USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 1.3 (180deg=1.23) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 130:sc= 0.183 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 134:sc= 0.189 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180: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= 0.0108 K(o=0.011,f=-1.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc=0.000387 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 35 GLN : amide:sc= 1.4 K(o=1.4,f=-7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.22) 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= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.559 31.290 31.556 1.00 0.00 N ATOM 2 CA LYS A 1 13.730 31.921 32.201 1.00 0.00 C ATOM 3 C LYS A 1 14.757 32.360 31.158 1.00 0.00 C ATOM 4 O LYS A 1 14.738 31.888 30.024 1.00 0.00 O ATOM 5 CB LYS A 1 14.341 30.983 33.262 1.00 0.00 C ATOM 6 CG LYS A 1 14.749 31.758 34.523 1.00 0.00 C ATOM 7 CD LYS A 1 14.938 30.816 35.720 1.00 0.00 C ATOM 8 CE LYS A 1 15.250 31.592 37.003 1.00 0.00 C ATOM 9 NZ LYS A 1 16.687 31.920 37.121 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.825 31.108 32.270 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.181 31.926 30.825 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.846 30.391 31.118 1.00 0.00 H new ATOM 0 HA LYS A 1 13.398 32.820 32.719 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.620 30.210 33.525 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.212 30.478 32.845 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.675 32.301 34.335 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.987 32.501 34.759 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.035 30.223 35.863 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.748 30.118 35.510 1.00 0.00 H new ATOM 0 HE2 LYS A 1 14.666 32.512 37.020 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.941 31.003 37.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.852 32.445 38.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.244 31.042 37.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.977 32.505 36.311 1.00 0.00 H new ATOM 25 N GLU A 2 15.676 33.253 31.522 1.00 0.00 N ATOM 26 CA GLU A 2 16.707 33.806 30.624 1.00 0.00 C ATOM 27 C GLU A 2 18.119 33.659 31.219 1.00 0.00 C ATOM 28 O GLU A 2 18.273 33.376 32.412 1.00 0.00 O ATOM 29 CB GLU A 2 16.371 35.267 30.291 1.00 0.00 C ATOM 30 CG GLU A 2 14.953 35.445 29.725 1.00 0.00 C ATOM 31 CD GLU A 2 14.690 36.816 29.090 1.00 0.00 C ATOM 32 OE1 GLU A 2 13.568 37.014 28.568 1.00 0.00 O ATOM 33 OE2 GLU A 2 15.544 37.733 29.119 1.00 0.00 O1- ATOM 0 H GLU A 2 15.732 33.625 32.470 1.00 0.00 H new ATOM 0 HA GLU A 2 16.708 33.233 29.697 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.475 35.872 31.192 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.094 35.644 29.568 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.774 34.672 28.978 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.232 35.286 30.527 1.00 0.00 H new ATOM 40 N GLY A 3 19.169 33.812 30.405 1.00 0.00 N ATOM 41 CA GLY A 3 20.545 33.602 30.873 1.00 0.00 C ATOM 42 C GLY A 3 21.646 34.040 29.910 1.00 0.00 C ATOM 43 O GLY A 3 21.434 34.160 28.708 1.00 0.00 O ATOM 0 H GLY A 3 19.094 34.079 29.423 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.675 34.138 31.813 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.678 32.542 31.090 1.00 0.00 H new ATOM 47 N TYR A 4 22.843 34.281 30.439 1.00 0.00 N ATOM 48 CA TYR A 4 24.013 34.680 29.653 1.00 0.00 C ATOM 49 C TYR A 4 24.671 33.482 28.947 1.00 0.00 C ATOM 50 O TYR A 4 24.786 32.402 29.528 1.00 0.00 O ATOM 51 CB TYR A 4 25.004 35.401 30.575 1.00 0.00 C ATOM 52 CG TYR A 4 26.235 35.938 29.876 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.093 36.864 28.821 1.00 0.00 C ATOM 54 CD2 TYR A 4 27.518 35.531 30.301 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.236 37.378 28.185 1.00 0.00 C ATOM 56 CE2 TYR A 4 28.664 36.065 29.679 1.00 0.00 C ATOM 57 CZ TYR A 4 28.520 36.992 28.622 1.00 0.00 C ATOM 58 OH TYR A 4 29.624 37.557 28.068 1.00 0.00 O ATOM 0 H TYR A 4 23.033 34.204 31.438 1.00 0.00 H new ATOM 0 HA TYR A 4 23.692 35.357 28.862 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.490 36.228 31.064 1.00 0.00 H new ATOM 0 HB3 TYR A 4 25.318 34.712 31.359 1.00 0.00 H new ATOM 0 HD1 TYR A 4 25.109 37.177 28.503 1.00 0.00 H new ATOM 0 HD2 TYR A 4 27.621 34.812 31.101 1.00 0.00 H new ATOM 0 HE1 TYR A 4 27.131 38.069 27.361 1.00 0.00 H new ATOM 0 HE2 TYR A 4 29.648 35.767 30.009 1.00 0.00 H new ATOM 0 HH TYR A 4 30.221 37.873 28.778 1.00 0.00 H new ATOM 68 N LEU A 5 25.164 33.663 27.718 1.00 0.00 N ATOM 69 CA LEU A 5 25.652 32.568 26.868 1.00 0.00 C ATOM 70 C LEU A 5 27.035 31.974 27.255 1.00 0.00 C ATOM 71 O LEU A 5 27.621 31.199 26.490 1.00 0.00 O ATOM 72 CB LEU A 5 25.519 33.013 25.396 1.00 0.00 C ATOM 73 CG LEU A 5 25.727 31.932 24.312 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.031 30.607 24.618 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.159 32.418 22.980 1.00 0.00 C ATOM 0 H LEU A 5 25.237 34.581 27.280 1.00 0.00 H new ATOM 0 HA LEU A 5 25.020 31.696 27.037 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.526 33.441 25.261 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.238 33.813 25.218 1.00 0.00 H new ATOM 0 HG LEU A 5 26.803 31.764 24.279 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.224 29.900 23.811 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.415 30.202 25.555 1.00 0.00 H new ATOM 0 HD13 LEU A 5 23.957 30.772 24.707 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.309 31.652 22.219 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.093 32.617 23.090 1.00 0.00 H new ATOM 0 HD23 LEU A 5 25.670 33.333 22.679 1.00 0.00 H new ATOM 87 N VAL A 6 27.538 32.276 28.460 1.00 0.00 N ATOM 88 CA VAL A 6 28.772 31.701 29.032 1.00 0.00 C ATOM 89 C VAL A 6 28.785 30.174 28.933 1.00 0.00 C ATOM 90 O VAL A 6 27.807 29.498 29.260 1.00 0.00 O ATOM 91 CB VAL A 6 29.003 32.177 30.485 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.825 31.926 31.440 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.257 31.567 31.122 1.00 0.00 C ATOM 0 H VAL A 6 27.088 32.945 29.084 1.00 0.00 H new ATOM 0 HA VAL A 6 29.604 32.070 28.433 1.00 0.00 H new ATOM 0 HB VAL A 6 29.124 33.254 30.365 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.079 32.292 32.435 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.942 32.450 31.074 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.618 30.857 31.489 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.365 31.939 32.141 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.164 30.481 31.140 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.134 31.847 30.539 1.00 0.00 H new ATOM 103 N ASP A 7 29.908 29.634 28.462 1.00 0.00 N ATOM 104 CA ASP A 7 30.193 28.197 28.400 1.00 0.00 C ATOM 105 C ASP A 7 30.751 27.727 29.753 1.00 0.00 C ATOM 106 O ASP A 7 31.955 27.517 29.904 1.00 0.00 O ATOM 107 CB ASP A 7 31.141 27.950 27.222 1.00 0.00 C ATOM 108 CG ASP A 7 31.490 26.480 26.994 1.00 0.00 C ATOM 109 OD1 ASP A 7 32.487 26.235 26.275 1.00 0.00 O ATOM 110 OD2 ASP A 7 30.794 25.565 27.484 1.00 0.00 O1- ATOM 0 H ASP A 7 30.673 30.203 28.100 1.00 0.00 H new ATOM 0 HA ASP A 7 29.292 27.610 28.224 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.686 28.348 26.315 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.062 28.509 27.389 1.00 0.00 H new ATOM 115 N TYR A 8 29.831 27.629 30.718 1.00 0.00 N ATOM 116 CA TYR A 8 29.947 27.429 32.188 1.00 0.00 C ATOM 117 C TYR A 8 30.986 26.434 32.745 1.00 