USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 491 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 49 THR OG1 : rot 96:sc= 1.32 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.11 K(o=2.4,f=-2.1) USER MOD Single : A 1 LYS N :NH3+ -153:sc= 1.1 (180deg=0.615) USER MOD Single : A 1 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.595) USER MOD Single : A 4 TYR OH : rot 20:sc= 1.19 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= 0.395 (180deg=0) USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0779 USER MOD Single : A 34 TYR OH : rot 30:sc=-0.00107 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0.429 K(o=0.43,f=-2.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.71) USER MOD Single : A 62 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.356 31.315 30.255 1.00 0.00 N ATOM 2 CA LYS A 1 13.341 32.018 31.110 1.00 0.00 C ATOM 3 C LYS A 1 14.457 32.638 30.268 1.00 0.00 C ATOM 4 O LYS A 1 14.779 32.120 29.200 1.00 0.00 O ATOM 5 CB LYS A 1 13.864 31.064 32.197 1.00 0.00 C ATOM 6 CG LYS A 1 14.507 31.778 33.396 1.00 0.00 C ATOM 7 CD LYS A 1 14.787 30.767 34.516 1.00 0.00 C ATOM 8 CE LYS A 1 15.388 31.463 35.736 1.00 0.00 C ATOM 9 NZ LYS A 1 15.714 30.497 36.808 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.430 31.306 30.728 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.274 31.807 29.343 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.672 30.337 30.094 1.00 0.00 H new ATOM 0 HA LYS A 1 12.852 32.850 31.618 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.038 30.448 32.554 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.596 30.390 31.753 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.435 32.260 33.089 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.845 32.564 33.760 1.00 0.00 H new ATOM 0 HD2 LYS A 1 13.862 30.264 34.798 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.471 29.999 34.156 1.00 0.00 H new ATOM 0 HE2 LYS A 1 16.290 31.999 35.442 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.685 32.205 36.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 15.578 30.948 37.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.090 29.669 36.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.704 30.194 36.713 1.00 0.00 H new ATOM 25 N GLU A 2 15.052 33.743 30.718 1.00 0.00 N ATOM 26 CA GLU A 2 16.096 34.489 29.995 1.00 0.00 C ATOM 27 C GLU A 2 17.415 34.597 30.784 1.00 0.00 C ATOM 28 O GLU A 2 17.419 34.569 32.019 1.00 0.00 O ATOM 29 CB GLU A 2 15.597 35.893 29.611 1.00 0.00 C ATOM 30 CG GLU A 2 14.312 35.939 28.766 1.00 0.00 C ATOM 31 CD GLU A 2 13.070 36.303 29.585 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.745 37.511 29.688 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.390 35.377 30.092 1.00 0.00 O1- ATOM 0 H GLU A 2 14.819 34.160 31.619 1.00 0.00 H new ATOM 0 HA GLU A 2 16.308 33.918 29.091 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.428 36.461 30.526 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.389 36.402 29.062 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.437 36.666 27.964 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.158 34.968 28.295 1.00 0.00 H new ATOM 40 N GLY A 3 18.546 34.733 30.086 1.00 0.00 N ATOM 41 CA GLY A 3 19.874 34.883 30.698 1.00 0.00 C ATOM 42 C GLY A 3 21.024 34.846 29.686 1.00 0.00 C ATOM 43 O GLY A 3 20.835 34.432 28.544 1.00 0.00 O ATOM 0 H GLY A 3 18.568 34.742 29.066 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.910 35.827 31.241 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.019 34.088 31.430 1.00 0.00 H new ATOM 47 N TYR A 4 22.225 35.292 30.069 1.00 0.00 N ATOM 48 CA TYR A 4 23.366 35.349 29.138 1.00 0.00 C ATOM 49 C TYR A 4 23.925 33.963 28.763 1.00 0.00 C ATOM 50 O TYR A 4 23.902 33.024 29.562 1.00 0.00 O ATOM 51 CB TYR A 4 24.466 36.291 29.647 1.00 0.00 C ATOM 52 CG TYR A 4 24.985 35.997 31.041 1.00 0.00 C ATOM 53 CD1 TYR A 4 24.541 36.777 32.123 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.914 34.961 31.257 1.00 0.00 C ATOM 55 CE1 TYR A 4 25.007 36.517 33.422 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.388 34.700 32.557 1.00 0.00 C ATOM 57 CZ TYR A 4 25.932 35.473 33.645 1.00 0.00 C ATOM 58 OH TYR A 4 26.382 35.210 34.897 1.00 0.00 O ATOM 0 H TYR A 4 22.436 35.618 31.012 1.00 0.00 H new ATOM 0 HA TYR A 4 22.973 35.767 28.211 1.00 0.00 H new ATOM 0 HB2 TYR A 4 25.304 36.252 28.951 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.083 37.311 29.629 1.00 0.00 H new ATOM 0 HD1 TYR A 4 23.838 37.580 31.955 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.263 34.367 30.426 1.00 0.00 H new ATOM 0 HE1 TYR A 4 24.658 37.115 34.251 1.00 0.00 H new ATOM 0 HE2 TYR A 4 27.102 33.906 32.721 1.00 0.00 H new ATOM 0 HH TYR A 4 25.762 35.590 35.554 1.00 0.00 H new ATOM 68 N LEU A 5 24.451 33.844 27.541 1.00 0.00 N ATOM 69 CA LEU A 5 25.103 32.634 27.032 1.00 0.00 C ATOM 70 C LEU A 5 26.521 32.472 27.597 1.00 0.00 C ATOM 71 O LEU A 5 27.343 33.388 27.496 1.00 0.00 O ATOM 72 CB LEU A 5 25.129 32.692 25.496 1.00 0.00 C ATOM 73 CG LEU A 5 25.757 31.459 24.817 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.055 30.164 25.211 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.685 31.631 23.300 1.00 0.00 C ATOM 0 H LEU A 5 24.435 34.605 26.862 1.00 0.00 H new ATOM 0 HA LEU A 5 24.533 31.764 27.358 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.108 32.810 25.133 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.681 33.580 25.188 1.00 0.00 H new ATOM 0 HG LEU A 5 26.793 31.387 25.149 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.533 29.323 24.708 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.123 30.027 26.290 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.007 30.215 24.917 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.128 30.762 22.814 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.643 31.727 22.994 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.232 32.528 23.009 1.00 0.00 H new ATOM 87 N VAL A 6 26.830 31.290 28.139 1.00 0.00 N ATOM 88 CA VAL A 6 28.121 31.015 28.783 1.00 0.00 C ATOM 89 C VAL A 6 28.556 29.552 28.659 1.00 0.00 C ATOM 90 O VAL A 6 27.765 28.620 28.817 1.00 0.00 O ATOM 91 CB VAL A 6 28.098 31.517 30.241 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.005 30.873 31.105 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.448 31.334 30.933 1.00 0.00 C ATOM 0 H VAL A 6 26.192 30.494 28.144 1.00 0.00 H new ATOM 0 HA VAL A 6 28.889 31.572 28.247 1.00 0.00 H new ATOM 0 HB VAL A 6 27.869 32.579 30.155 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.054 31.278 32.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.027 31.089 30.675 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.156 29.794 31.139 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.385 31.701 31.957 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.712 30.276 30.942 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.212 31.894 30.394 1.00 0.00 H new ATOM 103 N ASP A 7 29.841 29.347 28.374 1.00 0.00 N ATOM 104 CA ASP A 7 30.530 28.056 28.451 1.00 0.00 C ATOM 105 C ASP A 7 31.349 28.018 29.748 1.00 0.00 C ATOM 106 O ASP A 7 32.072 28.959 30.077 1.00 0.00 O ATOM 107 CB ASP A 7 31.374 27.831 27.190 1.00 0.00 C ATOM 108 CG ASP A 7 32.297 26.610 27.214 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.306 26.637 26.480 1.00 0.00 O ATOM 110 OD2 ASP A 7 31.996 25.610 27.917 1.00 0.00 O1- ATOM 0 H ASP A 7 30.456 30.103 28.072 1.00 0.00 H new ATOM 0 HA ASP A 7 29.817 27.232 28.485 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.701 27.737 26.338 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.982 28.719 27.020 1.00 0.00 H new ATOM 115 N TYR A 8 31.214 26.940 30.518 1.00 0.00 N ATOM 116 CA TYR A 8 31.811 26.845 31.861 1.00 0.00 C ATOM 117 C TYR A 8 33.348 26.739 31.858 1.00 0.00 C ATOM 118 