USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 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 66:sc= 1.25 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.9!) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.546 K(o=1.7,f=0.31) USER MOD Set 2.2: A 36 SER OG : rot 66:sc= 1.17 USER MOD Set 3.1: A 10 THR OG1 : rot -109:sc= 0.0523 USER MOD Set 3.2: A 12 CYS SG : rot 180:sc= 0.0526 USER MOD Single : A 1 LYS N :NH3+ 138:sc= 0.0313 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 159:sc= 0.757 (180deg=0.647) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.664 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0.981 (180deg=-0.324!) USER MOD Single : A 22 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.8) USER MOD Single : A 24 TYR OH : rot 159:sc= 1.26 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0722 USER MOD Single : A 34 TYR OH : rot -9:sc= 1.15 USER MOD Single : A 38 HIS : no HD1:sc=-0.00975 X(o=-0.0098,f=-0.0098) 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= 0.304 K(o=0.3,f=-6.3!) USER MOD Single : A 62 ASN : amide:sc= -0.0607 K(o=-0.061,f=-2.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.853 32.474 30.485 1.00 0.00 N ATOM 2 CA LYS A 1 13.008 32.979 31.265 1.00 0.00 C ATOM 3 C LYS A 1 14.230 33.193 30.360 1.00 0.00 C ATOM 4 O LYS A 1 14.431 32.454 29.398 1.00 0.00 O ATOM 5 CB LYS A 1 13.289 32.063 32.469 1.00 0.00 C ATOM 6 CG LYS A 1 14.384 32.592 33.405 1.00 0.00 C ATOM 7 CD LYS A 1 14.458 31.772 34.701 1.00 0.00 C ATOM 8 CE LYS A 1 13.420 32.199 35.748 1.00 0.00 C ATOM 9 NZ LYS A 1 13.491 31.322 36.940 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.371 31.725 31.023 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.188 33.253 30.305 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.188 32.088 29.579 1.00 0.00 H new ATOM 0 HA LYS A 1 12.763 33.959 31.675 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.368 31.933 33.038 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.580 31.078 32.105 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.347 32.558 32.896 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.186 33.637 33.645 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.314 30.718 34.465 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.456 31.869 35.128 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.595 33.234 36.041 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.420 32.155 35.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.066 31.809 37.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.972 30.440 36.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 14.485 31.101 37.150 1.00 0.00 H new ATOM 25 N GLU A 2 15.033 34.224 30.647 1.00 0.00 N ATOM 26 CA GLU A 2 16.113 34.747 29.782 1.00 0.00 C ATOM 27 C GLU A 2 17.393 35.070 30.575 1.00 0.00 C ATOM 28 O GLU A 2 17.286 35.460 31.742 1.00 0.00 O ATOM 29 CB GLU A 2 15.671 36.048 29.071 1.00 0.00 C ATOM 30 CG GLU A 2 14.251 36.084 28.484 1.00 0.00 C ATOM 31 CD GLU A 2 13.131 36.181 29.532 1.00 0.00 C ATOM 32 OE1 GLU A 2 13.351 36.714 30.649 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.030 35.647 29.265 1.00 0.00 O1- ATOM 0 H GLU A 2 14.950 34.742 31.522 1.00 0.00 H new ATOM 0 HA GLU A 2 16.322 33.959 29.058 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.763 36.869 29.782 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.375 36.246 28.263 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.173 36.935 27.807 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.096 35.186 27.886 1.00 0.00 H new ATOM 40 N GLY A 3 18.583 34.995 29.963 1.00 0.00 N ATOM 41 CA GLY A 3 19.842 35.329 30.647 1.00 0.00 C ATOM 42 C GLY A 3 21.130 35.326 29.808 1.00 0.00 C ATOM 43 O GLY A 3 21.171 34.867 28.667 1.00 0.00 O ATOM 0 H GLY A 3 18.701 34.705 28.992 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.732 36.319 31.089 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.975 34.625 31.469 1.00 0.00 H new ATOM 47 N TYR A 4 22.200 35.857 30.404 1.00 0.00 N ATOM 48 CA TYR A 4 23.515 36.112 29.786 1.00 0.00 C ATOM 49 C TYR A 4 24.299 34.818 29.472 1.00 0.00 C ATOM 50 O TYR A 4 24.429 33.953 30.345 1.00 0.00 O ATOM 51 CB TYR A 4 24.285 37.016 30.765 1.00 0.00 C ATOM 52 CG TYR A 4 25.500 37.746 30.222 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.757 37.110 30.175 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.391 39.105 29.862 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.898 37.834 29.780 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.531 39.829 29.460 1.00 0.00 C ATOM 57 CZ TYR A 4 27.790 39.195 29.417 1.00 0.00 C ATOM 58 OH TYR A 4 28.896 39.891 29.047 1.00 0.00 O ATOM 0 H TYR A 4 22.177 36.138 31.384 1.00 0.00 H new ATOM 0 HA TYR A 4 23.383 36.593 28.817 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.591 37.759 31.156 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.606 36.405 31.608 1.00 0.00 H new ATOM 0 HD1 TYR A 4 26.845 36.067 30.442 1.00 0.00 H new ATOM 0 HD2 TYR A 4 24.428 39.594 29.895 1.00 0.00 H new ATOM 0 HE1 TYR A 4 28.861 37.346 29.754 1.00 0.00 H new ATOM 0 HE2 TYR A 4 26.441 40.869 29.185 1.00 0.00 H new ATOM 0 HH TYR A 4 28.645 40.813 28.828 1.00 0.00 H new ATOM 68 N LEU A 5 24.838 34.668 28.252 1.00 0.00 N ATOM 69 CA LEU A 5 25.542 33.447 27.818 1.00 0.00 C ATOM 70 C LEU A 5 27.024 33.392 28.255 1.00 0.00 C ATOM 71 O LEU A 5 27.814 34.299 27.978 1.00 0.00 O ATOM 72 CB LEU A 5 25.345 33.243 26.301 1.00 0.00 C ATOM 73 CG LEU A 5 25.944 31.935 25.739 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.312 30.675 26.336 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.747 31.867 24.225 1.00 0.00 C ATOM 0 H LEU A 5 24.799 35.392 27.535 1.00 0.00 H new ATOM 0 HA LEU A 5 25.090 32.602 28.338 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.277 33.260 26.082 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.792 34.086 25.774 1.00 0.00 H new ATOM 0 HG LEU A 5 27.000 31.959 26.008 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.778 29.792 25.899 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.464 30.668 27.415 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.244 30.666 26.120 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.174 30.940 23.844 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.682 31.897 23.995 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.244 32.716 23.755 1.00 0.00 H new ATOM 87 N VAL A 6 27.403 32.277 28.893 1.00 0.00 N ATOM 88 CA VAL A 6 28.751 31.982 29.413 1.00 0.00 C ATOM 89 C VAL A 6 29.076 30.487 29.271 1.00 0.00 C ATOM 90 O VAL A 6 28.177 29.639 29.308 1.00 0.00 O ATOM 91 CB VAL A 6 28.883 32.472 30.875 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.086 31.623 31.878 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.340 32.525 31.345 1.00 0.00 C ATOM 0 H VAL A 6 26.747 31.516 29.071 1.00 0.00 H new ATOM 0 HA VAL A 6 29.486 32.525 28.818 1.00 0.00 H new ATOM 0 HB VAL A 6 28.464 33.478 30.857 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.224 32.022 32.883 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.028 31.651 31.618 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.441 30.593 31.845 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.377 32.875 32.377 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.779 31.529 31.284 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.903 33.209 30.710 1.00 0.00 H new ATOM 103 N ASP A 7 30.358 30.160 29.104 1.00 0.00 N ATOM 104 CA ASP A 7 30.851 28.779 29.068 1.00 0.00 C ATOM 105 C ASP A 7 30.831 28.112 30.459 1.00 0.00 C ATOM 106 O ASP A 7 30.960 28.772 31.489 1.00 0.00 O ATOM 107 CB ASP A 7 32.262 28.772 28.460 1.00 0.00 C ATOM 108 CG ASP A 7 32.787 27.380 28.112 1.00 0.00 C ATOM 109 OD1 ASP A 7 31.974 26.439 27.949 1.00 0.00 O ATOM 110 OD2 ASP A 7 34.020 27.241 27.948 1.00 0.00 O1- ATOM 0 H ASP A 7 31.095 30.856 28.988 1.00 0.00 H new