USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 83 MET CE :methyl -163:sc= -1.46 (180deg=-2.5!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.769 K(o=2,f=-3) USER MOD Set 2.2: A 60 LYS NZ :NH3+ -175:sc= 1.19 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 76:sc= 1.21 USER MOD Single : A 23 SER OG : rot -69:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 71:sc= 0.139 USER MOD Single : A 30 ASN : amide:sc= -0.0617 X(o=-0.062,f=0.38) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.247 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.67 K(o=1.7,f=-4.8!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -163:sc= 0 (180deg=-0.263) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 2.784 -0.939 -5.445 1.00 1.79 N ATOM 30 CA CYS A 16 3.165 0.479 -5.322 1.00 1.65 C ATOM 31 C CYS A 16 4.359 0.886 -6.217 1.00 1.55 C ATOM 32 O CYS A 16 5.500 1.047 -5.762 1.00 1.34 O ATOM 33 CB CYS A 16 3.350 0.801 -3.829 1.00 1.55 C ATOM 34 SG CYS A 16 1.834 1.432 -3.064 1.00 1.59 S ATOM 0 HA CYS A 16 2.360 1.101 -5.714 1.00 1.65 H new ATOM 0 HB2 CYS A 16 3.671 -0.098 -3.304 1.00 1.55 H new ATOM 0 HB3 CYS A 16 4.145 1.538 -3.715 1.00 1.55 H new ATOM 39 N LEU A 17 4.093 1.077 -7.514 1.00 1.75 N ATOM 40 CA LEU A 17 5.104 1.388 -8.540 1.00 1.77 C ATOM 41 C LEU A 17 5.786 2.753 -8.334 1.00 1.59 C ATOM 42 O LEU A 17 6.936 2.926 -8.740 1.00 1.57 O ATOM 43 CB LEU A 17 4.451 1.336 -9.942 1.00 2.08 C ATOM 44 CG LEU A 17 4.288 -0.046 -10.601 1.00 2.25 C ATOM 45 CD1 LEU A 17 5.647 -0.668 -10.924 1.00 3.20 C ATOM 46 CD2 LEU A 17 3.470 -1.030 -9.766 1.00 2.45 C ATOM 0 H LEU A 17 3.147 1.019 -7.892 1.00 1.75 H new ATOM 0 HA LEU A 17 5.886 0.634 -8.451 1.00 1.77 H new ATOM 0 HB2 LEU A 17 3.464 1.793 -9.870 1.00 2.08 H new ATOM 0 HB3 LEU A 17 5.043 1.960 -10.612 1.00 2.08 H new ATOM 0 HG LEU A 17 3.734 0.139 -11.521 1.00 2.25 H new ATOM 0 HD11 LEU A 17 5.500 -1.643 -11.388 1.00 3.20 H new ATOM 0 HD12 LEU A 17 6.191 -0.018 -11.609 1.00 3.20 H new ATOM 0 HD13 LEU A 17 6.220 -0.787 -10.005 1.00 3.20 H new ATOM 0 HD21 LEU A 17 3.397 -1.981 -10.293 1.00 2.45 H new ATOM 0 HD22 LEU A 17 3.958 -1.184 -8.804 1.00 2.45 H new ATOM 0 HD23 LEU A 17 2.470 -0.627 -9.605 1.00 2.45 H new ATOM 58 N SER A 18 5.114 3.703 -7.680 1.00 1.53 N ATOM 59 CA SER A 18 5.603 5.078 -7.492 1.00 1.46 C ATOM 60 C SER A 18 6.563 5.220 -6.307 1.00 1.18 C ATOM 61 O SER A 18 7.619 5.832 -6.455 1.00 1.18 O ATOM 62 CB SER A 18 4.417 6.014 -7.315 1.00 1.76 C ATOM 63 OG SER A 18 3.656 6.053 -8.513 1.00 2.29 O ATOM 0 H SER A 18 4.200 3.540 -7.258 1.00 1.53 H new ATOM 0 HA SER A 18 6.171 5.343 -8.384 1.00 1.46 H new ATOM 0 HB2 SER A 18 3.794 5.675 -6.488 1.00 1.76 H new ATOM 0 HB3 SER A 18 4.766 7.015 -7.062 1.00 1.76 H new ATOM 0 HG SER A 18 2.892 6.655 -8.396 1.00 2.29 H new ATOM 69 N GLU A 19 6.280 4.606 -5.157 1.00 1.11 N ATOM 70 CA GLU A 19 7.295 4.455 -4.103 1.00 1.04 C ATOM 71 C GLU A 19 8.386 3.463 -4.547 1.00 0.95 C ATOM 72 O GLU A 19 9.545 3.612 -4.157 1.00 0.98 O ATOM 73 CB GLU A 19 6.628 4.060 -2.773 1.00 1.14 C ATOM 74 CG GLU A 19 7.564 4.042 -1.549 1.00 1.56 C ATOM 75 CD GLU A 19 8.086 5.419 -1.091 1.00 1.88 C ATOM 76 OE1 GLU A 19 7.854 6.457 -1.756 1.00 2.29 O ATOM 77 OE2 GLU A 19 8.659 5.486 0.028 1.00 2.84 O ATOM 0 H GLU A 19 5.369 4.208 -4.929 1.00 1.11 H new ATOM 0 HA GLU A 19 7.792 5.411 -3.934 1.00 1.04 H new ATOM 0 HB2 GLU A 19 5.811 4.753 -2.575 1.00 1.14 H new ATOM 0 HB3 GLU A 19 6.186 3.070 -2.887 1.00 1.14 H new ATOM 0 HG2 GLU A 19 7.035 3.578 -0.716 1.00 1.56 H new ATOM 0 HG3 GLU A 19 8.420 3.406 -1.777 1.00 1.56 H new ATOM 84 N SER A 20 8.068 2.525 -5.456 1.00 1.02 N ATOM 85 CA SER A 20 9.128 1.732 -6.108 1.00 1.25 C ATOM 86 C SER A 20 10.058 2.603 -6.965 1.00 1.44 C ATOM 87 O SER A 20 11.272 2.418 -6.886 1.00 1.61 O ATOM 88 CB SER A 20 8.592 0.560 -6.932 1.00 1.51 C ATOM 89 OG SER A 20 7.835 -0.303 -6.110 1.00 1.54 O ATOM 0 H SER A 20 7.117 2.301 -5.750 1.00 1.02 H new ATOM 0 HA SER A 20 9.708 1.308 -5.288 1.00 1.25 H new ATOM 0 HB2 SER A 20 7.974 0.932 -7.749 1.00 1.51 H new ATOM 0 HB3 SER A 20 9.420 0.013 -7.382 1.00 1.51 H new ATOM 0 HG SER A 20 6.963 0.104 -5.925 1.00 1.54 H new ATOM 95 N ASP A 21 9.542 3.608 -7.688 1.00 1.49 N ATOM 96 CA ASP A 21 10.373 4.586 -8.412 1.00 1.72 C ATOM 97 C ASP A 21 11.292 5.350 -7.451 1.00 1.66 C ATOM 98 O ASP A 21 12.487 5.440 -7.713 1.00 1.83 O ATOM 99 CB ASP A 21 9.500 5.545 -9.245 1.00 1.89 C ATOM 100 CG ASP A 21 10.326 6.559 -10.047 1.00 2.42 C ATOM 101 OD1 ASP A 21 10.704 6.261 -11.204 1.00 2.39 O ATOM 102 OD2 ASP A 21 10.600 7.677 -9.546 1.00 3.57 O ATOM 0 H ASP A 21 8.539 3.767 -7.788 1.00 1.49 H new ATOM 0 HA ASP A 21 11.011 4.038 -9.105 1.00 1.72 H new ATOM 0 HB2 ASP A 21 8.883 4.964 -9.930 1.00 1.89 H new ATOM 0 HB3 ASP A 21 8.822 6.081 -8.581 1.00 1.89 H new ATOM 107 N ALA A 22 10.792 5.801 -6.295 1.00 1.48 N ATOM 108 CA ALA A 22 11.614 6.462 -5.273 1.00 1.51 C ATOM 109 C ALA A 22 12.704 5.534 -4.683 1.00 1.40 C ATOM 110 O ALA A 22 13.828 5.980 -4.415 1.00 1.64 O ATOM 111 CB ALA A 22 10.677 7.020 -4.196 1.00 1.43 C ATOM 0 H ALA A 22 9.808 5.719 -6.041 1.00 1.48 H new ATOM 0 HA ALA A 22 12.170 7.278 -5.735 1.00 1.51 H new ATOM 0 HB1 ALA A 22 11.265 7.517 -3.424 1.00 1.43 H new ATOM 0 HB2 ALA A 22 9.991 7.737 -4.647 1.00 1.43 H new ATOM 0 HB3 ALA A 22 10.108 6.204 -3.750 1.00 1.43 H new ATOM 117 N SER A 23 12.418 4.230 -4.559 1.00 1.12 N ATOM 118 CA SER A 23 13.434 3.210 -4.251 1.00 1.09 C ATOM 119 C SER A 23 14.491 3.092 -5.357 1.00 1.42 C ATOM 120 O SER A 23 15.677 2.977 -5.058 1.00 1.45 O ATOM 121 CB SER A 23 12.795 1.846 -3.947 1.00 0.94 C ATOM 122 OG SER A 23 12.591 1.031 -5.092 1.00 1.62 O ATOM 0 H SER A 23 11.477 3.852 -4.669 1.00 1.12 H new ATOM 0 HA SER A 23 13.947 3.545 -3.350 1.00 1.09 H new ATOM 0 HB2 SER A 23 13.429 1.309 -3.241 1.00 0.94 H new ATOM 0 HB3 SER A 23 11.836 2.008 -3.455 1.00 0.94 H new ATOM 0 HG SER A 23 11.884 1.419 -5.648 1.00 1.62 H new ATOM 128 N THR A 24 14.099 3.205 -6.631 1.00 1.75 N ATOM 129 CA THR A 24 15.041 3.255 -7.761 1.00 2.21 C ATOM 130 C THR A 24 15.888 4.525 -7.730 1.00 2.44 C ATOM 131 O THR A 24 17.090 4.438 -7.965 1.00 2.67 O ATOM 132 CB THR A 24 14.318 3.131 -9.108 1.00 2.45 C ATOM 133 OG1 THR A 24 13.493 1.990 -9.091 1.00 2.37 O ATOM 134 CG2 THR A 24 15.288 2.972 -10.276 1.00 2.87 C ATOM 0 H THR A 24 13.120 3.265 -6.911 1.00 1.75 H new ATOM 0 HA THR A 24 15.706 2.398 -7.653 1.00 2.21 H new ATOM 0 HB THR A 24 13.745 4.048 -9.246 1.00 2.45 H new ATOM 0 HG1 THR A 24 12.732 2.145 -8.493 1.00 2.37 H new ATOM 0 HG21 THR A 24 14.726 2.888 -11.206 1.00 2.87 H new ATOM 0 HG22 THR A 24 15.944 3.841 -10.325 1.00 2.87 H new ATOM 0 HG23 THR A 24 15.887 2.073 -10.132 1.00 2.87 H new ATOM 142 N ARG A 25 15.324 5.683 -7.344 1.00 2.43 N ATOM 143 CA ARG A 25 16.098 6.919 -7.109 1.00 2.72 C ATOM 144 C ARG A 25 17.170 6.692 -6.037 1.00 2.51 C ATOM 145 O ARG A 25 18.327 7.032 -6.286 1.00 2.67 O ATOM 146 CB ARG A 25 15.203 8.117 -6.720 1.00 2.96 C ATOM 147 CG ARG A 25 14.023 8.452 -7.642 1.00 3.26 C ATOM 148 CD ARG A 25 14.414 8.813 -9.071 1.00 3.31 C ATOM 149 NE ARG A 25 13.270 8.647 -9.979 1.00 2.97 N ATOM 150 CZ ARG A 25 13.245 8.945 -11.259 1.00 3.55 C ATOM 151 NH1 ARG A 25 14.171 9.650 -11.842 1.00 4.73 N ATOM 152 NH2 ARG A 25 12.266 8.517 -11.994 1.00 4.07 N ATOM 0 H ARG A 25 14.322 5.790 -7.186 1.00 2.43 H new ATOM 0 HA ARG A 25 16.580 7.169 -8.054 1.00 2.72 H new ATOM 0 HB2 ARG A 25 14.807 7.930 -5.722 1.00 2.96 H new ATOM 0 HB3 ARG A 25 15.837 9.001 -6.651 1.00 2.96 H new ATOM 0 HG2 ARG A 25 13.347 7.597 -7.670 1.00 3.26 H new ATOM 0 HG3 ARG A 25 13.467 9.284 -7.210 1.00 3.26 H new ATOM 0 HD2 ARG A 25 14.767 9.843 -9.108 1.00 3.31 H new ATOM 0 HD3 ARG A 25 15.240 8.181 -9.398 1.00 3.31 H new ATOM 0 HE ARG A 25 12.414 8.264 -9.578 1.00 2.97 H new ATOM 0 HH11 ARG A 25 14.963 9.999 -11.302 1.00 4.73 H new ATOM 0 HH12 ARG A 25 14.105 9.854 -12.839 1.00 4.73 H new ATOM 0 HH21 ARG A 25 11.524 