0.00 C ATOM 118 O TYR A 8 31.207 26.364 33.957 1.00 0.00 O ATOM 119 CB TYR A 8 28.545 27.138 32.750 1.00 0.00 C ATOM 120 CG TYR A 8 27.606 26.366 31.835 1.00 0.00 C ATOM 121 CD1 TYR A 8 26.474 27.012 31.294 1.00 0.00 C ATOM 122 CD2 TYR A 8 27.896 25.034 31.474 1.00 0.00 C ATOM 123 CE1 TYR A 8 25.650 26.337 30.376 1.00 0.00 C ATOM 124 CE2 TYR A 8 27.085 24.366 30.536 1.00 0.00 C ATOM 125 CZ TYR A 8 25.969 25.024 29.975 1.00 0.00 C ATOM 126 OH TYR A 8 25.185 24.406 29.061 1.00 0.00 O ATOM 0 H TYR A 8 28.846 27.696 30.461 1.00 0.00 H new ATOM 0 HA TYR A 8 30.372 28.369 32.539 1.00 0.00 H new ATOM 0 HB2 TYR A 8 28.657 26.578 33.679 1.00 0.00 H new ATOM 0 HB3 TYR A 8 28.073 28.087 33.005 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.240 28.025 31.585 1.00 0.00 H new ATOM 0 HD2 TYR A 8 28.740 24.526 31.917 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.772 26.825 29.978 1.00 0.00 H new ATOM 0 HE2 TYR A 8 27.317 23.352 30.246 1.00 0.00 H new ATOM 0 HH TYR A 8 25.533 23.507 28.886 1.00 0.00 H new ATOM 136 N HIS A 9 31.635 25.673 31.872 1.00 0.00 N ATOM 137 CA HIS A 9 32.869 24.924 32.164 1.00 0.00 C ATOM 138 C HIS A 9 34.018 25.899 32.531 1.00 0.00 C ATOM 139 O HIS A 9 34.946 25.537 33.257 1.00 0.00 O ATOM 140 CB HIS A 9 33.208 24.088 30.915 1.00 0.00 C ATOM 141 CG HIS A 9 34.433 23.213 31.019 1.00 0.00 C ATOM 142 ND1 HIS A 9 35.313 22.936 29.966 1.00 0.00 N ATOM 143 CD2 HIS A 9 34.810 22.488 32.112 1.00 0.00 C ATOM 144 CE1 HIS A 9 36.223 22.085 30.470 1.00 0.00 C ATOM 145 NE2 HIS A 9 35.938 21.792 31.746 1.00 0.00 N ATOM 0 H HIS A 9 31.315 25.551 30.911 1.00 0.00 H new ATOM 0 HA HIS A 9 32.733 24.264 33.021 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.352 23.455 30.682 1.00 0.00 H new ATOM 0 HB3 HIS A 9 33.341 24.767 30.073 1.00 0.00 H new ATOM 0 HD2 HIS A 9 34.320 22.465 33.074 1.00 0.00 H new ATOM 0 HE1 HIS A 9 37.067 21.692 29.922 1.00 0.00 H new ATOM 0 HE2 HIS A 9 36.468 21.159 32.345 1.00 0.00 H new ATOM 153 N THR A 10 33.912 27.160 32.086 1.00 0.00 N ATOM 154 CA THR A 10 34.734 28.330 32.453 1.00 0.00 C ATOM 155 C THR A 10 33.851 29.587 32.569 1.00 0.00 C ATOM 156 O THR A 10 32.662 29.553 32.251 1.00 0.00 O ATOM 157 CB THR A 10 35.850 28.592 31.428 1.00 0.00 C ATOM 158 OG1 THR A 10 35.320 29.021 30.197 1.00 0.00 O ATOM 159 CG2 THR A 10 36.755 27.394 31.174 1.00 0.00 C ATOM 0 H THR A 10 33.194 27.411 31.407 1.00 0.00 H new ATOM 0 HA THR A 10 35.197 28.108 33.415 1.00 0.00 H new ATOM 0 HB THR A 10 36.460 29.375 31.878 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.825 29.797 29.876 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.515 27.661 30.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.238 27.099 32.105 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.160 26.563 30.795 1.00 0.00 H new ATOM 167 N GLY A 11 34.413 30.717 33.015 1.00 0.00 N ATOM 168 CA GLY A 11 33.703 32.003 33.123 1.00 0.00 C ATOM 169 C GLY A 11 33.724 32.874 31.855 1.00 0.00 C ATOM 170 O GLY A 11 33.391 34.060 31.934 1.00 0.00 O ATOM 0 H GLY A 11 35.386 30.767 33.316 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.665 31.805 33.391 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.140 32.573 33.943 1.00 0.00 H new ATOM 174 N CYS A 12 34.167 32.334 30.718 1.00 0.00 N ATOM 175 CA CYS A 12 34.475 33.073 29.486 1.00 0.00 C ATOM 176 C CYS A 12 33.248 33.700 28.782 1.00 0.00 C ATOM 177 O CYS A 12 32.175 33.101 28.684 1.00 0.00 O ATOM 178 CB CYS A 12 35.243 32.124 28.557 1.00 0.00 C ATOM 179 SG CYS A 12 37.015 31.873 28.915 1.00 0.00 S ATOM 0 H CYS A 12 34.328 31.331 30.624 1.00 0.00 H new ATOM 0 HA CYS A 12 35.081 33.938 29.754 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.751 31.152 28.583 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.153 32.500 27.538 1.00 0.00 H new ATOM 184 N LYS A 13 33.423 34.928 28.271 1.00 0.00 N ATOM 185 CA LYS A 13 32.394 35.792 27.682 1.00 0.00 C ATOM 186 C LYS A 13 32.072 35.486 26.212 1.00 0.00 C ATOM 187 O LYS A 13 32.883 34.895 25.505 1.00 0.00 O ATOM 188 CB LYS A 13 32.867 37.241 27.879 1.00 0.00 C ATOM 189 CG LYS A 13 34.285 37.507 27.332 1.00 0.00 C ATOM 190 CD LYS A 13 34.742 38.930 27.620 1.00 0.00 C ATOM 191 CE LYS A 13 35.008 39.176 29.109 1.00 0.00 C ATOM 192 NZ LYS A 13 35.532 40.538 29.343 1.00 0.00 N1+ ATOM 0 H LYS A 13 34.343 35.369 28.258 1.00 0.00 H new ATOM 0 HA LYS A 13 31.447 35.609 28.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.165 37.914 27.387 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.846 37.480 28.942 1.00 0.00 H new ATOM 0 HG2 LYS A 13 34.986 36.802 27.780 1.00 0.00 H new ATOM 0 HG3 LYS A 13 34.299 37.331 26.256 1.00 0.00 H new ATOM 0 HD2 LYS A 13 35.650 39.137 27.054 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.982 39.629 27.271 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.086 39.037 29.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.722 38.441 29.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.702 40.675 30.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 36.424 40.661 28.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.839 41.238 29.011 1.00 0.00 H new ATOM 206 N TYR A 14 30.906 35.939 25.743 1.00 0.00 N ATOM 207 CA TYR A 14 30.451 35.826 24.347 1.00 0.00 C ATOM 208 C TYR A 14 29.981 37.180 23.787 1.00 0.00 C ATOM 209 O TYR A 14 28.793 37.506 23.798 1.00 0.00 O ATOM 210 CB TYR A 14 29.391 34.715 24.220 1.00 0.00 C ATOM 211 CG TYR A 14 30.002 33.328 24.101 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.357 32.844 22.829 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.258 32.541 25.242 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.985 31.594 22.692 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.874 31.278 25.113 1.00 0.00 C ATOM 216 CZ TYR A 14 31.258 30.808 23.834 1.00 0.00 C ATOM 217 OH TYR A 14 31.870 29.602 23.680 1.00 0.00 O ATOM 0 H TYR A 14 30.228 36.411 26.341 1.00 0.00 H new ATOM 0 HA TYR A 14 31.298 35.534 23.726 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.735 34.744 25.090 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.770 34.910 23.345 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.146 33.437 21.951 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.981 32.906 26.220 1.00 0.00 H new ATOM 0 HE1 TYR A 14 31.259 31.234 21.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.052 30.671 25.988 1.00 0.00 H new ATOM 0 HH TYR A 14 31.990 29.182 24.557 1.00 0.00 H new ATOM 227 N THR A 15 30.939 37.985 23.316 1.00 0.00 N ATOM 228 CA THR A 15 30.717 39.323 22.735 1.00 0.00 C ATOM 229 C THR A 15 30.083 39.281 21.336 1.00 0.00 C ATOM 230 O THR A 15 30.322 38.358 20.545 1.00 0.00 O ATOM 231 CB THR A 15 32.016 40.152 22.686 1.00 0.00 C ATOM 232 OG1 THR A 15 32.994 39.560 21.860 1.00 0.00 O ATOM 233 CG2 THR A 15 32.632 40.368 24.068 1.00 0.00 C ATOM 0 H THR A 15 31.924 37.719 23.327 1.00 0.00 H new ATOM 0 HA THR A 15 30.007 39.808 23.406 1.00 0.00 H new ATOM 0 HB THR A 15 31.716 41.115 22.273 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.800 40.118 21.856 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.544 40.958 23.972 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.923 40.898 24.704 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.870 39.403 24.515 1.00 0.00 H new ATOM 241 N CYS A 16 29.301 40.318 21.023 1.00 0.00 N ATOM 242 CA CYS A 16 28.644 40.577 19.740 1.00 0.00 C ATOM 243 C CYS A 16 28.745 42.082 19.429 1.00 0.00 C ATOM 244 O CYS A 16 28.134 42.894 20.120 1.00 0.00 O ATOM 245 CB CYS A 16 27.178 40.115 19.842 1.00 0.00 C ATOM 246 SG CYS A 16 26.122 40.582 18.439 1.00 0.00 S ATOM 0 H CYS A 16 29.097 