O TYR A 8 33.982 27.153 32.830 1.00 0.00 O ATOM 119 CB TYR A 8 31.147 25.730 32.679 1.00 0.00 C ATOM 120 CG TYR A 8 31.222 24.321 32.112 1.00 0.00 C ATOM 121 CD1 TYR A 8 32.345 23.504 32.363 1.00 0.00 C ATOM 122 CD2 TYR A 8 30.134 23.801 31.383 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.378 22.180 31.881 1.00 0.00 C ATOM 124 CE2 TYR A 8 30.165 22.479 30.898 1.00 0.00 C ATOM 125 CZ TYR A 8 31.287 21.662 31.147 1.00 0.00 C ATOM 126 OH TYR A 8 31.314 20.380 30.686 1.00 0.00 O ATOM 0 H TYR A 8 30.693 26.110 30.237 1.00 0.00 H new ATOM 0 HA TYR A 8 31.604 27.794 32.355 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.600 25.721 33.670 1.00 0.00 H new ATOM 0 HB3 TYR A 8 30.096 25.987 32.811 1.00 0.00 H new ATOM 0 HD1 TYR A 8 33.181 23.894 32.925 1.00 0.00 H new ATOM 0 HD2 TYR A 8 29.270 24.421 31.195 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.240 21.559 32.073 1.00 0.00 H new ATOM 0 HE2 TYR A 8 29.329 22.091 30.335 1.00 0.00 H new ATOM 0 HH TYR A 8 30.483 20.188 30.203 1.00 0.00 H new ATOM 136 N HIS A 9 33.956 26.234 30.775 1.00 0.00 N ATOM 137 CA HIS A 9 35.417 26.064 30.659 1.00 0.00 C ATOM 138 C HIS A 9 36.195 27.373 30.420 1.00 0.00 C ATOM 139 O HIS A 9 37.353 27.483 30.824 1.00 0.00 O ATOM 140 CB HIS A 9 35.697 25.039 29.549 1.00 0.00 C ATOM 141 CG HIS A 9 37.166 24.867 29.244 1.00 0.00 C ATOM 142 ND1 HIS A 9 38.127 24.340 30.116 1.00 0.00 N ATOM 143 CD2 HIS A 9 37.778 25.236 28.083 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.298 24.425 29.460 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.115 24.949 28.238 1.00 0.00 N ATOM 0 H HIS A 9 33.446 25.929 29.946 1.00 0.00 H new ATOM 0 HA HIS A 9 35.782 25.706 31.621 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.280 24.076 29.842 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.179 25.348 28.641 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.306 25.668 27.213 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.252 24.115 29.860 1.00 0.00 H new ATOM 0 HE2 HIS A 9 39.844 25.108 27.542 1.00 0.00 H new ATOM 153 N THR A 10 35.591 28.375 29.780 1.00 0.00 N ATOM 154 CA THR A 10 36.214 29.693 29.537 1.00 0.00 C ATOM 155 C THR A 10 35.932 30.668 30.686 1.00 0.00 C ATOM 156 O THR A 10 34.903 30.578 31.353 1.00 0.00 O ATOM 157 CB THR A 10 35.775 30.267 28.178 1.00 0.00 C ATOM 158 OG1 THR A 10 36.296 31.561 27.978 1.00 0.00 O ATOM 159 CG2 THR A 10 34.262 30.378 28.025 1.00 0.00 C ATOM 0 H THR A 10 34.644 28.301 29.408 1.00 0.00 H new ATOM 0 HA THR A 10 37.294 29.551 29.499 1.00 0.00 H new ATOM 0 HB THR A 10 36.161 29.559 27.444 1.00 0.00 H new ATOM 0 HG1 THR A 10 36.003 31.901 27.107 1.00 0.00 H new ATOM 0 HG21 THR A 10 34.025 30.790 27.044 1.00 0.00 H new ATOM 0 HG22 THR A 10 33.813 29.389 28.122 1.00 0.00 H new ATOM 0 HG23 THR A 10 33.865 31.034 28.800 1.00 0.00 H new ATOM 167 N GLY A 11 36.828 31.627 30.932 1.00 0.00 N ATOM 168 CA GLY A 11 36.690 32.606 32.013 1.00 0.00 C ATOM 169 C GLY A 11 35.491 33.563 31.919 1.00 0.00 C ATOM 170 O GLY A 11 35.096 34.087 32.960 1.00 0.00 O ATOM 0 H GLY A 11 37.678 31.747 30.381 1.00 0.00 H new ATOM 0 HA2 GLY A 11 36.622 32.065 32.957 1.00 0.00 H new ATOM 0 HA3 GLY A 11 37.601 33.203 32.052 1.00 0.00 H new ATOM 174 N CYS A 12 34.904 33.788 30.733 1.00 0.00 N ATOM 175 CA CYS A 12 33.886 34.826 30.484 1.00 0.00 C ATOM 176 C CYS A 12 32.771 34.365 29.517 1.00 0.00 C ATOM 177 O CYS A 12 32.988 33.463 28.706 1.00 0.00 O ATOM 178 CB CYS A 12 34.566 36.073 29.890 1.00 0.00 C ATOM 179 SG CYS A 12 35.873 36.875 30.860 1.00 0.00 S ATOM 0 H CYS A 12 35.128 33.242 29.901 1.00 0.00 H new ATOM 0 HA CYS A 12 33.418 35.045 31.444 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.990 35.794 28.925 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.791 36.815 29.696 1.00 0.00 H new ATOM 0 HG CYS A 12 36.330 37.902 30.207 1.00 0.00 H new ATOM 184 N LYS A 13 31.602 35.025 29.540 1.00 0.00 N ATOM 185 CA LYS A 13 30.450 34.833 28.639 1.00 0.00 C ATOM 186 C LYS A 13 30.719 35.154 27.155 1.00 0.00 C ATOM 187 O LYS A 13 31.734 35.769 26.807 1.00 0.00 O ATOM 188 CB LYS A 13 29.300 35.672 29.220 1.00 0.00 C ATOM 189 CG LYS A 13 29.656 37.169 29.346 1.00 0.00 C ATOM 190 CD LYS A 13 28.581 37.950 30.095 1.00 0.00 C ATOM 191 CE LYS A 13 28.388 37.547 31.565 1.00 0.00 C ATOM 192 NZ LYS A 13 27.579 38.548 32.301 1.00 0.00 N1+ ATOM 0 H LYS A 13 31.423 35.753 30.231 1.00 0.00 H new ATOM 0 HA LYS A 13 30.201 33.772 28.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.421 35.565 28.585 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.033 35.283 30.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 30.608 37.273 29.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.788 37.595 28.352 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.830 39.010 30.055 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.633 37.825 29.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.899 36.574 31.615 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.361 37.440 32.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.104 38.871 33.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.383 39.359 31.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.682 38.116 32.601 1.00 0.00 H new ATOM 206 N TYR A 14 29.804 34.744 26.272 1.00 0.00 N ATOM 207 CA TYR A 14 29.884 34.929 24.809 1.00 0.00 C ATOM 208 C TYR A 14 29.606 36.381 24.364 1.00 0.00 C ATOM 209 O TYR A 14 28.510 36.901 24.583 1.00 0.00 O ATOM 210 CB TYR A 14 28.899 33.972 24.122 1.00 0.00 C ATOM 211 CG TYR A 14 29.427 32.559 23.962 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.957 32.157 22.720 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.417 31.657 25.044 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.468 30.858 22.560 1.00 0.00 C ATOM 215 CE2 TYR A 14 29.920 30.349 24.887 1.00 0.00 C ATOM 216 CZ TYR A 14 30.443 29.946 23.638 1.00 0.00 C ATOM 217 OH TYR A 14 30.931 28.689 23.469 1.00 0.00 O ATOM 0 H TYR A 14 28.955 34.257 26.560 1.00 0.00 H new ATOM 0 HA TYR A 14 30.908 34.704 24.511 1.00 0.00 H new ATOM 0 HB2 TYR A 14 27.975 33.941 24.699 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.647 34.369 23.139 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.970 32.848 21.890 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.022 31.969 25.999 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.881 30.556 21.609 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.905 29.659 25.717 1.00 0.00 H new ATOM 0 HH TYR A 14 31.287 28.359 24.320 1.00 0.00 H new ATOM 227 N THR A 15 30.574 37.020 23.697 1.00 0.00 N ATOM 228 CA THR A 15 30.426 38.366 23.098 1.00 0.00 C ATOM 229 C THR A 15 29.603 38.363 21.802 1.00 0.00 C ATOM 230 O THR A 15 29.420 37.327 21.163 1.00 0.00 O ATOM 231 CB THR A 15 31.788 39.041 22.839 1.00 0.00 C ATOM 232 OG1 THR A 15 32.611 38.269 21.990 1.00 0.00 O ATOM 233 CG2 THR A 15 32.555 39.280 24.134 1.00 0.00 C ATOM 0 H THR A 15 31.499 36.616 23.552 1.00 0.00 H new ATOM 0 HA THR A 15 29.879 38.945 23.842 1.00 0.00 H new ATOM 0 HB THR A 15 31.555 39.992 22.360 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.463 38.733 21.850 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.509 39.757 23.