7.954 -11.578 1.00 4.07 H new ATOM 0 HH22 ARG A 25 12.238 8.743 -12.988 1.00 4.07 H new ATOM 166 N CYS A 26 16.808 6.051 -4.914 1.00 2.15 N ATOM 167 CA CYS A 26 17.755 5.632 -3.868 1.00 1.98 C ATOM 168 C CYS A 26 18.859 4.722 -4.422 1.00 1.93 C ATOM 169 O CYS A 26 20.045 4.974 -4.227 1.00 2.08 O ATOM 170 CB CYS A 26 17.018 4.940 -2.699 1.00 1.62 C ATOM 171 SG CYS A 26 18.109 3.949 -1.621 1.00 1.40 S ATOM 0 H CYS A 26 15.840 5.807 -4.705 1.00 2.15 H new ATOM 0 HA CYS A 26 18.234 6.536 -3.491 1.00 1.98 H new ATOM 0 HB2 CYS A 26 16.520 5.699 -2.096 1.00 1.62 H new ATOM 0 HB3 CYS A 26 16.240 4.294 -3.105 1.00 1.62 H new ATOM 176 N LEU A 27 18.490 3.653 -5.119 1.00 1.80 N ATOM 177 CA LEU A 27 19.437 2.659 -5.625 1.00 1.87 C ATOM 178 C LEU A 27 20.409 3.256 -6.647 1.00 2.34 C ATOM 179 O LEU A 27 21.619 3.091 -6.513 1.00 2.66 O ATOM 180 CB LEU A 27 18.623 1.484 -6.180 1.00 1.79 C ATOM 181 CG LEU A 27 18.382 0.385 -5.135 1.00 1.42 C ATOM 182 CD1 LEU A 27 18.070 0.786 -3.691 1.00 1.06 C ATOM 183 CD2 LEU A 27 17.238 -0.514 -5.601 1.00 1.52 C ATOM 0 H LEU A 27 17.518 3.448 -5.352 1.00 1.80 H new ATOM 0 HA LEU A 27 20.078 2.302 -4.819 1.00 1.87 H new ATOM 0 HB2 LEU A 27 17.663 1.851 -6.543 1.00 1.79 H new ATOM 0 HB3 LEU A 27 19.146 1.057 -7.036 1.00 1.79 H new ATOM 0 HG LEU A 27 19.360 -0.093 -5.083 1.00 1.42 H new ATOM 0 HD11 LEU A 27 17.928 -0.110 -3.087 1.00 1.06 H new ATOM 0 HD12 LEU A 27 18.899 1.368 -3.288 1.00 1.06 H new ATOM 0 HD13 LEU A 27 17.161 1.387 -3.669 1.00 1.06 H new ATOM 0 HD21 LEU A 27 17.065 -1.295 -4.861 1.00 1.52 H new ATOM 0 HD22 LEU A 27 16.333 0.081 -5.719 1.00 1.52 H new ATOM 0 HD23 LEU A 27 17.500 -0.970 -6.556 1.00 1.52 H new ATOM 195 N ASP A 28 19.884 4.012 -7.602 1.00 2.41 N ATOM 196 CA ASP A 28 20.661 4.781 -8.578 1.00 2.72 C ATOM 197 C ASP A 28 21.540 5.876 -7.921 1.00 2.83 C ATOM 198 O ASP A 28 22.619 6.164 -8.439 1.00 3.07 O ATOM 199 CB ASP A 28 19.687 5.339 -9.630 1.00 2.82 C ATOM 200 CG ASP A 28 20.375 6.102 -10.763 1.00 3.26 C ATOM 201 OD1 ASP A 28 20.863 5.489 -11.747 1.00 3.07 O ATOM 202 OD2 ASP A 28 20.410 7.351 -10.673 1.00 4.44 O ATOM 0 H ASP A 28 18.877 4.113 -7.727 1.00 2.41 H new ATOM 0 HA ASP A 28 21.380 4.124 -9.068 1.00 2.72 H new ATOM 0 HB2 ASP A 28 19.114 4.515 -10.055 1.00 2.82 H new ATOM 0 HB3 ASP A 28 18.975 6.002 -9.138 1.00 2.82 H new ATOM 207 N GLU A 29 21.153 6.449 -6.773 1.00 2.69 N ATOM 208 CA GLU A 29 22.003 7.325 -5.941 1.00 2.81 C ATOM 209 C GLU A 29 23.221 6.610 -5.335 1.00 2.69 C ATOM 210 O GLU A 29 24.364 7.034 -5.538 1.00 2.76 O ATOM 211 CB GLU A 29 21.165 7.913 -4.782 1.00 2.76 C ATOM 212 CG GLU A 29 20.789 9.379 -4.961 1.00 3.11 C ATOM 213 CD GLU A 29 21.969 10.341 -4.778 1.00 3.24 C ATOM 214 OE1 GLU A 29 22.732 10.559 -5.753 1.00 3.10 O ATOM 215 OE2 GLU A 29 22.087 10.953 -3.689 1.00 4.35 O ATOM 0 H GLU A 29 20.219 6.316 -6.384 1.00 2.69 H new ATOM 0 HA GLU A 29 22.376 8.103 -6.607 1.00 2.81 H new ATOM 0 HB2 GLU A 29 20.253 7.326 -4.675 1.00 2.76 H new ATOM 0 HB3 GLU A 29 21.725 7.804 -3.853 1.00 2.76 H new ATOM 0 HG2 GLU A 29 20.368 9.519 -5.957 1.00 3.11 H new ATOM 0 HG3 GLU A 29 20.008 9.635 -4.246 1.00 3.11 H new ATOM 222 N ASN A 30 22.977 5.550 -4.558 1.00 2.52 N ATOM 223 CA ASN A 30 23.941 4.903 -3.669 1.00 2.44 C ATOM 224 C ASN A 30 24.313 3.486 -4.155 1.00 2.29 C ATOM 225 O ASN A 30 24.251 2.514 -3.396 1.00 2.31 O ATOM 226 CB ASN A 30 23.460 5.017 -2.203 1.00 2.27 C ATOM 227 CG ASN A 30 22.012 4.628 -1.975 1.00 1.97 C ATOM 228 OD1 ASN A 30 21.204 5.395 -1.462 1.00 2.06 O ATOM 229 ND2 ASN A 30 21.636 3.442 -2.392 1.00 1.68 N ATOM 0 H ASN A 30 22.061 5.102 -4.532 1.00 2.52 H new ATOM 0 HA ASN A 30 24.895 5.429 -3.701 1.00 2.44 H new ATOM 0 HB2 ASN A 30 24.093 4.387 -1.578 1.00 2.27 H new ATOM 0 HB3 ASN A 30 23.602 6.044 -1.868 1.00 2.27 H new ATOM 0 HD21 ASN A 30 20.664 3.150 -2.291 1.00 1.68 H new ATOM 0 HD22 ASN A 30 22.316 2.812 -2.817 1.00 1.68 H new ATOM 236 N ASN A 31 24.703 3.378 -5.430 1.00 2.38 N ATOM 237 CA ASN A 31 25.408 2.226 -6.019 1.00 2.49 C ATOM 238 C ASN A 31 24.652 0.878 -5.903 1.00 2.25 C ATOM 239 O ASN A 31 25.255 -0.178 -5.686 1.00 2.25 O ATOM 240 CB ASN A 31 26.858 2.195 -5.485 1.00 2.62 C ATOM 241 CG ASN A 31 27.556 3.545 -5.538 1.00 4.40 C ATOM 242 OD1 ASN A 31 27.526 4.321 -4.589 1.00 6.12 O ATOM 243 ND2 ASN A 31 28.168 3.885 -6.645 1.00 4.77 N ATOM 0 H ASN A 31 24.531 4.119 -6.110 1.00 2.38 H new ATOM 0 HA ASN A 31 25.445 2.368 -7.099 1.00 2.49 H new ATOM 0 HB2 ASN A 31 26.849 1.840 -4.454 1.00 2.62 H new ATOM 0 HB3 ASN A 31 27.434 1.474 -6.065 1.00 2.62 H new ATOM 0 HD21 ASN A 31 28.620 4.796 -6.718 1.00 4.77 H new ATOM 0 HD22 ASN A 31 28.192 3.239 -7.434 1.00 4.77 H new ATOM 250 N TYR A 32 23.325 0.928 -6.037 1.00 2.22 N ATOM 251 CA TYR A 32 22.354 -0.168 -5.924 1.00 2.08 C ATOM 252 C TYR A 32 22.398 -0.913 -4.570 1.00 1.74 C ATOM 253 O TYR A 32 23.043 -1.955 -4.426 1.00 2.46 O ATOM 254 CB TYR A 32 22.412 -1.069 -7.172 1.00 2.55 C ATOM 255 CG TYR A 32 21.053 -1.547 -7.660 1.00 2.73 C ATOM 256 CD1 TYR A 32 20.212 -2.302 -6.820 1.00 2.35 C ATOM 257 CD2 TYR A 32 20.617 -1.217 -8.959 1.00 4.20 C ATOM 258 CE1 TYR A 32 18.960 -2.747 -7.285 1.00 2.54 C ATOM 259 CE2 TYR A 32 19.369 -1.670 -9.431 1.00 4.47 C ATOM 260 CZ TYR A 32 18.535 -2.438 -8.593 1.00 3.29 C ATOM 261 OH TYR A 32 17.315 -2.858 -9.025 1.00 3.63 O ATOM 0 H TYR A 32 22.860 1.812 -6.245 1.00 2.22 H new ATOM 0 HA TYR A 32 21.357 0.272 -5.908 1.00 2.08 H new ATOM 0 HB2 TYR A 32 22.903 -0.523 -7.978 1.00 2.55 H new ATOM 0 HB3 TYR A 32 23.032 -1.938 -6.951 1.00 2.55 H new ATOM 0 HD1 TYR A 32 20.529 -2.541 -5.815 1.00 2.35 H new ATOM 0 HD2 TYR A 32 21.244 -0.612 -9.597 1.00 4.20 H new ATOM 0 HE1 TYR A 32 18.322 -3.328 -6.636 1.00 2.54 H new ATOM 0 HE2 TYR A 32 19.051 -1.429 -10.435 1.00 4.47 H new ATOM 0 HH TYR A 32 17.175 -2.561 -9.948 1.00 3.63 H new ATOM 271 N ASP A 33 21.681 -0.372 -3.572 1.00 1.00 N ATOM 272 CA ASP A 33 21.687 -0.820 -2.166 1.00 0.92 C ATOM 273 C ASP A 33 20.286 -1.234 -1.656 1.00 0.88 C ATOM 274 O ASP A 33 19.680 -0.595 -0.787 1.00 0.91 O ATOM 275 CB ASP A 33 22.357 0.253 -1.286 1.00 1.02 C ATOM 276 CG ASP A 33 23.094 -0.328 -0.074 1.00 1.29 C ATOM 277 OD1 ASP A 33 22.599 -1.296 0.555 1.00 2.04 O ATOM 278 OD2 ASP A 33 24.207 0.179 0.215 1.00 1.99 O ATOM 0 H ASP A 33 21.057 0.420 -3.726 1.00 1.00 H new ATOM 0 HA ASP A 33 22.279 -1.733 -2.101 1.00 0.92 H new ATOM 0 HB2 ASP A 33 23.062 0.822 -1.892 1.00 1.02 H new ATOM 0 HB3 ASP A 33 21.598 0.954 -0.939 1.00 1.02 H new ATOM 283 N ARG A 34 19.746 -2.327 -2.211 1.00 1.02 N ATOM 284 CA ARG A 34 18.452 -2.917 -1.831 1.00 1.11 C ATOM 285 C ARG A 34 18.422 -3.419 -0.375 1.00 1.37 C ATOM 286 O ARG A 34 17.338 -3.601 0.180 1.00 1.37 O ATOM 287 CB ARG A 34 18.147 -4.001 -2.885 1.00 1.42 C ATOM 288 CG ARG A 34 16.965 -4.930 -2.609 1.00 2.27 C ATOM 289 CD ARG A 34 15.615 -4.220 -2.426 1.00 3.62 C ATOM 290 NE ARG A 34 14.558 -5.169 -2.033 1.00 4.64 N ATOM 291 CZ ARG A 34 14.429 -5.774 -0.864 1.00 5.23 C ATOM 292 NH1 ARG A 34 15.192 -5.521 0.160 1.00 5.40 N ATOM 293 NH2 ARG A 34 13.519 -6.675 -0.677 1.00 6.46 N ATOM 0 H ARG A 34 20.210 -2.842 -2.959 1.00 1.02 H new ATOM 0 HA ARG A 34 17.661 -2.167 -1.835 1.00 1.11 H new ATOM 0 HB2 ARG A 34 17.971 -3.504 -3.839 1.00 1.42 H new ATOM 0 HB3 ARG A 34 19.039 -4.616 -3.005 1.00 1.42 H new ATOM 0 HG2 ARG A 34 16.878 -5.638 -3.433 1.00 2.27 H new ATOM 0 HG3 ARG A 34 17.179 -5.510 -1.711 1.00 2.27 H new ATOM 0 HD2 ARG A 34 15.710 -3.444 -1.667 1.00 3.62 H new ATOM 0 HD3 ARG A 34 15.334 -3.724 -3.355 1.00 3.62 H new ATOM 0 HE ARG A 34 13.851 -5.382 -2.737 1.00 4.64 H new ATOM 0 HH11 ARG A 34 15.934 -4.826 0.083 1.00 5.40 H new ATOM 0 HH12 ARG A 34 15.048 -6.018 1.039 1.00 5.40 H new ATOM 0 HH21 ARG A 34 12.888 -6.928 -1.437 1.00 6.46 H new ATOM 0 HH22 ARG A 34 13.433 -7.132 0.231 1.00 6.46 H new ATOM 307 N GLU A 35 19.577 -3.571 0.276 1.00 1.63 N ATOM 308 CA GLU A 35 19.654 -3.843 1.720 1.00 1.94 C ATOM 309 