41.048 21.706 1.00 0.00 H new ATOM 0 HA CYS A 16 29.123 40.029 18.929 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.162 39.030 19.943 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.746 40.527 20.754 1.00 0.00 H new ATOM 251 N ALA A 17 29.509 42.476 18.406 1.00 0.00 N ATOM 252 CA ALA A 17 29.858 43.881 18.151 1.00 0.00 C ATOM 253 C ALA A 17 28.731 44.739 17.524 1.00 0.00 C ATOM 254 O ALA A 17 29.005 45.820 16.988 1.00 0.00 O ATOM 255 CB ALA A 17 31.136 43.903 17.304 1.00 0.00 C ATOM 0 H ALA A 17 29.906 41.827 17.726 1.00 0.00 H new ATOM 0 HA ALA A 17 30.020 44.359 19.117 1.00 0.00 H new ATOM 0 HB1 ALA A 17 31.419 44.935 17.099 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.941 43.407 17.847 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.958 43.382 16.363 1.00 0.00 H new ATOM 261 N LYS A 18 27.473 44.284 17.574 1.00 0.00 N ATOM 262 CA LYS A 18 26.286 44.904 16.959 1.00 0.00 C ATOM 263 C LYS A 18 25.051 44.666 17.835 1.00 0.00 C ATOM 264 O LYS A 18 25.029 43.728 18.630 1.00 0.00 O ATOM 265 CB LYS A 18 26.004 44.284 15.571 1.00 0.00 C ATOM 266 CG LYS A 18 27.100 44.452 14.513 1.00 0.00 C ATOM 267 CD LYS A 18 26.631 43.788 13.217 1.00 0.00 C ATOM 268 CE LYS A 18 27.698 43.826 12.118 1.00 0.00 C ATOM 269 NZ LYS A 18 27.217 43.125 10.908 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.240 43.425 18.072 1.00 0.00 H new ATOM 0 HA LYS A 18 26.485 45.971 16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.819 43.218 15.704 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.084 44.721 15.182 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.304 45.509 14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.030 43.998 14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.361 42.752 13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.730 44.288 12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.941 44.860 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 28.615 43.359 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.951 43.159 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.007 42.134 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.354 43.589 10.558 1.00 0.00 H new ATOM 283 N LEU A 19 24.003 45.464 17.642 1.00 0.00 N ATOM 284 CA LEU A 19 22.676 45.204 18.213 1.00 0.00 C ATOM 285 C LEU A 19 21.711 44.728 17.112 1.00 0.00 C ATOM 286 O LEU A 19 21.929 44.976 15.921 1.00 0.00 O ATOM 287 CB LEU A 19 22.154 46.457 18.951 1.00 0.00 C ATOM 288 CG LEU A 19 23.087 47.022 20.042 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.408 48.214 20.703 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.427 46.005 21.138 1.00 0.00 C ATOM 0 H LEU A 19 24.047 46.315 17.082 1.00 0.00 H new ATOM 0 HA LEU A 19 22.747 44.405 18.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.968 47.240 18.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.194 46.215 19.408 1.00 0.00 H new ATOM 0 HG LEU A 19 24.017 47.299 19.546 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.059 48.621 21.476 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.210 48.981 19.954 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.468 47.894 21.152 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.086 46.468 21.872 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.510 45.678 21.628 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.927 45.144 20.693 1.00 0.00 H new ATOM 302 N GLY A 20 20.648 44.024 17.500 1.00 0.00 N ATOM 303 CA GLY A 20 19.600 43.506 16.607 1.00 0.00 C ATOM 304 C GLY A 20 19.968 42.275 15.759 1.00 0.00 C ATOM 305 O GLY A 20 19.080 41.497 15.412 1.00 0.00 O ATOM 0 H GLY A 20 20.483 43.788 18.478 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.729 43.255 17.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.299 44.308 15.932 1.00 0.00 H new ATOM 309 N ASP A 21 21.249 42.049 15.445 1.00 0.00 N ATOM 310 CA ASP A 21 21.737 40.871 14.704 1.00 0.00 C ATOM 311 C ASP A 21 21.803 39.606 15.584 1.00 0.00 C ATOM 312 O ASP A 21 22.869 39.056 15.873 1.00 0.00 O ATOM 313 CB ASP A 21 23.070 41.170 13.999 1.00 0.00 C ATOM 314 CG ASP A 21 22.974 42.119 12.804 1.00 0.00 C ATOM 315 OD1 ASP A 21 23.886 42.066 11.953 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.003 42.905 12.670 1.00 0.00 O1- ATOM 0 H ASP A 21 21.996 42.693 15.704 1.00 0.00 H new ATOM 0 HA ASP A 21 21.005 40.652 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.760 41.596 14.727 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.504 40.229 13.662 1.00 0.00 H new ATOM 321 N ASN A 22 20.634 39.131 16.013 1.00 0.00 N ATOM 322 CA ASN A 22 20.458 37.999 16.921 1.00 0.00 C ATOM 323 C ASN A 22 20.957 36.642 16.377 1.00 0.00 C ATOM 324 O ASN A 22 21.201 35.743 17.178 1.00 0.00 O ATOM 325 CB ASN A 22 18.963 37.917 17.286 1.00 0.00 C ATOM 326 CG ASN A 22 18.110 37.441 16.120 1.00 0.00 C ATOM 327 OD1 ASN A 22 18.062 38.063 15.070 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.441 36.324 16.255 1.00 0.00 N ATOM 0 H ASN A 22 19.746 39.542 15.725 1.00 0.00 H new ATOM 0 HA ASN A 22 21.083 38.186 17.795 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.834 37.238 18.129 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.616 38.898 17.611 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.877 35.970 15.482 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.483 35.807 17.133 1.00 0.00 H new ATOM 335 N ASP A 23 21.094 36.486 15.055 1.00 0.00 N ATOM 336 CA ASP A 23 21.361 35.212 14.355 1.00 0.00 C ATOM 337 C ASP A 23 22.537 34.422 14.966 1.00 0.00 C ATOM 338 O ASP A 23 22.392 33.245 15.299 1.00 0.00 O ATOM 339 CB ASP A 23 21.606 35.545 12.867 1.00 0.00 C ATOM 340 CG ASP A 23 21.817 34.326 11.958 1.00 0.00 C ATOM 341 OD1 ASP A 23 21.229 33.252 12.217 1.00 0.00 O ATOM 342 OD2 ASP A 23 22.579 34.432 10.963 1.00 0.00 O1- ATOM 0 H ASP A 23 21.020 37.274 14.412 1.00 0.00 H new ATOM 0 HA ASP A 23 20.499 34.554 14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.756 36.116 12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.481 36.191 12.794 1.00 0.00 H new ATOM 347 N TYR A 24 23.675 35.079 15.219 1.00 0.00 N ATOM 348 CA TYR A 24 24.833 34.472 15.893 1.00 0.00 C ATOM 349 C TYR A 24 24.499 33.929 17.293 1.00 0.00 C ATOM 350 O TYR A 24 24.830 32.790 17.628 1.00 0.00 O ATOM 351 CB TYR A 24 25.956 35.514 15.972 1.00 0.00 C ATOM 352 CG TYR A 24 27.158 35.083 16.795 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.499 35.783 17.969 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.937 33.980 16.389 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.607 35.379 18.739 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.046 33.573 17.156 1.00 0.00 C ATOM 357 CZ TYR A 24 29.381 34.268 18.340 1.00 0.00 C ATOM 358 OH TYR A 24 30.445 33.880 19.094 1.00 0.00 O ATOM 0 H TYR A 24 23.821 36.055 14.960 1.00 0.00 H new ATOM 0 HA TYR A 24 25.151 33.610 15.306 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.289 35.748 14.961 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.552 36.434 16.396 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.909 36.632 18.280 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.682 33.445 15.486 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.865 35.921 19.637 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.641 32.729 16.839 1.00 0.00 H new ATOM 0 HH TYR A 24 30.870 33.099 18.682 1.00 0.00 H new ATOM 368 N CYS A 25 23.798 34.718 18.111 1.00 0.00 N ATOM 369 CA CYS A 25 23.426 34.301 19.459 1.00 0.00 C ATOM 370 C CYS A 25 22.379 33.178 19.455 1.00 0.00 C ATOM 371 O CYS A 25 22.418 32.339 20.351 1.00 0.00 O ATOM 372 CB CYS A 25 22.934 35.502 20.267 1.00 0.00 