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.971 39.927 24.789 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.734 38.327 24.632 1.00 0.00 H new ATOM 241 N CYS A 16 29.103 39.538 21.404 1.00 0.00 N ATOM 242 CA CYS A 16 28.371 39.755 20.151 1.00 0.00 C ATOM 243 C CYS A 16 28.418 41.228 19.707 1.00 0.00 C ATOM 244 O CYS A 16 28.928 42.082 20.434 1.00 0.00 O ATOM 245 CB CYS A 16 26.932 39.259 20.330 1.00 0.00 C ATOM 246 SG CYS A 16 25.951 40.129 21.582 1.00 0.00 S ATOM 0 H CYS A 16 29.199 40.388 21.960 1.00 0.00 H new ATOM 0 HA CYS A 16 28.850 39.187 19.353 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.418 39.339 19.372 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.961 38.201 20.589 1.00 0.00 H new ATOM 251 N ALA A 17 27.915 41.519 18.504 1.00 0.00 N ATOM 252 CA ALA A 17 27.959 42.852 17.890 1.00 0.00 C ATOM 253 C ALA A 17 26.769 43.755 18.298 1.00 0.00 C ATOM 254 O ALA A 17 26.597 44.067 19.479 1.00 0.00 O ATOM 255 CB ALA A 17 28.133 42.655 16.377 1.00 0.00 C ATOM 0 H ALA A 17 27.457 40.822 17.917 1.00 0.00 H new ATOM 0 HA ALA A 17 28.812 43.416 18.268 1.00 0.00 H new ATOM 0 HB1 ALA A 17 28.170 43.627 15.885 1.00 0.00 H new ATOM 0 HB2 ALA A 17 29.060 42.116 16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 17 27.292 42.082 15.986 1.00 0.00 H new ATOM 261 N LYS A 18 25.966 44.239 17.339 1.00 0.00 N ATOM 262 CA LYS A 18 24.919 45.250 17.572 1.00 0.00 C ATOM 263 C LYS A 18 23.674 44.671 18.268 1.00 0.00 C ATOM 264 O LYS A 18 23.260 43.548 17.979 1.00 0.00 O ATOM 265 CB LYS A 18 24.519 45.932 16.251 1.00 0.00 C ATOM 266 CG LYS A 18 25.679 46.280 15.308 1.00 0.00 C ATOM 267 CD LYS A 18 26.735 47.211 15.916 1.00 0.00 C ATOM 268 CE LYS A 18 27.751 47.516 14.810 1.00 0.00 C ATOM 269 NZ LYS A 18 28.828 48.429 15.247 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.025 43.937 16.367 1.00 0.00 H new ATOM 0 HA LYS A 18 25.348 45.991 18.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.826 45.279 15.721 1.00 0.00 H new ATOM 0 HB3 LYS A 18 23.977 46.848 16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.165 45.356 14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.274 46.748 14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.275 48.129 16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.223 46.737 16.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.193 46.582 14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.232 47.957 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 29.483 48.597 14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.414 49.333 15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.346 48.000 16.040 1.00 0.00 H new ATOM 283 N LEU A 19 23.030 45.437 19.152 1.00 0.00 N ATOM 284 CA LEU A 19 21.860 44.946 19.878 1.00 0.00 C ATOM 285 C LEU A 19 20.685 44.644 18.930 1.00 0.00 C ATOM 286 O LEU A 19 20.393 45.408 18.002 1.00 0.00 O ATOM 287 CB LEU A 19 21.503 45.847 21.079 1.00 0.00 C ATOM 288 CG LEU A 19 20.764 47.163 20.772 1.00 0.00 C ATOM 289 CD1 LEU A 19 20.189 47.742 22.066 1.00 0.00 C ATOM 290 CD2 LEU A 19 21.660 48.221 20.135 1.00 0.00 C ATOM 0 H LEU A 19 23.298 46.394 19.380 1.00 0.00 H new ATOM 0 HA LEU A 19 22.118 43.985 20.322 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.889 45.266 21.767 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.426 46.092 21.605 1.00 0.00 H new ATOM 0 HG LEU A 19 19.978 46.916 20.058 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.666 48.673 21.847 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.491 47.029 22.505 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.999 47.937 22.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.079 49.123 19.944 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.483 48.456 20.810 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.060 47.841 19.195 1.00 0.00 H new ATOM 302 N GLY A 20 20.030 43.504 19.157 1.00 0.00 N ATOM 303 CA GLY A 20 18.982 42.939 18.298 1.00 0.00 C ATOM 304 C GLY A 20 19.486 42.008 17.185 1.00 0.00 C ATOM 305 O GLY A 20 18.691 41.238 16.644 1.00 0.00 O ATOM 0 H GLY A 20 20.221 42.925 19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.280 42.387 18.923 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.426 43.758 17.842 1.00 0.00 H new ATOM 309 N ASP A 21 20.784 42.003 16.862 1.00 0.00 N ATOM 310 CA ASP A 21 21.392 40.991 15.981 1.00 0.00 C ATOM 311 C ASP A 21 21.347 39.612 16.679 1.00 0.00 C ATOM 312 O ASP A 21 21.783 39.473 17.823 1.00 0.00 O ATOM 313 CB ASP A 21 22.832 41.432 15.665 1.00 0.00 C ATOM 314 CG ASP A 21 23.555 40.565 14.636 1.00 0.00 C ATOM 315 OD1 ASP A 21 24.809 40.599 14.617 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.896 39.826 13.870 1.00 0.00 O1- ATOM 0 H ASP A 21 21.446 42.700 17.203 1.00 0.00 H new ATOM 0 HA ASP A 21 20.843 40.900 15.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.811 42.460 15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.409 41.431 16.590 1.00 0.00 H new ATOM 321 N ASN A 22 20.831 38.567 16.035 1.00 0.00 N ATOM 322 CA ASN A 22 20.525 37.302 16.723 1.00 0.00 C ATOM 323 C ASN A 22 20.934 35.994 16.014 1.00 0.00 C ATOM 324 O ASN A 22 21.032 34.986 16.705 1.00 0.00 O ATOM 325 CB ASN A 22 19.025 37.323 17.082 1.00 0.00 C ATOM 326 CG ASN A 22 18.119 37.529 15.882 1.00 0.00 C ATOM 327 OD1 ASN A 22 17.807 36.611 15.137 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.672 38.736 15.649 1.00 0.00 N ATOM 0 H ASN A 22 20.614 38.565 15.038 1.00 0.00 H new ATOM 0 HA ASN A 22 21.161 37.270 17.607 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.763 36.384 17.569 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.844 38.118 17.805 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.065 38.909 14.848 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.930 39.504 16.269 1.00 0.00 H new ATOM 335 N ASP A 23 21.210 35.952 14.706 1.00 0.00 N ATOM 336 CA ASP A 23 21.550 34.690 14.010 1.00 0.00 C ATOM 337 C ASP A 23 22.795 33.969 14.570 1.00 0.00 C ATOM 338 O ASP A 23 22.836 32.739 14.590 1.00 0.00 O ATOM 339 CB ASP A 23 21.770 34.952 12.514 1.00 0.00 C ATOM 340 CG ASP A 23 20.517 35.340 11.732 1.00 0.00 C ATOM 341 OD1 ASP A 23 20.665 36.020 10.685 1.00 0.00 O ATOM 342 OD2 ASP A 23 19.391 34.920 12.094 1.00 0.00 O1- ATOM 0 H ASP A 23 21.207 36.773 14.101 1.00 0.00 H new ATOM 0 HA ASP A 23 20.698 34.032 14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.508 35.747 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.198 34.056 12.063 1.00 0.00 H new ATOM 347 N TYR A 24 23.807 34.699 15.044 1.00 0.00 N ATOM 348 CA TYR A 24 24.942 34.118 15.772 1.00 0.00 C ATOM 349 C TYR A 24 24.514 33.646 17.172 1.00 0.00 C ATOM 350 O TYR A 24 24.648 32.466 17.495 1.00 0.00 O ATOM 351 CB TYR A 24 26.107 35.125 15.815 1.00 0.00 C ATOM 352 CG TYR A 24 27.361 34.603 16.495 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.733 35.071 17.772 1.00 0.00 C ATOM 354 CD2 TYR A 24 28.159 33.642 15.846 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.883 34.560 18.405 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.304 33.122 16.481 1.00 0.00 C ATOM 357 CZ TYR A 24 29.660 33.566 17.772 1.00 0.00 C ATOM 358 OH TYR A 24 30.736 33.031 18.407 1.00 0.00 O ATOM 0 H TYR A 24 23.865 35.711 14.935 1.00 0.00 H new ATOM 0 HA TYR A 24 25.294 33.232 15.244 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.356 35.418 14.795 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.775 36.025 16.333 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.135 35.823 18.266 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.892 33.302 14.856 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.171 34.930 19.378 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.910 32.382 15.979 1.00 0.00 H new ATOM 0 HH TYR A 24 31.157 32.360 17.829 1.00 0.00 H new ATOM 368 N CYS A 25 23.925 34.535 17.986 1.00 0.00 N ATOM 369 CA CYS A 25 23.543 34.218 19.367 1.00 0.00 C ATOM 370 C CYS A 25 22.528 33.067 19.497 1.00 0.00 C ATOM 371 O CYS A 25 22.665 32.246 20.400 1.00 0.00 O ATOM 372 CB CYS A 25 22.988 35.473 20.055 1.00 0.00 C ATOM 373 SG CYS A 25 24.178 36.810 20.338 1.00 0.00 S ATOM 0 H CYS A 25 23.702 35.490 17.705 1.00 0.00 H new ATOM 0 HA CYS A 25 24.454 33.875 19.857 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.169 35.863 19.451 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.564 35.180 21.016 1.00 0.00 H new ATOM 378 N VAL A 26 21.524 32.979 18.616 1.00 0.00 N ATOM 379 CA VAL A 26 20.515 31.901 18.614 1.00 0.00 C ATOM 380 C VAL A 26 21.176 30.549 18.363 1.00 0.00 C ATOM 381 O VAL A 26 20.981 29.612 19.139 1.00 0.00 O ATOM 382 CB VAL A 26 19.426 32.173 17.552 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.515 30.965 17.284 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.528 33.332 17.991 1.00 0.00 C ATOM 0 H VAL A 26 21.384 33.662 17.872 1.00 0.00 H new ATOM 0 HA VAL A 26 20.040 31.878 19.595 1.00 0.00 H new ATOM 0 HB VAL A 26 19.970 32.408 16.637 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.775 31.228 16.528 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.116 30.128 16.928 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.007 30.681 18.