C GLU A 35 19.392 -2.591 2.577 1.00 1.93 C ATOM 310 O GLU A 35 18.717 -2.709 3.603 1.00 2.27 O ATOM 311 CB GLU A 35 21.001 -4.476 2.102 1.00 2.11 C ATOM 312 CG GLU A 35 21.140 -5.921 1.608 1.00 2.28 C ATOM 313 CD GLU A 35 22.472 -6.550 2.037 1.00 2.74 C ATOM 314 OE1 GLU A 35 22.793 -6.576 3.255 1.00 2.74 O ATOM 315 OE2 GLU A 35 23.211 -7.072 1.173 1.00 3.83 O ATOM 0 H GLU A 35 20.488 -3.510 -0.180 1.00 1.63 H new ATOM 0 HA GLU A 35 18.858 -4.556 1.934 1.00 1.94 H new ATOM 0 HB2 GLU A 35 21.810 -3.875 1.687 1.00 2.11 H new ATOM 0 HB3 GLU A 35 21.113 -4.455 3.186 1.00 2.11 H new ATOM 0 HG2 GLU A 35 20.315 -6.518 1.997 1.00 2.28 H new ATOM 0 HG3 GLU A 35 21.063 -5.941 0.521 1.00 2.28 H new ATOM 322 N ARG A 36 19.850 -1.396 2.162 1.00 1.68 N ATOM 323 CA ARG A 36 19.530 -0.110 2.824 1.00 1.80 C ATOM 324 C ARG A 36 18.119 0.391 2.520 1.00 1.74 C ATOM 325 O ARG A 36 17.455 0.896 3.423 1.00 2.13 O ATOM 326 CB ARG A 36 20.543 0.981 2.451 1.00 1.69 C ATOM 327 CG ARG A 36 21.839 0.858 3.258 1.00 1.93 C ATOM 328 CD ARG A 36 22.678 2.117 3.058 1.00 1.86 C ATOM 329 NE ARG A 36 23.952 2.053 3.798 1.00 2.14 N ATOM 330 CZ ARG A 36 24.537 3.037 4.460 1.00 2.75 C ATOM 331 NH1 ARG A 36 23.964 4.179 4.696 1.00 4.00 N ATOM 332 NH2 ARG A 36 25.733 2.863 4.925 1.00 3.11 N ATOM 0 H ARG A 36 20.459 -1.291 1.350 1.00 1.68 H new ATOM 0 HA ARG A 36 19.587 -0.315 3.893 1.00 1.80 H new ATOM 0 HB2 ARG A 36 20.771 0.916 1.387 1.00 1.69 H new ATOM 0 HB3 ARG A 36 20.100 1.962 2.623 1.00 1.69 H new ATOM 0 HG2 ARG A 36 21.611 0.723 4.315 1.00 1.93 H new ATOM 0 HG3 ARG A 36 22.399 -0.021 2.938 1.00 1.93 H new ATOM 0 HD2 ARG A 36 22.882 2.252 1.996 1.00 1.86 H new ATOM 0 HD3 ARG A 36 22.110 2.987 3.387 1.00 1.86 H new ATOM 0 HE ARG A 36 24.433 1.154 3.799 1.00 2.14 H new ATOM 0 HH11 ARG A 36 23.015 4.351 4.365 1.00 4.00 H new ATOM 0 HH12 ARG A 36 24.463 4.903 5.212 1.00 4.00 H new ATOM 0 HH21 ARG A 36 26.213 1.975 4.779 1.00 3.11 H new ATOM 0 HH22 ARG A 36 26.195 3.614 5.437 1.00 3.11 H new ATOM 346 N CYS A 37 17.646 0.243 1.282 1.00 1.31 N ATOM 347 CA CYS A 37 16.322 0.727 0.856 1.00 1.11 C ATOM 348 C CYS A 37 15.212 -0.352 0.897 1.00 1.06 C ATOM 349 O CYS A 37 14.185 -0.234 0.224 1.00 0.87 O ATOM 350 CB CYS A 37 16.465 1.557 -0.435 1.00 0.84 C ATOM 351 SG CYS A 37 16.997 3.260 -0.055 1.00 1.31 S ATOM 0 H CYS A 37 18.170 -0.218 0.538 1.00 1.31 H new ATOM 0 HA CYS A 37 15.930 1.421 1.600 1.00 1.11 H new ATOM 0 HB2 CYS A 37 17.190 1.084 -1.098 1.00 0.84 H new ATOM 0 HB3 CYS A 37 15.513 1.578 -0.966 1.00 0.84 H new ATOM 356 N SER A 38 15.361 -1.369 1.759 1.00 1.32 N ATOM 357 CA SER A 38 14.300 -2.335 2.113 1.00 1.42 C ATOM 358 C SER A 38 13.076 -1.692 2.794 1.00 1.45 C ATOM 359 O SER A 38 11.994 -2.276 2.813 1.00 1.45 O ATOM 360 CB SER A 38 14.867 -3.425 3.031 1.00 1.75 C ATOM 361 OG SER A 38 15.266 -2.872 4.272 1.00 1.73 O ATOM 0 H SER A 38 16.241 -1.550 2.242 1.00 1.32 H new ATOM 0 HA SER A 38 13.955 -2.759 1.170 1.00 1.42 H new ATOM 0 HB2 SER A 38 14.115 -4.197 3.195 1.00 1.75 H new ATOM 0 HB3 SER A 38 15.719 -3.906 2.550 1.00 1.75 H new ATOM 0 HG SER A 38 15.624 -3.581 4.846 1.00 1.73 H new ATOM 367 N THR A 39 13.219 -0.466 3.304 1.00 1.49 N ATOM 368 CA THR A 39 12.143 0.391 3.837 1.00 1.51 C ATOM 369 C THR A 39 11.048 0.670 2.800 1.00 1.28 C ATOM 370 O THR A 39 9.855 0.588 3.088 1.00 1.29 O ATOM 371 CB THR A 39 12.754 1.727 4.291 1.00 1.66 C ATOM 372 OG1 THR A 39 13.509 2.287 3.238 1.00 2.19 O ATOM 373 CG2 THR A 39 13.723 1.540 5.452 1.00 2.62 C ATOM 0 H THR A 39 14.133 -0.016 3.362 1.00 1.49 H new ATOM 0 HA THR A 39 11.679 -0.137 4.671 1.00 1.51 H new ATOM 0 HB THR A 39 11.923 2.366 4.591 1.00 1.66 H new ATOM 0 HG1 THR A 39 12.911 2.760 2.623 1.00 2.19 H new ATOM 0 HG21 THR A 39 14.133 2.507 5.743 1.00 2.62 H new ATOM 0 HG22 THR A 39 13.196 1.100 6.298 1.00 2.62 H new ATOM 0 HG23 THR A 39 14.534 0.879 5.146 1.00 2.62 H new ATOM 381 N TYR A 40 11.452 0.904 1.552 1.00 1.11 N ATOM 382 CA TYR A 40 10.549 1.094 0.412 1.00 0.94 C ATOM 383 C TYR A 40 9.802 -0.203 0.058 1.00 0.94 C ATOM 384 O TYR A 40 8.597 -0.177 -0.190 1.00 0.99 O ATOM 385 CB TYR A 40 11.340 1.613 -0.796 1.00 0.74 C ATOM 386 CG TYR A 40 11.977 2.982 -0.619 1.00 0.86 C ATOM 387 CD1 TYR A 40 13.134 3.144 0.168 1.00 2.23 C ATOM 388 CD2 TYR A 40 11.414 4.108 -1.249 1.00 1.59 C ATOM 389 CE1 TYR A 40 13.691 4.422 0.365 1.00 2.45 C ATOM 390 CE2 TYR A 40 11.975 5.385 -1.067 1.00 1.66 C ATOM 391 CZ TYR A 40 13.111 5.550 -0.248 1.00 1.43 C ATOM 392 OH TYR A 40 13.635 6.783 -0.024 1.00 1.82 O ATOM 0 H TYR A 40 12.438 0.969 1.297 1.00 1.11 H new ATOM 0 HA TYR A 40 9.798 1.833 0.692 1.00 0.94 H new ATOM 0 HB2 TYR A 40 12.124 0.894 -1.031 1.00 0.74 H new ATOM 0 HB3 TYR A 40 10.673 1.650 -1.657 1.00 0.74 H new ATOM 0 HD1 TYR A 40 13.597 2.281 0.624 1.00 2.23 H new ATOM 0 HD2 TYR A 40 10.544 3.990 -1.878 1.00 1.59 H new ATOM 0 HE1 TYR A 40 14.566 4.538 0.988 1.00 2.45 H new ATOM 0 HE2 TYR A 40 11.535 6.241 -1.556 1.00 1.66 H new ATOM 0 HH TYR A 40 13.120 7.453 -0.521 1.00 1.82 H new ATOM 402 N PHE A 41 10.486 -1.350 0.114 1.00 0.95 N ATOM 403 CA PHE A 41 9.872 -2.675 -0.048 1.00 1.02 C ATOM 404 C PHE A 41 8.865 -2.983 1.078 1.00 1.15 C ATOM 405 O PHE A 41 7.798 -3.538 0.820 1.00 1.23 O ATOM 406 CB PHE A 41 10.992 -3.720 -0.142 1.00 1.03 C ATOM 407 CG PHE A 41 10.533 -5.165 -0.171 1.00 1.99 C ATOM 408 CD1 PHE A 41 9.836 -5.666 -1.286 1.00 3.25 C ATOM 409 CD2 PHE A 41 10.843 -6.022 0.904 1.00 3.01 C ATOM 410 CE1 PHE A 41 9.474 -7.025 -1.338 1.00 4.37 C ATOM 411 CE2 PHE A 41 10.491 -7.382 0.846 1.00 4.25 C ATOM 412 CZ PHE A 41 9.816 -7.886 -0.280 1.00 4.64 C ATOM 0 H PHE A 41 11.493 -1.387 0.275 1.00 0.95 H new ATOM 0 HA PHE A 41 9.288 -2.700 -0.968 1.00 1.02 H new ATOM 0 HB2 PHE A 41 11.574 -3.523 -1.042 1.00 1.03 H new ATOM 0 HB3 PHE A 41 11.662 -3.586 0.707 1.00 1.03 H new ATOM 0 HD1 PHE A 41 9.579 -5.007 -2.102 1.00 3.25 H new ATOM 0 HD2 PHE A 41 11.352 -5.633 1.774 1.00 3.01 H new ATOM 0 HE1 PHE A 41 8.933 -7.407 -2.191 1.00 4.37 H new ATOM 0 HE2 PHE A 41 10.739 -8.040 1.666 1.00 4.25 H new ATOM 0 HZ PHE A 41 9.560 -8.934 -0.332 1.00 4.64 H new ATOM 422 N LEU A 42 9.132 -2.522 2.306 1.00 1.22 N ATOM 423 CA LEU A 42 8.160 -2.537 3.403 1.00 1.37 C ATOM 424 C LEU A 42 6.925 -1.684 3.082 1.00 1.38 C ATOM 425 O LEU A 42 5.810 -2.196 3.165 1.00 1.49 O ATOM 426 CB LEU A 42 8.881 -2.171 4.723 1.00 1.48 C ATOM 427 CG LEU A 42 8.025 -1.543 5.842 1.00 1.52 C ATOM 428 CD1 LEU A 42 6.966 -2.498 6.385 1.00 1.63 C ATOM 429 CD2 LEU A 42 8.923 -1.124 7.008 1.00 1.62 C ATOM 0 H LEU A 42 10.035 -2.126 2.567 1.00 1.22 H new ATOM 0 HA LEU A 42 7.755 -3.540 3.534 1.00 1.37 H new ATOM 0 HB2 LEU A 42 9.343 -3.076 5.118 1.00 1.48 H new ATOM 0 HB3 LEU A 42 9.689 -1.478 4.486 1.00 1.48 H new ATOM 0 HG LEU A 42 7.519 -0.685 5.399 1.00 1.52 H new ATOM 0 HD11 LEU A 42 6.395 -2.001 7.169 1.00 1.63 H new ATOM 0 HD12 LEU A 42 6.294 -2.793 5.579 1.00 1.63 H new ATOM 0 HD13 LEU A 42 7.451 -3.384 6.795 1.00 1.63 H new ATOM 0 HD21 LEU A 42 8.314 -0.681 7.796 1.00 1.62 H new ATOM 0 HD22 LEU A 42 9.443 -1.999 7.400 1.00 1.62 H new ATOM 0 HD23 LEU A 42 9.654 -0.394 6.660 1.00 1.62 H new ATOM 441 N ARG A 43 7.082 -0.440 2.616 1.00 1.32 N ATOM 442 CA ARG A 43 5.923 0.365 2.179 1.00 1.40 C ATOM 443 C ARG A 43 5.172 -0.268 1.009 1.00 1.44 C ATOM 444 O ARG A 43 3.952 -0.160 0.949 1.00 1.56 O ATOM 445 CB ARG A 43 6.333 1.812 1.882 1.00 1.37 C ATOM 446 CG ARG A 43 6.751 2.494 3.189 1.00 1.46 C ATOM 447 CD ARG A 43 7.012 3.995 3.005 1.00 1.51 C ATOM 448 NE ARG A 43 5.748 4.747 2.911 1.00 2.61 N ATOM 449 CZ ARG A 43 5.421 5.725 2.091 1.00 3.58 C ATOM 450 NH1 ARG A 43 6.195 6.198 1.163 1.00 3.84 N ATOM 451 NH2 ARG A 43 4.247 6.247 2.201 1.00 4.91 N ATOM 0 H ARG A 43 7.983 0.030 2.530 1.00 1.32 H new ATOM 0 HA ARG A 43 5.220 0.384 3.012 1.00 1.40 H new ATOM 0 HB2 ARG A 43 7.157 1.830 1.168 1.00 1.37 H new ATOM 0 HB3 ARG A 43 5.503 2.352 1.425 1.00 1.37 H new ATOM 0 HG2 ARG A 43 5.970 