C ATOM 373 SG CYS A 25 24.107 36.875 20.411 1.00 0.00 S ATOM 0 H CYS A 25 23.477 35.653 17.859 1.00 0.00 H new ATOM 0 HA CYS A 25 24.319 33.895 19.934 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.018 35.876 19.809 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.674 35.162 21.269 1.00 0.00 H new ATOM 378 N VAL A 26 21.486 33.103 18.456 1.00 0.00 N ATOM 379 CA VAL A 26 20.601 31.937 18.270 1.00 0.00 C ATOM 380 C VAL A 26 21.435 30.686 17.988 1.00 0.00 C ATOM 381 O VAL A 26 21.305 29.703 18.719 1.00 0.00 O ATOM 382 CB VAL A 26 19.554 32.156 17.157 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.711 30.895 16.915 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.585 33.288 17.505 1.00 0.00 C ATOM 0 H VAL A 26 21.356 33.838 17.761 1.00 0.00 H new ATOM 0 HA VAL A 26 20.045 31.801 19.198 1.00 0.00 H new ATOM 0 HB VAL A 26 20.124 32.408 16.263 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.986 31.088 16.125 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.362 30.074 16.616 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.186 30.627 17.832 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.864 33.411 16.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.058 33.045 18.428 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.142 34.215 17.639 1.00 0.00 H new ATOM 394 N ARG A 27 22.333 30.738 16.992 1.00 0.00 N ATOM 395 CA ARG A 27 23.172 29.607 16.558 1.00 0.00 C ATOM 396 C ARG A 27 24.032 29.030 17.676 1.00 0.00 C ATOM 397 O ARG A 27 24.119 27.809 17.801 1.00 0.00 O ATOM 398 CB ARG A 27 24.104 30.070 15.428 1.00 0.00 C ATOM 399 CG ARG A 27 23.416 30.412 14.100 1.00 0.00 C ATOM 400 CD ARG A 27 24.379 31.275 13.276 1.00 0.00 C ATOM 401 NE ARG A 27 23.780 31.736 12.015 1.00 0.00 N ATOM 402 CZ ARG A 27 24.218 31.499 10.795 1.00 0.00 C ATOM 403 NH1 ARG A 27 25.143 30.629 10.525 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 23.728 32.164 9.797 1.00 0.00 N ATOM 0 H ARG A 27 22.501 31.587 16.452 1.00 0.00 H new ATOM 0 HA ARG A 27 22.490 28.824 16.226 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.652 30.948 15.770 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.840 29.287 15.244 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.161 29.502 13.558 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.484 30.947 14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.685 32.138 13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.281 30.702 13.059 1.00 0.00 H new ATOM 0 HE ARG A 27 22.934 32.300 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.569 30.088 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.444 30.487 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.007 32.867 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.064 31.984 8.851 1.00 0.00 H new ATOM 418 N GLU A 28 24.639 29.886 18.495 1.00 0.00 N ATOM 419 CA GLU A 28 25.429 29.466 19.653 1.00 0.00 C ATOM 420 C GLU A 28 24.563 29.038 20.854 1.00 0.00 C ATOM 421 O GLU A 28 24.958 28.115 21.572 1.00 0.00 O ATOM 422 CB GLU A 28 26.376 30.602 20.066 1.00 0.00 C ATOM 423 CG GLU A 28 27.477 30.955 19.050 1.00 0.00 C ATOM 424 CD GLU A 28 28.508 29.845 18.802 1.00 0.00 C ATOM 425 OE1 GLU A 28 29.194 29.897 17.752 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.660 28.921 19.641 1.00 0.00 O1- ATOM 0 H GLU A 28 24.597 30.898 18.374 1.00 0.00 H new ATOM 0 HA GLU A 28 25.998 28.587 19.352 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.781 31.496 20.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.851 30.330 21.009 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.006 31.212 18.101 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.000 31.846 19.398 1.00 0.00 H new ATOM 433 N CYS A 29 23.399 29.663 21.091 1.00 0.00 N ATOM 434 CA CYS A 29 22.528 29.347 22.235 1.00 0.00 C ATOM 435 C CYS A 29 21.860 27.973 22.095 1.00 0.00 C ATOM 436 O CYS A 29 21.866 27.201 23.056 1.00 0.00 O ATOM 437 CB CYS A 29 21.476 30.446 22.450 1.00 0.00 C ATOM 438 SG CYS A 29 20.406 30.158 23.887 1.00 0.00 S ATOM 0 H CYS A 29 23.034 30.404 20.493 1.00 0.00 H new ATOM 0 HA CYS A 29 23.168 29.305 23.117 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.983 31.403 22.571 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.857 30.524 21.556 1.00 0.00 H new ATOM 443 N ARG A 30 21.389 27.616 20.888 1.00 0.00 N ATOM 444 CA ARG A 30 20.842 26.279 20.575 1.00 0.00 C ATOM 445 C ARG A 30 21.879 25.147 20.604 1.00 0.00 C ATOM 446 O ARG A 30 21.526 23.980 20.428 1.00 0.00 O ATOM 447 CB ARG A 30 20.089 26.347 19.240 1.00 0.00 C ATOM 448 CG ARG A 30 21.028 26.477 18.035 1.00 0.00 C ATOM 449 CD ARG A 30 20.246 26.721 16.746 1.00 0.00 C ATOM 450 NE ARG A 30 19.605 25.480 16.299 1.00 0.00 N ATOM 451 CZ ARG A 30 18.829 25.298 15.252 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.475 26.242 14.435 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 18.403 24.106 14.984 1.00 0.00 N ATOM 0 H ARG A 30 21.376 28.253 20.091 1.00 0.00 H new ATOM 0 HA ARG A 30 20.149 26.015 21.374 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.480 25.450 19.125 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.406 27.196 19.256 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.725 27.299 18.201 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.623 25.569 17.935 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.491 27.490 16.910 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.916 27.092 15.971 1.00 0.00 H new ATOM 0 HE ARG A 30 19.783 24.655 16.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.802 27.196 14.586 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.870 26.030 13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.669 23.323 15.581 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.801 23.949 14.176 1.00 0.00 H new ATOM 467 N LEU A 31 23.154 25.495 20.797 1.00 0.00 N ATOM 468 CA LEU A 31 24.249 24.549 21.033 1.00 0.00 C ATOM 469 C LEU A 31 24.731 24.532 22.500 1.00 0.00 C ATOM 470 O LEU A 31 25.176 23.477 22.959 1.00 0.00 O ATOM 471 CB LEU A 31 25.377 24.818 20.018 1.00 0.00 C ATOM 472 CG LEU A 31 24.970 24.546 18.552 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.044 25.043 17.589 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.762 23.055 18.288 1.00 0.00 C ATOM 0 H LEU A 31 23.462 26.467 20.793 1.00 0.00 H new ATOM 0 HA LEU A 31 23.877 23.537 20.870 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.697 25.856 20.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.236 24.196 20.269 1.00 0.00 H new ATOM 0 HG LEU A 31 24.034 25.080 18.389 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.735 24.840 16.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.183 26.116 17.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.983 24.528 17.794 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.477 22.906 17.247 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.688 22.517 18.491 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.973 22.677 18.938 1.00 0.00 H new ATOM 486 N ARG A 32 24.604 25.638 23.254 1.00 0.00 N ATOM 487 CA ARG A 32 24.801 25.684 24.723 1.00 0.00 C ATOM 488 C ARG A 32 23.709 24.896 25.459 1.00 0.00 C ATOM 489 O ARG A 32 23.996 24.003 26.253 1.00 0.00 O ATOM 490 CB ARG A 32 24.776 27.152 25.187 1.00 0.00 C ATOM 491 CG ARG A 32 25.170 27.343 26.667 1.00 0.00 C ATOM 492 CD ARG A 32 26.673 27.153 26.924 1.00 0.00 C ATOM 493 NE ARG A 32 27.462 28.199 26.241 1.00 0.00 N ATOM 494 CZ ARG A 32 28.038 28.127 25.058 1.00 0.00 C ATOM 495 NH1 ARG A 32 28.249 27.010 24.425 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 28.397 29.227 24.469 1.00 0.00 N ATOM 0 H ARG A 32 24.357 26.545 22.857 1.00 0.00 H new ATOM 0 HA ARG A 32 25.763 25.227 24.957 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.454 27.733 24.562 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.775 27.556 25.