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -19.340 5.775 -50.257 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.237 6.461 -48.632 1.00 0.00 H new ATOM 728 N ALA A 52 -17.764 7.816 -45.894 1.00 0.00 N ATOM 729 CA ALA A 52 -17.963 8.254 -44.486 1.00 0.00 C ATOM 730 C ALA A 52 -18.896 7.300 -43.747 1.00 0.00 C ATOM 731 O ALA A 52 -19.093 7.421 -42.555 1.00 0.00 O ATOM 732 CB ALA A 52 -18.604 9.649 -44.511 1.00 0.00 C ATOM 0 H ALA A 52 -18.582 7.905 -46.496 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.002 8.266 -43.973 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.762 9.995 -43.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.945 10.343 -45.032 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.562 9.600 -45.029 1.00 0.00 H new ATOM 738 N GLU A 53 -19.457 6.368 -44.470 1.00 0.00 N ATOM 739 CA GLU A 53 -20.382 5.402 -43.826 1.00 0.00 C ATOM 740 C GLU A 53 -19.631 4.176 -43.322 1.00 0.00 C ATOM 741 O GLU A 53 -20.147 3.410 -42.532 1.00 0.00 O ATOM 742 CB GLU A 53 -21.412 4.951 -44.873 1.00 0.00 C ATOM 743 CG GLU A 53 -21.932 6.178 -45.623 1.00 0.00 C ATOM 744 CD GLU A 53 -21.086 6.396 -46.878 1.00 0.00 C ATOM 745 OE1 GLU A 53 -21.217 5.573 -47.768 1.00 0.00 O ATOM 746 OE2 GLU A 53 -20.356 7.374 -46.876 1.00 0.00 O ATOM 0 H GLU A 53 -19.314 6.237 -45.471 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.864 5.886 -42.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.956 4.249 -45.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.237 4.429 -44.388 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.978 6.036 -45.895 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.886 7.058 -44.981 1.00 0.00 H new ATOM 753 N LYS A 54 -18.423 4.010 -43.786 1.00 0.00 N ATOM 754 CA LYS A 54 -17.629 2.838 -43.345 1.00 0.00 C ATOM 755 C LYS A 54 -16.781 3.183 -42.125 1.00 0.00 C ATOM 756 O LYS A 54 -16.485 2.330 -41.312 1.00 0.00 O ATOM 757 CB LYS A 54 -16.698 2.425 -44.495 1.00 0.00 C ATOM 758 CG LYS A 54 -17.346 1.277 -45.276 1.00 0.00 C ATOM 759 CD LYS A 54 -16.625 1.111 -46.617 1.00 0.00 C ATOM 760 CE LYS A 54 -17.279 2.022 -47.659 1.00 0.00 C ATOM 761 NZ LYS A 54 -18.395 1.315 -48.343 1.00 0.00 N ATOM 0 H LYS A 54 -17.957 4.632 -44.447 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.308 2.028 -43.078 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.516 3.273 -45.155 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.730 2.113 -44.102 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.289 0.352 -44.702 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.403 1.485 -45.441 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.570 1.362 -46.509 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.674 0.072 -46.943 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.654 2.925 -47.177 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.537 2.337 -48.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.827 1.947 -49.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.028 0.466 -48.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.111 1.036 -47.642 1.00 0.00 H new ATOM 775 N ILE A 55 -16.409 4.431 -42.022 1.00 0.00 N ATOM 776 CA ILE A 55 -15.578 4.857 -40.866 1.00 0.00 C ATOM 777 C ILE A 55 -16.438 5.500 -39.782 1.00 0.00 C ATOM 778 O ILE A 55 -15.934 5.932 -38.763 1.00 0.00 O ATOM 779 CB ILE A 55 -14.561 5.889 -41.364 1.00 0.00 C ATOM 780 CG1 ILE A 55 -15.259 6.908 -42.255 1.00 0.00 C ATOM 781 CG2 ILE A 55 -13.487 5.162 -42.197 1.00 0.00 C ATOM 782 CD1 ILE A 55 -14.294 8.051 -42.573 1.00 0.00 C ATOM 0 H ILE A 55 -16.645 5.168 -42.686 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.082 3.984 -40.442 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.108 6.396 -40.512 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.593 6.433 -43.177 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.147 7.296 -41.756 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.756 5.885 -42.558 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.986 4.419 -41.576 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.958 4.667 -43.046 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.792 8.781 -43.211 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.982 8.532 -41.646 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.419 7.656 -43.089 1.00 0.00 H new ATOM 794 N SER A 56 -17.722 5.552 -40.019 1.00 0.00 N ATOM 795 CA SER A 56 -18.625 6.160 -39.018 1.00 0.00 C ATOM 796 C SER A 56 -19.211 5.100 -38.093 1.00 0.00 C ATOM 797 O SER A 56 -18.903 3.930 -38.208 1.00 0.00 O ATOM 798 CB SER A 56 -19.774 6.850 -39.768 1.00 0.00 C ATOM 799 OG SER A 56 -19.242 8.114 -40.128 1.00 0.00 O ATOM 0 H SER A 56 -18.177 5.199 -40.861 1.00 0.00 H new ATOM 0 HA SER A 56 -18.061 6.871 -38.414 1.00 0.00 H new ATOM 0 HB2 SER A 56 -20.076 6.280 -40.646 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.656 6.954 -39.137 1.00 0.00 H new ATOM 0 HG SER A 56 -19.323 8.239 -41.097 1.00 0.00 H new ATOM 805 N GLN A 57 -20.047 5.537 -37.191 1.00 0.00 N ATOM 806 CA GLN A 57 -20.675 4.589 -36.239 1.00 0.00 C ATOM 807 C GLN A 57 -22.150 4.950 -36.022 1.00 0.00 C ATOM 808 O GLN A 57 -22.531 5.404 -34.961 1.00 0.00 O ATOM 809 CB GLN A 57 -19.937 4.705 -34.894 1.00 0.00 C ATOM 810 CG GLN A 57 -18.474 4.284 -35.083 1.00 0.00 C ATOM 811 CD GLN A 57 -17.862 3.945 -33.718 1.00 0.00 C ATOM 812 OE1 GLN A 57 -18.536 3.947 -32.709 1.00 0.00 O ATOM 813 NE2 GLN A 57 -16.591 3.644 -33.645 1.00 0.00 N ATOM 0 H GLN A 57 -20.320 6.513 -37.075 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.613 3.576 -36.637 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.988 5.729 -34.525 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.416 4.072 -34.147 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.415 3.420 -35.745 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.911 5.088 -35.557 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.018 3.640 -34.489 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.173 3.413 -32.744 1.00 0.00 H new ATOM 822 N PRO A 58 -22.958 4.737 -37.050 1.00 0.00 N ATOM 823 CA PRO A 58 -24.383 5.061 -36.983 1.00 0.00 C ATOM 824 C PRO A 58 -25.086 4.295 -35.871 1.00 0.00 C ATOM 825 O PRO A 58 -26.136 4.697 -35.409 1.00 0.00 O ATOM 826 CB PRO A 58 -24.950 4.638 -38.356 1.00 0.00 C ATOM 827 CG PRO A 58 -23.747 4.165 -39.229 1.00 0.00 C ATOM 828 CD PRO A 58 -22.504 4.158 -38.324 1.00 0.00 C ATOM 0 HA PRO A 58 -24.537 6.118 -36.767 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -25.679 3.836 -38.240 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -25.466 5.472 -38.832 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -23.933 3.171 -39.634 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -23.601 4.833 -40.078 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -22.123 3.146 -38.184 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -21.696 4.746 -38.759 1.00 0.00 H new ATOM 836 N GLU A 59 -24.500 3.208 -35.457 1.00 0.00 N ATOM 837 CA GLU A 59 -25.125 2.420 -34.370 1.00 0.00 C ATOM 838 C GLU A 59 -24.588 2.868 -33.020 1.00 0.00 C ATOM 839 O GLU A 59 -23.439 2.633 -32.701 1.00 0.00 O ATOM 840 CB GLU A 59 -24.776 0.937 -34.577 1.00 0.00 C ATOM 841 CG GLU A 59 -26.051 0.099 -34.445 1.00 0.00 C ATOM 842 CD GLU A 59 -26.688 0.358 -33.077 1.00 0.00 C ATOM 843 OE1 GLU A 59 -25.923 0.616 -32.164 1.00 0.00 O ATOM 844 OE2 GLU A 59 -27.905 0.284 -33.024 1.00 0.00 O ATOM 0 H GLU A 59 -23.623 2.836 -35.823 1.00 0.00 H new ATOM 0 HA GLU A 59 -26.205 2.568 -34.391 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -24.329 0.790 -35.560 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.038 0.618 -33.841 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.752 0.355 -35.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -25.817 -0.960 -34.555 1.00 0.00 H new ATOM 851 N TYR A 60 -25.427 3.514 -32.251 1.00 0.00 N ATOM 852 CA TYR A 60 -24.983 3.986 -30.924 1.00 0.00 C ATOM 853 C TYR A 60 -24.164 2.920 -30.214 1.00 0.00 C ATOM 854 O TYR A 60 -24.155 1.772 -30.614 1.00 0.00 O ATOM 855 CB TYR A 60 -26.226 4.284 -30.079 1.00 0.00 C ATOM 856 CG TYR A 60 -27.169 5.202 -30.854 1.00 0.00 C ATOM 857 CD1 TYR A 60 -26.973 6.567 -30.856 1.00 0.00 C ATOM 858 CD2 TYR A 60 -28.228 4.676 -31.564 1.00 0.00 C ATOM 859 CE1 TYR A 60 -27.826 7.395 -31.557 1.00 0.00 C ATOM 860 CE2 TYR A 60 -29.081 5.504 -32.263 1.00 0.00 C ATOM 861 CZ TYR A 60 -28.888 6.868 -32.265 1.00 0.00 C ATOM 862 OH TYR A 60 -29.742 7.696 -32.964 1.00 0.00 O ATOM 0 H TYR A 60 -26.394 3.730 -32.491 1.00 0.00 H new ATOM 0 HA TYR A 60 -24.366 4.875 -31.053 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -26.736 3.355 -29.825 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -25.935 4.755 -29.140 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -26.146 6.991 -30.305 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -28.390 3.608 -31.573 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -27.662 8.462 -31.552 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -29.907 5.079 -32.814 1.00 0.00 H new ATOM 0 HH TYR A 60 -30.432 7.157 -33.405 1.00 0.00 H new ATOM 872 N LEU A 61 -23.491 3.321 -29.173 1.00 0.00 N ATOM 873 CA LEU A 61 -22.669 2.352 -28.412 1.00 0.00 C ATOM 874 C LEU A 61 -22.790 2.628 -26.919 1.00 0.00 C ATOM 875 O LEU A 61 -22.967 3.756 -26.513 1.00 0.00 O ATOM 876 CB LEU A 61 -21.192 2.501 -28.876 1.00 0.00 C ATOM 877 CG LEU A 61 -20.438 3.525 -27.997 1.00 0.00 C ATOM 878 CD1 LEU A 61 -19.938 2.854 -26.699 1.00 0.00 C ATOM 879 CD2 LEU A 61 -19.231 4.045 -28.778 1.00 0.00 C ATOM 0 H LEU A 61 -23.477 4.278 -28.819 1.00 0.00 H new ATOM 0 HA LEU A 61 -23.013 1.334 -28.596 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -20.691 1.534 -28.825 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -21.164 2.820 -29.918 1.00 0.00 H new ATOM 0 HG LEU A 61 -21.113 4.341 -27.739 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.409 3.588 -26.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.789 2.464 -26.140 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.263 2.036 -26.949 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.689 4.769 -28.170 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.572 3.213 -29.025 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.571 4.524 -29.696 1.00 0.00 H new ATOM 891 N ASN A 62 -22.698 1.597 -26.128 1.00 0.00 N ATOM 892 CA ASN A 62 -22.820 1.800 -24.663 1.00 0.00 C ATOM 893 C ASN A 62 -21.989 0.780 -23.897 1.00 0.00 C ATOM 894 O ASN A 62 -22.246 0.507 -22.739 1.00 0.00 O ATOM 895 CB ASN A 62 -24.302 1.632 -24.282 1.00 0.00 C ATOM 896 CG ASN A 62 -25.104 1.259 -25.530 1.00 0.00 C ATOM 897 OD1 ASN A 62 -24.895 0.222 -26.128 1.00 0.00 O ATOM 898 ND2 ASN A 62 -26.029 2.075 -25.956 1.00 0.00 N ATOM 0 H ASN A 