ATOM 0 HA ASP A 7 30.182 28.186 28.445 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.260 29.383 27.558 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.950 29.243 29.162 1.00 0.00 H new ATOM 115 N TYR A 8 30.691 26.786 30.509 1.00 0.00 N ATOM 116 CA TYR A 8 30.484 26.045 31.762 1.00 0.00 C ATOM 117 C TYR A 8 31.759 25.835 32.598 1.00 0.00 C ATOM 118 O TYR A 8 31.662 25.352 33.731 1.00 0.00 O ATOM 119 CB TYR A 8 29.790 24.708 31.459 1.00 0.00 C ATOM 120 CG TYR A 8 30.689 23.547 31.060 1.00 0.00 C ATOM 121 CD1 TYR A 8 31.461 23.609 29.885 1.00 0.00 C ATOM 122 CD2 TYR A 8 30.750 22.392 31.866 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.316 22.550 29.532 1.00 0.00 C ATOM 124 CE2 TYR A 8 31.597 21.326 31.512 1.00 0.00 C ATOM 125 CZ TYR A 8 32.397 21.404 30.353 1.00 0.00 C ATOM 126 OH TYR A 8 33.208 20.363 30.030 1.00 0.00 O ATOM 0 H TYR A 8 30.718 26.191 29.681 1.00 0.00 H new ATOM 0 HA TYR A 8 29.844 26.667 32.388 1.00 0.00 H new ATOM 0 HB2 TYR A 8 29.223 24.411 32.341 1.00 0.00 H new ATOM 0 HB3 TYR A 8 29.070 24.872 30.657 1.00 0.00 H new ATOM 0 HD1 TYR A 8 31.396 24.479 29.248 1.00 0.00 H new ATOM 0 HD2 TYR A 8 30.145 22.325 32.758 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.911 22.613 28.633 1.00 0.00 H new ATOM 0 HE2 TYR A 8 31.635 20.442 32.132 1.00 0.00 H new ATOM 0 HH TYR A 8 33.132 19.665 30.714 1.00 0.00 H new ATOM 136 N HIS A 9 32.934 26.174 32.047 1.00 0.00 N ATOM 137 CA HIS A 9 34.262 25.844 32.601 1.00 0.00 C ATOM 138 C HIS A 9 35.232 27.037 32.713 1.00 0.00 C ATOM 139 O HIS A 9 36.354 26.895 33.197 1.00 0.00 O ATOM 140 CB HIS A 9 34.861 24.696 31.768 1.00 0.00 C ATOM 141 CG HIS A 9 35.661 23.726 32.595 1.00 0.00 C ATOM 142 ND1 HIS A 9 36.997 23.869 32.983 1.00 0.00 N ATOM 143 CD2 HIS A 9 35.151 22.592 33.156 1.00 0.00 C ATOM 144 CE1 HIS A 9 37.253 22.819 33.780 1.00 0.00 C ATOM 145 NE2 HIS A 9 36.170 22.036 33.888 1.00 0.00 N ATOM 0 H HIS A 9 32.991 26.702 31.176 1.00 0.00 H new ATOM 0 HA HIS A 9 34.116 25.535 33.636 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.056 24.160 31.266 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.499 25.114 30.989 1.00 0.00 H new ATOM 0 HD2 HIS A 9 34.147 22.209 33.046 1.00 0.00 H new ATOM 0 HE1 HIS A 9 38.199 22.631 34.266 1.00 0.00 H new ATOM 0 HE2 HIS A 9 36.113 21.171 34.425 1.00 0.00 H new ATOM 153 N THR A 10 34.822 28.229 32.276 1.00 0.00 N ATOM 154 CA THR A 10 35.548 29.493 32.481 1.00 0.00 C ATOM 155 C THR A 10 34.578 30.663 32.333 1.00 0.00 C ATOM 156 O THR A 10 33.685 30.618 31.489 1.00 0.00 O ATOM 157 CB THR A 10 36.749 29.636 31.526 1.00 0.00 C ATOM 158 OG1 THR A 10 37.489 30.780 31.874 1.00 0.00 O ATOM 159 CG2 THR A 10 36.384 29.765 30.045 1.00 0.00 C ATOM 0 H THR A 10 33.953 28.350 31.755 1.00 0.00 H new ATOM 0 HA THR A 10 35.960 29.493 33.490 1.00 0.00 H new ATOM 0 HB THR A 10 37.314 28.711 31.641 1.00 0.00 H new ATOM 0 HG1 THR A 10 37.369 31.469 31.187 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.294 29.861 29.453 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.836 28.878 29.727 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.762 30.648 29.899 1.00 0.00 H new ATOM 167 N GLY A 11 34.722 31.716 33.139 1.00 0.00 N ATOM 168 CA GLY A 11 33.771 32.832 33.196 1.00 0.00 C ATOM 169 C GLY A 11 33.719 33.749 31.965 1.00 0.00 C ATOM 170 O GLY A 11 33.150 34.838 32.061 1.00 0.00 O ATOM 0 H GLY A 11 35.510 31.821 33.778 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.774 32.423 33.360 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.012 33.442 34.066 1.00 0.00 H new ATOM 174 N CYS A 12 34.323 33.359 30.838 1.00 0.00 N ATOM 175 CA CYS A 12 34.419 34.154 29.615 1.00 0.00 C ATOM 176 C CYS A 12 33.066 34.307 28.886 1.00 0.00 C ATOM 177 O CYS A 12 32.473 33.331 28.415 1.00 0.00 O ATOM 178 CB CYS A 12 35.476 33.533 28.691 1.00 0.00 C ATOM 179 SG CYS A 12 37.159 33.407 29.348 1.00 0.00 S ATOM 0 H CYS A 12 34.774 32.448 30.752 1.00 0.00 H new ATOM 0 HA CYS A 12 34.720 35.163 29.897 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.142 32.532 28.417 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.512 34.120 27.773 1.00 0.00 H new ATOM 0 HG CYS A 12 37.933 32.863 28.457 1.00 0.00 H new ATOM 184 N LYS A 13 32.617 35.559 28.759 1.00 0.00 N ATOM 185 CA LYS A 13 31.407 36.023 28.053 1.00 0.00 C ATOM 186 C LYS A 13 31.353 35.641 26.568 1.00 0.00 C ATOM 187 O LYS A 13 32.382 35.595 25.887 1.00 0.00 O ATOM 188 CB LYS A 13 31.326 37.559 28.220 1.00 0.00 C ATOM 189 CG LYS A 13 32.546 38.313 27.642 1.00 0.00 C ATOM 190 CD LYS A 13 32.640 39.776 28.095 1.00 0.00 C ATOM 191 CE LYS A 13 31.610 40.671 27.402 1.00 0.00 C ATOM 192 NZ LYS A 13 31.683 42.059 27.908 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.125 36.338 29.177 1.00 0.00 H new ATOM 0 HA LYS A 13 30.549 35.520 28.500 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.421 37.921 27.731 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.233 37.796 29.280 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.457 37.792 27.937 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.499 38.282 26.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.495 39.829 29.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.642 40.153 27.889 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.783 40.664 26.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.609 40.273 27.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.974 42.644 27.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.494 42.066 28.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.632 42.445 27.728 1.00 0.00 H new ATOM 206 N TYR A 14 30.152 35.434 26.029 1.00 0.00 N ATOM 207 CA TYR A 14 29.935 35.303 24.580 1.00 0.00 C ATOM 208 C TYR A 14 29.717 36.685 23.952 1.00 0.00 C ATOM 209 O TYR A 14 28.667 37.295 24.126 1.00 0.00 O ATOM 210 CB TYR A 14 28.775 34.338 24.305 1.00 0.00 C ATOM 211 CG TYR A 14 29.255 32.904 24.243 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.650 32.231 25.416 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.395 32.275 22.990 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.207 30.941 25.336 1.00 0.00 C ATOM 215 CE2 TYR A 14 29.955 30.988 22.909 1.00 0.00 C ATOM 216 CZ TYR A 14 30.381 30.326 24.078 1.00 0.00 C ATOM 217 OH TYR A 14 30.983 29.112 23.999 1.00 0.00 O ATOM 0 H TYR A 14 29.298 35.352 26.581 1.00 0.00 H new ATOM 0 HA TYR A 14 30.822 34.876 24.112 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.023 34.438 25.087 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.294 34.604 23.364 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.525 32.706 26.378 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.072 32.781 22.092 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.501 30.422 26.237 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.059 30.505 21.948 1.00 0.00 H new ATOM 0 HH TYR A 14 31.024 28.828 23.062 1.00 0.00 H new ATOM 227 N THR A 15 30.727 37.191 23.243 1.00 0.00 N ATOM 228 CA THR A 15 30.799 38.557 22.688 1.00 0.00 C ATOM 229 C THR A 15 29.887 38.798 21.476 1.00 0.00 C ATOM 230 O THR A 15 29.654 37.895 20.669 1.00 0.00 O ATOM 231 CB THR A 15 32.257 38.879 22.305 1.00 0.00 C ATOM 232 OG1 THR A 15 32.803 37.836 21.520 1.00 0.00 O ATOM 233 CG2 THR A 15 33.139 39.008 23.547 1.00 0.00 C ATOM 0 H THR A 15 31.558 36.641 23.026 1.00 0.00 H new ATOM 0 HA THR A 15 30.439 39.221 23.474 1.00 0.00 H new ATOM 0 HB THR A 15 32.239 39.819 21.753 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.728 38.055 21.283 1.00 0.00 H new ATOM 0 HG21 THR A 15 34.161 39.235 23.245 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.761 39.811 24.180 1.00 0.00 H new ATOM 0 HG23 THR A 15 33.125 38.070 24.102 1.00 0.00 H new ATOM 241 N CYS A 16 29.396 40.033 21.326 1.00 0.00 N ATOM 242 CA CYS A 16 28.685 40.539 20.140 1.00 0.00 C ATOM 243 C CYS A 16 29.359 41.822 19.614 1.00 0.00 C ATOM 244 O CYS A 16 29.957 