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 24.877 28.343 26.988 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.611 26.635 27.279 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.870 27.185 27.996 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.984 26.169 26.572 1.00 0.00 H new ATOM 0 HE ARG A 32 27.574 29.079 26.744 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.963 26.125 24.843 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.700 27.020 23.510 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.232 30.126 24.922 1.00 0.00 H new ATOM 0 HH22 ARG A 32 28.844 29.192 23.553 1.00 0.00 H new ATOM 510 N TYR A 33 22.460 25.250 25.175 1.00 0.00 N ATOM 511 CA TYR A 33 21.248 24.590 25.647 1.00 0.00 C ATOM 512 C TYR A 33 20.701 23.674 24.542 1.00 0.00 C ATOM 513 O TYR A 33 21.314 23.539 23.481 1.00 0.00 O ATOM 514 CB TYR A 33 20.254 25.674 26.102 1.00 0.00 C ATOM 515 CG TYR A 33 20.801 26.547 27.223 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.420 27.779 26.938 1.00 0.00 C ATOM 517 CD2 TYR A 33 20.743 26.092 28.554 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.990 28.545 27.976 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.298 26.860 29.595 1.00 0.00 C ATOM 520 CZ TYR A 33 21.927 28.088 29.309 1.00 0.00 C ATOM 521 OH TYR A 33 22.496 28.808 30.310 1.00 0.00 O ATOM 0 H TYR A 33 22.255 26.050 24.576 1.00 0.00 H new ATOM 0 HA TYR A 33 21.444 23.947 26.505 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.996 26.304 25.251 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.332 25.197 26.436 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.458 28.139 25.920 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.270 25.147 28.778 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.475 29.483 27.750 1.00 0.00 H new ATOM 0 HE2 TYR A 33 21.242 26.508 30.614 1.00 0.00 H new ATOM 0 HH TYR A 33 22.357 28.348 31.164 1.00 0.00 H new ATOM 531 N TYR A 34 19.558 23.035 24.777 1.00 0.00 N ATOM 532 CA TYR A 34 18.847 22.199 23.801 1.00 0.00 C ATOM 533 C TYR A 34 18.512 22.942 22.488 1.00 0.00 C ATOM 534 O TYR A 34 18.391 24.168 22.449 1.00 0.00 O ATOM 535 CB TYR A 34 17.586 21.644 24.477 1.00 0.00 C ATOM 536 CG TYR A 34 16.754 22.684 25.200 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.919 22.899 26.582 1.00 0.00 C ATOM 538 CD2 TYR A 34 15.842 23.467 24.476 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.172 23.897 27.233 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.089 24.461 25.123 1.00 0.00 C ATOM 541 CZ TYR A 34 15.247 24.673 26.507 1.00 0.00 C ATOM 542 OH TYR A 34 14.513 25.623 27.137 1.00 0.00 O ATOM 0 H TYR A 34 19.083 23.083 25.678 1.00 0.00 H new ATOM 0 HA TYR A 34 19.504 21.383 23.498 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.966 21.161 23.721 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.880 20.872 25.189 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.619 22.297 27.142 1.00 0.00 H new ATOM 0 HD2 TYR A 34 15.718 23.305 23.415 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.308 24.069 28.291 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.390 25.062 24.560 1.00 0.00 H new ATOM 0 HH TYR A 34 13.926 26.066 26.489 1.00 0.00 H new ATOM 552 N GLN A 35 18.332 22.197 21.392 1.00 0.00 N ATOM 553 CA GLN A 35 18.208 22.748 20.032 1.00 0.00 C ATOM 554 C GLN A 35 17.007 23.693 19.817 1.00 0.00 C ATOM 555 O GLN A 35 17.014 24.481 18.867 1.00 0.00 O ATOM 556 CB GLN A 35 18.183 21.589 19.019 1.00 0.00 C ATOM 557 CG GLN A 35 19.589 21.043 18.698 1.00 0.00 C ATOM 558 CD GLN A 35 20.378 21.925 17.731 1.00 0.00 C ATOM 559 OE1 GLN A 35 19.845 22.810 17.075 1.00 0.00 O ATOM 560 NE2 GLN A 35 21.667 21.723 17.579 1.00 0.00 N ATOM 0 H GLN A 35 18.267 21.180 21.422 1.00 0.00 H new ATOM 0 HA GLN A 35 19.082 23.381 19.877 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.566 20.781 19.414 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.711 21.929 18.097 1.00 0.00 H new ATOM 0 HG2 GLN A 35 20.151 20.941 19.626 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.494 20.044 18.272 1.00 0.00 H new ATOM 0 HE21 GLN A 35 22.135 20.992 18.114 1.00 0.00 H new ATOM 0 HE22 GLN A 35 22.200 22.298 16.926 1.00 0.00 H new ATOM 569 N SER A 36 15.983 23.661 20.676 1.00 0.00 N ATOM 570 CA SER A 36 14.856 24.611 20.669 1.00 0.00 C ATOM 571 C SER A 36 15.153 25.968 21.341 1.00 0.00 C ATOM 572 O SER A 36 14.287 26.842 21.319 1.00 0.00 O ATOM 573 CB SER A 36 13.629 23.976 21.334 1.00 0.00 C ATOM 574 OG SER A 36 13.272 22.768 20.684 1.00 0.00 O ATOM 0 H SER A 36 15.909 22.960 21.413 1.00 0.00 H new ATOM 0 HA SER A 36 14.667 24.827 19.617 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.840 23.780 22.385 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.791 24.673 21.302 1.00 0.00 H new ATOM 0 HG SER A 36 12.488 22.379 21.125 1.00 0.00 H new ATOM 580 N ALA A 37 16.328 26.171 21.953 1.00 0.00 N ATOM 581 CA ALA A 37 16.683 27.452 22.578 1.00 0.00 C ATOM 582 C ALA A 37 16.965 28.581 21.555 1.00 0.00 C ATOM 583 O ALA A 37 17.315 28.327 20.401 1.00 0.00 O ATOM 584 CB ALA A 37 17.873 27.231 23.517 1.00 0.00 C ATOM 0 H ALA A 37 17.054 25.458 22.028 1.00 0.00 H new ATOM 0 HA ALA A 37 15.820 27.798 23.147 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.146 28.176 23.987 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.600 26.508 24.286 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.721 26.851 22.947 1.00 0.00 H new ATOM 590 N HIS A 38 16.858 29.838 22.007 1.00 0.00 N ATOM 591 CA HIS A 38 17.097 31.067 21.224 1.00 0.00 C ATOM 592 C HIS A 38 17.809 32.135 22.067 1.00 0.00 C ATOM 593 O HIS A 38 17.792 32.061 23.293 1.00 0.00 O ATOM 594 CB HIS A 38 15.761 31.624 20.704 1.00 0.00 C ATOM 595 CG HIS A 38 15.095 30.742 19.684 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.466 30.655 18.342 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.069 29.878 19.923 1.00 0.00 C ATOM 598 CE1 HIS A 38 14.668 29.714 17.808 1.00 0.00 C ATOM 599 NE2 HIS A 38 13.812 29.245 18.729 1.00 0.00 N ATOM 0 H HIS A 38 16.591 30.039 22.971 1.00 0.00 H new ATOM 0 HA HIS A 38 17.741 30.811 20.382 1.00 0.00 H new ATOM 0 HB2 HIS A 38 15.084 31.766 21.546 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.933 32.607 20.265 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.559 29.721 20.862 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.710 29.382 16.781 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.093 28.539 18.571 1.00 0.00 H new ATOM 607 N GLY A 39 18.403 33.150 21.431 1.00 0.00 N ATOM 608 CA GLY A 39 19.041 34.277 22.126 1.00 0.00 C ATOM 609 C GLY A 39 19.347 35.477 21.224 1.00 0.00 C ATOM 610 O GLY A 39 19.162 35.400 20.010 1.00 0.00 O ATOM 0 H GLY A 39 18.456 33.215 20.414 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.392 34.603 22.938 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.970 33.931 22.580 1.00 0.00 H new ATOM 614 N TYR A 40 19.811 36.587 21.804 1.00 0.00 N ATOM 615 CA TYR A 40 20.080 37.855 21.103 1.00 0.00 C ATOM 616 C TYR A 40 21.267 38.642 21.688 1.00 0.00 C ATOM 617 O TYR A 40 21.787 38.310 22.754 1.00 0.00 O ATOM 618 CB TYR A 40 18.795 38.696 21.051 1.00 0.00 C ATOM 619 CG TYR A 40 18.330 39.363 22.339 1.00 0.00 C ATOM 620 CD1 TYR A 40 17.566 38.644 23.278 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.575 40.733 22.560 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.047 