62 -22.545 0.635 -26.429 1.00 0.00 H new ATOM 0 HA ASN A 62 -22.456 2.795 -24.406 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -24.409 0.858 -23.522 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -24.686 2.557 -23.851 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.572 1.841 -26.787 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -26.209 2.947 -25.458 1.00 0.00 H new ATOM 905 N GLY A 63 -21.002 0.239 -24.548 1.00 0.00 N ATOM 906 CA GLY A 63 -20.148 -0.766 -23.864 1.00 0.00 C ATOM 907 C GLY A 63 -19.072 -0.071 -23.030 1.00 0.00 C ATOM 908 O GLY A 63 -18.091 0.410 -23.557 1.00 0.00 O ATOM 0 H GLY A 63 -20.751 0.446 -25.515 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.762 -1.399 -23.223 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.681 -1.418 -24.602 1.00 0.00 H new ATOM 912 N ALA A 64 -19.282 -0.021 -21.744 1.00 0.00 N ATOM 913 CA ALA A 64 -18.275 0.628 -20.876 1.00 0.00 C ATOM 914 C ALA A 64 -16.922 -0.040 -21.053 1.00 0.00 C ATOM 915 O ALA A 64 -16.744 -1.188 -20.697 1.00 0.00 O ATOM 916 CB ALA A 64 -18.719 0.477 -19.413 1.00 0.00 C ATOM 0 H ALA A 64 -20.100 -0.399 -21.265 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.190 1.681 -21.145 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.986 0.951 -18.760 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.689 0.954 -19.276 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.797 -0.581 -19.164 1.00 0.00 H new ATOM 922 N GLY A 65 -15.991 0.691 -21.602 1.00 0.00 N ATOM 923 CA GLY A 65 -14.640 0.109 -21.822 1.00 0.00 C ATOM 924 C GLY A 65 -14.505 -0.380 -23.266 1.00 0.00 C ATOM 925 O GLY A 65 -13.411 -0.577 -23.756 1.00 0.00 O ATOM 0 H GLY A 65 -16.107 1.658 -21.905 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.875 0.856 -21.610 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.476 -0.719 -21.133 1.00 0.00 H new ATOM 929 N GLU A 66 -15.622 -0.566 -23.921 1.00 0.00 N ATOM 930 CA GLU A 66 -15.567 -1.038 -25.329 1.00 0.00 C ATOM 931 C GLU A 66 -14.926 0.018 -26.210 1.00 0.00 C ATOM 932 O GLU A 66 -15.329 1.165 -26.196 1.00 0.00 O ATOM 933 CB GLU A 66 -17.008 -1.300 -25.824 1.00 0.00 C ATOM 934 CG GLU A 66 -16.988 -1.693 -27.316 1.00 0.00 C ATOM 935 CD GLU A 66 -16.023 -2.862 -27.533 1.00 0.00 C ATOM 936 OE1 GLU A 66 -16.011 -3.724 -26.670 1.00 0.00 O ATOM 937 OE2 GLU A 66 -15.351 -2.826 -28.552 1.00 0.00 O ATOM 0 H GLU A 66 -16.557 -0.413 -23.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.975 -1.952 -25.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.465 -2.096 -25.236 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.618 -0.408 -25.682 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.990 -1.972 -27.641 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.682 -0.840 -27.922 1.00 0.00 H new ATOM 944 N THR A 67 -13.939 -0.390 -26.965 1.00 0.00 N ATOM 945 CA THR A 67 -13.244 0.574 -27.856 1.00 0.00 C ATOM 946 C THR A 67 -13.540 0.289 -29.323 1.00 0.00 C ATOM 947 O THR A 67 -14.058 -0.755 -29.666 1.00 0.00 O ATOM 948 CB THR A 67 -11.741 0.428 -27.634 1.00 0.00 C ATOM 949 OG1 THR A 67 -11.279 -0.357 -28.715 1.00 0.00 O ATOM 950 CG2 THR A 67 -11.454 -0.422 -26.387 1.00 0.00 C ATOM 0 H THR A 67 -13.588 -1.347 -27.000 1.00 0.00 H new ATOM 0 HA THR A 67 -13.592 1.580 -27.621 1.00 0.00 H new ATOM 0 HB THR A 67 -11.283 1.413 -27.538 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.311 -0.489 -28.634 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.377 -0.513 -26.248 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.893 0.056 -25.512 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.888 -1.414 -26.515 1.00 0.00 H new ATOM 958 N TYR A 68 -13.200 1.236 -30.161 1.00 0.00 N ATOM 959 CA TYR A 68 -13.429 1.057 -31.620 1.00 0.00 C ATOM 960 C TYR A 68 -12.201 1.518 -32.385 1.00 0.00 C ATOM 961 O TYR A 68 -11.613 2.518 -32.042 1.00 0.00 O ATOM 962 CB TYR A 68 -14.628 1.908 -32.043 1.00 0.00 C ATOM 963 CG TYR A 68 -15.026 1.525 -33.470 1.00 0.00 C ATOM 964 CD1 TYR A 68 -14.437 2.145 -34.551 1.00 0.00 C ATOM 965 CD2 TYR A 68 -15.983 0.557 -33.695 1.00 0.00 C ATOM 966 CE1 TYR A 68 -14.798 1.801 -35.837 1.00 0.00 C ATOM 967 CE2 TYR A 68 -16.343 0.213 -34.982 1.00 0.00 C ATOM 968 CZ TYR A 68 -15.753 0.832 -36.063 1.00 0.00 C ATOM 969 OH TYR A 68 -16.113 0.492 -37.351 1.00 0.00 O ATOM 0 H TYR A 68 -12.774 2.124 -29.894 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.621 0.006 -31.835 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.464 1.747 -31.362 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.375 2.967 -31.993 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.687 2.906 -34.390 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.454 0.065 -32.857 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.328 2.295 -36.675 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.093 -0.547 -35.143 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.798 -0.208 -37.325 1.00 0.00 H new ATOM 979 N GLU A 69 -11.840 0.788 -33.414 1.00 0.00 N ATOM 980 CA GLU A 69 -10.623 1.170 -34.188 1.00 0.00 C ATOM 981 C GLU A 69 -10.953 1.724 -35.565 1.00 0.00 C ATOM 982 O GLU A 69 -12.013 1.481 -36.108 1.00 0.00 O ATOM 983 CB GLU A 69 -9.757 -0.082 -34.363 1.00 0.00 C ATOM 984 CG GLU A 69 -9.630 -0.796 -33.015 1.00 0.00 C ATOM 985 CD GLU A 69 -10.496 -2.056 -33.027 1.00 0.00 C ATOM 986 OE1 GLU A 69 -10.041 -3.019 -33.619 1.00 0.00 O ATOM 987 OE2 GLU A 69 -11.564 -1.984 -32.440 1.00 0.00 O ATOM 0 H GLU A 69 -12.329 -0.043 -33.