42.576 20.386 1.00 0.00 O ATOM 245 CB CYS A 16 27.207 40.808 20.468 1.00 0.00 C ATOM 246 SG CYS A 16 26.123 39.362 20.626 1.00 0.00 S ATOM 0 H CYS A 16 29.485 40.739 22.057 1.00 0.00 H new ATOM 0 HA CYS A 16 28.732 39.777 19.362 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.164 41.368 21.402 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.799 41.454 19.690 1.00 0.00 H new ATOM 251 N ALA A 17 29.221 42.091 18.312 1.00 0.00 N ATOM 252 CA ALA A 17 29.782 43.265 17.630 1.00 0.00 C ATOM 253 C ALA A 17 28.746 44.373 17.349 1.00 0.00 C ATOM 254 O ALA A 17 29.104 45.554 17.269 1.00 0.00 O ATOM 255 CB ALA A 17 30.409 42.771 16.322 1.00 0.00 C ATOM 0 H ALA A 17 28.700 41.480 17.683 1.00 0.00 H new ATOM 0 HA ALA A 17 30.520 43.727 18.285 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.839 43.615 15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.192 42.046 16.545 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.643 42.300 15.707 1.00 0.00 H new ATOM 261 N LYS A 18 27.470 43.995 17.216 1.00 0.00 N ATOM 262 CA LYS A 18 26.308 44.824 16.846 1.00 0.00 C ATOM 263 C LYS A 18 25.072 44.372 17.626 1.00 0.00 C ATOM 264 O LYS A 18 24.895 43.184 17.905 1.00 0.00 O ATOM 265 CB LYS A 18 26.136 44.736 15.320 1.00 0.00 C ATOM 266 CG LYS A 18 24.843 45.303 14.710 1.00 0.00 C ATOM 267 CD LYS A 18 25.042 45.547 13.201 1.00 0.00 C ATOM 268 CE LYS A 18 23.737 45.699 12.409 1.00 0.00 C ATOM 269 NZ LYS A 18 23.140 44.383 12.087 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.197 43.025 17.376 1.00 0.00 H new ATOM 0 HA LYS A 18 26.459 45.871 17.111 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.978 45.251 14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.209 43.686 15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.019 44.608 14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.574 46.235 15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.642 46.447 13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.613 44.718 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.027 46.290 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.932 46.247 11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.626 44.446 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.893 43.670 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.481 44.107 12.842 1.00 0.00 H new ATOM 283 N LEU A 19 24.251 45.336 18.025 1.00 0.00 N ATOM 284 CA LEU A 19 23.135 45.141 18.965 1.00 0.00 C ATOM 285 C LEU A 19 21.819 44.802 18.256 1.00 0.00 C ATOM 286 O LEU A 19 21.579 45.253 17.139 1.00 0.00 O ATOM 287 CB LEU A 19 22.982 46.388 19.850 1.00 0.00 C ATOM 288 CG LEU A 19 24.242 46.758 20.656 1.00 0.00 C ATOM 289 CD1 LEU A 19 23.993 48.073 21.383 1.00 0.00 C ATOM 290 CD2 LEU A 19 24.606 45.691 21.693 1.00 0.00 C ATOM 0 H LEU A 19 24.338 46.299 17.701 1.00 0.00 H new ATOM 0 HA LEU A 19 23.373 44.281 19.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.708 47.234 19.220 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.157 46.227 20.544 1.00 0.00 H new ATOM 0 HG LEU A 19 25.071 46.840 19.953 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.879 48.345 21.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.778 48.856 20.656 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.144 47.961 22.057 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.501 46.000 22.234 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.781 45.570 22.395 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.796 44.743 21.189 1.00 0.00 H new ATOM 302 N GLY A 20 20.958 44.011 18.899 1.00 0.00 N ATOM 303 CA GLY A 20 19.650 43.614 18.356 1.00 0.00 C ATOM 304 C GLY A 20 19.699 42.559 17.241 1.00 0.00 C ATOM 305 O GLY A 20 18.643 42.152 16.750 1.00 0.00 O ATOM 0 H GLY A 20 21.148 43.622 19.822 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.037 43.230 19.171 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.149 44.503 17.972 1.00 0.00 H new ATOM 309 N ASP A 21 20.897 42.131 16.832 1.00 0.00 N ATOM 310 CA ASP A 21 21.145 40.987 15.943 1.00 0.00 C ATOM 311 C ASP A 21 20.884 39.640 16.643 1.00 0.00 C ATOM 312 O ASP A 21 20.903 39.543 17.874 1.00 0.00 O ATOM 313 CB ASP A 21 22.588 41.052 15.393 1.00 0.00 C ATOM 314 CG ASP A 21 22.741 41.943 14.156 1.00 0.00 C ATOM 315 OD1 ASP A 21 21.789 42.659 13.771 1.00 0.00 O ATOM 316 OD2 ASP A 21 23.808 41.911 13.499 1.00 0.00 O1- ATOM 0 H ASP A 21 21.760 42.591 17.123 1.00 0.00 H new ATOM 0 HA ASP A 21 20.442 41.051 15.112 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.249 41.420 16.178 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.918 40.043 15.145 1.00 0.00 H new ATOM 321 N ASN A 22 20.638 38.586 15.857 1.00 0.00 N ATOM 322 CA ASN A 22 20.213 37.267 16.343 1.00 0.00 C ATOM 323 C ASN A 22 20.782 36.055 15.571 1.00 0.00 C ATOM 324 O ASN A 22 20.996 35.023 16.204 1.00 0.00 O ATOM 325 CB ASN A 22 18.672 37.228 16.433 1.00 0.00 C ATOM 326 CG ASN A 22 17.913 37.557 15.157 1.00 0.00 C ATOM 327 OD1 ASN A 22 18.455 37.842 14.096 1.00 0.00 O ATOM 328 ND2 ASN A 22 16.608 37.573 15.214 1.00 0.00 N ATOM 0 H ASN A 22 20.731 38.627 14.842 1.00 0.00 H new ATOM 0 HA ASN A 22 20.650 37.153 17.335 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.374 36.232 16.761 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.357 37.927 17.208 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.064 37.819 14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.133 37.340 16.086 1.00 0.00 H new ATOM 335 N ASP A 23 21.108 36.154 14.272 1.00 0.00 N ATOM 336 CA ASP A 23 21.601 35.007 13.468 1.00 0.00 C ATOM 337 C ASP A 23 22.825 34.310 14.096 1.00 0.00 C ATOM 338 O ASP A 23 22.920 33.077 14.092 1.00 0.00 O ATOM 339 CB ASP A 23 21.996 35.408 12.031 1.00 0.00 C ATOM 340 CG ASP A 23 20.923 36.082 11.177 1.00 0.00 C ATOM 341 OD1 ASP A 23 20.535 37.240 11.463 1.00 0.00 O ATOM 342 OD2 ASP A 23 20.510 35.496 10.148 1.00 0.00 O1- ATOM 0 H ASP A 23 21.040 37.025 13.745 1.00 0.00 H new ATOM 0 HA ASP A 23 20.754 34.322 13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.852 36.080 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.330 34.511 11.509 1.00 0.00 H new ATOM 347 N TYR A 24 23.753 35.087 14.664 1.00 0.00 N ATOM 348 CA TYR A 24 24.903 34.595 15.421 1.00 0.00 C ATOM 349 C TYR A 24 24.503 33.953 16.764 1.00 0.00 C ATOM 350 O TYR A 24 24.849 32.798 17.020 1.00 0.00 O ATOM 351 CB TYR A 24 25.898 35.753 15.607 1.00 0.00 C ATOM 352 CG TYR A 24 26.873 35.600 16.759 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.932 34.672 16.697 1.00 0.00 C ATOM 354 CD2 TYR A 24 26.703 36.398 17.907 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.831 34.554 17.777 1.00 0.00 C ATOM 356 CE2 TYR A 24 27.590 36.276 18.988 1.00 0.00 C ATOM 357 CZ TYR A 24 28.664 35.365 18.919 1.00 0.00 C ATOM 358 OH TYR A 24 29.567 35.339 19.934 1.00 0.00 O ATOM 0 H TYR A 24 23.722 36.105 14.607 1.00 0.00 H new ATOM 0 HA TYR A 24 25.378 33.793 14.856 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.468 35.870 14.685 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.333 36.674 15.752 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.055 34.051 15.822 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.888 37.105 17.956 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.645 33.845 17.730 1.00 0.00 H new ATOM 0 HE2 TYR A 24 27.450 36.880 19.872 1.00 0.00 H new ATOM 0 HH TYR A 24 29.489 36.161 20.462 1.00 0.00 H new ATOM 368 N CYS A 25 23.769 34.685 17.608 1.00 0.00 N ATOM 369 CA CYS A 25 23.499 34.311 19.000 1.00 0.00 C ATOM 370 C CYS A 25 22.500 33.145 19.156 1.00 0.00 C ATOM 371 O CYS A 25 22.690 32.306 20.039 1.00 0.00 O ATOM 372 CB CYS A 25 23.070 35.583 19.748 1.00 0.00 C ATOM 373 SG CYS A 25 22.575 35.400 21.484 1.00 0.00 S ATOM 0 H CYS A 25 23.338 35.569 17.338 1.00 0.00 H new ATOM 0 HA CYS A 25 24.410 33.909 19.444 1.00 0.00 H new ATOM 0 HB2 CYS A 25 23.895 36.294 19.706 