2.352 3.936 1.00 1.46 H new ATOM 0 HG3 ARG A 43 7.651 2.015 3.574 1.00 1.46 H new ATOM 0 HD2 ARG A 43 7.600 4.370 3.843 1.00 1.51 H new ATOM 0 HD3 ARG A 43 7.602 4.156 2.103 1.00 1.51 H new ATOM 0 HE ARG A 43 5.024 4.471 3.575 1.00 2.61 H new ATOM 0 HH11 ARG A 43 7.129 5.809 1.031 1.00 3.84 H new ATOM 0 HH12 ARG A 43 5.870 6.958 0.566 1.00 3.84 H new ATOM 0 HH21 ARG A 43 3.599 5.901 2.909 1.00 4.91 H new ATOM 0 HH22 ARG A 43 3.966 7.006 1.580 1.00 4.91 H new ATOM 465 N TYR A 44 5.861 -1.016 0.152 1.00 1.36 N ATOM 466 CA TYR A 44 5.234 -1.755 -0.951 1.00 1.42 C ATOM 467 C TYR A 44 4.388 -2.930 -0.429 1.00 1.55 C ATOM 468 O TYR A 44 3.250 -3.103 -0.866 1.00 1.69 O ATOM 469 CB TYR A 44 6.319 -2.171 -1.953 1.00 1.33 C ATOM 470 CG TYR A 44 5.847 -2.889 -3.202 1.00 1.43 C ATOM 471 CD1 TYR A 44 5.582 -4.269 -3.162 1.00 2.06 C ATOM 472 CD2 TYR A 44 5.773 -2.197 -4.424 1.00 2.43 C ATOM 473 CE1 TYR A 44 5.260 -4.957 -4.346 1.00 2.05 C ATOM 474 CE2 TYR A 44 5.470 -2.886 -5.618 1.00 2.70 C ATOM 475 CZ TYR A 44 5.221 -4.276 -5.580 1.00 1.84 C ATOM 476 OH TYR A 44 4.968 -4.973 -6.721 1.00 2.10 O ATOM 0 H TYR A 44 6.873 -1.130 0.199 1.00 1.36 H new ATOM 0 HA TYR A 44 4.528 -1.114 -1.479 1.00 1.42 H new ATOM 0 HB2 TYR A 44 6.862 -1.277 -2.258 1.00 1.33 H new ATOM 0 HB3 TYR A 44 7.031 -2.816 -1.437 1.00 1.33 H new ATOM 0 HD1 TYR A 44 5.626 -4.801 -2.223 1.00 2.06 H new ATOM 0 HD2 TYR A 44 5.949 -1.132 -4.449 1.00 2.43 H new ATOM 0 HE1 TYR A 44 5.041 -6.014 -4.310 1.00 2.05 H new ATOM 0 HE2 TYR A 44 5.429 -2.353 -6.556 1.00 2.70 H new ATOM 0 HH TYR A 44 4.974 -4.361 -7.486 1.00 2.10 H new ATOM 486 N LYS A 45 4.872 -3.666 0.585 1.00 1.52 N ATOM 487 CA LYS A 45 4.055 -4.640 1.331 1.00 1.62 C ATOM 488 C LYS A 45 2.885 -3.980 2.062 1.00 1.75 C ATOM 489 O LYS A 45 1.788 -4.529 2.018 1.00 1.92 O ATOM 490 CB LYS A 45 4.915 -5.448 2.318 1.00 1.57 C ATOM 491 CG LYS A 45 5.730 -6.542 1.616 1.00 2.38 C ATOM 492 CD LYS A 45 6.491 -7.373 2.655 1.00 2.10 C ATOM 493 CE LYS A 45 7.230 -8.532 1.982 1.00 3.38 C ATOM 494 NZ LYS A 45 8.059 -9.281 2.954 1.00 3.24 N ATOM 0 H LYS A 45 5.837 -3.604 0.910 1.00 1.52 H new ATOM 0 HA LYS A 45 3.636 -5.323 0.592 1.00 1.62 H new ATOM 0 HB2 LYS A 45 5.592 -4.774 2.844 1.00 1.57 H new ATOM 0 HB3 LYS A 45 4.271 -5.903 3.070 1.00 1.57 H new ATOM 0 HG2 LYS A 45 5.068 -7.186 1.037 1.00 2.38 H new ATOM 0 HG3 LYS A 45 6.431 -6.091 0.914 1.00 2.38 H new ATOM 0 HD2 LYS A 45 7.203 -6.740 3.185 1.00 2.10 H new ATOM 0 HD3 LYS A 45 5.795 -7.761 3.399 1.00 2.10 H new ATOM 0 HE2 LYS A 45 6.509 -9.207 1.521 1.00 3.38 H new ATOM 0 HE3 LYS A 45 7.863 -8.147 1.182 1.00 3.38 H new ATOM 0 HZ1 LYS A 45 8.547 -10.060 2.467 1.00 3.24 H new ATOM 0 HZ2 LYS A 45 8.763 -8.642 3.376 1.00 3.24 H new ATOM 0 HZ3 LYS A 45 7.451 -9.668 3.703 1.00 3.24 H new ATOM 508 N ASN A 46 3.060 -2.796 2.659 1.00 1.69 N ATOM 509 CA ASN A 46 1.973 -2.069 3.337 1.00 1.78 C ATOM 510 C ASN A 46 0.824 -1.770 2.357 1.00 1.86 C ATOM 511 O ASN A 46 -0.345 -1.897 2.718 1.00 1.96 O ATOM 512 CB ASN A 46 2.474 -0.759 3.979 1.00 1.77 C ATOM 513 CG ASN A 46 3.560 -0.911 5.031 1.00 1.71 C ATOM 514 OD1 ASN A 46 3.817 -1.979 5.565 1.00 1.77 O ATOM 515 ND2 ASN A 46 4.220 0.177 5.353 1.00 1.64 N ATOM 0 H ASN A 46 3.957 -2.312 2.688 1.00 1.69 H new ATOM 0 HA ASN A 46 1.602 -2.713 4.134 1.00 1.78 H new ATOM 0 HB2 ASN A 46 2.849 -0.109 3.188 1.00 1.77 H new ATOM 0 HB3 ASN A 46 1.623 -0.251 4.433 1.00 1.77 H new ATOM 0 HD21 ASN A 46 4.957 0.137 6.057 1.00 1.64 H new ATOM 0 HD22 ASN A 46 3.996 1.063 4.900 1.00 1.64 H new ATOM 522 N CYS A 47 1.132 -1.460 1.093 1.00 1.87 N ATOM 523 CA CYS A 47 0.128 -1.201 0.064 1.00 1.91 C ATOM 524 C CYS A 47 -0.742 -2.413 -0.320 1.00 2.03 C ATOM 525 O CYS A 47 -1.839 -2.232 -0.853 1.00 2.52 O ATOM 526 CB CYS A 47 0.827 -0.700 -1.203 1.00 1.89 C ATOM 527 SG CYS A 47 1.841 0.794 -1.128 1.00 1.58 S ATOM 0 H CYS A 47 2.092 -1.382 0.757 1.00 1.87 H new ATOM 0 HA CYS A 47 -0.545 -0.461 0.497 1.00 1.91 H new ATOM 0 HB2 CYS A 47 1.462 -1.508 -1.567 1.00 1.89 H new ATOM 0 HB3 CYS A 47 0.057 -0.535 -1.957 1.00 1.89 H new ATOM 532 N ARG A 48 -0.282 -3.638 -0.042 1.00 1.72 N ATOM 533 CA ARG A 48 -1.104 -4.862 -0.081 1.00 1.67 C ATOM 534 C ARG A 48 -1.759 -5.130 1.275 1.00 1.49 C ATOM 535 O ARG A 48 -2.977 -5.255 1.371 1.00 1.29 O ATOM 536 CB ARG A 48 -0.260 -6.077 -0.528 1.00 1.86 C ATOM 537 CG ARG A 48 0.550 -5.910 -1.830 1.00 1.98 C ATOM 538 CD ARG A 48 -0.291 -5.635 -3.084 1.00 2.70 C ATOM 539 NE ARG A 48 -1.277 -6.699 -3.360 1.00 3.90 N ATOM 540 CZ ARG A 48 -1.153 -7.749 -4.154 1.00 4.45 C ATOM 541 NH1 ARG A 48 -0.037 -8.079 -4.736 1.00 4.30 N ATOM 542 NH2 ARG A 48 -2.177 -8.512 -4.387 1.00 5.97 N ATOM 0 H ARG A 48 0.688 -3.814 0.221 1.00 1.72 H new ATOM 0 HA ARG A 48 -1.897 -4.708 -0.813 1.00 1.67 H new ATOM 0 HB2 ARG A 48 0.433 -6.325 0.276 1.00 1.86 H new ATOM 0 HB3 ARG A 48 -0.927 -6.930 -0.648 1.00 1.86 H new ATOM 0 HG2 ARG A 48 1.257 -5.091 -1.698 1.00 1.98 H new ATOM 0 HG3 ARG A 48 1.136 -6.814 -1.995 1.00 1.98 H new ATOM 0 HD2 ARG A 48 -0.813 -4.685 -2.964 1.00 2.70 H new ATOM 0 HD3 ARG A 48 0.371 -5.529 -3.943 1.00 2.70 H new ATOM 0 HE ARG A 48 -2.170 -6.613 -2.875 1.00 3.90 H new ATOM 0 HH11 ARG A 48 0.801 -7.516 -4.589 1.00 4.30 H new ATOM 0 HH12 ARG A 48 0.000 -8.901 -5.339 1.00 4.30 H new ATOM 0 HH21 ARG A 48 -3.078 -8.302 -3.957 1.00 5.97 H new ATOM 0 HH22 ARG A 48 -2.081 -9.322 -5.000 1.00 5.97 H new ATOM 556 N ARG A 49 -0.951 -5.154 2.339 1.00 1.56 N ATOM 557 CA ARG A 49 -1.324 -5.515 3.716 1.00 1.44 C ATOM 558 C ARG A 49 -2.442 -4.634 4.288 1.00 1.19 C ATOM 559 O ARG A 49 -3.337 -5.174 4.944 1.00 1.00 O ATOM 560 CB ARG A 49 -0.031 -5.489 4.554 1.00 1.68 C ATOM 561 CG ARG A 49 -0.207 -5.925 6.015 1.00 1.66 C ATOM 562 CD ARG A 49 1.116 -6.316 6.688 1.00 2.29 C ATOM 563 NE ARG A 49 2.165 -5.280 6.596 1.00 2.79 N ATOM 564 CZ ARG A 49 3.467 -5.513 6.639 1.00 3.67 C ATOM 565 NH1 ARG A 49 3.960 -6.690 6.886 1.00 4.03 N ATOM 566 NH2 ARG A 49 4.340 -4.576 6.431 1.00 4.98 N ATOM 0 H ARG A 49 0.036 -4.909 2.262 1.00 1.56 H new ATOM 0 HA ARG A 49 -1.759 -6.514 3.739 1.00 1.44 H new ATOM 0 HB2 ARG A 49 0.706 -6.138 4.081 1.00 1.68 H new ATOM 0 HB3 ARG A 49 0.377 -4.478 4.537 1.00 1.68 H new ATOM 0 HG2 ARG A 49 -0.668 -5.113 6.578 1.00 1.66 H new ATOM 0 HG3 ARG A 49 -0.893 -6.771 6.056 1.00 1.66 H new ATOM 0 HD2 ARG A 49 0.927 -6.535 7.739 1.00 2.29 H new ATOM 0 HD3 ARG A 49 1.486 -7.235 6.233 1.00 2.29 H new ATOM 0 HE ARG A 49 1.863 -4.311 6.491 1.00 2.79 H new ATOM 0 HH11 ARG A 49 3.336 -7.479 7.056 1.00 4.03 H new ATOM 0 HH12 ARG A 49 4.971 -6.825 6.910 1.00 4.03 H new ATOM 0 HH21 ARG A 49 4.030 -3.626 6.227 1.00 4.98 H new ATOM 0 HH22 ARG A 49 5.337 -4.789 6.472 1.00 4.98 H new ATOM 580 N PHE A 50 -2.456 -3.330 3.986 1.00 1.22 N ATOM 581 CA PHE A 50 -3.538 -2.431 4.405 1.00 1.04 C ATOM 582 C PHE A 50 -4.872 -2.849 3.792 1.00 0.84 C ATOM 583 O PHE A 50 -5.848 -3.123 4.490 1.00 0.66 O ATOM 584 CB PHE A 50 -3.213 -0.998 3.963 1.00 1.12 C ATOM 585 CG PHE A 50 -4.270 0.017 4.362 1.00 0.95 C ATOM 586 CD1 PHE A 50 -4.362 0.461 5.695 1.00 1.63 C ATOM 587 CD2 PHE A 50 -5.193 0.487 3.409 1.00 2.13 C ATOM 588 CE1 PHE A 50 -5.368 1.372 6.067 1.00 1.69 C ATOM 589 CE2 PHE A 50 -6.202 1.392 3.779 1.00 2.01 C ATOM 590 CZ PHE A 50 -6.290 1.835 5.110 1.00 0.77 C ATOM 0 H PHE A 50 -1.722 -2.870 3.447 1.00 1.22 H new ATOM 0 HA PHE A 50 -3.622 -2.484 5.491 1.00 1.04 H new ATOM 0 HB2 PHE A 50 -2.256 -0.702 4.394 1.00 1.12 H new ATOM 0 HB3 PHE A 50 -3.094 -0.979 2.880 1.00 1.12 H new ATOM 0 HD1 PHE A 50 -3.660 0.102 6.433 1.00 1.63 H new ATOM 0 HD2 PHE A 50 -5.125 0.149 2.385 1.00 2.13 H new ATOM 0 HE1 PHE A 50 -5.433 1.716 7.089 1.00 1.69 H new ATOM 0 HE2 PHE A 50 -6.908 1.746 3.043 1.00 2.01 H new ATOM 0 HZ PHE A 50 -7.065 2.530 5.398 1.00 0.77 H new ATOM 600 N TRP A 51 -4.899 -2.945 2.464 1.00 0.94 N ATOM 601 CA TRP A 51 -6.128 -3.246 1.735 1.00 0.86 C ATOM 602 C TRP A 51 -6.599 -4.695 1.957 1.00 