39.287 24.422 1.00 0.00 C ATOM 623 CE2 TYR A 40 18.057 41.379 23.700 1.00 0.00 C ATOM 624 CZ TYR A 40 17.289 40.659 24.637 1.00 0.00 C ATOM 625 OH TYR A 40 16.759 41.303 25.713 1.00 0.00 O ATOM 0 H TYR A 40 20.017 36.635 22.802 1.00 0.00 H new ATOM 0 HA TYR A 40 20.387 37.610 20.086 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.935 39.475 20.302 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.989 38.054 20.696 1.00 0.00 H new ATOM 0 HD1 TYR A 40 17.376 37.592 23.122 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.165 41.293 21.849 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.462 38.726 25.136 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.249 42.430 23.856 1.00 0.00 H new ATOM 0 HH TYR A 40 17.033 42.244 25.699 1.00 0.00 H new ATOM 635 N CYS A 41 21.720 39.674 20.969 1.00 0.00 N ATOM 636 CA CYS A 41 22.884 40.502 21.330 1.00 0.00 C ATOM 637 C CYS A 41 22.508 41.599 22.350 1.00 0.00 C ATOM 638 O CYS A 41 22.610 42.791 22.057 1.00 0.00 O ATOM 639 CB CYS A 41 23.537 41.085 20.057 1.00 0.00 C ATOM 640 SG CYS A 41 24.264 39.872 18.919 1.00 0.00 S ATOM 0 H CYS A 41 21.279 39.967 20.097 1.00 0.00 H new ATOM 0 HA CYS A 41 23.621 39.868 21.823 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.785 41.659 19.515 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.316 41.785 20.359 1.00 0.00 H new ATOM 645 N TYR A 42 22.026 41.209 23.534 1.00 0.00 N ATOM 646 CA TYR A 42 21.654 42.132 24.619 1.00 0.00 C ATOM 647 C TYR A 42 22.872 42.952 25.070 1.00 0.00 C ATOM 648 O TYR A 42 23.840 42.383 25.579 1.00 0.00 O ATOM 649 CB TYR A 42 21.081 41.322 25.797 1.00 0.00 C ATOM 650 CG TYR A 42 20.903 42.083 27.104 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.055 43.209 27.167 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.601 41.668 28.259 1.00 0.00 C ATOM 653 CE1 TYR A 42 19.934 43.934 28.371 1.00 0.00 C ATOM 654 CE2 TYR A 42 21.485 42.394 29.461 1.00 0.00 C ATOM 655 CZ TYR A 42 20.659 43.537 29.517 1.00 0.00 C ATOM 656 OH TYR A 42 20.551 44.236 30.681 1.00 0.00 O ATOM 0 H TYR A 42 21.880 40.228 23.773 1.00 0.00 H new ATOM 0 HA TYR A 42 20.897 42.828 24.258 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.113 40.919 25.499 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.737 40.471 25.981 1.00 0.00 H new ATOM 0 HD1 TYR A 42 19.499 43.516 26.294 1.00 0.00 H new ATOM 0 HD2 TYR A 42 22.227 40.789 28.221 1.00 0.00 H new ATOM 0 HE1 TYR A 42 19.285 44.796 28.417 1.00 0.00 H new ATOM 0 HE2 TYR A 42 22.028 42.076 30.339 1.00 0.00 H new ATOM 0 HH TYR A 42 21.118 43.822 31.365 1.00 0.00 H new ATOM 666 N ALA A 43 22.845 44.273 24.873 1.00 0.00 N ATOM 667 CA ALA A 43 23.928 45.178 25.277 1.00 0.00 C ATOM 668 C ALA A 43 25.327 44.653 24.859 1.00 0.00 C ATOM 669 O ALA A 43 26.246 44.521 25.674 1.00 0.00 O ATOM 670 CB ALA A 43 23.774 45.501 26.770 1.00 0.00 C ATOM 0 H ALA A 43 22.063 44.750 24.424 1.00 0.00 H new ATOM 0 HA ALA A 43 23.847 46.120 24.735 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.574 46.173 27.081 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.810 45.980 26.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.829 44.579 27.349 1.00 0.00 H new ATOM 676 N PHE A 44 25.470 44.332 23.565 1.00 0.00 N ATOM 677 CA PHE A 44 26.717 43.919 22.900 1.00 0.00 C ATOM 678 C PHE A 44 27.307 42.550 23.320 1.00 0.00 C ATOM 679 O PHE A 44 28.467 42.256 23.013 1.00 0.00 O ATOM 680 CB PHE A 44 27.749 45.069 22.914 1.00 0.00 C ATOM 681 CG PHE A 44 27.192 46.430 22.541 1.00 0.00 C ATOM 682 CD1 PHE A 44 26.781 47.333 23.543 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.042 46.771 21.186 1.00 0.00 C ATOM 684 CE1 PHE A 44 26.187 48.558 23.188 1.00 0.00 C ATOM 685 CE2 PHE A 44 26.470 48.005 20.834 1.00 0.00 C ATOM 686 CZ PHE A 44 26.030 48.892 21.832 1.00 0.00 C ATOM 0 H PHE A 44 24.680 44.354 22.920 1.00 0.00 H new ATOM 0 HA PHE A 44 26.432 43.720 21.867 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.188 45.132 23.910 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.557 44.822 22.225 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.922 47.084 24.584 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.366 46.086 20.417 1.00 0.00 H new ATOM 0 HE1 PHE A 44 25.853 49.240 23.956 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.368 48.273 19.793 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.571 49.830 21.557 1.00 0.00 H new ATOM 696 N ALA A 45 26.529 41.677 23.973 1.00 0.00 N ATOM 697 CA ALA A 45 26.923 40.289 24.258 1.00 0.00 C ATOM 698 C ALA A 45 25.722 39.319 24.271 1.00 0.00 C ATOM 699 O ALA A 45 24.581 39.719 24.505 1.00 0.00 O ATOM 700 CB ALA A 45 27.737 40.261 25.559 1.00 0.00 C ATOM 0 H ALA A 45 25.601 41.915 24.322 1.00 0.00 H new ATOM 0 HA ALA A 45 27.554 39.925 23.447 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.035 39.236 25.780 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.627 40.880 25.445 1.00 0.00 H new ATOM 0 HB3 ALA A 45 27.129 40.647 26.377 1.00 0.00 H new ATOM 706 N CYS A 46 25.950 38.034 23.991 1.00 0.00 N ATOM 707 CA CYS A 46 24.856 37.083 23.764 1.00 0.00 C ATOM 708 C CYS A 46 24.096 36.646 25.031 1.00 0.00 C ATOM 709 O CYS A 46 24.678 36.198 26.021 1.00 0.00 O ATOM 710 CB CYS A 46 25.358 35.860 23.000 1.00 0.00 C ATOM 711 SG CYS A 46 25.804 36.131 21.269 1.00 0.00 S ATOM 0 H CYS A 46 26.882 37.627 23.916 1.00 0.00 H new ATOM 0 HA CYS A 46 24.127 37.630 23.166 1.00 0.00 H new ATOM 0 HB2 CYS A 46 26.230 35.464 23.521 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.587 35.091 23.039 1.00 0.00 H new ATOM 716 N TRP A 47 22.765 36.681 24.938 1.00 0.00 N ATOM 717 CA TRP A 47 21.812 36.401 26.013 1.00 0.00 C ATOM 718 C TRP A 47 20.670 35.505 25.504 1.00 0.00 C ATOM 719 O TRP A 47 19.996 35.850 24.534 1.00 0.00 O ATOM 720 CB TRP A 47 21.300 37.756 26.510 1.00 0.00 C ATOM 721 CG TRP A 47 20.281 37.725 27.599 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.946 37.825 27.418 1.00 0.00 C ATOM 723 CD2 TRP A 47 20.481 37.568 29.037 1.00 0.00 C ATOM 724 NE1 TRP A 47 18.309 37.754 28.637 1.00 0.00 N ATOM 725 CE2 TRP A 47 19.204 37.578 29.669 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.608 37.427 29.876 1.00 0.00 C ATOM 727 CZ2 TRP A 47 19.049 37.446 31.054 1.00 0.00 C ATOM 728 CZ3 TRP A 47 21.460 37.274 31.269 1.00 0.00 C ATOM 729 CH2 TRP A 47 20.184 37.288 31.860 1.00 0.00 C ATOM 0 H TRP A 47 22.298 36.918 24.063 1.00 0.00 H new ATOM 0 HA TRP A 47 22.282 35.856 26.831 1.00 0.00 H new ATOM 0 HB2 TRP A 47 22.154 38.336 26.859 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.876 38.292 25.661 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.454 37.943 26.464 1.00 0.00 H new ATOM 0 HE1 TRP A 47 17.299 37.823 28.760 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.598 37.437 29.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 18.064 37.466 31.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 22.335 37.145 31.889 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.080 37.178 32.929 1.00 0.00 H new ATOM 740 N CYS A 48 20.479 34.339 26.119 1.00 0.00 N ATOM 741 CA CYS A 48 19.447 33.356 25.783 1.00 0.00 C ATOM 742 C CYS A 48 18.078 33.694 26.402 1.00 0.00 C ATOM 743 O CYS A 48 17.993 34.235 27.505 1.00 0.00 O ATOM 744 CB CYS A 48 19.891 31.975 26.273 1.00 0.00 C ATOM 745 SG CYS A 48 21.279 31.172 25.429 1.00 0.00 S ATOM 0 H CYS A 48 21.064 34.039 26.899 1.00 0.00 H new ATOM 0 HA CYS A 48 19.327 33.369 24.700 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.149 32.063 27.328 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.032 31.307 26.210 1.00 0.00 H new ATOM 750 N THR A 49 17.000 33.289 25.725 1.00 0.00 N ATOM 751 CA THR A 49 15.598 33.553 26.091 1.00 0.00 C ATOM 752 C THR A 49 14.742 32.284 26.030 1.00 0.00 C ATOM 753 O THR A 49 15.081 31.338 25.319 1.00 0.00 O ATOM 754 CB THR A 49 14.983 34.643 25.191 1.00 0.00 C ATOM 755 OG1 THR A 49 14.997 34.278 23.826 1.00 0.00 O ATOM 756 CG2 THR A 49 15.712 35.980 25.304 1.00 0.00 C ATOM 0 H THR A 49 17.080 32.743 24.867 1.00 0.00 H new ATOM 0 HA THR A 49 15.605 33.908 27.122 1.00 0.00 H new ATOM 0 HB THR A 49 13.958 34.747 25.547 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.597 34.995 23.