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.237 36.029 19.205 1.00 0.00 H new ATOM 378 N VAL A 26 21.495 33.016 18.275 1.00 0.00 N ATOM 379 CA VAL A 26 20.550 31.878 18.285 1.00 0.00 C ATOM 380 C VAL A 26 21.295 30.543 18.176 1.00 0.00 C ATOM 381 O VAL A 26 21.057 29.642 18.980 1.00 0.00 O ATOM 382 CB VAL A 26 19.495 32.010 17.161 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.659 30.736 16.977 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.509 33.144 17.458 1.00 0.00 C ATOM 0 H VAL A 26 21.311 33.694 17.535 1.00 0.00 H new ATOM 0 HA VAL A 26 20.024 31.897 19.240 1.00 0.00 H new ATOM 0 HB VAL A 26 20.068 32.208 16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.936 30.888 16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.315 29.904 16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.131 30.510 17.904 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.780 33.213 16.651 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.993 32.941 18.397 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.051 34.086 17.538 1.00 0.00 H new ATOM 394 N ARG A 27 22.248 30.436 17.239 1.00 0.00 N ATOM 395 CA ARG A 27 23.069 29.233 17.029 1.00 0.00 C ATOM 396 C ARG A 27 23.871 28.856 18.272 1.00 0.00 C ATOM 397 O ARG A 27 23.770 27.740 18.765 1.00 0.00 O ATOM 398 CB ARG A 27 23.992 29.460 15.824 1.00 0.00 C ATOM 399 CG ARG A 27 24.784 28.202 15.443 1.00 0.00 C ATOM 400 CD ARG A 27 25.636 28.455 14.196 1.00 0.00 C ATOM 401 NE ARG A 27 26.479 27.297 13.863 1.00 0.00 N ATOM 402 CZ ARG A 27 27.673 27.005 14.344 1.00 0.00 C ATOM 403 NH1 ARG A 27 28.262 27.670 15.296 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 28.307 25.987 13.857 1.00 0.00 N ATOM 0 H ARG A 27 22.474 31.194 16.595 1.00 0.00 H new ATOM 0 HA ARG A 27 22.404 28.393 16.828 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.396 29.782 14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.687 30.268 16.051 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.425 27.905 16.273 1.00 0.00 H new ATOM 0 HG3 ARG A 27 24.097 27.376 15.259 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.985 28.685 13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 27 26.267 29.329 14.359 1.00 0.00 H new ATOM 0 HE ARG A 27 26.096 26.643 13.180 1.00 0.00 H new ATOM 0 HH11 ARG A 27 27.798 28.474 15.719 1.00 0.00 H new ATOM 0 HH12 ARG A 27 29.187 27.387 15.619 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.883 25.429 13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 27 29.231 25.743 14.214 1.00 0.00 H new ATOM 418 N GLU A 28 24.658 29.781 18.808 1.00 0.00 N ATOM 419 CA GLU A 28 25.516 29.474 19.964 1.00 0.00 C ATOM 420 C GLU A 28 24.713 29.187 21.250 1.00 0.00 C ATOM 421 O GLU A 28 25.156 28.386 22.077 1.00 0.00 O ATOM 422 CB GLU A 28 26.524 30.603 20.200 1.00 0.00 C ATOM 423 CG GLU A 28 27.353 31.021 18.972 1.00 0.00 C ATOM 424 CD GLU A 28 27.875 29.864 18.104 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.402 28.866 18.646 1.00 0.00 O ATOM 426 OE2 GLU A 28 27.803 29.979 16.853 1.00 0.00 O1- ATOM 0 H GLU A 28 24.726 30.741 18.471 1.00 0.00 H new ATOM 0 HA GLU A 28 26.053 28.557 19.720 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.985 31.477 20.567 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.208 30.296 20.991 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.743 31.674 18.348 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.205 31.610 19.313 1.00 0.00 H new ATOM 433 N CYS A 29 23.515 29.770 21.399 1.00 0.00 N ATOM 434 CA CYS A 29 22.596 29.448 22.492 1.00 0.00 C ATOM 435 C CYS A 29 21.949 28.056 22.325 1.00 0.00 C ATOM 436 O CYS A 29 21.955 27.248 23.261 1.00 0.00 O ATOM 437 CB CYS A 29 21.529 30.545 22.603 1.00 0.00 C ATOM 438 SG CYS A 29 20.507 30.339 24.084 1.00 0.00 S ATOM 0 H CYS A 29 23.158 30.481 20.760 1.00 0.00 H new ATOM 0 HA CYS A 29 23.171 29.408 23.417 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.012 31.522 22.628 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.894 30.526 21.717 1.00 0.00 H new ATOM 443 N ARG A 30 21.440 27.725 21.124 1.00 0.00 N ATOM 444 CA ARG A 30 20.837 26.409 20.835 1.00 0.00 C ATOM 445 C ARG A 30 21.857 25.264 20.836 1.00 0.00 C ATOM 446 O ARG A 30 21.490 24.119 21.099 1.00 0.00 O ATOM 447 CB ARG A 30 19.969 26.475 19.562 1.00 0.00 C ATOM 448 CG ARG A 30 20.703 26.198 18.240 1.00 0.00 C ATOM 449 CD ARG A 30 19.896 26.672 17.027 1.00 0.00 C ATOM 450 NE ARG A 30 18.590 25.995 16.918 1.00 0.00 N ATOM 451 CZ ARG A 30 18.232 25.083 16.034 1.00 0.00 C ATOM 452 NH1 ARG A 30 19.036 24.576 15.147 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.022 24.625 16.020 1.00 0.00 N ATOM 0 H ARG A 30 21.435 28.361 20.327 1.00 0.00 H new ATOM 0 HA ARG A 30 20.168 26.163 21.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.155 25.757 19.662 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.516 27.465 19.504 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.671 26.699 18.250 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.899 25.129 18.151 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.739 27.748 17.097 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.472 26.492 16.119 1.00 0.00 H new ATOM 0 HE ARG A 30 17.884 26.262 17.604 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.008 24.881 15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.694 23.873 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.339 24.969 16.695 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.751 23.920 15.334 1.00 0.00 H new ATOM 467 N LEU A 31 23.139 25.568 20.610 1.00 0.00 N ATOM 468 CA LEU A 31 24.251 24.625 20.798 1.00 0.00 C ATOM 469 C LEU A 31 24.656 24.454 22.273 1.00 0.00 C ATOM 470 O LEU A 31 25.172 23.395 22.637 1.00 0.00 O ATOM 471 CB LEU A 31 25.454 25.084 19.954 1.00 0.00 C ATOM 472 CG LEU A 31 25.261 24.910 18.436 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.410 25.601 17.701 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.258 23.434 18.028 1.00 0.00 C ATOM 0 H LEU A 31 23.440 26.488 20.287 1.00 0.00 H new ATOM 0 HA LEU A 31 23.910 23.645 20.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.653 26.135 20.166 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.336 24.524 20.264 1.00 0.00 H new ATOM 0 HG LEU A 31 24.298 25.349 18.174 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.278 25.481 16.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.415 26.662 17.950 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.357 25.153 18.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.119 23.355 16.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.208 22.978 18.306 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.444 22.917 18.537 1.00 0.00 H new ATOM 486 N ARG A 32 24.403 25.448 23.139 1.00 0.00 N ATOM 487 CA ARG A 32 24.646 25.344 24.586 1.00 0.00 C ATOM 488 C ARG A 32 23.595 24.494 25.298 1.00 0.00 C ATOM 489 O ARG A 32 23.953 23.622 26.087 1.00 0.00 O ATOM 490 CB ARG A 32 24.708 26.750 25.216 1.00 0.00 C ATOM 491 CG ARG A 32 25.170 26.752 26.687 1.00 0.00 C ATOM 492 CD ARG A 32 26.512 26.049 26.931 1.00 0.00 C ATOM 493 NE ARG A 32 27.586 26.560 26.061 1.00 0.00 N ATOM 494 CZ ARG A 32 28.877 26.362 26.213 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.384 25.645 27.170 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.707 26.906 25.382 1.00 0.00 N ATOM 0 H ARG A 32 24.022 26.350 22.854 1.00 0.00 H new ATOM 0 HA ARG A 32 25.605 24.841 24.715 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.386 27.371 24.631 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.722 27.210 25.154 1.00 0.00 H new ATOM 0 HG2 ARG A 32 25.247 27.784 27.030 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.405 26.270 27.296 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.802 26.179 27.974 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.393 24.978 26.764 1.00 0.00 H new ATOM 0 HE ARG A 32 27.299 27.124 25.