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.767 33.510 17.232 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.046 33.081 18.936 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.131 34.231 18.118 1.00 0.00 H new ATOM 394 N ARG A 27 21.984 30.459 17.298 1.00 0.00 N ATOM 395 CA ARG A 27 22.656 29.226 16.878 1.00 0.00 C ATOM 396 C ARG A 27 23.700 28.780 17.897 1.00 0.00 C ATOM 397 O ARG A 27 23.672 27.626 18.311 1.00 0.00 O ATOM 398 CB ARG A 27 23.218 29.425 15.463 1.00 0.00 C ATOM 399 CG ARG A 27 22.083 29.308 14.423 1.00 0.00 C ATOM 400 CD ARG A 27 22.412 29.871 13.034 1.00 0.00 C ATOM 401 NE ARG A 27 23.732 29.446 12.539 1.00 0.00 N ATOM 402 CZ ARG A 27 24.816 30.190 12.448 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.878 31.406 12.915 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 25.882 29.710 11.887 1.00 0.00 N ATOM 0 H ARG A 27 22.191 31.255 16.695 1.00 0.00 H new ATOM 0 HA ARG A 27 21.940 28.405 16.838 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.694 30.403 15.386 1.00 0.00 H new ATOM 0 HB3 ARG A 27 23.987 28.679 15.260 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.815 28.257 14.318 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.204 29.824 14.808 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.645 29.552 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.378 30.960 13.072 1.00 0.00 H new ATOM 0 HE ARG A 27 23.816 28.476 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.065 31.818 13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.739 31.945 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.880 28.759 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 27 26.723 30.283 11.815 1.00 0.00 H new ATOM 418 N GLU A 28 24.536 29.685 18.407 1.00 0.00 N ATOM 419 CA GLU A 28 25.464 29.347 19.493 1.00 0.00 C ATOM 420 C GLU A 28 24.746 28.944 20.788 1.00 0.00 C ATOM 421 O GLU A 28 25.182 27.986 21.426 1.00 0.00 O ATOM 422 CB GLU A 28 26.424 30.510 19.776 1.00 0.00 C ATOM 423 CG GLU A 28 27.440 30.768 18.656 1.00 0.00 C ATOM 424 CD GLU A 28 28.331 29.561 18.331 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.664 28.755 19.246 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.725 29.408 17.151 1.00 0.00 O1- ATOM 0 H GLU A 28 24.592 30.653 18.090 1.00 0.00 H new ATOM 0 HA GLU A 28 26.030 28.481 19.149 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.841 31.417 19.940 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.963 30.306 20.701 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.904 31.064 17.754 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.074 31.608 18.941 1.00 0.00 H new ATOM 433 N CYS A 29 23.642 29.604 21.169 1.00 0.00 N ATOM 434 CA CYS A 29 22.902 29.263 22.389 1.00 0.00 C ATOM 435 C CYS A 29 22.298 27.854 22.313 1.00 0.00 C ATOM 436 O CYS A 29 22.480 27.045 23.224 1.00 0.00 O ATOM 437 CB CYS A 29 21.840 30.336 22.693 1.00 0.00 C ATOM 438 SG CYS A 29 21.012 30.126 24.296 1.00 0.00 S ATOM 0 H CYS A 29 23.242 30.382 20.644 1.00 0.00 H new ATOM 0 HA CYS A 29 23.606 29.249 23.221 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.313 31.318 22.666 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.089 30.322 21.903 1.00 0.00 H new ATOM 443 N ARG A 30 21.648 27.523 21.190 1.00 0.00 N ATOM 444 CA ARG A 30 21.009 26.216 20.954 1.00 0.00 C ATOM 445 C ARG A 30 21.985 25.077 20.598 1.00 0.00 C ATOM 446 O ARG A 30 21.575 23.922 20.499 1.00 0.00 O ATOM 447 CB ARG A 30 19.854 26.425 19.961 1.00 0.00 C ATOM 448 CG ARG A 30 20.272 26.428 18.486 1.00 0.00 C ATOM 449 CD ARG A 30 19.129 26.913 17.583 1.00 0.00 C ATOM 450 NE ARG A 30 18.013 25.944 17.536 1.00 0.00 N ATOM 451 CZ ARG A 30 17.562 25.298 16.477 1.00 0.00 C ATOM 452 NH1 ARG A 30 17.960 25.537 15.266 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 16.664 24.371 16.590 1.00 0.00 N ATOM 0 H ARG A 30 21.548 28.165 20.404 1.00 0.00 H new ATOM 0 HA ARG A 30 20.596 25.844 21.892 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.114 25.639 20.114 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.364 27.372 20.188 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.141 27.072 18.354 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.572 25.423 18.189 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.761 27.872 17.947 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.508 27.079 16.575 1.00 0.00 H new ATOM 0 HE ARG A 30 17.540 25.754 18.419 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.660 26.259 15.092 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.573 25.003 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.293 24.129 17.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.328 23.883 15.760 1.00 0.00 H new ATOM 467 N LEU A 31 23.271 25.394 20.412 1.00 0.00 N ATOM 468 CA LEU A 31 24.362 24.412 20.297 1.00 0.00 C ATOM 469 C LEU A 31 25.172 24.264 21.599 1.00 0.00 C ATOM 470 O LEU A 31 25.768 23.206 21.829 1.00 0.00 O ATOM 471 CB LEU A 31 25.258 24.786 19.103 1.00 0.00 C ATOM 472 CG LEU A 31 24.570 24.607 17.736 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.428 25.239 16.641 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.359 23.131 17.386 1.00 0.00 C ATOM 0 H LEU A 31 23.592 26.359 20.335 1.00 0.00 H new ATOM 0 HA LEU A 31 23.920 23.432 20.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.575 25.824 19.208 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.159 24.174 19.130 1.00 0.00 H new ATOM 0 HG LEU A 31 23.596 25.093 17.801 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.938 25.111 15.676 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.554 26.302 16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.405 24.756 16.620 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.871 23.054 16.414 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.323 22.624 17.349 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.732 22.663 18.145 1.00 0.00 H new ATOM 486 N ARG A 32 25.176 25.283 22.471 1.00 0.00 N ATOM 487 CA ARG A 32 25.743 25.217 23.832 1.00 0.00 C ATOM 488 C ARG A 32 24.827 24.457 24.786 1.00 0.00 C ATOM 489 O ARG A 32 25.294 23.591 25.521 1.00 0.00 O ATOM 490 CB ARG A 32 25.986 26.648 24.351 1.00 0.00 C ATOM 491 CG ARG A 32 26.900 26.764 25.582 1.00 0.00 C ATOM 492 CD ARG A 32 28.227 26.003 25.462 1.00 0.00 C ATOM 493 NE ARG A 32 28.895 26.196 24.157 1.00 0.00 N ATOM 494 CZ ARG A 32 29.717 25.341 23.572 1.00 0.00 C ATOM 495 NH1 ARG A 32 30.095 24.235 24.149 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.165 25.574 22.374 1.00 0.00 N ATOM 0 H ARG A 32 24.778 26.195 22.248 1.00 0.00 H new ATOM 0 HA ARG A 32 26.687 24.675 23.786 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.418 27.239 23.544 1.00 0.00 H new ATOM 0 HB3 ARG A 32 25.022 27.096 24.593 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.115 27.817 25.762 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.362 26.395 26.455 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.898 26.328 26.257 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.043 24.940 25.615 1.00 0.00 H new ATOM 0 HE ARG A 32 28.704 27.068 23.