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.237 36.710 24.649 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.667 36.333 26.334 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.754 35.852 25.009 1.00 0.00 H new ATOM 764 N HIS A 50 13.598 32.286 26.723 1.00 0.00 N ATOM 765 CA HIS A 50 12.599 31.195 26.739 1.00 0.00 C ATOM 766 C HIS A 50 13.072 29.861 27.357 1.00 0.00 C ATOM 767 O HIS A 50 12.425 28.827 27.167 1.00 0.00 O ATOM 768 CB HIS A 50 11.968 31.000 25.341 1.00 0.00 C ATOM 769 CG HIS A 50 11.771 32.262 24.532 1.00 0.00 C ATOM 770 ND1 HIS A 50 11.076 33.397 24.951 1.00 0.00 N ATOM 771 CD2 HIS A 50 12.200 32.467 23.250 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.125 34.268 23.932 1.00 0.00 C ATOM 773 NE2 HIS A 50 11.784 33.733 22.892 1.00 0.00 N ATOM 0 H HIS A 50 13.326 33.073 27.312 1.00 0.00 H new ATOM 0 HA HIS A 50 11.828 31.534 27.431 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.598 30.318 24.770 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.000 30.513 25.463 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.756 31.773 22.637 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.695 35.259 23.946 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.949 34.184 21.992 1.00 0.00 H new ATOM 781 N LEU A 51 14.196 29.864 28.081 1.00 0.00 N ATOM 782 CA LEU A 51 14.822 28.677 28.676 1.00 0.00 C ATOM 783 C LEU A 51 14.031 28.111 29.866 1.00 0.00 C ATOM 784 O LEU A 51 13.239 28.814 30.494 1.00 0.00 O ATOM 785 CB LEU A 51 16.250 29.007 29.158 1.00 0.00 C ATOM 786 CG LEU A 51 17.252 29.525 28.114 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.581 29.790 28.829 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.503 28.518 26.993 1.00 0.00 C ATOM 0 H LEU A 51 14.713 30.721 28.276 1.00 0.00 H new ATOM 0 HA LEU A 51 14.840 27.922 27.890 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.173 29.753 29.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.669 28.107 29.608 1.00 0.00 H new ATOM 0 HG LEU A 51 16.836 30.426 27.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.313 30.159 28.111 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.431 30.535 29.611 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.945 28.864 29.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.218 28.934 26.283 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.905 27.597 27.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.566 28.303 26.480 1.00 0.00 H new ATOM 800 N TYR A 52 14.326 26.860 30.222 1.00 0.00 N ATOM 801 CA TYR A 52 13.890 26.217 31.469 1.00 0.00 C ATOM 802 C TYR A 52 14.340 26.961 32.745 1.00 0.00 C ATOM 803 O TYR A 52 15.161 27.883 32.704 1.00 0.00 O ATOM 804 CB TYR A 52 14.392 24.758 31.479 1.00 0.00 C ATOM 805 CG TYR A 52 15.862 24.450 31.192 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.202 23.130 30.819 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.893 25.411 31.316 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.545 22.764 30.594 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.238 25.048 31.107 1.00 0.00 C ATOM 810 CZ TYR A 52 18.568 23.722 30.762 1.00 0.00 C ATOM 811 OH TYR A 52 19.875 23.368 30.643 1.00 0.00 O ATOM 0 H TYR A 52 14.891 26.246 29.636 1.00 0.00 H new ATOM 0 HA TYR A 52 12.801 26.248 31.488 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.160 24.343 32.460 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.798 24.206 30.751 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.422 22.391 30.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.647 26.431 31.573 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.790 21.756 30.295 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.018 25.788 31.211 1.00 0.00 H new ATOM 0 HH TYR A 52 20.441 24.154 30.789 1.00 0.00 H new ATOM 821 N GLU A 53 13.857 26.531 33.915 1.00 0.00 N ATOM 822 CA GLU A 53 14.304 27.086 35.200 1.00 0.00 C ATOM 823 C GLU A 53 15.805 26.838 35.492 1.00 0.00 C ATOM 824 O GLU A 53 16.367 27.528 36.338 1.00 0.00 O ATOM 825 CB GLU A 53 13.415 26.582 36.352 1.00 0.00 C ATOM 826 CG GLU A 53 11.922 26.941 36.241 1.00 0.00 C ATOM 827 CD GLU A 53 11.626 28.442 36.393 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.720 28.981 37.518 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.267 29.114 35.397 1.00 0.00 O1- ATOM 0 H GLU A 53 13.154 25.797 34.000 1.00 0.00 H new ATOM 0 HA GLU A 53 14.195 28.168 35.122 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.507 25.497 36.411 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.800 26.986 37.288 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.549 26.604 35.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.370 26.393 37.004 1.00 0.00 H new ATOM 836 N GLN A 54 16.483 25.932 34.770 1.00 0.00 N ATOM 837 CA GLN A 54 17.925 25.641 34.927 1.00 0.00 C ATOM 838 C GLN A 54 18.879 26.578 34.136 1.00 0.00 C ATOM 839 O GLN A 54 20.040 26.231 33.893 1.00 0.00 O ATOM 840 CB GLN A 54 18.189 24.158 34.612 1.00 0.00 C ATOM 841 CG GLN A 54 17.439 23.178 35.522 1.00 0.00 C ATOM 842 CD GLN A 54 16.086 22.751 34.963 1.00 0.00 C ATOM 843 OE1 GLN A 54 15.997 22.036 33.972 1.00 0.00 O ATOM 844 NE2 GLN A 54 14.989 23.142 35.565 1.00 0.00 N ATOM 0 H GLN A 54 16.039 25.368 34.045 1.00 0.00 H new ATOM 0 HA GLN A 54 18.165 25.849 35.970 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.908 23.963 33.577 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.259 23.966 34.694 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.056 22.293 35.678 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.292 23.640 36.498 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.045 23.737 36.391 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.079 22.851 35.207 1.00 0.00 H new ATOM 853 N ALA A 55 18.415 27.754 33.702 1.00 0.00 N ATOM 854 CA ALA A 55 19.226 28.753 32.988 1.00 0.00 C ATOM 855 C ALA A 55 20.389 29.321 33.839 1.00 0.00 C ATOM 856 O ALA A 55 20.309 29.342 35.070 1.00 0.00 O ATOM 857 CB ALA A 55 18.286 29.866 32.513 1.00 0.00 C ATOM 0 H ALA A 55 17.447 28.047 33.838 1.00 0.00 H new ATOM 0 HA ALA A 55 19.710 28.268 32.140 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.860 30.623 31.979 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.532 29.446 31.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.797 30.321 33.374 1.00 0.00 H new ATOM 863 N VAL A 56 21.453 29.831 33.201 1.00 0.00 N ATOM 864 CA VAL A 56 22.676 30.347 33.863 1.00 0.00 C ATOM 865 C VAL A 56 22.914 31.834 33.554 1.00 0.00 C ATOM 866 O VAL A 56 22.888 32.237 32.396 1.00 0.00 O ATOM 867 CB VAL A 56 23.899 29.487 33.469 1.00 0.00 C ATOM 868 CG1 VAL A 56 25.202 29.989 34.102 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.711 28.025 33.904 1.00 0.00 C ATOM 0 H VAL A 56 21.495 29.901 32.184 1.00 0.00 H new ATOM 0 HA VAL A 56 22.531 30.272 34.941 1.00 0.00 H new ATOM 0 HB VAL A 56 23.971 29.564 32.384 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.028 29.349 33.792 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.394 31.012 33.