0.84 C ATOM 603 O TRP A 51 -7.801 -4.922 2.059 1.00 0.75 O ATOM 604 CB TRP A 51 -5.955 -2.837 0.270 1.00 1.01 C ATOM 605 CG TRP A 51 -5.889 -1.346 0.056 1.00 0.97 C ATOM 606 CD1 TRP A 51 -4.784 -0.621 -0.244 1.00 1.05 C ATOM 607 CD2 TRP A 51 -6.970 -0.360 0.165 1.00 0.87 C ATOM 608 NE1 TRP A 51 -5.123 0.696 -0.449 1.00 1.02 N ATOM 609 CE2 TRP A 51 -6.440 0.931 -0.142 1.00 0.90 C ATOM 610 CE3 TRP A 51 -8.336 -0.416 0.520 1.00 0.78 C ATOM 611 CZ2 TRP A 51 -7.214 2.098 -0.122 1.00 0.85 C ATOM 612 CZ3 TRP A 51 -9.119 0.757 0.574 1.00 0.73 C ATOM 613 CH2 TRP A 51 -8.562 2.010 0.255 1.00 0.77 C ATOM 0 H TRP A 51 -4.080 -2.818 1.870 1.00 0.94 H new ATOM 0 HA TRP A 51 -6.951 -2.652 2.133 1.00 0.86 H new ATOM 0 HB2 TRP A 51 -5.043 -3.291 -0.118 1.00 1.01 H new ATOM 0 HB3 TRP A 51 -6.784 -3.241 -0.310 1.00 1.01 H new ATOM 0 HD1 TRP A 51 -3.783 -1.020 -0.312 1.00 1.05 H new ATOM 0 HE1 TRP A 51 -4.477 1.409 -0.787 1.00 1.02 H new ATOM 0 HE3 TRP A 51 -8.787 -1.369 0.753 1.00 0.78 H new ATOM 0 HZ2 TRP A 51 -6.780 3.049 -0.392 1.00 0.85 H new ATOM 0 HZ3 TRP A 51 -10.158 0.693 0.863 1.00 0.73 H new ATOM 0 HH2 TRP A 51 -9.171 2.901 0.300 1.00 0.77 H new ATOM 624 N ASN A 52 -5.686 -5.646 2.187 1.00 0.94 N ATOM 625 CA ASN A 52 -5.995 -6.984 2.680 1.00 0.91 C ATOM 626 C ASN A 52 -6.654 -6.949 4.076 1.00 0.73 C ATOM 627 O ASN A 52 -7.635 -7.659 4.300 1.00 0.70 O ATOM 628 CB ASN A 52 -4.689 -7.800 2.676 1.00 1.08 C ATOM 629 CG ASN A 52 -4.263 -8.303 1.303 1.00 1.36 C ATOM 630 OD1 ASN A 52 -4.897 -8.072 0.280 1.00 1.70 O ATOM 631 ND2 ASN A 52 -3.168 -9.017 1.230 1.00 1.64 N ATOM 0 H ASN A 52 -4.689 -5.498 2.030 1.00 0.94 H new ATOM 0 HA ASN A 52 -6.728 -7.458 2.028 1.00 0.91 H new ATOM 0 HB2 ASN A 52 -3.889 -7.184 3.088 1.00 1.08 H new ATOM 0 HB3 ASN A 52 -4.808 -8.655 3.342 1.00 1.08 H new ATOM 0 HD21 ASN A 52 -2.851 -9.374 0.329 1.00 1.64 H new ATOM 0 HD22 ASN A 52 -2.632 -9.216 2.074 1.00 1.64 H new ATOM 638 N SER A 53 -6.201 -6.081 4.994 1.00 0.67 N ATOM 639 CA SER A 53 -6.908 -5.855 6.268 1.00 0.55 C ATOM 640 C SER A 53 -8.312 -5.268 6.081 1.00 0.41 C ATOM 641 O SER A 53 -9.254 -5.753 6.705 1.00 0.39 O ATOM 642 CB SER A 53 -6.091 -4.963 7.209 1.00 0.61 C ATOM 643 OG SER A 53 -5.354 -5.778 8.098 1.00 1.38 O ATOM 0 H SER A 53 -5.353 -5.526 4.881 1.00 0.67 H new ATOM 0 HA SER A 53 -7.026 -6.840 6.720 1.00 0.55 H new ATOM 0 HB2 SER A 53 -5.416 -4.329 6.634 1.00 0.61 H new ATOM 0 HB3 SER A 53 -6.753 -4.301 7.767 1.00 0.61 H new ATOM 0 HG SER A 53 -4.828 -5.212 8.701 1.00 1.38 H new ATOM 649 N ILE A 54 -8.499 -4.292 5.185 1.00 0.39 N ATOM 650 CA ILE A 54 -9.834 -3.742 4.874 1.00 0.36 C ATOM 651 C ILE A 54 -10.765 -4.841 4.339 1.00 0.49 C ATOM 652 O ILE A 54 -11.918 -4.948 4.758 1.00 0.58 O ATOM 653 CB ILE A 54 -9.706 -2.562 3.884 1.00 0.41 C ATOM 654 CG1 ILE A 54 -8.893 -1.383 4.469 1.00 0.44 C ATOM 655 CG2 ILE A 54 -11.073 -2.068 3.384 1.00 0.49 C ATOM 656 CD1 ILE A 54 -9.482 -0.727 5.726 1.00 0.49 C ATOM 0 H ILE A 54 -7.740 -3.861 4.657 1.00 0.39 H new ATOM 0 HA ILE A 54 -10.283 -3.360 5.791 1.00 0.36 H new ATOM 0 HB ILE A 54 -9.156 -2.956 3.030 1.00 0.41 H new ATOM 0 HG12 ILE A 54 -7.890 -1.738 4.703 1.00 0.44 H new ATOM 0 HG13 ILE A 54 -8.789 -0.620 3.698 1.00 0.44 H new ATOM 0 HG21 ILE A 54 -10.929 -1.239 2.691 1.00 0.49 H new ATOM 0 HG22 ILE A 54 -11.589 -2.881 2.874 1.00 0.49 H new ATOM 0 HG23 ILE A 54 -11.671 -1.733 4.232 1.00 0.49 H new ATOM 0 HD11 ILE A 54 -8.833 0.086 6.050 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -10.473 -0.332 5.500 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -9.559 -1.469 6.521 1.00 0.49 H new ATOM 668 N VAL A 55 -10.256 -5.722 3.479 1.00 0.60 N ATOM 669 CA VAL A 55 -10.996 -6.877 2.955 1.00 0.79 C ATOM 670 C VAL A 55 -11.375 -7.859 4.059 1.00 0.73 C ATOM 671 O VAL A 55 -12.528 -8.276 4.100 1.00 0.80 O ATOM 672 CB VAL A 55 -10.171 -7.550 1.841 1.00 0.97 C ATOM 673 CG1 VAL A 55 -10.639 -8.954 1.443 1.00 1.14 C ATOM 674 CG2 VAL A 55 -10.229 -6.658 0.602 1.00 1.14 C ATOM 0 H VAL A 55 -9.304 -5.655 3.119 1.00 0.60 H new ATOM 0 HA VAL A 55 -11.937 -6.527 2.530 1.00 0.79 H new ATOM 0 HB VAL A 55 -9.164 -7.670 2.240 1.00 0.97 H new ATOM 0 HG11 VAL A 55 -9.996 -9.342 0.653 1.00 1.14 H new ATOM 0 HG12 VAL A 55 -10.588 -9.614 2.309 1.00 1.14 H new ATOM 0 HG13 VAL A 55 -11.667 -8.907 1.083 1.00 1.14 H new ATOM 0 HG21 VAL A 55 -9.651 -7.114 -0.202 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -11.265 -6.544 0.284 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -9.812 -5.679 0.839 1.00 1.14 H new ATOM 684 N MET A 56 -10.493 -8.162 5.016 1.00 0.64 N ATOM 685 CA MET A 56 -10.853 -8.968 6.197 1.00 0.65 C ATOM 686 C MET A 56 -11.909 -8.285 7.085 1.00 0.67 C ATOM 687 O MET A 56 -12.796 -8.950 7.629 1.00 0.84 O ATOM 688 CB MET A 56 -9.593 -9.309 7.008 1.00 0.60 C ATOM 689 CG MET A 56 -8.728 -10.356 6.296 1.00 0.79 C ATOM 690 SD MET A 56 -9.510 -11.988 6.100 1.00 1.59 S ATOM 691 CE MET A 56 -8.272 -12.791 5.047 1.00 2.30 C ATOM 0 H MET A 56 -9.518 -7.862 5.000 1.00 0.64 H new ATOM 0 HA MET A 56 -11.307 -9.890 5.833 1.00 0.65 H new ATOM 0 HB2 MET A 56 -9.009 -8.403 7.171 1.00 0.60 H new ATOM 0 HB3 MET A 56 -9.882 -9.683 7.990 1.00 0.60 H new ATOM 0 HG2 MET A 56 -8.461 -9.976 5.310 1.00 0.79 H new ATOM 0 HG3 MET A 56 -7.799 -10.479 6.853 1.00 0.79 H new ATOM 0 HE1 MET A 56 -8.590 -13.810 4.824 1.00 2.30 H new ATOM 0 HE2 MET A 56 -8.167 -12.232 4.117 1.00 2.30 H new ATOM 0 HE3 MET A 56 -7.314 -12.815 5.566 1.00 2.30 H new ATOM 701 N GLN A 57 -11.873 -6.954 7.164 1.00 0.54 N ATOM 702 CA GLN A 57 -12.882 -6.124 7.831 1.00 0.60 C ATOM 703 C GLN A 57 -14.180 -5.943 7.019 1.00 0.68 C ATOM 704 O GLN A 57 -15.202 -5.557 7.593 1.00 0.95 O ATOM 705 CB GLN A 57 -12.261 -4.776 8.244 1.00 0.57 C ATOM 706 CG GLN A 57 -11.187 -4.920 9.338 1.00 0.61 C ATOM 707 CD GLN A 57 -11.755 -5.547 10.606 1.00 0.91 C ATOM 708 OE1 GLN A 57 -12.671 -5.027 11.227 1.00 1.62 O ATOM 709 NE2 GLN A 57 -11.294 -6.701 11.028 1.00 1.26 N ATOM 0 H GLN A 57 -11.118 -6.405 6.753 1.00 0.54 H new ATOM 0 HA GLN A 57 -13.195 -6.660 8.727 1.00 0.60 H new ATOM 0 HB2 GLN A 57 -11.818 -4.302 7.368 1.00 0.57 H new ATOM 0 HB3 GLN A 57 -13.049 -4.113 8.601 1.00 0.57 H new ATOM 0 HG2 GLN A 57 -10.367 -5.533 8.965 1.00 0.61 H new ATOM 0 HG3 GLN A 57 -10.771 -3.940 9.571 1.00 0.61 H new ATOM 0 HE21 GLN A 57 -10.530 -7.158 10.530 1.00 1.26 H new ATOM 0 HE22 GLN A 57 -11.699 -7.141 11.854 1.00 1.26 H new ATOM 718 N ARG A 58 -14.208 -6.279 5.723 1.00 0.61 N ATOM 719 CA ARG A 58 -15.451 -6.505 4.954 1.00 0.77 C ATOM 720 C ARG A 58 -15.933 -7.965 4.971 1.00 0.96 C ATOM 721 O ARG A 58 -17.130 -8.228 4.845 1.00 1.03 O ATOM 722 CB ARG A 58 -15.292 -6.021 3.498 1.00 0.80 C ATOM 723 CG ARG A 58 -14.872 -4.564 3.202 1.00 0.73 C ATOM 724 CD ARG A 58 -15.172 -3.507 4.278 1.00 2.25 C ATOM 725 NE ARG A 58 -15.483 -2.192 3.678 1.00 1.97 N ATOM 726 CZ ARG A 58 -15.445 -0.995 4.241 1.00 2.54 C ATOM 727 NH1 ARG A 58 -15.013 -0.769 5.443 1.00 3.60 N ATOM 728 NH2 ARG A 58 -15.860 0.063 3.613 1.00 2.45 N ATOM 0 H ARG A 58 -13.362 -6.404 5.167 1.00 0.61 H new ATOM 0 HA ARG A 58 -16.218 -5.917 5.457 1.00 0.77 H new ATOM 0 HB2 ARG A 58 -14.559 -6.671 3.020 1.00 0.80 H new ATOM 0 HB3 ARG A 58 -16.244 -6.191 2.996 1.00 0.80 H new ATOM 0 HG2 ARG A 58 -13.799 -4.555 3.012 1.00 0.73 H new ATOM 0 HG3 ARG A 58 -15.362 -4.253 2.279 1.00 0.73 H new ATOM 0 HD2 ARG A 58 -16.013 -3.837 4.888 1.00 2.25 H new ATOM 0 HD3 ARG A 58 -14.314 -3.410 4.943 1.00 2.25 H new ATOM 0 HE ARG A 58 -15.765 -2.210 2.698 1.00 1.97 H new ATOM 0 HH11 ARG A 58 -14.674 -1.541 6.017 1.00 3.60 H new ATOM 0 HH12 ARG A 58 -15.012 0.181 5.814 1.00 3.60 H new ATOM 0 HH21 ARG A 58 -16.226 -0.018 2.664 1.00 2.45 H new ATOM 0 HH22 ARG A 58 -15.820 0.975 4.069 1.00 2.45 H new ATOM 742 N ARG A 59 -15.019 -8.923 5.149 1.00 1.05 N ATOM 743 CA ARG A 59 -15.299 -10.371 5.125 1.00 1.24 C ATOM 744 C ARG A 59 -15.973 -10.868 6.402 1.00 1.38 C ATOM 745 O ARG A 