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.755 24.005 25.083 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.730 23.599 23.667 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.883 26.420 21.880 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.799 24.910 21.928 1.00 0.00 H new ATOM 510 N TYR A 33 23.540 24.788 24.755 1.00 0.00 N ATOM 511 CA TYR A 33 22.463 24.133 25.496 1.00 0.00 C ATOM 512 C TYR A 33 21.616 23.263 24.545 1.00 0.00 C ATOM 513 O TYR A 33 21.973 23.053 23.384 1.00 0.00 O ATOM 514 CB TYR A 33 21.614 25.222 26.187 1.00 0.00 C ATOM 515 CG TYR A 33 22.343 26.327 26.948 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.769 27.615 26.983 1.00 0.00 C ATOM 517 CD2 TYR A 33 23.567 26.095 27.613 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.428 28.675 27.638 1.00 0.00 C ATOM 519 CE2 TYR A 33 24.238 27.159 28.252 1.00 0.00 C ATOM 520 CZ TYR A 33 23.676 28.454 28.255 1.00 0.00 C ATOM 521 OH TYR A 33 24.325 29.479 28.864 1.00 0.00 O ATOM 0 H TYR A 33 23.200 25.561 24.183 1.00 0.00 H new ATOM 0 HA TYR A 33 22.872 23.469 26.258 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.994 25.695 25.425 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.939 24.726 26.885 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.817 27.790 26.504 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.990 25.102 27.632 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.977 29.656 27.667 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.185 26.982 28.741 1.00 0.00 H new ATOM 0 HH TYR A 33 25.170 29.154 29.239 1.00 0.00 H new ATOM 531 N TYR A 34 20.466 22.788 25.026 1.00 0.00 N ATOM 532 CA TYR A 34 19.437 22.129 24.218 1.00 0.00 C ATOM 533 C TYR A 34 18.986 22.940 22.982 1.00 0.00 C ATOM 534 O TYR A 34 18.868 24.168 23.020 1.00 0.00 O ATOM 535 CB TYR A 34 18.252 21.750 25.126 1.00 0.00 C ATOM 536 CG TYR A 34 17.305 22.833 25.647 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.028 22.433 26.083 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.664 24.196 25.754 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.103 23.373 26.569 1.00 0.00 C ATOM 540 CE2 TYR A 34 16.738 25.145 26.232 1.00 0.00 C ATOM 541 CZ TYR A 34 15.448 24.736 26.625 1.00 0.00 C ATOM 542 OH TYR A 34 14.548 25.655 27.058 1.00 0.00 O ATOM 0 H TYR A 34 20.218 22.852 26.013 1.00 0.00 H new ATOM 0 HA TYR A 34 19.881 21.228 23.796 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.646 21.026 24.582 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.662 21.234 25.994 1.00 0.00 H new ATOM 0 HD1 TYR A 34 15.755 21.389 26.044 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.656 24.513 25.467 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.127 23.049 26.900 1.00 0.00 H new ATOM 0 HE2 TYR A 34 17.017 26.186 26.297 1.00 0.00 H new ATOM 0 HH TYR A 34 13.943 25.240 27.707 1.00 0.00 H new ATOM 552 N GLN A 35 18.678 22.253 21.874 1.00 0.00 N ATOM 553 CA GLN A 35 18.335 22.915 20.607 1.00 0.00 C ATOM 554 C GLN A 35 17.036 23.743 20.637 1.00 0.00 C ATOM 555 O GLN A 35 16.822 24.577 19.755 1.00 0.00 O ATOM 556 CB GLN A 35 18.352 21.917 19.444 1.00 0.00 C ATOM 557 CG GLN A 35 17.188 20.917 19.439 1.00 0.00 C ATOM 558 CD GLN A 35 17.233 20.042 18.194 1.00 0.00 C ATOM 559 OE1 GLN A 35 16.957 20.472 17.081 1.00 0.00 O ATOM 560 NE2 GLN A 35 17.631 18.795 18.305 1.00 0.00 N ATOM 0 H GLN A 35 18.659 21.234 21.829 1.00 0.00 H new ATOM 0 HA GLN A 35 19.120 23.654 20.446 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.340 22.473 18.506 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.290 21.362 19.473 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.236 20.292 20.330 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.241 21.455 19.477 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.866 18.414 19.222 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.705 18.207 17.475 1.00 0.00 H new ATOM 569 N SER A 36 16.190 23.559 21.656 1.00 0.00 N ATOM 570 CA SER A 36 14.988 24.369 21.893 1.00 0.00 C ATOM 571 C SER A 36 15.269 25.813 22.338 1.00 0.00 C ATOM 572 O SER A 36 14.339 26.625 22.361 1.00 0.00 O ATOM 573 CB SER A 36 14.085 23.661 22.909 1.00 0.00 C ATOM 574 OG SER A 36 13.688 22.392 22.406 1.00 0.00 O ATOM 0 H SER A 36 16.324 22.828 22.354 1.00 0.00 H new ATOM 0 HA SER A 36 14.486 24.459 20.930 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.614 23.537 23.854 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.206 24.272 23.114 1.00 0.00 H new ATOM 0 HG SER A 36 13.113 21.946 23.062 1.00 0.00 H new ATOM 580 N ALA A 37 16.515 26.171 22.666 1.00 0.00 N ATOM 581 CA ALA A 37 16.879 27.550 23.017 1.00 0.00 C ATOM 582 C ALA A 37 16.688 28.570 21.863 1.00 0.00 C ATOM 583 O ALA A 37 16.650 28.208 20.682 1.00 0.00 O ATOM 584 CB ALA A 37 18.323 27.557 23.532 1.00 0.00 C ATOM 0 H ALA A 37 17.297 25.517 22.696 1.00 0.00 H new ATOM 0 HA ALA A 37 16.192 27.883 23.795 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.610 28.575 23.797 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.399 26.918 24.411 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.989 27.184 22.754 1.00 0.00 H new ATOM 590 N HIS A 38 16.604 29.860 22.219 1.00 0.00 N ATOM 591 CA HIS A 38 16.595 31.024 21.311 1.00 0.00 C ATOM 592 C HIS A 38 17.279 32.236 21.993 1.00 0.00 C ATOM 593 O HIS A 38 17.849 32.075 23.072 1.00 0.00 O ATOM 594 CB HIS A 38 15.147 31.299 20.862 1.00 0.00 C ATOM 595 CG HIS A 38 15.055 32.011 19.534 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.028 33.395 19.349 1.00 0.00 N ATOM 597 CD2 HIS A 38 15.066 31.404 18.312 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.014 33.589 18.018 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.041 32.410 17.371 1.00 0.00 N ATOM 0 H HIS A 38 16.537 30.138 23.198 1.00 0.00 H new ATOM 0 HA HIS A 38 17.175 30.821 20.411 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.609 30.353 20.797 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.646 31.898 21.622 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.090 30.342 18.120 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.985 34.555 17.537 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.043 32.283 16.359 1.00 0.00 H new ATOM 607 N GLY A 39 17.288 33.438 21.398 1.00 0.00 N ATOM 608 CA GLY A 39 17.957 34.610 21.994 1.00 0.00 C ATOM 609 C GLY A 39 18.163 35.825 21.079 1.00 0.00 C ATOM 610 O GLY A 39 17.601 35.907 19.986 1.00 0.00 O ATOM 0 H GLY A 39 16.839 33.627 20.502 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.376 34.930 22.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 18.932 34.294 22.364 1.00 0.00 H new ATOM 614 N TYR A 40 18.980 36.779 21.540 1.00 0.00 N ATOM 615 CA TYR A 40 19.459 37.953 20.789 1.00 0.00 C ATOM 616 C TYR A 40 20.739 38.555 21.404 1.00 0.00 C ATOM 617 O TYR A 40 21.168 38.173 22.493 1.00 0.00 O ATOM 618 CB TYR A 40 18.350 39.020 20.662 1.00 0.00 C ATOM 619 CG TYR A 40 17.822 39.616 21.962 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.163 40.933 22.326 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.954 38.878 22.793 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.682 41.496 23.523 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.468 39.440 23.990 1.00 0.00 C ATOM 624 CZ TYR A 40 16.838 40.745 24.367 1.00 0.00 C ATOM 625 OH TYR A 40 16.338 41.270 25.515 1.00 0.00 O ATOM 0 H TYR A 40 19.345 36.755 22.492 1.00 0.00 H new ATOM 0 HA TYR A 40 19.718 37.608 19.788 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.730 39.834 20.044 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.511 38.577 20.125 1.00 0.00 H new ATOM 0 HD1 TYR A 40 18.801 41.518 21.679 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.661 37.878 22.511 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.959 42.504 23.795 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.807 38.866 24.623 1.00 0.00 H new ATOM 0 HH TYR A 40 15.776 40.603 25.962 1.00 0.00 H new ATOM 635 N CYS A 41 21.383 39.482 20.694 1.00 