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.106 1.954 -33.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.204 -0.748 -35.101 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.771 0.192 -34.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.589 -1.058 -32.826 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.943 -0.133 -32.208 1.00 0.00 H new ATOM 994 N VAL A 70 -10.018 2.470 -36.100 1.00 0.00 N ATOM 995 CA VAL A 70 -10.210 3.055 -37.450 1.00 0.00 C ATOM 996 C VAL A 70 -8.851 3.434 -38.028 1.00 0.00 C ATOM 997 O VAL A 70 -8.005 3.957 -37.327 1.00 0.00 O ATOM 998 CB VAL A 70 -11.135 4.315 -37.332 1.00 0.00 C ATOM 999 CG1 VAL A 70 -10.360 5.609 -37.603 1.00 0.00 C ATOM 1000 CG2 VAL A 70 -12.262 4.197 -38.359 1.00 0.00 C ATOM 0 H VAL A 70 -9.129 2.696 -35.653 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.683 2.333 -38.115 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.529 4.355 -36.317 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.033 6.462 -37.513 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.551 5.707 -36.879 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.944 5.580 -38.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.913 5.068 -38.287 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.837 4.144 -39.361 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.841 3.295 -38.162 1.00 0.00 H new ATOM 1010 N THR A 71 -8.656 3.142 -39.291 1.00 0.00 N ATOM 1011 CA THR A 71 -7.353 3.462 -39.928 1.00 0.00 C ATOM 1012 C THR A 71 -7.544 4.262 -41.207 1.00 0.00 C ATOM 1013 O THR A 71 -7.798 3.706 -42.257 1.00 0.00 O ATOM 1014 CB THR A 71 -6.670 2.142 -40.275 1.00 0.00 C ATOM 1015 OG1 THR A 71 -6.802 1.340 -39.119 1.00 0.00 O ATOM 1016 CG2 THR A 71 -5.158 2.337 -40.439 1.00 0.00 C ATOM 0 H THR A 71 -9.343 2.698 -39.901 1.00 0.00 H new ATOM 0 HA THR A 71 -6.755 4.059 -39.239 1.00 0.00 H new ATOM 0 HB THR A 71 -7.102 1.730 -41.187 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.382 0.469 -39.276 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.693 1.383 -40.686 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.968 3.051 -41.240 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.737 2.716 -39.508 1.00 0.00 H new ATOM 1024 N LEU A 72 -7.414 5.555 -41.099 1.00 0.00 N ATOM 1025 CA LEU A 72 -7.574 6.402 -42.301 1.00 0.00 C ATOM 1026 C LEU A 72 -6.284 6.413 -43.098 1.00 0.00 C ATOM 1027 O LEU A 72 -5.228 6.119 -42.574 1.00 0.00 O ATOM 1028 CB LEU A 72 -7.909 7.842 -41.861 1.00 0.00 C ATOM 1029 CG LEU A 72 -9.133 7.828 -40.915 1.00 0.00 C ATOM 1030 CD1 LEU A 72 -9.188 9.137 -40.132 1.00 0.00 C ATOM 1031 CD2 LEU A 72 -10.415 7.694 -41.735 1.00 0.00 C ATOM 0 H LEU A 72 -7.205 6.054 -40.234 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.377 6.003 -42.921 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.052 8.287 -41.355 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.119 8.459 -42.734 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.042 6.986 -40.229 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.051 9.126 -39.466 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.277 9.248 -39.544 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.276 9.973 -40.826 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.275 7.684 -41.066 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.498 8.537 -42.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.387 6.765 -42.304 1.00 0.00 H new ATOM 1043 N THR A 73 -6.382 6.750 -44.350 1.00 0.00 N ATOM 1044 CA THR A 73 -5.161 6.757 -45.186 1.00 0.00 C ATOM 1045 C THR A 73 -5.247 7.781 -46.311 1.00 0.00 C ATOM 1046 O THR A 73 -5.013 7.461 -47.459 1.00 0.00 O ATOM 1047 CB THR A 73 -5.001 5.366 -45.803 1.00 0.00 C ATOM 1048 OG1 THR A 73 -6.275 5.037 -46.320 1.00 0.00 O ATOM 1049 CG2 THR A 73 -4.742 4.314 -44.714 1.00 0.00 C ATOM 0 H THR A 73 -7.245 7.017 -44.824 1.00 0.00 H new ATOM 0 HA THR A 73 -4.312 7.021 -44.556 1.00 0.00 H new ATOM 0 HB THR A 73 -4.187 5.374 -46.528 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.241 4.150 -46.735 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.631 3.333 -45.175 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.829 4.566 -44.174 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.581 4.296 -44.019 1.00 0.00 H new ATOM 1057 N GLU A 74 -5.585 8.992 -45.968 1.00 0.00 N ATOM 1058 CA GLU A 74 -5.665 10.044 -47.015 1.00 0.00 C ATOM 1059 C GLU A 74 -5.245 11.385 -46.441 1.00 0.00 C ATOM 1060 O GLU A 74 -6.013 12.045 -45.777 1.00 0.00 O ATOM 1061 CB GLU A 74 -7.118 10.134 -47.523 1.00 0.00 C ATOM 1062 CG GLU A 74 -7.108 10.583 -48.980 1.00 0.00 C ATOM 1063 CD GLU A 74 -6.604 9.439 -49.861 1.00 0.00 C ATOM 1064 OE1 GLU A 74 -7.420 8.582 -50.156 1.00 0.00 O ATOM 1065 OE2 GLU A 74 -5.429 9.487 -50.189 1.00 0.00 O ATOM 0 H GLU A 74 -5.807 9.295 -45.020 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.997 9.788 -47.