59 -16.815 -11.764 6.324 1.00 1.62 O ATOM 746 CB ARG A 59 -14.023 -11.142 4.742 1.00 1.24 C ATOM 747 CG ARG A 59 -14.237 -12.661 4.615 1.00 1.50 C ATOM 748 CD ARG A 59 -13.156 -13.301 3.730 1.00 1.52 C ATOM 749 NE ARG A 59 -13.192 -14.773 3.808 1.00 1.99 N ATOM 750 CZ ARG A 59 -12.240 -15.615 3.447 1.00 2.43 C ATOM 751 NH1 ARG A 59 -11.154 -15.267 2.822 1.00 2.45 N ATOM 752 NH2 ARG A 59 -12.355 -16.876 3.730 1.00 3.08 N ATOM 0 H ARG A 59 -14.036 -8.712 5.319 1.00 1.05 H new ATOM 0 HA ARG A 59 -16.040 -10.570 4.351 1.00 1.24 H new ATOM 0 HB2 ARG A 59 -13.646 -10.756 3.795 1.00 1.24 H new ATOM 0 HB3 ARG A 59 -13.255 -10.953 5.492 1.00 1.24 H new ATOM 0 HG2 ARG A 59 -14.218 -13.118 5.605 1.00 1.50 H new ATOM 0 HG3 ARG A 59 -15.222 -12.858 4.191 1.00 1.50 H new ATOM 0 HD2 ARG A 59 -13.299 -12.987 2.696 1.00 1.52 H new ATOM 0 HD3 ARG A 59 -12.174 -12.944 4.039 1.00 1.52 H new ATOM 0 HE ARG A 59 -14.046 -15.187 4.182 1.00 1.99 H new ATOM 0 HH11 ARG A 59 -10.996 -14.289 2.580 1.00 2.45 H new ATOM 0 HH12 ARG A 59 -10.460 -15.972 2.574 1.00 2.45 H new ATOM 0 HH21 ARG A 59 -13.178 -17.214 4.229 1.00 3.08 H new ATOM 0 HH22 ARG A 59 -11.623 -17.530 3.453 1.00 3.08 H new ATOM 766 N LYS A 60 -15.716 -10.226 7.545 1.00 1.33 N ATOM 767 CA LYS A 60 -16.320 -10.566 8.846 1.00 1.59 C ATOM 768 C LYS A 60 -17.859 -10.575 8.882 1.00 1.96 C ATOM 769 O LYS A 60 -18.411 -11.384 9.631 1.00 2.14 O ATOM 770 CB LYS A 60 -15.721 -9.677 9.946 1.00 1.68 C ATOM 771 CG LYS A 60 -16.044 -8.192 9.761 1.00 1.86 C ATOM 772 CD LYS A 60 -15.442 -7.334 10.872 1.00 2.07 C ATOM 773 CE LYS A 60 -15.936 -5.894 10.700 1.00 2.18 C ATOM 774 NZ LYS A 60 -15.435 -5.014 11.775 1.00 2.59 N ATOM 0 H LYS A 60 -15.070 -9.439 7.598 1.00 1.33 H new ATOM 0 HA LYS A 60 -16.061 -11.608 9.031 1.00 1.59 H new ATOM 0 HB2 LYS A 60 -16.096 -10.006 10.915 1.00 1.68 H new ATOM 0 HB3 LYS A 60 -14.639 -9.808 9.962 1.00 1.68 H new ATOM 0 HG2 LYS A 60 -15.664 -7.856 8.796 1.00 1.86 H new ATOM 0 HG3 LYS A 60 -17.125 -8.055 9.743 1.00 1.86 H new ATOM 0 HD2 LYS A 60 -15.734 -7.720 11.849 1.00 2.07 H new ATOM 0 HD3 LYS A 60 -14.353 -7.368 10.829 1.00 2.07 H new ATOM 0 HE2 LYS A 60 -15.610 -5.510 9.733 1.00 2.18 H new ATOM 0 HE3 LYS A 60 -17.026 -5.881 10.697 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 -15.857 -4.069 11.675 1.00 2.59 H new ATOM 0 HZ2 LYS A 60 -15.695 -5.413 12.700 1.00 2.59 H new ATOM 0 HZ3 LYS A 60 -14.400 -4.940 11.709 1.00 2.59 H new ATOM 788 N ASN A 61 -18.556 -9.759 8.073 1.00 2.13 N ATOM 789 CA ASN A 61 -20.024 -9.822 7.932 1.00 2.50 C ATOM 790 C ASN A 61 -20.515 -10.700 6.755 1.00 2.53 C ATOM 791 O ASN A 61 -21.696 -11.054 6.714 1.00 2.80 O ATOM 792 CB ASN A 61 -20.609 -8.398 7.880 1.00 2.79 C ATOM 793 CG ASN A 61 -20.595 -7.704 9.230 1.00 3.02 C ATOM 794 OD1 ASN A 61 -21.496 -7.826 10.048 1.00 3.29 O ATOM 795 ND2 ASN A 61 -19.572 -6.944 9.512 1.00 3.02 N ATOM 0 H ASN A 61 -18.120 -9.038 7.499 1.00 2.13 H new ATOM 0 HA ASN A 61 -20.402 -10.330 8.819 1.00 2.50 H new ATOM 0 HB2 ASN A 61 -20.040 -7.803 7.165 1.00 2.79 H new ATOM 0 HB3 ASN A 61 -21.634 -8.445 7.512 1.00 2.79 H new ATOM 0 HD21 ASN A 61 -19.529 -6.458 10.408 1.00 3.02 H new ATOM 0 HD22 ASN A 61 -18.815 -6.836 8.836 1.00 3.02 H new ATOM 802 N GLY A 62 -19.643 -11.079 5.810 1.00 2.32 N ATOM 803 CA GLY A 62 -19.968 -11.995 4.700 1.00 2.42 C ATOM 804 C GLY A 62 -20.942 -11.428 3.652 1.00 2.83 C ATOM 805 O GLY A 62 -21.661 -12.185 3.000 1.00 3.22 O ATOM 0 H GLY A 62 -18.676 -10.754 5.792 1.00 2.32 H new ATOM 0 HA2 GLY A 62 -19.042 -12.277 4.198 1.00 2.42 H new ATOM 0 HA3 GLY A 62 -20.396 -12.907 5.115 1.00 2.42 H new ATOM 809 N VAL A 63 -21.033 -10.099 3.536 1.00 2.86 N ATOM 810 CA VAL A 63 -22.277 -9.391 3.144 1.00 3.51 C ATOM 811 C VAL A 63 -22.249 -8.675 1.778 1.00 3.39 C ATOM 812 O VAL A 63 -23.300 -8.408 1.186 1.00 4.20 O ATOM 813 CB VAL A 63 -22.650 -8.433 4.298 1.00 3.85 C ATOM 814 CG1 VAL A 63 -21.678 -7.257 4.454 1.00 3.32 C ATOM 815 CG2 VAL A 63 -24.070 -7.888 4.190 1.00 4.65 C ATOM 0 H VAL A 63 -20.247 -9.472 3.710 1.00 2.86 H new ATOM 0 HA VAL A 63 -23.045 -10.149 2.988 1.00 3.51 H new ATOM 0 HB VAL A 63 -22.580 -9.060 5.187 1.00 3.85 H new ATOM 0 HG11 VAL A 63 -22.001 -6.626 5.282 1.00 3.32 H new ATOM 0 HG12 VAL A 63 -20.677 -7.637 4.656 1.00 3.32 H new ATOM 0 HG13 VAL A 63 -21.665 -6.671 3.535 1.00 3.32 H new ATOM 0 HG21 VAL A 63 -24.269 -7.222 5.030 1.00 4.65 H new ATOM 0 HG22 VAL A 63 -24.178 -7.336 3.256 1.00 4.65 H new ATOM 0 HG23 VAL A 63 -24.779 -8.715 4.207 1.00 4.65 H new ATOM 825 N LYS A 64 -21.051 -8.362 1.277 1.00 2.52 N ATOM 826 CA LYS A 64 -20.765 -7.519 0.106 1.00 2.36 C ATOM 827 C LYS A 64 -19.621 -8.077 -0.750 1.00 2.28 C ATOM 828 O LYS A 64 -18.904 -8.957 -0.268 1.00 2.26 O ATOM 829 CB LYS A 64 -20.409 -6.119 0.641 1.00 2.07 C ATOM 830 CG LYS A 64 -19.234 -6.076 1.638 1.00 1.81 C ATOM 831 CD LYS A 64 -18.574 -4.696 1.769 1.00 1.68 C ATOM 832 CE LYS A 64 -19.503 -3.474 1.829 1.00 1.79 C ATOM 833 NZ LYS A 64 -20.445 -3.487 2.974 1.00 2.51 N ATOM 0 H LYS A 64 -20.195 -8.713 1.706 1.00 2.52 H new ATOM 0 HA LYS A 64 -21.637 -7.488 -0.547 1.00 2.36 H new ATOM 0 HB2 LYS A 64 -20.170 -5.474 -0.205 1.00 2.07 H new ATOM 0 HB3 LYS A 64 -21.290 -5.698 1.124 1.00 2.07 H new ATOM 0 HG2 LYS A 64 -19.592 -6.390 2.618 1.00 1.81 H new ATOM 0 HG3 LYS A 64 -18.480 -6.799 1.327 1.00 1.81 H new ATOM 0 HD2 LYS A 64 -17.962 -4.699 2.671 1.00 1.68 H new ATOM 0 HD3 LYS A 64 -17.897 -4.564 0.925 1.00 1.68 H new ATOM 0 HE2 LYS A 64 -18.895 -2.571 1.882 1.00 1.79 H new ATOM 0 HE3 LYS A 64 -20.074 -3.419 0.902 1.00 1.79 H new ATOM 0 HZ1 LYS A 64 -21.037 -2.632 2.946 1.00 2.51 H new ATOM 0 HZ2 LYS A 64 -21.051 -4.330 2.915 1.00 2.51 H new ATOM 0 HZ3 LYS A 64 -19.909 -3.508 3.865 1.00 2.51 H new ATOM 847 N PRO A 65 -19.374 -7.542 -1.960 1.00 2.30 N ATOM 848 CA PRO A 65 -18.051 -7.626 -2.578 1.00 2.22 C ATOM 849 C PRO A 65 -16.999 -6.971 -1.664 1.00 1.84 C ATOM 850 O PRO A 65 -17.082 -5.777 -1.369 1.00 1.66 O ATOM 851 CB PRO A 65 -18.208 -6.906 -3.922 1.00 2.42 C ATOM 852 CG PRO A 65 -19.344 -5.912 -3.695 1.00 2.39 C ATOM 853 CD PRO A 65 -20.257 -6.689 -2.753 1.00 2.45 C ATOM 0 HA PRO A 65 -17.704 -8.648 -2.727 1.00 2.22 H new ATOM 0 HB2 PRO A 65 -17.288 -6.398 -4.209 1.00 2.42 H new ATOM 0 HB3 PRO A 65 -18.448 -7.607 -4.722 1.00 2.42 H new ATOM 0 HG2 PRO A 65 -18.991 -4.983 -3.248 1.00 2.39 H new ATOM 0 HG3 PRO A 65 -19.847 -5.647 -4.625 1.00 2.39 H new ATOM 0 HD2 PRO A 65 -20.826 -6.014 -2.114 1.00 2.45 H new ATOM 0 HD3 PRO A 65 -20.979 -7.285 -3.311 1.00 2.45 H new ATOM 861 N PHE A 66 -16.042 -7.760 -1.164 1.00 1.77 N ATOM 862 CA PHE A 66 -15.116 -7.332 -0.103 1.00 1.54 C ATOM 863 C PHE A 66 -14.028 -6.372 -0.577 1.00 1.44 C ATOM 864 O PHE A 66 -13.779 -5.369 0.086 1.00 1.30 O ATOM 865 CB PHE A 66 -14.442 -8.546 0.544 1.00 1.56 C ATOM 866 CG PHE A 66 -15.354 -9.618 1.096 1.00 1.72 C ATOM 867 CD1 PHE A 66 -16.538 -9.281 1.773 1.00 3.18 C ATOM 868 CD2 PHE A 66 -14.995 -10.967 0.941 1.00 1.80 C ATOM 869 CE1 PHE A 66 -17.380 -10.288 2.271 1.00 3.38 C ATOM 870 CE2 PHE A 66 -15.824 -11.978 1.461 1.00 1.91 C ATOM 871 CZ PHE A 66 -17.016 -11.637 2.125 1.00 2.15 C ATOM 0 H PHE A 66 -15.885 -8.716 -1.483 1.00 1.77 H new ATOM 0 HA PHE A 66 -15.734 -6.795 0.616 1.00 1.54 H new ATOM 0 HB2 PHE A 66 -13.787 -9.005 -0.196 1.00 1.56 H new ATOM 0 HB3 PHE A 66 -13.807 -8.190 1.355 1.00 1.56 H new ATOM 0 HD1 PHE A 66 -16.802 -8.243 1.911 1.00 3.18 H new ATOM 0 HD2 PHE A 66 -14.084 -11.228 0.423 1.00 1.80 H new ATOM 0 HE1 PHE A 66 -18.304 -10.027 2.765 1.00 3.38 H new ATOM 0 HE2 PHE A 66 -15.545 -13.015 1.350 1.00 1.91 H new ATOM 0 HZ PHE A 66 -17.652 -12.413 2.523 1.00 2.15 H new ATOM 881 N MET A 67 -13.379 -6.675 -1.706 1.00 1.53 N ATOM 882 CA MET A 67 -12.462 -5.743 -2.374 1.00 1.48 C ATOM 883 C MET A 67 -13.200 -4.429 -2.711 1.00 1.37 C ATOM 884 O MET A 67 -14.110 -4.454 -3.550 1.00 1.45 O ATOM 885 CB MET A 67 -11.855 -6.383 -3.635 1.00 1.69 C ATOM 