0.00 N ATOM 636 CA CYS A 41 22.515 40.260 21.204 1.00 0.00 C ATOM 637 C CYS A 41 22.039 41.505 21.968 1.00 0.00 C ATOM 638 O CYS A 41 21.132 42.200 21.507 1.00 0.00 O ATOM 639 CB CYS A 41 23.441 40.656 20.047 1.00 0.00 C ATOM 640 SG CYS A 41 24.934 41.545 20.550 1.00 0.00 S ATOM 0 H CYS A 41 21.130 39.718 19.734 1.00 0.00 H new ATOM 0 HA CYS A 41 23.070 39.637 21.905 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.734 39.755 19.509 1.00 0.00 H new ATOM 0 HB3 CYS A 41 22.882 41.277 19.347 1.00 0.00 H new ATOM 645 N TYR A 42 22.669 41.816 23.104 1.00 0.00 N ATOM 646 CA TYR A 42 22.382 43.002 23.915 1.00 0.00 C ATOM 647 C TYR A 42 23.638 43.431 24.684 1.00 0.00 C ATOM 648 O TYR A 42 24.314 42.582 25.267 1.00 0.00 O ATOM 649 CB TYR A 42 21.215 42.670 24.858 1.00 0.00 C ATOM 650 CG TYR A 42 20.843 43.759 25.848 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.173 44.916 25.412 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.128 43.591 27.217 1.00 0.00 C ATOM 653 CE1 TYR A 42 19.787 45.903 26.344 1.00 0.00 C ATOM 654 CE2 TYR A 42 20.739 44.572 28.147 1.00 0.00 C ATOM 655 CZ TYR A 42 20.067 45.735 27.715 1.00 0.00 C ATOM 656 OH TYR A 42 19.659 46.666 28.614 1.00 0.00 O ATOM 0 H TYR A 42 23.411 41.236 23.495 1.00 0.00 H new ATOM 0 HA TYR A 42 22.095 43.842 23.283 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.338 42.438 24.254 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.467 41.768 25.415 1.00 0.00 H new ATOM 0 HD1 TYR A 42 19.954 45.049 24.363 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.647 42.706 27.554 1.00 0.00 H new ATOM 0 HE1 TYR A 42 19.275 46.791 26.005 1.00 0.00 H new ATOM 0 HE2 TYR A 42 20.956 44.434 29.196 1.00 0.00 H new ATOM 0 HH TYR A 42 19.934 46.394 29.514 1.00 0.00 H new ATOM 666 N ALA A 43 23.985 44.723 24.680 1.00 0.00 N ATOM 667 CA ALA A 43 25.159 45.273 25.377 1.00 0.00 C ATOM 668 C ALA A 43 26.455 44.443 25.166 1.00 0.00 C ATOM 669 O ALA A 43 27.175 44.107 26.114 1.00 0.00 O ATOM 670 CB ALA A 43 24.784 45.533 26.842 1.00 0.00 C ATOM 0 H ALA A 43 23.448 45.433 24.182 1.00 0.00 H new ATOM 0 HA ALA A 43 25.428 46.230 24.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.645 45.941 27.371 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.960 46.245 26.886 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.480 44.597 27.311 1.00 0.00 H new ATOM 676 N PHE A 44 26.707 44.061 23.911 1.00 0.00 N ATOM 677 CA PHE A 44 27.874 43.308 23.429 1.00 0.00 C ATOM 678 C PHE A 44 28.080 41.888 24.007 1.00 0.00 C ATOM 679 O PHE A 44 29.198 41.367 23.961 1.00 0.00 O ATOM 680 CB PHE A 44 29.145 44.180 23.475 1.00 0.00 C ATOM 681 CG PHE A 44 28.975 45.631 23.048 1.00 0.00 C ATOM 682 CD1 PHE A 44 29.352 46.673 23.913 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.436 45.945 21.785 1.00 0.00 C ATOM 684 CE1 PHE A 44 29.193 48.016 23.525 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.236 47.284 21.413 1.00 0.00 C ATOM 686 CZ PHE A 44 28.612 48.322 22.287 1.00 0.00 C ATOM 0 H PHE A 44 26.061 44.283 23.153 1.00 0.00 H new ATOM 0 HA PHE A 44 27.641 43.081 22.389 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.535 44.165 24.493 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.900 43.720 22.837 1.00 0.00 H new ATOM 0 HD1 PHE A 44 29.767 46.441 24.883 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.175 45.152 21.100 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.518 48.810 24.181 1.00 0.00 H new ATOM 0 HE2 PHE A 44 27.794 47.518 20.456 1.00 0.00 H new ATOM 0 HZ PHE A 44 28.453 49.352 22.004 1.00 0.00 H new ATOM 696 N ALA A 45 27.034 41.232 24.529 1.00 0.00 N ATOM 697 CA ALA A 45 27.060 39.804 24.887 1.00 0.00 C ATOM 698 C ALA A 45 25.691 39.122 24.696 1.00 0.00 C ATOM 699 O ALA A 45 24.641 39.725 24.929 1.00 0.00 O ATOM 700 CB ALA A 45 27.606 39.609 26.308 1.00 0.00 C ATOM 0 H ALA A 45 26.137 41.680 24.717 1.00 0.00 H new ATOM 0 HA ALA A 45 27.741 39.308 24.195 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.616 38.547 26.551 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.620 40.004 26.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.970 40.138 27.018 1.00 0.00 H new ATOM 706 N CYS A 46 25.693 37.866 24.244 1.00 0.00 N ATOM 707 CA CYS A 46 24.469 37.156 23.860 1.00 0.00 C ATOM 708 C CYS A 46 23.548 36.887 25.063 1.00 0.00 C ATOM 709 O CYS A 46 23.970 36.278 26.048 1.00 0.00 O ATOM 710 CB CYS A 46 24.827 35.838 23.164 1.00 0.00 C ATOM 711 SG CYS A 46 25.607 35.977 21.535 1.00 0.00 S ATOM 0 H CYS A 46 26.542 37.312 24.134 1.00 0.00 H new ATOM 0 HA CYS A 46 23.920 37.799 23.171 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.496 35.277 23.817 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.916 35.249 23.058 1.00 0.00 H new ATOM 716 N TRP A 47 22.279 37.282 24.952 1.00 0.00 N ATOM 717 CA TRP A 47 21.213 37.044 25.927 1.00 0.00 C ATOM 718 C TRP A 47 20.210 36.036 25.339 1.00 0.00 C ATOM 719 O TRP A 47 19.487 36.323 24.382 1.00 0.00 O ATOM 720 CB TRP A 47 20.597 38.400 26.310 1.00 0.00 C ATOM 721 CG TRP A 47 19.609 38.410 27.441 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.268 38.491 27.286 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.838 38.393 28.891 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.653 38.541 28.518 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.567 38.459 29.543 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.975 38.370 29.737 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.427 38.480 30.936 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.843 38.421 31.140 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.576 38.473 31.741 1.00 0.00 C ATOM 0 H TRP A 47 21.950 37.803 24.139 1.00 0.00 H new ATOM 0 HA TRP A 47 21.587 36.596 26.848 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.410 39.080 26.565 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.105 38.809 25.428 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.755 38.513 26.336 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.646 38.628 28.653 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.961 38.312 29.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.445 38.501 31.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.728 38.420 31.759 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.486 38.507 32.817 1.00 0.00 H new ATOM 740 N CYS A 48 20.224 34.811 25.861 1.00 0.00 N ATOM 741 CA CYS A 48 19.305 33.745 25.482 1.00 0.00 C ATOM 742 C CYS A 48 17.899 33.996 26.055 1.00 0.00 C ATOM 743 O CYS A 48 17.743 34.572 27.135 1.00 0.00 O ATOM 744 CB CYS A 48 19.834 32.403 25.996 1.00 0.00 C ATOM 745 SG CYS A 48 21.436 31.812 25.376 1.00 0.00 S ATOM 0 H CYS A 48 20.893 34.527 26.577 1.00 0.00 H new ATOM 0 HA CYS A 48 19.235 33.725 24.394 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.901 32.467 27.082 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.088 31.642 25.767 1.00 0.00 H new ATOM 750 N THR A 49 16.875 33.490 25.369 1.00 0.00 N ATOM 751 CA THR A 49 15.464 33.559 25.779 1.00 0.00 C ATOM 752 C THR A 49 14.777 32.204 25.610 1.00 0.00 C ATOM 753 O THR A 49 15.282 31.320 24.914 1.00 0.00 O ATOM 754 CB THR A 49 14.687 34.659 25.026 1.00 0.00 C ATOM 755 OG1 THR A 49 14.514 34.343 23.660 1.00 0.00 O ATOM 756 CG2 THR A 49 15.360 36.030 25.080 1.00 0.00 C ATOM 0 H THR A 49 17.004 33.003 24.482 1.00 0.00 H new ATOM 0 HA THR A 49 15.457 33.825 26.836 1.00 0.00 H new ATOM 0 HB THR A 49 13.729 34.705 25.543 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.637 33.926 23.529 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.758 36.753 24.530 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.452 36.350 26.118 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.351 35.967 24.631 1.00 0.00 H new ATOM 764 N HIS A 50 13.617 32.041 26.252 1.00 0.00 N ATOM 765 CA HIS A 50 12.801 30.818 26.220 1.00 0.00 C ATOM 766 C