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.610 9.166 -47.431 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.686 10.839 -46.916 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.111 10.879 -49.288 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.468 11.457 -49.098 1.00 0.00 H new ATOM 1072 N LYS A 75 -4.024 11.761 -46.704 1.00 0.00 N ATOM 1073 CA LYS A 75 -3.532 13.049 -46.168 1.00 0.00 C ATOM 1074 C LYS A 75 -4.589 14.136 -46.301 1.00 0.00 C ATOM 1075 O LYS A 75 -4.932 14.550 -47.388 1.00 0.00 O ATOM 1076 CB LYS A 75 -2.256 13.475 -46.939 1.00 0.00 C ATOM 1077 CG LYS A 75 -2.477 13.342 -48.462 1.00 0.00 C ATOM 1078 CD LYS A 75 -1.125 13.472 -49.191 1.00 0.00 C ATOM 1079 CE LYS A 75 -0.626 14.925 -49.118 1.00 0.00 C ATOM 1080 NZ LYS A 75 -1.706 15.877 -49.508 1.00 0.00 N ATOM 0 H LYS A 75 -3.354 11.233 -47.263 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.304 12.917 -45.110 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.001 14.505 -46.691 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.414 12.855 -46.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.935 12.380 -48.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.165 14.113 -48.809 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.392 12.804 -48.738 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.233 13.168 -50.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.287 15.147 -48.106 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.233 15.053 -49.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.282 16.777 -49.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.259 15.473 -50.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.330 16.046 -48.694 1.00 0.00 H new ATOM 1094 N GLY A 76 -5.097 14.573 -45.182 1.00 0.00 N ATOM 1095 CA GLY A 76 -6.140 15.629 -45.222 1.00 0.00 C ATOM 1096 C GLY A 76 -6.781 15.782 -43.850 1.00 0.00 C ATOM 1097 O GLY A 76 -6.130 15.608 -42.842 1.00 0.00 O ATOM 0 H GLY A 76 -4.837 14.247 -44.251 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.699 16.576 -45.534 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.900 15.373 -45.961 1.00 0.00 H new ATOM 1101 N THR A 77 -8.051 16.096 -43.840 1.00 0.00 N ATOM 1102 CA THR A 77 -8.754 16.271 -42.544 1.00 0.00 C ATOM 1103 C THR A 77 -10.152 15.672 -42.597 1.00 0.00 C ATOM 1104 O THR A 77 -10.855 15.817 -43.578 1.00 0.00 O ATOM 1105 CB THR A 77 -8.876 17.773 -42.263 1.00 0.00 C ATOM 1106 OG1 THR A 77 -8.340 18.411 -43.403 1.00 0.00 O ATOM 1107 CG2 THR A 77 -7.949 18.195 -41.114 1.00 0.00 C ATOM 0 H THR A 77 -8.625 16.237 -44.671 1.00 0.00 H new ATOM 0 HA THR A 77 -8.188 15.765 -41.762 1.00 0.00 H new ATOM 0 HB THR A 77 -9.911 18.020 -42.027 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.390 19.383 -43.288 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.055 19.265 -40.935 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.217 17.648 -40.210 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.916 17.972 -41.380 1.00 0.00 H new ATOM 1115 N TYR A 78 -10.525 15.004 -41.531 1.00 0.00 N ATOM 1116 CA TYR A 78 -11.873 14.391 -41.469 1.00 0.00 C ATOM 1117 C TYR A 78 -12.621 14.959 -40.275 1.00 0.00 C ATOM 1118 O TYR A 78 -12.013 15.274 -39.257 1.00 0.00 O ATOM 1119 CB TYR A 78 -11.746 12.866 -41.261 1.00 0.00 C ATOM 1120 CG TYR A 78 -10.670 12.248 -42.182 1.00 0.00 C ATOM 1121 CD1 TYR A 78 -9.333 12.598 -42.064 1.00 0.00 C ATOM 1122 CD2 TYR A 78 -11.029 11.322 -43.144 1.00 0.00 C ATOM 1123 CE1 TYR A 78 -8.390 12.035 -42.890 1.00 0.00 C ATOM 1124 CE2 TYR A 78 -10.075 10.760 -43.963 1.00 0.00 C ATOM 1125 CZ TYR A 78 -8.750 11.113 -43.841 1.00 0.00 C ATOM 1126 OH TYR A 78 -7.798 10.545 -44.651 1.00 0.00 O ATOM 0 H TYR A 78 -9.946 14.861 -40.703 1.00 0.00 H new ATOM 0 HA TYR A 78 -12.401 14.603 -42.399 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -11.495 12.661 -40.220 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -12.708 12.391 -41.456 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.031 13.318 -41.318 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.065 11.037 -43.254 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.353 12.321 -42.790 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.369 10.036 -44.708 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.002 11.116 -44.670 1.00 0.00 H new ATOM 1136 N LYS A 79 -13.923 15.072 -40.408 1.00 0.00 N ATOM 1137 CA LYS A 79 -14.732 15.628 -39.286 1.00 0.00 C ATOM 1138 C LYS A 79 -15.643 14.587 -38.681 1.00 0.00 C ATOM 1139 O LYS A 79 -16.442 13.994 -39.369 1.00 0.00 O ATOM 1140 CB LYS A 79 -15.638 16.755 -39.839 1.00 0.00 C ATOM 1141 CG LYS A 79 -14.803 17.977 -40.232 1.00 0.00 C ATOM 1142 CD LYS A 79 -14.064 18.498 -39.010 1.00 0.00 C ATOM 1143 CE LYS A 79 -13.955 20.020 -39.092 1.00 0.00 C ATOM 1144 NZ LYS A 79 -15.280 20.652 -38.838 1.00 0.00 N ATOM 0 H LYS A 79 -14.452 14.805 -41.238 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.039 15.987 -38.525 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.191 16.392 -40.706 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.375 17.038 -39.087 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.092 17.709 -41.014 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.447 18.756 -40.640 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.592 18.209 -38.101 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.070 18.054 -38.956 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.229 20.378 -38.363 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.589 20.312 -40.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.486 21.341 -39.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.018 19.919 -38.