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.771 25.200 27.854 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.395 25.526 27.238 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.358 27.483 24.617 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.710 26.758 25.492 1.00 0.00 H new ATOM 510 N TYR A 33 22.317 24.770 25.045 1.00 0.00 N ATOM 511 CA TYR A 33 21.201 24.191 25.805 1.00 0.00 C ATOM 512 C TYR A 33 20.416 23.136 25.019 1.00 0.00 C ATOM 513 O TYR A 33 20.460 21.953 25.365 1.00 0.00 O ATOM 514 CB TYR A 33 20.312 25.324 26.346 1.00 0.00 C ATOM 515 CG TYR A 33 21.037 26.248 27.305 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.447 25.752 28.558 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.340 27.577 26.941 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.173 26.574 29.438 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.054 28.407 27.830 1.00 0.00 C ATOM 520 CZ TYR A 33 22.477 27.900 29.077 1.00 0.00 C ATOM 521 OH TYR A 33 23.185 28.675 29.937 1.00 0.00 O ATOM 0 H TYR A 33 22.021 25.405 24.304 1.00 0.00 H new ATOM 0 HA TYR A 33 21.613 23.640 26.651 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.930 25.908 25.509 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.450 24.890 26.852 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.203 24.739 28.843 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.025 27.959 25.981 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.498 26.187 30.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.276 29.428 27.557 1.00 0.00 H new ATOM 0 HH TYR A 33 23.316 29.564 29.545 1.00 0.00 H new ATOM 531 N TYR A 34 19.672 23.554 23.991 1.00 0.00 N ATOM 532 CA TYR A 34 18.844 22.685 23.150 1.00 0.00 C ATOM 533 C TYR A 34 18.324 23.432 21.914 1.00 0.00 C ATOM 534 O TYR A 34 18.196 24.653 21.922 1.00 0.00 O ATOM 535 CB TYR A 34 17.660 22.107 23.951 1.00 0.00 C ATOM 536 CG TYR A 34 16.985 23.059 24.926 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.013 23.974 24.476 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.355 23.046 26.286 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.436 24.899 25.370 1.00 0.00 C ATOM 540 CE2 TYR A 34 16.789 23.971 27.179 1.00 0.00 C ATOM 541 CZ TYR A 34 15.839 24.905 26.721 1.00 0.00 C ATOM 542 OH TYR A 34 15.327 25.807 27.594 1.00 0.00 O ATOM 0 H TYR A 34 19.628 24.534 23.713 1.00 0.00 H new ATOM 0 HA TYR A 34 19.476 21.863 22.814 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.910 21.750 23.245 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.013 21.239 24.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 15.708 23.967 23.440 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.075 22.324 26.642 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.690 25.598 25.022 1.00 0.00 H new ATOM 0 HE2 TYR A 34 17.083 23.966 28.218 1.00 0.00 H new ATOM 0 HH TYR A 34 14.803 26.475 27.104 1.00 0.00 H new ATOM 552 N GLN A 35 17.950 22.682 20.878 1.00 0.00 N ATOM 553 CA GLN A 35 17.469 23.162 19.575 1.00 0.00 C ATOM 554 C GLN A 35 16.334 24.202 19.627 1.00 0.00 C ATOM 555 O GLN A 35 16.249 25.060 18.752 1.00 0.00 O ATOM 556 CB GLN A 35 17.059 21.925 18.755 1.00 0.00 C ATOM 557 CG GLN A 35 15.740 21.213 19.143 1.00 0.00 C ATOM 558 CD GLN A 35 15.628 20.763 20.602 1.00 0.00 C ATOM 559 OE1 GLN A 35 14.864 21.317 21.389 1.00 0.00 O ATOM 560 NE2 GLN A 35 16.381 19.779 21.038 1.00 0.00 N ATOM 0 H GLN A 35 17.975 21.663 20.924 1.00 0.00 H new ATOM 0 HA GLN A 35 18.285 23.711 19.106 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.984 22.225 17.710 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.866 21.196 18.821 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.909 21.884 18.925 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.620 20.339 18.503 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.022 19.306 20.401 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.325 19.488 22.014 1.00 0.00 H new ATOM 569 N SER A 36 15.478 24.140 20.652 1.00 0.00 N ATOM 570 CA SER A 36 14.352 25.056 20.880 1.00 0.00 C ATOM 571 C SER A 36 14.702 26.298 21.723 1.00 0.00 C ATOM 572 O SER A 36 13.803 27.063 22.075 1.00 0.00 O ATOM 573 CB SER A 36 13.192 24.289 21.528 1.00 0.00 C ATOM 574 OG SER A 36 12.897 23.109 20.797 1.00 0.00 O ATOM 0 H SER A 36 15.552 23.423 21.374 1.00 0.00 H new ATOM 0 HA SER A 36 14.066 25.438 19.900 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.450 24.031 22.555 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.308 24.926 21.571 1.00 0.00 H new ATOM 0 HG SER A 36 13.651 22.487 20.862 1.00 0.00 H new ATOM 580 N ALA A 37 15.975 26.491 22.091 1.00 0.00 N ATOM 581 CA ALA A 37 16.464 27.728 22.712 1.00 0.00 C ATOM 582 C ALA A 37 16.790 28.786 21.644 1.00 0.00 C ATOM 583 O ALA A 37 17.194 28.446 20.530 1.00 0.00 O ATOM 584 CB ALA A 37 17.697 27.428 23.579 1.00 0.00 C ATOM 0 H ALA A 37 16.701 25.786 21.965 1.00 0.00 H new ATOM 0 HA ALA A 37 15.678 28.132 23.350 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.054 28.351 24.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.428 26.717 24.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.485 27.003 22.957 1.00 0.00 H new ATOM 590 N HIS A 38 16.659 30.068 21.988 1.00 0.00 N ATOM 591 CA HIS A 38 16.918 31.210 21.093 1.00 0.00 C ATOM 592 C HIS A 38 17.726 32.294 21.827 1.00 0.00 C ATOM 593 O HIS A 38 18.003 32.156 23.017 1.00 0.00 O ATOM 594 CB HIS A 38 15.583 31.748 20.539 1.00 0.00 C ATOM 595 CG HIS A 38 14.735 30.723 19.821 1.00 0.00 C ATOM 596 ND1 HIS A 38 14.878 30.329 18.484 1.00 0.00 N ATOM 597 CD2 HIS A 38 13.701 30.024 20.377 1.00 0.00 C ATOM 598 CE1 HIS A 38 13.917 29.410 18.273 1.00 0.00 C ATOM 599 NE2 HIS A 38 13.205 29.202 19.393 1.00 0.00 N ATOM 0 H HIS A 38 16.362 30.354 22.921 1.00 0.00 H new ATOM 0 HA HIS A 38 17.521 30.884 20.246 1.00 0.00 H new ATOM 0 HB2 HIS A 38 15.005 32.164 21.364 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.795 32.568 19.853 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.343 30.102 21.393 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.742 28.909 17.332 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.430 28.547 19.496 1.00 0.00 H new ATOM 607 N GLY A 39 18.132 33.366 21.142 1.00 0.00 N ATOM 608 CA GLY A 39 18.820 34.495 21.778 1.00 0.00 C ATOM 609 C GLY A 39 19.067 35.690 20.853 1.00 0.00 C ATOM 610 O GLY A 39 18.834 35.608 19.644 1.00 0.00 O ATOM 0 H GLY A 39 17.995 33.477 20.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.231 34.829 22.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.778 34.148 22.167 1.00 0.00 H new ATOM 614 N TYR A 40 19.542 36.803 21.410 1.00 0.00 N ATOM 615 CA TYR A 40 19.898 38.025 20.676 1.00 0.00 C ATOM 616 C TYR A 40 21.064 38.786 21.331 1.00 0.00 C ATOM 617 O TYR A 40 21.470 38.493 22.454 1.00 0.00 O ATOM 618 CB TYR A 40 18.663 38.923 20.502 1.00 0.00 C ATOM 619 CG TYR A 40 18.046 39.458 21.788 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.422 40.727 22.271 1.00 0.00 C ATOM 621 CD2 TYR A 40 17.076 38.705 22.484 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.830 41.245 23.438 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.484 39.220 23.656 1.00 0.00 C ATOM 624 CZ TYR A 40 16.858 40.495 24.134 1.00 0.00 C ATOM 625 OH TYR A 40 16.278 41.020 25.248 1.00 0.00 O ATOM 0 H TYR A 40 19.696 36.886 22.415 1.00 0.00 H new ATOM 0 HA TYR A 40 20.248 37.724 19.689 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.939 39.770 19.874 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.901 38.360 19.962 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.167 41.304 21.744 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.786 37.731 22.118 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.120 42.219 23.802 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.745 38.639 24.188 1.00 0.00 H new ATOM 0 HH TYR A 40 15.629 40.381 25.611 1.00 0.00 H new ATOM 