HIS A 50 13.511 29.578 26.802 1.00 0.00 C ATOM 767 O HIS A 50 13.116 28.444 26.523 1.00 0.00 O ATOM 768 CB HIS A 50 12.182 30.596 24.824 1.00 0.00 C ATOM 769 CG HIS A 50 11.468 31.809 24.274 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.056 32.848 23.543 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.152 32.105 24.474 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.085 33.759 23.357 1.00 0.00 C ATOM 773 NE2 HIS A 50 9.930 33.328 23.883 1.00 0.00 N ATOM 0 H HIS A 50 13.205 32.777 26.826 1.00 0.00 H new ATOM 0 HA HIS A 50 11.968 30.975 26.906 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.970 30.304 24.130 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.479 29.765 24.876 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.426 31.498 24.994 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.217 34.706 22.854 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.038 33.822 23.851 1.00 0.00 H new ATOM 781 N LEU A 51 14.546 29.779 27.625 1.00 0.00 N ATOM 782 CA LEU A 51 15.269 28.726 28.342 1.00 0.00 C ATOM 783 C LEU A 51 14.429 28.099 29.464 1.00 0.00 C ATOM 784 O LEU A 51 13.517 28.730 30.004 1.00 0.00 O ATOM 785 CB LEU A 51 16.568 29.276 28.963 1.00 0.00 C ATOM 786 CG LEU A 51 17.595 29.894 28.002 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.826 30.289 28.818 1.00 0.00 C ATOM 788 CD2 LEU A 51 18.030 28.908 26.916 1.00 0.00 C ATOM 0 H LEU A 51 14.915 30.711 27.816 1.00 0.00 H new ATOM 0 HA LEU A 51 15.496 27.959 27.602 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.297 30.032 29.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.055 28.464 29.503 1.00 0.00 H new ATOM 0 HG LEU A 51 17.136 30.753 27.512 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.573 30.731 28.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.540 31.014 29.580 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.244 29.404 29.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.756 29.387 26.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.483 28.032 27.380 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.161 28.601 26.334 1.00 0.00 H new ATOM 800 N TYR A 52 14.811 26.884 29.856 1.00 0.00 N ATOM 801 CA TYR A 52 14.276 26.154 31.003 1.00 0.00 C ATOM 802 C TYR A 52 14.424 26.894 32.349 1.00 0.00 C ATOM 803 O TYR A 52 15.292 27.751 32.540 1.00 0.00 O ATOM 804 CB TYR A 52 14.922 24.751 31.056 1.00 0.00 C ATOM 805 CG TYR A 52 16.392 24.625 30.661 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.380 25.455 31.225 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.779 23.655 29.716 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.729 25.338 30.839 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.126 23.527 29.330 1.00 0.00 C ATOM 810 CZ TYR A 52 19.107 24.375 29.882 1.00 0.00 C ATOM 811 OH TYR A 52 20.410 24.220 29.534 1.00 0.00 O ATOM 0 H TYR A 52 15.533 26.360 29.361 1.00 0.00 H new ATOM 0 HA TYR A 52 13.200 26.067 30.854 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.815 24.372 32.072 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.344 24.092 30.408 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.099 26.191 31.964 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.035 23.003 29.283 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.474 25.986 31.276 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.409 22.776 28.608 1.00 0.00 H new ATOM 0 HH TYR A 52 20.487 23.511 28.862 1.00 0.00 H new ATOM 821 N GLU A 53 13.626 26.483 33.336 1.00 0.00 N ATOM 822 CA GLU A 53 13.660 26.983 34.719 1.00 0.00 C ATOM 823 C GLU A 53 15.030 26.788 35.402 1.00 0.00 C ATOM 824 O GLU A 53 15.356 27.492 36.356 1.00 0.00 O ATOM 825 CB GLU A 53 12.562 26.276 35.536 1.00 0.00 C ATOM 826 CG GLU A 53 11.121 26.577 35.076 1.00 0.00 C ATOM 827 CD GLU A 53 10.630 27.969 35.492 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.089 28.710 34.636 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.773 28.325 36.688 1.00 0.00 O1- ATOM 0 H GLU A 53 12.912 25.768 33.194 1.00 0.00 H new ATOM 0 HA GLU A 53 13.484 28.058 34.681 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.727 25.200 35.486 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.663 26.566 36.582 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.068 26.490 33.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.450 25.824 35.490 1.00 0.00 H new ATOM 836 N GLN A 54 15.860 25.860 34.913 1.00 0.00 N ATOM 837 CA GLN A 54 17.206 25.584 35.444 1.00 0.00 C ATOM 838 C GLN A 54 18.277 26.615 35.027 1.00 0.00 C ATOM 839 O GLN A 54 19.415 26.534 35.504 1.00 0.00 O ATOM 840 CB GLN A 54 17.628 24.151 35.067 1.00 0.00 C ATOM 841 CG GLN A 54 16.815 23.071 35.804 1.00 0.00 C ATOM 842 CD GLN A 54 15.384 22.921 35.292 1.00 0.00 C ATOM 843 OE1 GLN A 54 15.144 22.746 34.103 1.00 0.00 O ATOM 844 NE2 GLN A 54 14.393 22.991 36.148 1.00 0.00 N ATOM 0 H GLN A 54 15.613 25.266 34.121 1.00 0.00 H new ATOM 0 HA GLN A 54 17.139 25.677 36.528 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.512 24.015 33.992 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.686 24.019 35.293 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.328 22.114 35.707 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.788 23.312 36.867 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.585 23.136 37.139 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.431 22.900 35.823 1.00 0.00 H new ATOM 853 N ALA A 55 17.948 27.579 34.158 1.00 0.00 N ATOM 854 CA ALA A 55 18.850 28.666 33.768 1.00 0.00 C ATOM 855 C ALA A 55 19.130 29.631 34.943 1.00 0.00 C ATOM 856 O ALA A 55 18.245 29.883 35.763 1.00 0.00 O ATOM 857 CB ALA A 55 18.265 29.383 32.546 1.00 0.00 C ATOM 0 H ALA A 55 17.037 27.625 33.702 1.00 0.00 H new ATOM 0 HA ALA A 55 19.820 28.250 33.496 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.929 30.194 32.248 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.164 28.676 31.723 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.285 29.790 32.797 1.00 0.00 H new ATOM 863 N VAL A 56 20.362 30.149 35.021 1.00 0.00 N ATOM 864 CA VAL A 56 20.902 30.959 36.136 1.00 0.00 C ATOM 865 C VAL A 56 21.766 32.107 35.598 1.00 0.00 C ATOM 866 O VAL A 56 22.534 31.900 34.654 1.00 0.00 O ATOM 867 CB VAL A 56 21.718 30.058 37.095 1.00 0.00 C ATOM 868 CG1 VAL A 56 22.586 30.817 38.105 1.00 0.00 C ATOM 869 CG2 VAL A 56 20.800 29.133 37.901 1.00 0.00 C ATOM 0 H VAL A 56 21.047 30.012 34.277 1.00 0.00 H new ATOM 0 HA VAL A 56 20.071 31.395 36.691 1.00 0.00 H new ATOM 0 HB VAL A 56 22.377 29.501 36.429 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.120 30.104 38.734 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.304 31.440 37.572 1.00 0.00 H new ATOM 0 HG13 VAL A 56 21.952 31.447 38.729 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.401 28.512 38.565 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.108 29.732 38.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.237 28.495 37.220 1.00 0.00 H new ATOM 879 N VAL A 57 21.685 33.305 36.187 1.00 0.00 N ATOM 880 CA VAL A 57 22.496 34.490 35.809 1.00 0.00 C ATOM 881 C VAL A 57 23.578 34.865 36.830 1.00 0.00 C ATOM 882 O VAL A 57 24.341 35.805 36.588 1.00 0.00 O ATOM 883 CB VAL A 57 21.638 35.712 35.423 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.876 35.448 34.122 1.00 0.00 C ATOM 885 CG2 VAL A 57 20.645 36.116 36.516 1.00 0.00 C ATOM 0 H VAL A 57 21.043 33.492 36.957 1.00 0.00 H new ATOM 0 HA VAL A 57 23.028 34.171 34.913 1.00 0.00 H new ATOM 0 HB VAL A 57 22.335 36.539 35.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.277 36.322 33.867 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.585 35.248 33.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.222 34.586 34.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.071 36.981 36.184 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.967 35.286 36.