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.262 21.138 -37.919 1.00 0.00 H new ATOM 1158 N PHE A 80 -15.504 14.385 -37.397 1.00 0.00 N ATOM 1159 CA PHE A 80 -16.392 13.423 -36.708 1.00 0.00 C ATOM 1160 C PHE A 80 -16.850 14.003 -35.390 1.00 0.00 C ATOM 1161 O PHE A 80 -16.226 14.891 -34.848 1.00 0.00 O ATOM 1162 CB PHE A 80 -15.653 12.098 -36.460 1.00 0.00 C ATOM 1163 CG PHE A 80 -14.189 12.355 -36.105 1.00 0.00 C ATOM 1164 CD1 PHE A 80 -13.305 12.836 -37.054 1.00 0.00 C ATOM 1165 CD2 PHE A 80 -13.727 12.104 -34.825 1.00 0.00 C ATOM 1166 CE1 PHE A 80 -11.986 13.062 -36.725 1.00 0.00 C ATOM 1167 CE2 PHE A 80 -12.408 12.332 -34.503 1.00 0.00 C ATOM 1168 CZ PHE A 80 -11.540 12.809 -35.451 1.00 0.00 C ATOM 0 H PHE A 80 -14.814 14.846 -36.803 1.00 0.00 H new ATOM 0 HA PHE A 80 -17.259 13.231 -37.341 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -16.138 11.551 -35.651 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -15.712 11.471 -37.349 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -13.650 13.035 -38.058 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.405 11.727 -34.074 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.302 13.439 -37.471 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.056 12.135 -33.501 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.506 12.986 -35.196 1.00 0.00 H new ATOM 1178 N TYR A 81 -17.929 13.493 -34.895 1.00 0.00 N ATOM 1179 CA TYR A 81 -18.467 14.031 -33.629 1.00 0.00 C ATOM 1180 C TYR A 81 -19.577 13.154 -33.089 1.00 0.00 C ATOM 1181 O TYR A 81 -19.927 12.151 -33.682 1.00 0.00 O ATOM 1182 CB TYR A 81 -19.048 15.419 -33.919 1.00 0.00 C ATOM 1183 CG TYR A 81 -20.163 15.296 -34.964 1.00 0.00 C ATOM 1184 CD1 TYR A 81 -19.858 15.168 -36.306 1.00 0.00 C ATOM 1185 CD2 TYR A 81 -21.488 15.311 -34.581 1.00 0.00 C ATOM 1186 CE1 TYR A 81 -20.862 15.058 -37.244 1.00 0.00 C ATOM 1187 CE2 TYR A 81 -22.492 15.201 -35.524 1.00 0.00 C ATOM 1188 CZ TYR A 81 -22.185 15.074 -36.861 1.00 0.00 C ATOM 1189 OH TYR A 81 -23.188 14.964 -37.801 1.00 0.00 O ATOM 0 H TYR A 81 -18.462 12.729 -35.310 1.00 0.00 H new ATOM 0 HA TYR A 81 -17.666 14.071 -32.891 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -19.440 15.860 -33.003 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -18.265 16.084 -34.283 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -18.825 15.154 -36.622 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.743 15.409 -33.536 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -20.609 14.958 -38.289 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -23.525 15.215 -35.210 1.00 0.00 H new ATOM 0 HH TYR A 81 -24.060 14.993 -37.354 1.00 0.00 H new ATOM 1199 N CYS A 82 -20.116 13.553 -31.965 1.00 0.00 N ATOM 1200 CA CYS A 82 -21.216 12.765 -31.356 1.00 0.00 C ATOM 1201 C CYS A 82 -22.565 13.448 -31.584 1.00 0.00 C ATOM 1202 O CYS A 82 -22.747 14.597 -31.236 1.00 0.00 O ATOM 1203 CB CYS A 82 -20.953 12.676 -29.851 1.00 0.00 C ATOM 1204 SG CYS A 82 -21.542 11.195 -28.993 1.00 0.00 S ATOM 0 H CYS A 82 -19.839 14.388 -31.448 1.00 0.00 H new ATOM 0 HA CYS A 82 -21.249 11.776 -31.812 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -19.878 12.753 -29.691 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -21.409 13.545 -29.377 1.00 0.00 H new ATOM 1209 N GLU A 83 -23.486 12.723 -32.166 1.00 0.00 N ATOM 1210 CA GLU A 83 -24.826 13.310 -32.431 1.00 0.00 C ATOM 1211 C GLU A 83 -25.649 13.529 -31.140 1.00 0.00 C ATOM 1212 O GLU A 83 -26.262 14.565 -30.973 1.00 0.00 O ATOM 1213 CB GLU A 83 -25.605 12.358 -33.358 1.00 0.00 C ATOM 1214 CG GLU A 83 -26.022 13.115 -34.620 1.00 0.00 C ATOM 1215 CD GLU A 83 -26.990 14.237 -34.241 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -28.172 13.939 -34.196 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -26.494 15.329 -34.015 1.00 0.00 O ATOM 0 H GLU A 83 -23.366 11.756 -32.466 1.00 0.00 H new ATOM 0 HA GLU A 83 -24.673 14.286 -32.892 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.986 11.500 -33.622 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -26.485 11.970 -32.845 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -25.144 13.529 -35.116 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -26.496 12.434 -35.327 1.00 0.00 H new ATOM 1224 N PRO A 84 -25.658 12.545 -30.242 1.00 0.00 N ATOM 1225 CA PRO A 84 -26.431 12.664 -29.004 1.00 0.00 C ATOM 1226 C PRO A 84 -25.874 13.751 -28.086 1.00 0.00 C ATOM 1227 O PRO A 84 -26.591 14.637 -27.664 1.00 0.00 O ATOM 1228 CB PRO A 84 -26.294 11.289 -28.315 1.00 0.00 C ATOM 1229 CG PRO A 84 -25.405 10.396 -29.233 1.00 0.00 C ATOM 1230 CD PRO A 84 -24.921 11.275 -30.396 1.00 0.00 C ATOM 0 HA PRO A 84 -27.464 12.938 -29.216 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -25.841 11.397 -27.329 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -27.273 10.834 -28.168 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -24.558 9.996 -28.676 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -25.973 9.544 -29.606 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -23.844 11.435 -30.349 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -25.133 10.809 -31.358 1.00 0.00 H new ATOM 1238 N HIS A 85 -24.605 13.665 -27.794 1.00 0.00 N ATOM 1239 CA HIS A 85 -23.994 14.680 -26.898 1.00 0.00 C ATOM 1240 C HIS A 85 -23.675 15.966 -27.654 1.00 0.00 C ATOM 1241 O HIS A 85 -23.036 16.854 -27.127 1.00 0.00 O ATOM 1242 CB HIS A 85 -22.689 