886 CG MET A 67 -10.546 -7.109 -3.324 1.00 1.65 C ATOM 887 SD MET A 67 -9.190 -5.992 -2.866 1.00 1.54 S ATOM 888 CE MET A 67 -7.932 -7.238 -2.494 1.00 1.58 C ATOM 0 H MET A 67 -13.474 -7.572 -2.183 1.00 1.53 H new ATOM 0 HA MET A 67 -11.640 -5.511 -1.697 1.00 1.48 H new ATOM 0 HB2 MET A 67 -12.568 -7.086 -4.066 1.00 1.69 H new ATOM 0 HB3 MET A 67 -11.675 -5.612 -4.384 1.00 1.69 H new ATOM 0 HG2 MET A 67 -10.715 -7.815 -2.511 1.00 1.65 H new ATOM 0 HG3 MET A 67 -10.247 -7.692 -4.195 1.00 1.65 H new ATOM 0 HE1 MET A 67 -7.130 -6.783 -1.912 1.00 1.58 H new ATOM 0 HE2 MET A 67 -8.381 -8.049 -1.920 1.00 1.58 H new ATOM 0 HE3 MET A 67 -7.526 -7.634 -3.425 1.00 1.58 H new ATOM 898 N PRO A 68 -12.843 -3.294 -2.077 1.00 1.19 N ATOM 899 CA PRO A 68 -13.665 -2.083 -2.075 1.00 1.13 C ATOM 900 C PRO A 68 -13.750 -1.407 -3.449 1.00 1.27 C ATOM 901 O PRO A 68 -12.787 -1.379 -4.225 1.00 1.36 O ATOM 902 CB PRO A 68 -13.056 -1.174 -0.999 1.00 0.94 C ATOM 903 CG PRO A 68 -11.606 -1.643 -0.895 1.00 0.97 C ATOM 904 CD PRO A 68 -11.716 -3.136 -1.169 1.00 1.11 C ATOM 0 HA PRO A 68 -14.705 -2.320 -1.849 1.00 1.13 H new ATOM 0 HB2 PRO A 68 -13.116 -0.123 -1.283 1.00 0.94 H new ATOM 0 HB3 PRO A 68 -13.578 -1.277 -0.048 1.00 0.94 H new ATOM 0 HG2 PRO A 68 -10.966 -1.144 -1.623 1.00 0.97 H new ATOM 0 HG3 PRO A 68 -11.185 -1.442 0.090 1.00 0.97 H new ATOM 0 HD2 PRO A 68 -10.798 -3.520 -1.615 1.00 1.11 H new ATOM 0 HD3 PRO A 68 -11.878 -3.692 -0.245 1.00 1.11 H new ATOM 912 N THR A 69 -14.918 -0.843 -3.764 1.00 1.33 N ATOM 913 CA THR A 69 -15.157 -0.093 -5.001 1.00 1.44 C ATOM 914 C THR A 69 -14.538 1.303 -4.925 1.00 1.29 C ATOM 915 O THR A 69 -14.122 1.748 -3.860 1.00 1.11 O ATOM 916 CB THR A 69 -16.655 -0.033 -5.359 1.00 1.56 C ATOM 917 OG1 THR A 69 -17.333 0.873 -4.519 1.00 1.41 O ATOM 918 CG2 THR A 69 -17.366 -1.386 -5.254 1.00 1.92 C ATOM 0 H THR A 69 -15.737 -0.895 -3.158 1.00 1.33 H new ATOM 0 HA THR A 69 -14.663 -0.632 -5.810 1.00 1.44 H new ATOM 0 HB THR A 69 -16.686 0.291 -6.399 1.00 1.56 H new ATOM 0 HG1 THR A 69 -18.282 0.898 -4.763 1.00 1.41 H new ATOM 0 HG21 THR A 69 -18.416 -1.267 -5.520 1.00 1.92 H new ATOM 0 HG22 THR A 69 -16.898 -2.097 -5.935 1.00 1.92 H new ATOM 0 HG23 THR A 69 -17.291 -1.758 -4.232 1.00 1.92 H new ATOM 926 N ALA A 70 -14.461 2.013 -6.045 1.00 1.41 N ATOM 927 CA ALA A 70 -13.774 3.308 -6.127 1.00 1.41 C ATOM 928 C ALA A 70 -14.275 4.352 -5.102 1.00 1.33 C ATOM 929 O ALA A 70 -13.458 5.054 -4.504 1.00 1.27 O ATOM 930 CB ALA A 70 -13.894 3.829 -7.561 1.00 1.60 C ATOM 0 H ALA A 70 -14.873 1.710 -6.928 1.00 1.41 H new ATOM 0 HA ALA A 70 -12.728 3.148 -5.865 1.00 1.41 H new ATOM 0 HB1 ALA A 70 -13.389 4.792 -7.642 1.00 1.60 H new ATOM 0 HB2 ALA A 70 -13.432 3.118 -8.246 1.00 1.60 H new ATOM 0 HB3 ALA A 70 -14.947 3.949 -7.818 1.00 1.60 H new ATOM 936 N ALA A 71 -15.584 4.420 -4.832 1.00 1.35 N ATOM 937 CA ALA A 71 -16.146 5.318 -3.817 1.00 1.31 C ATOM 938 C ALA A 71 -15.886 4.841 -2.372 1.00 1.16 C ATOM 939 O ALA A 71 -15.715 5.667 -1.471 1.00 1.09 O ATOM 940 CB ALA A 71 -17.643 5.488 -4.095 1.00 1.44 C ATOM 0 H ALA A 71 -16.284 3.853 -5.312 1.00 1.35 H new ATOM 0 HA ALA A 71 -15.640 6.281 -3.892 1.00 1.31 H new ATOM 0 HB1 ALA A 71 -18.078 6.153 -3.349 1.00 1.44 H new ATOM 0 HB2 ALA A 71 -17.782 5.915 -5.088 1.00 1.44 H new ATOM 0 HB3 ALA A 71 -18.135 4.517 -4.046 1.00 1.44 H new ATOM 946 N GLU A 72 -15.804 3.527 -2.136 1.00 1.12 N ATOM 947 CA GLU A 72 -15.395 2.957 -0.856 1.00 0.98 C ATOM 948 C GLU A 72 -13.925 3.293 -0.615 1.00 0.86 C ATOM 949 O GLU A 72 -13.596 3.905 0.396 1.00 0.78 O ATOM 950 CB GLU A 72 -15.611 1.438 -0.856 1.00 0.99 C ATOM 951 CG GLU A 72 -17.079 1.020 -0.985 1.00 1.21 C ATOM 952 CD GLU A 72 -17.829 1.152 0.340 1.00 2.59 C ATOM 953 OE1 GLU A 72 -17.449 0.473 1.323 1.00 3.79 O ATOM 954 OE2 GLU A 72 -18.835 1.893 0.396 1.00 3.51 O ATOM 0 H GLU A 72 -16.024 2.823 -2.841 1.00 1.12 H new ATOM 0 HA GLU A 72 -15.999 3.380 -0.054 1.00 0.98 H new ATOM 0 HB2 GLU A 72 -15.045 1.000 -1.678 1.00 0.99 H new ATOM 0 HB3 GLU A 72 -15.205 1.023 0.067 1.00 0.99 H new ATOM 0 HG2 GLU A 72 -17.567 1.636 -1.741 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -17.133 -0.012 -1.331 1.00 1.21 H new ATOM 961 N ARG A 73 -13.047 2.990 -1.583 1.00 0.89 N ATOM 962 CA ARG A 73 -11.629 3.373 -1.546 1.00 0.86 C ATOM 963 C ARG A 73 -11.435 4.877 -1.336 1.00 0.90 C ATOM 964 O ARG A 73 -10.555 5.250 -0.565 1.00 0.87 O ATOM 965 CB ARG A 73 -10.925 2.922 -2.833 1.00 1.00 C ATOM 966 CG ARG A 73 -10.614 1.420 -2.865 1.00 1.76 C ATOM 967 CD ARG A 73 -9.967 1.000 -4.190 1.00 2.05 C ATOM 968 NE ARG A 73 -8.760 1.783 -4.508 1.00 1.88 N ATOM 969 CZ ARG A 73 -7.514 1.603 -4.124 1.00 2.41 C ATOM 970 NH1 ARG A 73 -7.086 0.584 -3.442 1.00 3.51 N ATOM 971 NH2 ARG A 73 -6.645 2.512 -4.442 1.00 2.99 N ATOM 0 H ARG A 73 -13.304 2.468 -2.420 1.00 0.89 H new ATOM 0 HA ARG A 73 -11.181 2.869 -0.690 1.00 0.86 H new ATOM 0 HB2 ARG A 73 -11.552 3.174 -3.688 1.00 1.00 H new ATOM 0 HB3 ARG A 73 -9.995 3.480 -2.944 1.00 1.00 H new ATOM 0 HG2 ARG A 73 -9.948 1.169 -2.040 1.00 1.76 H new ATOM 0 HG3 ARG A 73 -11.534 0.855 -2.715 1.00 1.76 H new ATOM 0 HD2 ARG A 73 -9.707 -0.057 -4.143 1.00 2.05 H new ATOM 0 HD3 ARG A 73 -10.692 1.115 -4.996 1.00 2.05 H new ATOM 0 HE ARG A 73 -8.913 2.586 -5.118 1.00 1.88 H new ATOM 0 HH11 ARG A 73 -7.735 -0.153 -3.165 1.00 3.51 H new ATOM 0 HH12 ARG A 73 -6.101 0.520 -3.184 1.00 3.51 H new ATOM 0 HH21 ARG A 73 -6.937 3.333 -4.973 1.00 2.99 H new ATOM 0 HH22 ARG A 73 -5.670 2.406 -4.161 1.00 2.99 H new ATOM 985 N ASP A 74 -12.282 5.723 -1.933 1.00 1.01 N ATOM 986 CA ASP A 74 -12.274 7.169 -1.688 1.00 1.06 C ATOM 987 C ASP A 74 -12.557 7.472 -0.214 1.00 0.95 C ATOM 988 O ASP A 74 -11.714 8.087 0.438 1.00 0.98 O ATOM 989 CB ASP A 74 -13.274 7.896 -2.604 1.00 1.19 C ATOM 990 CG ASP A 74 -13.378 9.401 -2.301 1.00 1.30 C ATOM 991 OD1 ASP A 74 -12.335 10.097 -2.256 1.00 1.94 O ATOM 992 OD2 ASP A 74 -14.508 9.911 -2.099 1.00 2.42 O ATOM 0 H ASP A 74 -12.993 5.424 -2.600 1.00 1.01 H new ATOM 0 HA ASP A 74 -11.278 7.543 -1.925 1.00 1.06 H new ATOM 0 HB2 ASP A 74 -12.973 7.760 -3.643 1.00 1.19 H new ATOM 0 HB3 ASP A 74 -14.258 7.440 -2.494 1.00 1.19 H new ATOM 997 N GLU A 75 -13.681 7.001 0.340 1.00 0.91 N ATOM 998 CA GLU A 75 -14.017 7.266 1.745 1.00 0.91 C ATOM 999 C GLU A 75 -13.077 6.594 2.764 1.00 0.83 C ATOM 1000 O GLU A 75 -12.964 7.042 3.904 1.00 0.87 O ATOM 1001 CB GLU A 75 -15.486 6.957 2.048 1.00 1.00 C ATOM 1002 CG GLU A 75 -15.893 5.483 2.131 1.00 0.98 C ATOM 1003 CD GLU A 75 -17.082 5.341 3.086 1.00 1.46 C ATOM 1004 OE1 GLU A 75 -16.859 5.362 4.322 1.00 2.76 O ATOM 1005 OE2 GLU A 75 -18.246 5.242 2.629 1.00 1.74 O ATOM 0 H GLU A 75 -14.370 6.438 -0.159 1.00 0.91 H new ATOM 0 HA GLU A 75 -13.860 8.337 1.872 1.00 0.91 H new ATOM 0 HB2 GLU A 75 -15.741 7.431 2.996 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -16.096 7.432 1.279 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -16.160 5.111 1.142 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -15.055 4.881 2.483 1.00 0.98 H new ATOM 1012 N ILE A 76 -12.371 5.535 2.372 1.00 0.76 N ATOM 1013 CA ILE A 76 -11.389 4.836 3.210 1.00 0.73 C ATOM 1014 C ILE A 76 -10.056 5.601 3.216 1.00 0.85 C ATOM 1015 O ILE A 76 -9.494 5.864 4.279 1.00 0.97 O ATOM 1016 CB ILE A 76 -11.265 3.373 2.740 1.00 0.61 C ATOM 1017 CG1 ILE A 76 -12.575 2.598 3.032 1.00 0.61 C ATOM 1018 CG2 ILE A 76 -10.072 2.691 3.422 1.00 0.60 C ATOM 1019 CD1 ILE A 76 -12.809 1.405 2.095 1.00 0.57 C ATOM 0 H ILE A 76 -12.465 5.127 1.442 1.00 0.76 H new ATOM 0 HA ILE A 76 -11.721 4.806 4.248 1.00 0.73 H new ATOM 0 HB ILE A 76 -11.095 3.368 1.663 1.00 0.61 H new ATOM 0 HG12 ILE A 76 -12.553 2.241 4.062 1.00 0.61 H new ATOM 0 HG13 ILE A 76 -13.418 3.284 2.950 1.00 0.61 H new ATOM 0 HG21 ILE A 76 -9.998 1.659 3.079 1.00 0.60 H new ATOM 0 HG22 ILE A 76 -9.155 3.224 3.169 1.00 0.60 H new ATOM 0 HG23 ILE A 76 -10.214 2.705 4.503 1.00 