635 N CYS A 41 21.634 39.749 20.608 1.00 0.00 N ATOM 636 CA CYS A 41 22.749 40.571 21.086 1.00 0.00 C ATOM 637 C CYS A 41 22.285 41.788 21.916 1.00 0.00 C ATOM 638 O CYS A 41 21.491 42.617 21.456 1.00 0.00 O ATOM 639 CB CYS A 41 23.633 40.984 19.904 1.00 0.00 C ATOM 640 SG CYS A 41 24.664 39.654 19.223 1.00 0.00 S ATOM 0 H CYS A 41 21.332 39.984 19.663 1.00 0.00 H new ATOM 0 HA CYS A 41 23.341 39.964 21.771 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.995 41.373 19.110 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.281 41.801 20.221 1.00 0.00 H new ATOM 645 N TYR A 42 22.843 41.921 23.121 1.00 0.00 N ATOM 646 CA TYR A 42 22.507 42.902 24.160 1.00 0.00 C ATOM 647 C TYR A 42 23.765 43.241 24.982 1.00 0.00 C ATOM 648 O TYR A 42 24.549 42.344 25.287 1.00 0.00 O ATOM 649 CB TYR A 42 21.399 42.299 25.045 1.00 0.00 C ATOM 650 CG TYR A 42 21.285 42.903 26.432 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.852 44.232 26.588 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.656 42.149 27.564 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.807 44.813 27.868 1.00 0.00 C ATOM 654 CE2 TYR A 42 21.607 42.724 28.847 1.00 0.00 C ATOM 655 CZ TYR A 42 21.193 44.063 28.999 1.00 0.00 C ATOM 656 OH TYR A 42 21.154 44.620 30.238 1.00 0.00 O ATOM 0 H TYR A 42 23.596 41.302 23.420 1.00 0.00 H new ATOM 0 HA TYR A 42 22.146 43.830 23.718 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.443 42.417 24.534 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.577 41.228 25.145 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.554 44.807 25.724 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.979 41.125 27.446 1.00 0.00 H new ATOM 0 HE1 TYR A 42 20.477 45.834 27.985 1.00 0.00 H new ATOM 0 HE2 TYR A 42 21.886 42.142 29.713 1.00 0.00 H new ATOM 0 HH TYR A 42 21.452 43.963 30.901 1.00 0.00 H new ATOM 666 N ALA A 43 24.010 44.518 25.304 1.00 0.00 N ATOM 667 CA ALA A 43 25.196 44.969 26.056 1.00 0.00 C ATOM 668 C ALA A 43 26.541 44.448 25.482 1.00 0.00 C ATOM 669 O ALA A 43 27.478 44.129 26.219 1.00 0.00 O ATOM 670 CB ALA A 43 24.991 44.666 27.550 1.00 0.00 C ATOM 0 H ALA A 43 23.383 45.280 25.047 1.00 0.00 H new ATOM 0 HA ALA A 43 25.287 46.049 25.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.865 44.997 28.112 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.107 45.193 27.910 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.856 43.593 27.688 1.00 0.00 H new ATOM 676 N PHE A 44 26.611 44.308 24.149 1.00 0.00 N ATOM 677 CA PHE A 44 27.720 43.709 23.387 1.00 0.00 C ATOM 678 C PHE A 44 28.094 42.271 23.815 1.00 0.00 C ATOM 679 O PHE A 44 29.246 41.845 23.696 1.00 0.00 O ATOM 680 CB PHE A 44 28.896 44.696 23.259 1.00 0.00 C ATOM 681 CG PHE A 44 28.529 45.938 22.467 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.063 47.090 23.127 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.593 45.921 21.060 1.00 0.00 C ATOM 684 CE1 PHE A 44 27.648 48.209 22.386 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.178 47.044 20.319 1.00 0.00 C ATOM 686 CZ PHE A 44 27.699 48.186 20.982 1.00 0.00 C ATOM 0 H PHE A 44 25.856 44.626 23.541 1.00 0.00 H new ATOM 0 HA PHE A 44 27.360 43.541 22.372 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.230 44.989 24.254 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.735 44.196 22.776 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.024 47.114 24.206 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.961 45.044 20.548 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.289 49.090 22.897 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.228 47.027 19.240 1.00 0.00 H new ATOM 0 HZ PHE A 44 27.371 49.044 20.414 1.00 0.00 H new ATOM 696 N ALA A 45 27.093 41.494 24.239 1.00 0.00 N ATOM 697 CA ALA A 45 27.156 40.058 24.495 1.00 0.00 C ATOM 698 C ALA A 45 25.882 39.330 24.005 1.00 0.00 C ATOM 699 O ALA A 45 24.883 39.959 23.657 1.00 0.00 O ATOM 700 CB ALA A 45 27.410 39.844 25.990 1.00 0.00 C ATOM 0 H ALA A 45 26.165 41.876 24.422 1.00 0.00 H new ATOM 0 HA ALA A 45 27.977 39.621 23.928 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.460 38.776 26.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.353 40.314 26.270 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.598 40.290 26.564 1.00 0.00 H new ATOM 706 N CYS A 46 25.924 38.000 23.933 1.00 0.00 N ATOM 707 CA CYS A 46 24.784 37.152 23.577 1.00 0.00 C ATOM 708 C CYS A 46 23.899 36.835 24.802 1.00 0.00 C ATOM 709 O CYS A 46 24.388 36.452 25.870 1.00 0.00 O ATOM 710 CB CYS A 46 25.319 35.902 22.863 1.00 0.00 C ATOM 711 SG CYS A 46 24.146 34.568 22.483 1.00 0.00 S ATOM 0 H CYS A 46 26.773 37.468 24.125 1.00 0.00 H new ATOM 0 HA CYS A 46 24.120 37.680 22.892 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.775 36.222 21.926 1.00 0.00 H new ATOM 0 HB3 CYS A 46 26.115 35.482 23.478 1.00 0.00 H new ATOM 716 N TRP A 47 22.587 36.996 24.633 1.00 0.00 N ATOM 717 CA TRP A 47 21.554 36.860 25.661 1.00 0.00 C ATOM 718 C TRP A 47 20.519 35.816 25.218 1.00 0.00 C ATOM 719 O TRP A 47 19.832 36.000 24.212 1.00 0.00 O ATOM 720 CB TRP A 47 20.944 38.252 25.875 1.00 0.00 C ATOM 721 CG TRP A 47 19.869 38.370 26.906 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.544 38.326 26.648 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.990 38.598 28.344 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.837 38.537 27.813 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.676 38.687 28.896 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.074 38.777 29.233 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.449 38.915 30.261 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.855 39.015 30.605 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.549 39.075 31.120 1.00 0.00 C ATOM 0 H TRP A 47 22.194 37.239 23.724 1.00 0.00 H new ATOM 0 HA TRP A 47 21.961 36.504 26.608 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.748 38.937 26.144 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.539 38.595 24.923 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.105 38.152 25.677 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.819 38.577 27.867 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.085 38.731 28.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.442 38.967 30.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.698 39.152 31.266 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.391 39.244 32.175 1.00 0.00 H new ATOM 740 N CYS A 48 20.449 34.697 25.937 1.00 0.00 N ATOM 741 CA CYS A 48 19.561 33.568 25.656 1.00 0.00 C ATOM 742 C CYS A 48 18.126 33.792 26.163 1.00 0.00 C ATOM 743 O CYS A 48 17.904 34.450 27.181 1.00 0.00 O ATOM 744 CB CYS A 48 20.126 32.314 26.333 1.00 0.00 C ATOM 745 SG CYS A 48 21.474 31.433 25.504 1.00 0.00 S ATOM 0 H CYS A 48 21.030 34.545 26.762 1.00 0.00 H new ATOM 0 HA CYS A 48 19.513 33.457 24.573 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.474 32.599 27.326 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.304 31.611 26.473 1.00 0.00 H new ATOM 750 N THR A 49 17.156 33.142 25.519 1.00 0.00 N ATOM 751 CA THR A 49 15.721 33.137 25.854 1.00 0.00 C ATOM 752 C THR A 49 15.149 31.710 25.805 1.00 0.00 C ATOM 753 O THR A 49 15.812 30.785 25.327 1.00 0.00 O ATOM 754 CB THR A 49 14.936 34.081 24.917 1.00 0.00 C ATOM 755 OG1 THR A 49 14.971 33.626 23.583 1.00 0.00 O ATOM 756 CG2 THR A 49 15.479 35.511 24.893 1.00 0.00 C ATOM 0 H THR A 49 17.357 32.569 24.700 1.00 0.00 H new ATOM 0 HA THR A 49 15.611 33.506 26.874 1.00 0.00 H new ATOM 0 HB THR A 49 13.924 34.080 25.322 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.492 32.774 23.515 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.879 36.117 24.214 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.431 35.935 25.896 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.514 35.501 24.552 1.00 0.00 H new ATOM 764 N HIS A 50 13.919 31.514 26.303 