14.099 -26.333 1.00 0.00 C ATOM 1243 CG HIS A 85 -23.014 12.869 -25.472 1.00 0.00 C ATOM 1244 ND1 HIS A 85 -22.424 11.659 -25.662 1.00 0.00 N ATOM 1245 CD2 HIS A 85 -23.899 12.779 -24.415 1.00 0.00 C ATOM 1246 CE1 HIS A 85 -22.992 10.928 -24.711 1.00 0.00 C ATOM 1247 NE2 HIS A 85 -23.824 11.593 -24.023 1.00 0.00 N ATOM 0 H HIS A 85 -23.972 12.942 -28.135 1.00 0.00 H new ATOM 0 HA HIS A 85 -24.699 14.918 -26.102 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.019 13.821 -27.146 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.172 14.850 -25.735 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -24.522 13.564 -24.013 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -22.771 9.885 -24.542 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -24.364 11.209 -23.247 1.00 0.00 H new ATOM 1255 N ALA A 86 -24.125 16.046 -28.877 1.00 0.00 N ATOM 1256 CA ALA A 86 -23.855 17.271 -29.671 1.00 0.00 C ATOM 1257 C ALA A 86 -24.394 18.506 -28.957 1.00 0.00 C ATOM 1258 O ALA A 86 -24.153 19.620 -29.375 1.00 0.00 O ATOM 1259 CB ALA A 86 -24.564 17.141 -31.030 1.00 0.00 C ATOM 0 H ALA A 86 -24.662 15.322 -29.354 1.00 0.00 H new ATOM 0 HA ALA A 86 -22.778 17.379 -29.800 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -24.375 18.034 -31.626 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -24.183 16.266 -31.557 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.637 17.031 -30.872 1.00 0.00 H new ATOM 1265 N GLY A 87 -25.116 18.283 -27.892 1.00 0.00 N ATOM 1266 CA GLY A 87 -25.682 19.437 -27.137 1.00 0.00 C ATOM 1267 C GLY A 87 -24.593 20.113 -26.302 1.00 0.00 C ATOM 1268 O GLY A 87 -24.690 21.281 -25.979 1.00 0.00 O ATOM 0 H GLY A 87 -25.337 17.361 -27.515 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -26.116 20.156 -27.831 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -26.488 19.095 -26.487 1.00 0.00 H new ATOM 1272 N ALA A 88 -23.578 19.365 -25.969 1.00 0.00 N ATOM 1273 CA ALA A 88 -22.481 19.946 -25.160 1.00 0.00 C ATOM 1274 C ALA A 88 -21.400 20.528 -26.062 1.00 0.00 C ATOM 1275 O ALA A 88 -20.795 21.532 -25.737 1.00 0.00 O ATOM 1276 CB ALA A 88 -21.865 18.828 -24.306 1.00 0.00 C ATOM 0 H ALA A 88 -23.464 18.383 -26.222 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.881 20.742 -24.532 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.054 19.236 -23.702 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -22.629 18.407 -23.652 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.474 18.046 -24.957 1.00 0.00 H new ATOM 1282 N GLY A 89 -21.179 19.881 -27.183 1.00 0.00 N ATOM 1283 CA GLY A 89 -20.137 20.375 -28.135 1.00 0.00 C ATOM 1284 C GLY A 89 -19.122 19.270 -28.441 1.00 0.00 C ATOM 1285 O GLY A 89 -18.015 19.540 -28.863 1.00 0.00 O ATOM 0 H GLY A 89 -21.672 19.038 -27.477 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.609 20.709 -29.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.626 21.238 -27.708 1.00 0.00 H new ATOM 1289 N MET A 90 -19.521 18.047 -28.219 1.00 0.00 N ATOM 1290 CA MET A 90 -18.596 16.919 -28.487 1.00 0.00 C ATOM 1291 C MET A 90 -18.228 16.845 -29.965 1.00 0.00 C ATOM 1292 O MET A 90 -19.047 16.482 -30.790 1.00 0.00 O ATOM 1293 CB MET A 90 -19.311 15.620 -28.095 1.00 0.00 C ATOM 1294 CG MET A 90 -18.473 14.887 -27.060 1.00 0.00 C ATOM 1295 SD MET A 90 -19.050 13.265 -26.520 1.00 0.00 S ATOM 1296 CE MET A 90 -17.526 12.355 -26.840 1.00 0.00 C ATOM 0 H MET A 90 -20.442 17.785 -27.866 1.00 0.00 H new ATOM 0 HA MET A 90 -17.681 17.064 -27.912 1.00 0.00 H new ATOM 0 HB2 MET A 90 -20.299 15.841 -27.691 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.459 14.992 -28.973 1.00 0.00 H new ATOM 0 HG2 MET A 90 -17.467 14.769 -27.463 1.00 0.00 H new ATOM 0 HG3 MET A 90 -18.391 15.525 -26.180 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.478 11.484 -26.186 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.508 12.029 -27.880 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.669 13.001 -26.648 1.00 0.00 H new ATOM 1306 N LYS A 91 -16.989 17.184 -30.274 1.00 0.00 N ATOM 1307 CA LYS A 91 -16.544 17.143 -31.701 1.00 0.00 C ATOM 1308 C LYS A 91 -15.215 16.412 -31.848 1.00 0.00 C ATOM 1309 O LYS A 91 -14.495 16.241 -30.896 1.00 0.00 O ATOM 1310 CB LYS A 91 -16.371 18.586 -32.199 1.00 0.00 C ATOM 1311 CG LYS A 91 -17.688 19.341 -32.015 1.00 0.00 C ATOM 1312 CD LYS A 91 -17.985 20.145 -33.281 1.00 0.00 C ATOM 1313 CE LYS A 91 -19.208 21.027 -33.037 1.00 0.00 C ATOM 1314 NZ LYS A 91 -20.390 20.193 -32.679 1.00 0.00 N ATOM 0 H LYS A 91 -16.280 17.483 -29.604 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.295 16.611 -32.284 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.573 19.081 -31.646 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.080 18.589 -33.249 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.499 18.640 -31.816 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.623 20.006 -31.154 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.125 20.760 -33.547 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.167 19.473 -34.119 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.999 21.735 -32.235 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.426 21.612 -33.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.257 20.758 -32.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.437 19.369 -33.