0.60 H new ATOM 0 HD11 ILE A 76 -13.744 0.912 2.360 1.00 0.57 H new ATOM 0 HD12 ILE A 76 -12.864 1.757 1.065 1.00 0.57 H new ATOM 0 HD13 ILE A 76 -11.985 0.698 2.194 1.00 0.57 H new ATOM 1031 N LEU A 77 -9.581 6.061 2.056 1.00 0.88 N ATOM 1032 CA LEU A 77 -8.442 6.982 1.978 1.00 1.04 C ATOM 1033 C LEU A 77 -8.736 8.319 2.672 1.00 1.12 C ATOM 1034 O LEU A 77 -7.848 8.886 3.306 1.00 1.26 O ATOM 1035 CB LEU A 77 -8.089 7.217 0.510 1.00 1.12 C ATOM 1036 CG LEU A 77 -7.330 6.048 -0.146 1.00 1.16 C ATOM 1037 CD1 LEU A 77 -7.293 6.316 -1.643 1.00 1.27 C ATOM 1038 CD2 LEU A 77 -5.893 5.884 0.371 1.00 1.31 C ATOM 0 H LEU A 77 -9.972 5.808 1.148 1.00 0.88 H new ATOM 0 HA LEU A 77 -7.599 6.528 2.499 1.00 1.04 H new ATOM 0 HB2 LEU A 77 -9.007 7.400 -0.049 1.00 1.12 H new ATOM 0 HB3 LEU A 77 -7.483 8.120 0.433 1.00 1.12 H new ATOM 0 HG LEU A 77 -7.852 5.123 0.101 1.00 1.16 H new ATOM 0 HD11 LEU A 77 -6.762 5.507 -2.144 1.00 1.27 H new ATOM 0 HD12 LEU A 77 -8.311 6.374 -2.027 1.00 1.27 H new ATOM 0 HD13 LEU A 77 -6.779 7.259 -1.831 1.00 1.27 H new ATOM 0 HD21 LEU A 77 -5.418 5.043 -0.134 1.00 1.31 H new ATOM 0 HD22 LEU A 77 -5.328 6.794 0.169 1.00 1.31 H new ATOM 0 HD23 LEU A 77 -5.912 5.699 1.445 1.00 1.31 H new ATOM 1050 N ARG A 78 -9.991 8.781 2.629 1.00 1.05 N ATOM 1051 CA ARG A 78 -10.479 9.938 3.407 1.00 1.12 C ATOM 1052 C ARG A 78 -10.513 9.650 4.907 1.00 1.16 C ATOM 1053 O ARG A 78 -10.171 10.529 5.695 1.00 1.30 O ATOM 1054 CB ARG A 78 -11.868 10.405 2.939 1.00 1.08 C ATOM 1055 CG ARG A 78 -11.829 11.086 1.567 1.00 1.20 C ATOM 1056 CD ARG A 78 -13.221 11.476 1.065 1.00 1.37 C ATOM 1057 NE ARG A 78 -13.138 12.101 -0.265 1.00 2.27 N ATOM 1058 CZ ARG A 78 -12.920 13.375 -0.538 1.00 2.96 C ATOM 1059 NH1 ARG A 78 -12.688 14.280 0.373 1.00 3.41 N ATOM 1060 NH2 ARG A 78 -12.914 13.795 -1.764 1.00 4.15 N ATOM 0 H ARG A 78 -10.712 8.358 2.045 1.00 1.05 H new ATOM 0 HA ARG A 78 -9.764 10.741 3.226 1.00 1.12 H new ATOM 0 HB2 ARG A 78 -12.540 9.548 2.896 1.00 1.08 H new ATOM 0 HB3 ARG A 78 -12.281 11.097 3.673 1.00 1.08 H new ATOM 0 HG2 ARG A 78 -11.205 11.978 1.625 1.00 1.20 H new ATOM 0 HG3 ARG A 78 -11.361 10.416 0.846 1.00 1.20 H new ATOM 0 HD2 ARG A 78 -13.857 10.592 1.018 1.00 1.37 H new ATOM 0 HD3 ARG A 78 -13.687 12.166 1.768 1.00 1.37 H new ATOM 0 HE ARG A 78 -13.263 11.481 -1.065 1.00 2.27 H new ATOM 0 HH11 ARG A 78 -12.668 14.018 1.359 1.00 3.41 H new ATOM 0 HH12 ARG A 78 -12.527 15.249 0.099 1.00 3.41 H new ATOM 0 HH21 ARG A 78 -13.079 13.140 -2.528 1.00 4.15 H new ATOM 0 HH22 ARG A 78 -12.745 14.781 -1.965 1.00 4.15 H new ATOM 1074 N ALA A 79 -10.842 8.421 5.304 1.00 1.08 N ATOM 1075 CA ALA A 79 -10.817 7.989 6.703 1.00 1.17 C ATOM 1076 C ALA A 79 -9.396 7.880 7.277 1.00 1.27 C ATOM 1077 O ALA A 79 -9.192 8.143 8.467 1.00 1.44 O ATOM 1078 CB ALA A 79 -11.551 6.656 6.829 1.00 1.20 C ATOM 0 H ALA A 79 -11.137 7.689 4.657 1.00 1.08 H new ATOM 0 HA ALA A 79 -11.321 8.755 7.292 1.00 1.17 H new ATOM 0 HB1 ALA A 79 -11.536 6.329 7.869 1.00 1.20 H new ATOM 0 HB2 ALA A 79 -12.584 6.777 6.502 1.00 1.20 H new ATOM 0 HB3 ALA A 79 -11.058 5.909 6.207 1.00 1.20 H new ATOM 1084 N VAL A 80 -8.403 7.549 6.446 1.00 1.23 N ATOM 1085 CA VAL A 80 -6.979 7.701 6.785 1.00 1.41 C ATOM 1086 C VAL A 80 -6.601 9.188 6.762 1.00 1.59 C ATOM 1087 O VAL A 80 -5.890 9.663 7.647 1.00 1.79 O ATOM 1088 CB VAL A 80 -6.111 6.873 5.815 1.00 1.34 C ATOM 1089 CG1 VAL A 80 -4.617 6.994 6.123 1.00 1.61 C ATOM 1090 CG2 VAL A 80 -6.455 5.381 5.894 1.00 1.14 C ATOM 0 H VAL A 80 -8.562 7.166 5.514 1.00 1.23 H new ATOM 0 HA VAL A 80 -6.797 7.322 7.791 1.00 1.41 H new ATOM 0 HB VAL A 80 -6.324 7.275 4.824 1.00 1.34 H new ATOM 0 HG11 VAL A 80 -4.049 6.393 5.413 1.00 1.61 H new ATOM 0 HG12 VAL A 80 -4.312 8.037 6.041 1.00 1.61 H new ATOM 0 HG13 VAL A 80 -4.424 6.638 7.135 1.00 1.61 H new ATOM 0 HG21 VAL A 80 -5.826 4.825 5.199 1.00 1.14 H new ATOM 0 HG22 VAL A 80 -6.281 5.021 6.908 1.00 1.14 H new ATOM 0 HG23 VAL A 80 -7.503 5.235 5.632 1.00 1.14 H new ATOM 1100 N GLY A 81 -7.094 9.931 5.769 1.00 1.54 N ATOM 1101 CA GLY A 81 -6.864 11.363 5.548 1.00 1.73 C ATOM 1102 C GLY A 81 -5.496 11.671 4.929 1.00 1.93 C ATOM 1103 O GLY A 81 -5.159 12.835 4.715 1.00 2.18 O ATOM 0 H GLY A 81 -7.700 9.527 5.055 1.00 1.54 H new ATOM 0 HA2 GLY A 81 -7.646 11.753 4.896 1.00 1.73 H new ATOM 0 HA3 GLY A 81 -6.951 11.888 6.499 1.00 1.73 H new ATOM 1107 N ASN A 82 -4.733 10.613 4.647 1.00 1.85 N ATOM 1108 CA ASN A 82 -3.339 10.580 4.221 1.00 1.90 C ATOM 1109 C ASN A 82 -3.089 9.267 3.431 1.00 1.77 C ATOM 1110 O ASN A 82 -4.017 8.481 3.216 1.00 1.77 O ATOM 1111 CB ASN A 82 -2.484 10.703 5.504 1.00 1.91 C ATOM 1112 CG ASN A 82 -0.982 10.747 5.286 1.00 1.96 C ATOM 1113 OD1 ASN A 82 -0.476 11.181 4.255 1.00 2.61 O ATOM 1114 ND2 ASN A 82 -0.230 10.250 6.235 1.00 1.80 N ATOM 0 H ASN A 82 -5.115 9.670 4.719 1.00 1.85 H new ATOM 0 HA ASN A 82 -3.073 11.396 3.549 1.00 1.90 H new ATOM 0 HB2 ASN A 82 -2.783 11.607 6.034 1.00 1.91 H new ATOM 0 HB3 ASN A 82 -2.715 9.860 6.156 1.00 1.91 H new ATOM 0 HD21 ASN A 82 0.783 10.222 6.121 1.00 1.80 H new ATOM 0 HD22 ASN A 82 -0.657 9.891 7.089 1.00 1.80 H new ATOM 1121 N MET A 83 -1.856 9.001 3.000 1.00 1.73 N ATOM 1122 CA MET A 83 -1.444 7.760 2.351 1.00 1.67 C ATOM 1123 C MET A 83 -1.288 6.651 3.410 1.00 1.60 C ATOM 1124 O MET A 83 -0.497 6.835 4.341 1.00 1.70 O ATOM 1125 CB MET A 83 -0.130 8.042 1.602 1.00 1.82 C ATOM 1126 CG MET A 83 0.106 7.110 0.412 1.00 1.86 C ATOM 1127 SD MET A 83 -0.692 7.614 -1.143 1.00 1.81 S ATOM 1128 CE MET A 83 -2.308 6.808 -1.017 1.00 1.70 C ATOM 0 H MET A 83 -1.091 9.668 3.097 1.00 1.73 H new ATOM 0 HA MET A 83 -2.190 7.412 1.636 1.00 1.67 H new ATOM 0 HB2 MET A 83 -0.136 9.074 1.250 1.00 1.82 H new ATOM 0 HB3 MET A 83 0.703 7.948 2.298 1.00 1.82 H new ATOM 0 HG2 MET A 83 1.180 7.031 0.241 1.00 1.86 H new ATOM 0 HG3 MET A 83 -0.248 6.114 0.676 1.00 1.86 H new ATOM 0 HE1 MET A 83 -2.775 6.774 -2.001 1.00 1.70 H new ATOM 0 HE2 MET A 83 -2.180 5.793 -0.641 1.00 1.70 H new ATOM 0 HE3 MET A 83 -2.943 7.371 -0.333 1.00 1.70 H new ATOM 1138 N PRO A 84 -1.969 5.491 3.297 1.00 1.45 N ATOM 1139 CA PRO A 84 -1.870 4.427 4.297 1.00 1.38 C ATOM 1140 C PRO A 84 -0.532 3.682 4.250 1.00 1.39 C ATOM 1141 O PRO A 84 -0.256 2.854 5.119 1.00 1.35 O ATOM 1142 CB PRO A 84 -3.059 3.497 4.029 1.00 1.31 C ATOM 1143 CG PRO A 84 -3.406 3.697 2.552 1.00 1.32 C ATOM 1144 CD PRO A 84 -2.894 5.112 2.239 1.00 1.41 C ATOM 0 HA PRO A 84 -1.904 4.842 5.304 1.00 1.38 H new ATOM 0 HB2 PRO A 84 -2.800 2.458 4.235 1.00 1.31 H new ATOM 0 HB3 PRO A 84 -3.905 3.747 4.669 1.00 1.31 H new ATOM 0 HG2 PRO A 84 -2.922 2.949 1.923 1.00 1.32 H new ATOM 0 HG3 PRO A 84 -4.479 3.613 2.379 1.00 1.32 H new ATOM 0 HD2 PRO A 84 -2.396 5.133 1.270 1.00 1.41 H new ATOM 0 HD3 PRO A 84 -3.724 5.816 2.186 1.00 1.41 H new ATOM 1152 N TYR A 85 0.293 3.979 3.243 1.00 1.52 N ATOM 1153 CA TYR A 85 1.548 3.271 2.960 1.00 1.69 C ATOM 1154 C TYR A 85 2.631 3.588 4.010 1.00 1.81 C ATOM 1155 O TYR A 85 3.117 2.687 4.728 1.00 3.05 O ATOM 1156 CB TYR A 85 2.016 3.634 1.539 1.00 1.62 C ATOM 1157 CG TYR A 85 1.039 3.657 0.366 1.00 1.60 C ATOM 1158 CD1 TYR A 85 -0.228 3.030 0.388 1.00 2.27 C ATOM 1159 CD2 TYR A 85 1.440 4.361 -0.787 1.00 2.77 C ATOM 1160 CE1 TYR A 85 -1.090 3.128 -0.729 1.00 2.35 C ATOM 1161 CE2 TYR A 85 0.597 4.439 -1.909 1.00 2.90 C ATOM 1162 CZ TYR A 85 -0.662 3.809 -1.893 1.00 1.91 C ATOM 1163 OH TYR A 85 -1.444 3.866 -3.004 1.00 2.17 O ATOM 0 H TYR A 85 0.104 4.736 2.585 1.00 1.52 H new ATOM 0 HA TYR A 85 1.371 2.197 3.017 1.00 1.69 H new ATOM 0 HB2 TYR A 85 2.468 4.624 1.596 1.00 1.62 H new ATOM 0 HB3 TYR A 85 2.811 2.935 1.278 1.00 1.62 H new ATOM 0 HD1 TYR A 85 -0.539 2.474 1.261 1.00 2.27 H new ATOM 0 HD2 TYR A 85 2.405 4.846 -0.809 1.00 2.77 H new ATOM 0 HE1 TYR A 85 -2.074 2.684 -0.693 1.00 2.35 H new ATOM 0 HE2 TYR A 85 0.916 4.984 -2.786 1.00 2.90 H new ATOM 0 HH TYR A 85 -0.984 4.377 -3.702 1.00 2.17 H new