1.00 0.00 N ATOM 765 CA HIS A 50 13.217 30.212 26.344 1.00 0.00 C ATOM 766 C HIS A 50 13.899 29.156 27.242 1.00 0.00 C ATOM 767 O HIS A 50 13.733 27.944 27.052 1.00 0.00 O ATOM 768 CB HIS A 50 12.905 29.695 24.920 1.00 0.00 C ATOM 769 CG HIS A 50 12.237 30.700 24.010 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.857 31.805 23.414 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.925 30.682 23.639 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.898 32.432 22.713 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.733 31.776 22.828 1.00 0.00 N ATOM 0 H HIS A 50 13.366 32.274 26.700 1.00 0.00 H new ATOM 0 HA HIS A 50 12.262 30.397 26.835 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.836 29.369 24.456 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.264 28.817 25.000 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.182 29.952 23.926 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.044 33.335 22.139 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.853 32.044 22.388 1.00 0.00 H new ATOM 781 N LEU A 51 14.682 29.612 28.225 1.00 0.00 N ATOM 782 CA LEU A 51 15.517 28.783 29.098 1.00 0.00 C ATOM 783 C LEU A 51 14.733 28.027 30.184 1.00 0.00 C ATOM 784 O LEU A 51 13.875 28.599 30.863 1.00 0.00 O ATOM 785 CB LEU A 51 16.580 29.666 29.774 1.00 0.00 C ATOM 786 CG LEU A 51 17.609 30.318 28.835 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.539 31.201 29.666 1.00 0.00 C ATOM 788 CD2 LEU A 51 18.448 29.266 28.103 1.00 0.00 C ATOM 0 H LEU A 51 14.754 30.606 28.442 1.00 0.00 H new ATOM 0 HA LEU A 51 15.970 28.027 28.457 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.070 30.455 30.327 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.116 29.060 30.504 1.00 0.00 H new ATOM 0 HG LEU A 51 17.072 30.905 28.090 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.275 31.670 29.013 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.955 31.972 30.169 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.051 30.591 30.410 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.164 29.763 27.449 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.984 28.657 28.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.794 28.629 27.508 1.00 0.00 H new ATOM 800 N TYR A 52 15.066 26.748 30.378 1.00 0.00 N ATOM 801 CA TYR A 52 14.636 25.957 31.534 1.00 0.00 C ATOM 802 C TYR A 52 15.314 26.442 32.824 1.00 0.00 C ATOM 803 O TYR A 52 16.345 27.117 32.779 1.00 0.00 O ATOM 804 CB TYR A 52 14.857 24.448 31.301 1.00 0.00 C ATOM 805 CG TYR A 52 16.230 23.853 30.991 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.301 22.459 30.790 1.00 0.00 C ATOM 807 CD2 TYR A 52 17.409 24.621 30.878 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.524 21.833 30.478 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.634 24.000 30.558 1.00 0.00 C ATOM 810 CZ TYR A 52 18.695 22.605 30.355 1.00 0.00 C ATOM 811 OH TYR A 52 19.876 22.010 30.037 1.00 0.00 O ATOM 0 H TYR A 52 15.651 26.225 29.726 1.00 0.00 H new ATOM 0 HA TYR A 52 13.563 26.107 31.656 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.492 23.939 32.193 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.201 24.161 30.479 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.405 21.863 30.876 1.00 0.00 H new ATOM 0 HD2 TYR A 52 17.373 25.689 31.037 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.563 20.763 30.334 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.530 24.595 30.468 1.00 0.00 H new ATOM 0 HH TYR A 52 20.582 22.688 29.992 1.00 0.00 H new ATOM 821 N GLU A 53 14.778 26.076 33.992 1.00 0.00 N ATOM 822 CA GLU A 53 15.394 26.407 35.286 1.00 0.00 C ATOM 823 C GLU A 53 16.824 25.853 35.413 1.00 0.00 C ATOM 824 O GLU A 53 17.643 26.431 36.128 1.00 0.00 O ATOM 825 CB GLU A 53 14.533 25.854 36.436 1.00 0.00 C ATOM 826 CG GLU A 53 13.134 26.477 36.527 1.00 0.00 C ATOM 827 CD GLU A 53 13.194 27.980 36.806 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.872 28.784 35.899 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.557 28.376 37.942 1.00 0.00 O1- ATOM 0 H GLU A 53 13.911 25.545 34.070 1.00 0.00 H new ATOM 0 HA GLU A 53 15.450 27.494 35.344 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.431 24.776 36.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.055 26.020 37.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.598 26.302 35.594 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.568 25.984 37.317 1.00 0.00 H new ATOM 836 N GLN A 54 17.144 24.776 34.686 1.00 0.00 N ATOM 837 CA GLN A 54 18.444 24.097 34.717 1.00 0.00 C ATOM 838 C GLN A 54 19.571 24.840 33.953 1.00 0.00 C ATOM 839 O GLN A 54 20.705 24.350 33.906 1.00 0.00 O ATOM 840 CB GLN A 54 18.262 22.651 34.208 1.00 0.00 C ATOM 841 CG GLN A 54 17.331 21.758 35.061 1.00 0.00 C ATOM 842 CD GLN A 54 15.863 21.730 34.619 1.00 0.00 C ATOM 843 OE1 GLN A 54 15.251 22.735 34.284 1.00 0.00 O ATOM 844 NE2 GLN A 54 15.220 20.584 34.622 1.00 0.00 N ATOM 0 H GLN A 54 16.485 24.340 34.041 1.00 0.00 H new ATOM 0 HA GLN A 54 18.785 24.091 35.752 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.870 22.689 33.192 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.242 22.177 34.154 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.718 20.739 35.045 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.375 22.099 36.095 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.703 19.729 34.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.238 20.550 34.350 1.00 0.00 H new ATOM 853 N ALA A 55 19.290 25.998 33.341 1.00 0.00 N ATOM 854 CA ALA A 55 20.274 26.835 32.643 1.00 0.00 C ATOM 855 C ALA A 55 21.286 27.522 33.589 1.00 0.00 C ATOM 856 O ALA A 55 21.140 27.487 34.813 1.00 0.00 O ATOM 857 CB ALA A 55 19.515 27.873 31.804 1.00 0.00 C ATOM 0 H ALA A 55 18.348 26.388 33.317 1.00 0.00 H new ATOM 0 HA ALA A 55 20.875 26.186 32.006 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.228 28.506 31.276 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.879 27.362 31.081 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.898 28.489 32.458 1.00 0.00 H new ATOM 863 N VAL A 56 22.297 28.186 33.013 1.00 0.00 N ATOM 864 CA VAL A 56 23.260 29.043 33.729 1.00 0.00 C ATOM 865 C VAL A 56 23.070 30.493 33.270 1.00 0.00 C ATOM 866 O VAL A 56 23.256 30.784 32.092 1.00 0.00 O ATOM 867 CB VAL A 56 24.707 28.557 33.500 1.00 0.00 C ATOM 868 CG1 VAL A 56 25.727 29.446 34.222 1.00 0.00 C ATOM 869 CG2 VAL A 56 24.893 27.116 33.994 1.00 0.00 C ATOM 0 H VAL A 56 22.475 28.143 32.010 1.00 0.00 H new ATOM 0 HA VAL A 56 23.076 28.986 34.802 1.00 0.00 H new ATOM 0 HB VAL A 56 24.880 28.608 32.425 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.733 29.070 34.036 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.646 30.468 33.851 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.527 29.433 35.293 1.00 0.00 H new ATOM 0 HG21 VAL A 56 25.922 26.801 33.819 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.674 27.066 35.061 1.00 0.00 H new ATOM 0 HG23 VAL A 56 24.215 26.456 33.453 1.00 0.00 H new ATOM 879 N VAL A 57 22.679 31.407 34.160 1.00 0.00 N ATOM 880 CA VAL A 57 22.277 32.790 33.801 1.00 0.00 C ATOM 881 C VAL A 57 23.006 33.864 34.609 1.00 0.00 C ATOM 882 O VAL A 57 23.230 34.966 34.095 1.00 0.00 O ATOM 883 CB VAL A 57 20.747 32.980 33.871 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.023 32.071 32.869 1.00 0.00 C ATOM 885 CG2 VAL A 57 20.160 32.751 35.267 1.00 0.00 C ATOM 0 H VAL A 57 22.628 31.218 35.161 1.00 0.00 H new ATOM 0 HA VAL A 57 22.587 32.925 32.765 1.00 0.00 H new ATOM 0 HB VAL A 57 20.582 34.026 33.613 1.00 0.00 H new ATOM 0 HG11 VAL A 57 18.947 32.230 32.945 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.355 32.307 31.858 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.252 31.029 33.092 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.081 32.902 35.237 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.375 31.732 35.