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.301 19.870 -31.695 1.00 0.00 H new ATOM 1328 N GLY A 92 -14.913 16.005 -33.057 1.00 0.00 N ATOM 1329 CA GLY A 92 -13.636 15.263 -33.289 1.00 0.00 C ATOM 1330 C GLY A 92 -12.986 15.682 -34.618 1.00 0.00 C ATOM 1331 O GLY A 92 -13.666 16.016 -35.568 1.00 0.00 O ATOM 0 H GLY A 92 -15.490 16.153 -33.885 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.946 15.454 -32.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.831 14.191 -33.298 1.00 0.00 H new ATOM 1335 N GLU A 93 -11.673 15.655 -34.651 1.00 0.00 N ATOM 1336 CA GLU A 93 -10.958 16.043 -35.903 1.00 0.00 C ATOM 1337 C GLU A 93 -9.643 15.281 -36.037 1.00 0.00 C ATOM 1338 O GLU A 93 -8.935 15.110 -35.070 1.00 0.00 O ATOM 1339 CB GLU A 93 -10.625 17.544 -35.813 1.00 0.00 C ATOM 1340 CG GLU A 93 -11.485 18.316 -36.802 1.00 0.00 C ATOM 1341 CD GLU A 93 -11.422 19.809 -36.470 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -10.369 20.373 -36.710 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -12.434 20.299 -35.995 1.00 0.00 O ATOM 0 H GLU A 93 -11.074 15.383 -33.872 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.592 15.815 -36.760 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.803 17.906 -34.800 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.569 17.706 -36.029 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.134 18.143 -37.819 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.516 17.965 -36.757 1.00 0.00 H new ATOM 1350 N VAL A 94 -9.337 14.819 -37.234 1.00 0.00 N ATOM 1351 CA VAL A 94 -8.039 14.090 -37.415 1.00 0.00 C ATOM 1352 C VAL A 94 -7.327 14.556 -38.674 1.00 0.00 C ATOM 1353 O VAL A 94 -7.900 14.589 -39.740 1.00 0.00 O ATOM 1354 CB VAL A 94 -8.314 12.570 -37.519 1.00 0.00 C ATOM 1355 CG1 VAL A 94 -9.206 12.300 -38.721 1.00 0.00 C ATOM 1356 CG2 VAL A 94 -6.980 11.817 -37.692 1.00 0.00 C ATOM 0 H VAL A 94 -9.914 14.913 -38.070 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.402 14.300 -36.556 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.810 12.227 -36.611 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.401 11.230 -38.796 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.149 12.833 -38.601 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.708 12.643 -39.628 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.173 10.747 -37.765 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.484 12.159 -38.600 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.338 12.012 -36.833 1.00 0.00 H new ATOM 1366 N THR A 95 -6.082 14.925 -38.518 1.00 0.00 N ATOM 1367 CA THR A 95 -5.297 15.383 -39.698 1.00 0.00 C ATOM 1368 C THR A 95 -4.275 14.326 -40.105 1.00 0.00 C ATOM 1369 O THR A 95 -3.219 14.223 -39.521 1.00 0.00 O ATOM 1370 CB THR A 95 -4.556 16.667 -39.317 1.00 0.00 C ATOM 1371 OG1 THR A 95 -5.555 17.550 -38.849 1.00 0.00 O ATOM 1372 CG2 THR A 95 -3.984 17.357 -40.565 1.00 0.00 C ATOM 0 H THR A 95 -5.580 14.929 -37.630 1.00 0.00 H new ATOM 0 HA THR A 95 -5.974 15.557 -40.534 1.00 0.00 H new ATOM 0 HB THR A 95 -3.760 16.439 -38.608 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.143 18.399 -38.584 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.462 18.267 -40.270 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.287 16.685 -41.065 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.797 17.609 -41.246 1.00 0.00 H new ATOM 1380 N VAL A 96 -4.590 13.569 -41.117 1.00 0.00 N ATOM 1381 CA VAL A 96 -3.639 12.513 -41.537 1.00 0.00 C ATOM 1382 C VAL A 96 -2.525 13.107 -42.391 1.00 0.00 C ATOM 1383 O VAL A 96 -2.752 14.033 -43.148 1.00 0.00 O ATOM 1384 CB VAL A 96 -4.402 11.452 -42.355 1.00 0.00 C ATOM 1385 CG1 VAL A 96 -3.445 10.316 -42.712 1.00 0.00 C ATOM 1386 CG2 VAL A 96 -5.555 10.879 -41.511 1.00 0.00 C ATOM 0 H VAL A 96 -5.450 13.635 -41.661 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.194 12.059 -40.652 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.801 11.910 -43.260 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.977 9.561 -43.291 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.617 10.709 -43.302 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.057 9.866 -41.798 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.093 10.129 -42.091 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.152 10.419 -40.609 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.238 11.682 -41.235 1.00 0.00 H new ATOM 1396 N ASN A 97 -1.336 12.566 -42.238 1.00 0.00 N ATOM 1397 CA ASN A 97 -0.176 13.076 -43.023 1.00 0.00 C ATOM 1398 C ASN A 97 0.463 11.955 -43.832 1.00 0.00 C ATOM 1399 O ASN A 97 0.765 10.947 -43.214 1.00 0.00 O ATOM 1400 CB ASN A 97 0.869 13.628 -42.038 1.00 0.00 C ATOM 1401 CG ASN A 97 1.277 15.040 -42.468 1.00 0.00 C ATOM 1402 OD1 ASN A 97 1.491 15.307 -43.634 1.00 0.00 O ATOM 1403 ND2 ASN A 97 1.393 15.973 -41.561 1.00 0.00 N ATOM 1404 OXT ASN A 97 0.616 12.166 -45.023 1.00 0.00 O ATOM 0 H ASN A 97 -1.125 11.796 -41.604 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.521 13.851 -43.708 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.459 13.648 -41.028 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.743 12.976 -42.014 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.662 16.919 -41.833 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.215 15.756 -40.580 1.00 0.00 H new TER 1411 ASN A 97 HETATM 1412 CU CU A 100 -20.911 10.916 -27.086 1.00 17.74 CU