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.189 36.368 37.426 1.00 0.00 H new ATOM 895 N TRP A 58 23.704 34.154 37.955 1.00 0.00 N ATOM 896 CA TRP A 58 24.883 34.291 38.826 1.00 0.00 C ATOM 897 C TRP A 58 26.148 33.734 38.116 1.00 0.00 C ATOM 898 O TRP A 58 26.041 32.716 37.417 1.00 0.00 O ATOM 899 CB TRP A 58 24.635 33.622 40.187 1.00 0.00 C ATOM 900 CG TRP A 58 23.363 34.055 40.856 1.00 0.00 C ATOM 901 CD1 TRP A 58 23.018 35.337 41.114 1.00 0.00 C ATOM 902 CD2 TRP A 58 22.207 33.248 41.248 1.00 0.00 C ATOM 903 NE1 TRP A 58 21.716 35.386 41.571 1.00 0.00 N ATOM 904 CE2 TRP A 58 21.145 34.135 41.596 1.00 0.00 C ATOM 905 CE3 TRP A 58 21.923 31.865 41.303 1.00 0.00 C ATOM 906 CZ2 TRP A 58 19.849 33.683 41.873 1.00 0.00 C ATOM 907 CZ3 TRP A 58 20.628 31.398 41.611 1.00 0.00 C ATOM 908 CH2 TRP A 58 19.584 32.303 41.873 1.00 0.00 C ATOM 0 H TRP A 58 23.011 33.482 38.285 1.00 0.00 H new ATOM 0 HA TRP A 58 25.060 35.349 39.020 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.612 32.541 40.050 1.00 0.00 H new ATOM 0 HB3 TRP A 58 25.474 33.842 40.847 1.00 0.00 H new ATOM 0 HD1 TRP A 58 23.663 36.193 40.982 1.00 0.00 H new ATOM 0 HE1 TRP A 58 21.238 36.242 41.854 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.711 31.153 41.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 19.060 34.389 42.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.437 30.336 41.646 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.587 31.940 42.073 1.00 0.00 H new ATOM 919 N PRO A 59 27.337 34.359 38.262 1.00 0.00 N ATOM 920 CA PRO A 59 28.578 33.901 37.626 1.00 0.00 C ATOM 921 C PRO A 59 29.021 32.490 38.037 1.00 0.00 C ATOM 922 O PRO A 59 28.795 32.054 39.173 1.00 0.00 O ATOM 923 CB PRO A 59 29.650 34.935 37.988 1.00 0.00 C ATOM 924 CG PRO A 59 28.842 36.208 38.217 1.00 0.00 C ATOM 925 CD PRO A 59 27.555 35.675 38.844 1.00 0.00 C ATOM 0 HA PRO A 59 28.415 33.824 36.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 30.205 34.644 38.880 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.378 35.059 37.186 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.359 36.903 38.879 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.649 36.740 37.285 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.647 35.611 39.928 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.716 36.338 38.634 1.00 0.00 H new ATOM 933 N LEU A 60 29.714 31.798 37.131 1.00 0.00 N ATOM 934 CA LEU A 60 30.150 30.406 37.294 1.00 0.00 C ATOM 935 C LEU A 60 31.091 30.214 38.505 1.00 0.00 C ATOM 936 O LEU A 60 31.979 31.045 38.731 1.00 0.00 O ATOM 937 CB LEU A 60 30.859 29.932 36.005 1.00 0.00 C ATOM 938 CG LEU A 60 29.967 29.404 34.863 1.00 0.00 C ATOM 939 CD1 LEU A 60 29.348 28.051 35.216 1.00 0.00 C ATOM 940 CD2 LEU A 60 28.847 30.365 34.467 1.00 0.00 C ATOM 0 H LEU A 60 29.997 32.200 36.237 1.00 0.00 H new ATOM 0 HA LEU A 60 29.259 29.807 37.481 1.00 0.00 H new ATOM 0 HB2 LEU A 60 31.447 30.764 35.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.562 29.144 36.276 1.00 0.00 H new ATOM 0 HG LEU A 60 30.637 29.300 34.010 1.00 0.00 H new ATOM 0 HD11 LEU A 60 28.726 27.709 34.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 30.140 27.325 35.399 1.00 0.00 H new ATOM 0 HD13 LEU A 60 28.736 28.154 36.112 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.261 29.927 33.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 28.202 30.546 35.327 1.00 0.00 H new ATOM 0 HD23 LEU A 60 29.278 31.309 34.133 1.00 0.00 H new ATOM 952 N PRO A 61 30.969 29.099 39.253 1.00 0.00 N ATOM 953 CA PRO A 61 31.886 28.766 40.344 1.00 0.00 C ATOM 954 C PRO A 61 33.277 28.317 39.852 1.00 0.00 C ATOM 955 O PRO A 61 34.220 28.329 40.645 1.00 0.00 O ATOM 956 CB PRO A 61 31.175 27.659 41.130 1.00 0.00 C ATOM 957 CG PRO A 61 30.365 26.933 40.059 1.00 0.00 C ATOM 958 CD PRO A 61 29.949 28.063 39.118 1.00 0.00 C ATOM 0 HA PRO A 61 32.096 29.641 40.958 1.00 0.00 H new ATOM 0 HB2 PRO A 61 31.886 26.992 41.618 1.00 0.00 H new ATOM 0 HB3 PRO A 61 30.534 28.068 41.911 1.00 0.00 H new ATOM 0 HG2 PRO A 61 30.960 26.178 39.545 1.00 0.00 H new ATOM 0 HG3 PRO A 61 29.501 26.422 40.484 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.886 27.710 38.089 1.00 0.00 H new ATOM 0 HD3 PRO A 61 28.965 28.448 39.383 1.00 0.00 H new ATOM 966 N ASN A 62 33.417 27.949 38.569 1.00 0.00 N ATOM 967 CA ASN A 62 34.646 27.443 37.949 1.00 0.00 C ATOM 968 C ASN A 62 35.748 28.516 37.815 1.00 0.00 C ATOM 969 O ASN A 62 36.768 28.424 38.501 1.00 0.00 O ATOM 970 CB ASN A 62 34.315 26.792 36.585 1.00 0.00 C ATOM 971 CG ASN A 62 33.309 25.656 36.655 1.00 0.00 C ATOM 972 OD1 ASN A 62 32.158 25.847 37.028 1.00 0.00 O ATOM 973 ND2 ASN A 62 33.699 24.464 36.270 1.00 0.00 N ATOM 0 H ASN A 62 32.641 27.999 37.909 1.00 0.00 H new ATOM 0 HA ASN A 62 35.059 26.686 38.616 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.930 27.560 35.914 1.00 0.00 H new ATOM 0 HB3 ASN A 62 35.238 26.416 36.143 1.00 0.00 H new ATOM 0 HD21 ASN A 62 33.041 23.684 36.279 1.00 0.00 H new ATOM 0 HD22 ASN A 62 34.660 24.317 35.961 1.00 0.00 H new ATOM 980 N LYS A 63 35.551 29.533 36.961 1.00 0.00 N ATOM 981 CA LYS A 63 36.554 30.572 36.645 1.00 0.00 C ATOM 982 C LYS A 63 36.015 31.993 36.822 1.00 0.00 C ATOM 983 O LYS A 63 34.832 32.246 36.595 1.00 0.00 O ATOM 984 CB LYS A 63 37.068 30.392 35.210 1.00 0.00 C ATOM 985 CG LYS A 63 37.820 29.072 35.002 1.00 0.00 C ATOM 986 CD LYS A 63 38.484 29.064 33.623 1.00 0.00 C ATOM 987 CE LYS A 63 39.302 27.784 33.435 1.00 0.00 C ATOM 988 NZ LYS A 63 39.836 27.684 32.057 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.673 29.662 36.458 1.00 0.00 H new ATOM 0 HA LYS A 63 37.371 30.445 37.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 36.225 30.436 34.520 1.00 0.00 H new ATOM 0 HB3 LYS A 63 37.728 31.223 34.960 1.00 0.00 H new ATOM 0 HG2 LYS A 63 38.574 28.946 35.779 1.00 0.00 H new ATOM 0 HG3 LYS A 63 37.130 28.233 35.088 1.00 0.00 H new ATOM 0 HD2 LYS A 63 37.724 29.135 32.845 1.00 0.00 H new ATOM 0 HD3 LYS A 63 39.130 29.935 33.518 1.00 0.00 H new ATOM 0 HE2 LYS A 63 40.126 27.768 34.149 1.00 0.00 H new ATOM 0 HE3 LYS A 63 38.678 26.916 33.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 40.427 26.833 31.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 39.047 27.624 31.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 40.409 28.525 31.845 1.00 0.00 H new ATOM 1002 N ARG A 64 36.892 32.940 37.171 1.00 0.00 N ATOM 1003 CA ARG A 64 36.592 34.386 37.254 1.00 0.00 C ATOM 1004 C ARG A 64 36.863 35.097 35.926 1.00 0.00 C ATOM 1005 O ARG A 64 37.930 34.914 35.336 1.00 0.00 O ATOM 1006 CB ARG A 64 37.408 35.040 38.391 1.00 0.00 C ATOM 1007 CG ARG A 64 37.230 34.403 39.785 1.00 0.00 C ATOM 1008 CD ARG A 64 35.976 34.819 40.576 1.00 0.00 C ATOM 1009 NE ARG A 64 34.719 34.707 39.815 1.00 0.00 N ATOM 1010 CZ ARG A 64 34.029 33.616 39.538 1.00 0.00 C ATOM 1011 NH1 ARG A 64 34.311 32.436 40.008 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 33.023 33.685 38.721 1.00 0.00 N ATOM 0 H ARG A 64 37.859 32.723 37.412 1.00 0.00 H new ATOM 0 HA ARG A 64 35.530 34.491 37.474 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.464 35.002 38.125 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.133 36.093 38.454 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.214 33.320 39.665 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.107 34.645 40.385 1.00 0.00 H new ATOM 0 HD2 ARG A 64 35.903 34.201 41.471 1.00 0.00 H new ATOM 0 HD3 ARG A 64 36.095 35.850 40.910 1.00 0.00 H new ATOM 0 HE ARG A 64 34.334 35.581 39.458 1.00 0.00 H new ATOM 0 HH11 ARG A 64 35.108 32.313 40.632 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.735 31.634 39.753 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.770 34.578 38.298 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.485 32.846 38.502 1.00 0.00 H new