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.606 33.455 35.969 1.00 0.00 H new ATOM 895 N TRP A 58 23.431 33.557 35.838 1.00 0.00 N ATOM 896 CA TRP A 58 24.342 34.410 36.610 1.00 0.00 C ATOM 897 C TRP A 58 25.790 34.302 36.079 1.00 0.00 C ATOM 898 O TRP A 58 26.102 33.344 35.361 1.00 0.00 O ATOM 899 CB TRP A 58 24.237 34.058 38.101 1.00 0.00 C ATOM 900 CG TRP A 58 22.839 33.793 38.572 1.00 0.00 C ATOM 901 CD1 TRP A 58 22.425 32.649 39.155 1.00 0.00 C ATOM 902 CD2 TRP A 58 21.638 34.605 38.388 1.00 0.00 C ATOM 903 NE1 TRP A 58 21.062 32.692 39.366 1.00 0.00 N ATOM 904 CE2 TRP A 58 20.520 33.855 38.866 1.00 0.00 C ATOM 905 CE3 TRP A 58 21.364 35.855 37.787 1.00 0.00 C ATOM 906 CZ2 TRP A 58 19.205 34.316 38.744 1.00 0.00 C ATOM 907 CZ3 TRP A 58 20.043 36.328 37.667 1.00 0.00 C ATOM 908 CH2 TRP A 58 18.964 35.562 38.143 1.00 0.00 C ATOM 0 H TRP A 58 23.152 32.707 36.328 1.00 0.00 H new ATOM 0 HA TRP A 58 24.049 35.453 36.490 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.848 33.178 38.299 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.657 34.876 38.687 1.00 0.00 H new ATOM 0 HD1 TRP A 58 23.066 31.821 39.418 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.527 31.959 39.831 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.180 36.456 37.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.382 33.719 39.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.857 37.287 37.206 1.00 0.00 H new ATOM 0 HH2 TRP A 58 17.953 35.931 38.047 1.00 0.00 H new ATOM 919 N PRO A 59 26.711 35.218 36.435 1.00 0.00 N ATOM 920 CA PRO A 59 28.135 35.081 36.108 1.00 0.00 C ATOM 921 C PRO A 59 28.750 33.820 36.733 1.00 0.00 C ATOM 922 O PRO A 59 28.268 33.363 37.775 1.00 0.00 O ATOM 923 CB PRO A 59 28.807 36.359 36.615 1.00 0.00 C ATOM 924 CG PRO A 59 27.661 37.357 36.771 1.00 0.00 C ATOM 925 CD PRO A 59 26.488 36.461 37.153 1.00 0.00 C ATOM 0 HA PRO A 59 28.281 34.961 35.035 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.318 36.190 37.563 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.555 36.721 35.910 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.872 38.099 37.541 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.470 37.902 35.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.454 36.294 38.230 1.00 0.00 H new ATOM 0 HD3 PRO A 59 25.538 36.914 36.871 1.00 0.00 H new ATOM 933 N LEU A 60 29.782 33.226 36.122 1.00 0.00 N ATOM 934 CA LEU A 60 30.320 31.930 36.565 1.00 0.00 C ATOM 935 C LEU A 60 31.101 32.071 37.892 1.00 0.00 C ATOM 936 O LEU A 60 32.134 32.743 37.911 1.00 0.00 O ATOM 937 CB LEU A 60 31.209 31.314 35.461 1.00 0.00 C ATOM 938 CG LEU A 60 31.396 29.792 35.609 1.00 0.00 C ATOM 939 CD1 LEU A 60 30.166 29.014 35.144 1.00 0.00 C ATOM 940 CD2 LEU A 60 32.587 29.313 34.781 1.00 0.00 C ATOM 0 H LEU A 60 30.264 33.623 35.316 1.00 0.00 H new ATOM 0 HA LEU A 60 29.482 31.258 36.749 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.767 31.526 34.488 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.186 31.797 35.479 1.00 0.00 H new ATOM 0 HG LEU A 60 31.561 29.606 36.670 1.00 0.00 H new ATOM 0 HD11 LEU A 60 30.343 27.946 35.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 29.302 29.309 35.740 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.974 29.232 34.093 1.00 0.00 H new ATOM 0 HD21 LEU A 60 32.702 28.236 34.899 1.00 0.00 H new ATOM 0 HD22 LEU A 60 32.417 29.547 33.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 33.493 29.814 35.122 1.00 0.00 H new ATOM 952 N PRO A 61 30.684 31.424 38.998 1.00 0.00 N ATOM 953 CA PRO A 61 31.432 31.450 40.257 1.00 0.00 C ATOM 954 C PRO A 61 32.644 30.503 40.243 1.00 0.00 C ATOM 955 O PRO A 61 33.523 30.618 41.095 1.00 0.00 O ATOM 956 CB PRO A 61 30.414 31.030 41.319 1.00 0.00 C ATOM 957 CG PRO A 61 29.526 30.047 40.562 1.00 0.00 C ATOM 958 CD PRO A 61 29.473 30.628 39.152 1.00 0.00 C ATOM 0 HA PRO A 61 31.854 32.437 40.447 1.00 0.00 H new ATOM 0 HB2 PRO A 61 30.895 30.562 42.178 1.00 0.00 H new ATOM 0 HB3 PRO A 61 29.847 31.881 41.695 1.00 0.00 H new ATOM 0 HG2 PRO A 61 29.946 29.041 40.566 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.533 29.979 41.006 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.430 29.835 38.405 1.00 0.00 H new ATOM 0 HD3 PRO A 61 28.583 31.242 39.017 1.00 0.00 H new ATOM 966 N ASN A 62 32.694 29.550 39.303 1.00 0.00 N ATOM 967 CA ASN A 62 33.685 28.475 39.271 1.00 0.00 C ATOM 968 C ASN A 62 35.111 29.002 39.027 1.00 0.00 C ATOM 969 O ASN A 62 35.996 28.751 39.848 1.00 0.00 O ATOM 970 CB ASN A 62 33.303 27.417 38.214 1.00 0.00 C ATOM 971 CG ASN A 62 31.925 26.775 38.340 1.00 0.00 C ATOM 972 OD1 ASN A 62 30.994 27.264 38.973 1.00 0.00 O ATOM 973 ND2 ASN A 62 31.729 25.676 37.659 1.00 0.00 N ATOM 0 H ASN A 62 32.031 29.507 38.529 1.00 0.00 H new ATOM 0 HA ASN A 62 33.684 28.006 40.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.371 27.882 37.230 1.00 0.00 H new ATOM 0 HB3 ASN A 62 34.050 26.624 38.244 1.00 0.00 H new ATOM 0 HD21 ASN A 62 30.810 25.234 37.658 1.00 0.00 H new ATOM 0 HD22 ASN A 62 32.495 25.261 37.129 1.00 0.00 H new ATOM 980 N LYS A 63 35.344 29.729 37.919 1.00 0.00 N ATOM 981 CA LYS A 63 36.663 30.251 37.511 1.00 0.00 C ATOM 982 C LYS A 63 36.568 31.570 36.744 1.00 0.00 C ATOM 983 O LYS A 63 35.658 31.740 35.929 1.00 0.00 O ATOM 984 CB LYS A 63 37.433 29.222 36.658 1.00 0.00 C ATOM 985 CG LYS A 63 37.773 27.946 37.441 1.00 0.00 C ATOM 986 CD LYS A 63 38.860 27.101 36.779 1.00 0.00 C ATOM 987 CE LYS A 63 38.460 26.567 35.400 1.00 0.00 C ATOM 988 NZ LYS A 63 39.518 25.699 34.835 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.601 29.977 37.265 1.00 0.00 H new ATOM 0 HA LYS A 63 37.206 30.439 38.437 1.00 0.00 H new ATOM 0 HB2 LYS A 63 36.836 28.960 35.784 1.00 0.00 H new ATOM 0 HB3 LYS A 63 38.354 29.675 36.291 1.00 0.00 H new ATOM 0 HG2 LYS A 63 38.097 28.220 38.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 36.871 27.344 37.550 1.00 0.00 H new ATOM 0 HD2 LYS A 63 39.765 27.700 36.680 1.00 0.00 H new ATOM 0 HD3 LYS A 63 39.103 26.261 37.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 37.529 26.005 35.480 1.00 0.00 H new ATOM 0 HE3 LYS A 63 38.271 27.401 34.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 39.220 25.352 33.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 40.398 26.244 34.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 39.680 24.891 35.469 1.00 0.00 H new ATOM 1002 N ARG A 64 37.540 32.463 36.961 1.00 0.00 N ATOM 1003 CA ARG A 64 37.711 33.722 36.209 1.00 0.00 C ATOM 1004 C ARG A 64 38.095 33.447 34.752 1.00 0.00 C ATOM 1005 O ARG A 64 38.711 32.422 34.448 1.00 0.00 O ATOM 1006 CB ARG A 64 38.803 34.595 36.853 1.00 0.00 C ATOM 1007 CG ARG A 64 38.386 35.426 38.076 1.00 0.00 C ATOM 1008 CD ARG A 64 38.101 34.631 39.353 1.00 0.00 C ATOM 1009 NE ARG A 64 36.692 34.212 39.461 1.00 0.00 N ATOM 1010 CZ ARG A 64 36.144 33.651 40.520 1.00 0.00 C ATOM 1011 NH1 ARG A 64 36.829 33.338 41.579 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 34.869 33.399 40.511 1.00 0.00 N ATOM 0 H ARG A 64 38.250 32.332 37.681 1.00 0.00 H new ATOM 0 HA ARG A 64 36.757 34.248 36.236 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.628 33.947 37.147 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.187 35.276 36.093 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.175 36.148 38.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 37.493 35.996 37.818 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.741 33.749 39.377 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.362 35.238 40.220 1.00 0.00 H new ATOM 0 HE ARG A 64 36.093 34.369 38.651 1.00 0.00 H new ATOM 0 HH11 ARG A 64 37.831 33.526 41.612 1.00 0.00 H new ATOM 0 HH12 ARG A 64 36.365 32.905 42.377 1.00 0.00 H new ATOM 0 HH21 ARG A 64 34.308 33.635 39.692 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.429 32.965 41.323 1.00 0.00 H new