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.112 29.964 35.188 1.00 0.00 H new ATOM 0 HG21 VAL A 56 24.586 27.444 33.614 1.00 0.00 H new ATOM 0 HG22 VAL A 56 23.588 27.980 34.986 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.825 27.613 33.421 1.00 0.00 H new ATOM 879 N VAL A 57 23.172 32.666 34.571 1.00 0.00 N ATOM 880 CA VAL A 57 23.524 34.102 34.429 1.00 0.00 C ATOM 881 C VAL A 57 25.043 34.356 34.497 1.00 0.00 C ATOM 882 O VAL A 57 25.818 33.447 34.792 1.00 0.00 O ATOM 883 CB VAL A 57 22.757 34.977 35.439 1.00 0.00 C ATOM 884 CG1 VAL A 57 21.264 35.017 35.102 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.937 34.522 36.894 1.00 0.00 C ATOM 0 H VAL A 57 23.143 32.360 35.544 1.00 0.00 H new ATOM 0 HA VAL A 57 23.209 34.397 33.428 1.00 0.00 H new ATOM 0 HB VAL A 57 23.186 35.975 35.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.744 35.641 35.829 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.127 35.432 34.104 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.857 34.006 35.133 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.371 35.180 37.554 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.574 33.500 37.003 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.993 34.563 37.160 1.00 0.00 H new ATOM 895 N TRP A 58 25.497 35.585 34.207 1.00 0.00 N ATOM 896 CA TRP A 58 26.924 35.889 34.017 1.00 0.00 C ATOM 897 C TRP A 58 27.821 35.840 35.273 1.00 0.00 C ATOM 898 O TRP A 58 29.003 35.542 35.087 1.00 0.00 O ATOM 899 CB TRP A 58 27.103 37.227 33.282 1.00 0.00 C ATOM 900 CG TRP A 58 26.715 38.436 34.067 1.00 0.00 C ATOM 901 CD1 TRP A 58 27.553 39.203 34.799 1.00 0.00 C ATOM 902 CD2 TRP A 58 25.379 38.976 34.292 1.00 0.00 C ATOM 903 NE1 TRP A 58 26.827 40.156 35.482 1.00 0.00 N ATOM 904 CE2 TRP A 58 25.474 40.010 35.268 1.00 0.00 C ATOM 905 CE3 TRP A 58 24.093 38.669 33.801 1.00 0.00 C ATOM 906 CZ2 TRP A 58 24.341 40.652 35.779 1.00 0.00 C ATOM 907 CZ3 TRP A 58 22.948 39.329 34.289 1.00 0.00 C ATOM 908 CH2 TRP A 58 23.070 40.307 35.290 1.00 0.00 C ATOM 0 H TRP A 58 24.887 36.395 34.098 1.00 0.00 H new ATOM 0 HA TRP A 58 27.282 35.059 33.407 1.00 0.00 H new ATOM 0 HB2 TRP A 58 28.147 37.325 32.986 1.00 0.00 H new ATOM 0 HB3 TRP A 58 26.513 37.203 32.366 1.00 0.00 H new ATOM 0 HD1 TRP A 58 28.626 39.087 34.842 1.00 0.00 H new ATOM 0 HE1 TRP A 58 27.240 40.878 36.072 1.00 0.00 H new ATOM 0 HE3 TRP A 58 23.984 37.914 33.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 24.443 41.408 36.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 21.974 39.082 33.893 1.00 0.00 H new ATOM 0 HH2 TRP A 58 22.189 40.792 35.683 1.00 0.00 H new ATOM 919 N PRO A 59 27.369 36.090 36.523 1.00 0.00 N ATOM 920 CA PRO A 59 28.247 35.990 37.688 1.00 0.00 C ATOM 921 C PRO A 59 28.567 34.527 38.014 1.00 0.00 C ATOM 922 O PRO A 59 27.660 33.734 38.298 1.00 0.00 O ATOM 923 CB PRO A 59 27.531 36.699 38.849 1.00 0.00 C ATOM 924 CG PRO A 59 26.478 37.554 38.152 1.00 0.00 C ATOM 925 CD PRO A 59 26.115 36.687 36.952 1.00 0.00 C ATOM 0 HA PRO A 59 29.208 36.466 37.496 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.077 35.985 39.536 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.221 37.309 39.433 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.617 37.746 38.793 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.873 38.524 37.851 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.387 35.923 37.224 1.00 0.00 H new ATOM 0 HD3 PRO A 59 25.669 37.283 36.156 1.00 0.00 H new ATOM 933 N LEU A 60 29.850 34.163 37.980 1.00 0.00 N ATOM 934 CA LEU A 60 30.349 32.856 38.430 1.00 0.00 C ATOM 935 C LEU A 60 30.926 32.980 39.854 1.00 0.00 C ATOM 936 O LEU A 60 31.727 33.893 40.086 1.00 0.00 O ATOM 937 CB LEU A 60 31.427 32.333 37.462 1.00 0.00 C ATOM 938 CG LEU A 60 30.966 31.578 36.204 1.00 0.00 C ATOM 939 CD1 LEU A 60 30.175 30.314 36.541 1.00 0.00 C ATOM 940 CD2 LEU A 60 30.133 32.427 35.247 1.00 0.00 C ATOM 0 H LEU A 60 30.587 34.777 37.633 1.00 0.00 H new ATOM 0 HA LEU A 60 29.522 32.146 38.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 32.026 33.184 37.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.088 31.673 38.024 1.00 0.00 H new ATOM 0 HG LEU A 60 31.896 31.310 35.703 1.00 0.00 H new ATOM 0 HD11 LEU A 60 29.873 29.817 35.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 30.799 29.640 37.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.289 30.582 37.116 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.845 31.826 34.384 1.00 0.00 H new ATOM 0 HD22 LEU A 60 29.238 32.780 35.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 30.721 33.282 34.914 1.00 0.00 H new ATOM 952 N PRO A 61 30.600 32.081 40.799 1.00 0.00 N ATOM 953 CA PRO A 61 31.077 32.178 42.179 1.00 0.00 C ATOM 954 C PRO A 61 32.589 31.945 42.337 1.00 0.00 C ATOM 955 O PRO A 61 33.160 32.443 43.310 1.00 0.00 O ATOM 956 CB PRO A 61 30.250 31.156 42.965 1.00 0.00 C ATOM 957 CG PRO A 61 29.840 30.126 41.919 1.00 0.00 C ATOM 958 CD PRO A 61 29.683 30.963 40.651 1.00 0.00 C ATOM 0 HA PRO A 61 30.943 33.193 42.554 1.00 0.00 H new ATOM 0 HB2 PRO A 61 30.834 30.701 43.765 1.00 0.00 H new ATOM 0 HB3 PRO A 61 29.380 31.620 43.430 1.00 0.00 H new ATOM 0 HG2 PRO A 61 30.596 29.350 41.799 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.910 29.625 42.189 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.921 30.377 39.763 1.00 0.00 H new ATOM 0 HD3 PRO A 61 28.657 31.312 40.537 1.00 0.00 H new ATOM 966 N ASN A 62 33.241 31.235 41.404 1.00 0.00 N ATOM 967 CA ASN A 62 34.682 30.953 41.422 1.00 0.00 C ATOM 968 C ASN A 62 35.342 31.088 40.029 1.00 0.00 C ATOM 969 O ASN A 62 36.400 31.710 39.925 1.00 0.00 O ATOM 970 CB ASN A 62 34.884 29.574 42.091 1.00 0.00 C ATOM 971 CG ASN A 62 36.188 28.888 41.718 1.00 0.00 C ATOM 972 OD1 ASN A 62 37.275 29.442 41.823 1.00 0.00 O ATOM 973 ND2 ASN A 62 36.107 27.684 41.204 1.00 0.00 N ATOM 0 H ASN A 62 32.767 30.831 40.596 1.00 0.00 H new ATOM 0 HA ASN A 62 35.204 31.707 42.012 1.00 0.00 H new ATOM 0 HB2 ASN A 62 34.848 29.699 43.173 1.00 0.00 H new ATOM 0 HB3 ASN A 62 34.053 28.924 41.817 1.00 0.00 H new ATOM 0 HD21 ASN A 62 36.951 27.206 40.890 1.00 0.00 H new ATOM 0 HD22 ASN A 62 35.200 27.226 41.118 1.00 0.00 H new ATOM 980 N LYS A 63 34.751 30.551 38.951 1.00 0.00 N ATOM 981 CA LYS A 63 35.311 30.624 37.579 1.00 0.00 C ATOM 982 C LYS A 63 35.496 32.078 37.093 1.00 0.00 C ATOM 983 O LYS A 63 34.593 32.897 37.271 1.00 0.00 O ATOM 984 CB LYS A 63 34.425 29.818 36.606 1.00 0.00 C ATOM 985 CG LYS A 63 34.905 28.383 36.327 1.00 0.00 C ATOM 986 CD LYS A 63 34.968 27.493 37.574 1.00 0.00 C ATOM 987 CE LYS A 63 35.380 26.066 37.195 1.00 0.00 C ATOM 988 NZ LYS A 63 35.672 25.265 38.403 1.00 0.00 N1+ ATOM 0 H LYS A 63 33.865 30.049 39.000 1.00 0.00 H new ATOM 0 HA LYS A 63 36.307 30.181 37.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.414 29.775 37.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 34.367 30.356 35.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.238 27.923 35.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 35.895 28.424 35.872 1.00 0.00 H new ATOM 0 HD2 LYS A 63 35.681 27.906 38.287 1.00 0.00 H new ATOM 0 HD3 LYS A 63 33.996 27.478 38.067 1.00 0.00 H new ATOM 0 HE2 LYS A 63 34.582 25.592 36.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.259 26.095 36.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 35.949 24.302 38.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 36.449 25.708 38.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 34.824 25.220 39.003 1.00 0.00 H new ATOM 1002 N ARG A 64 36.643 32.402 36.474 1.00 0.00 N ATOM 1003 CA ARG A 64 37.015 33.751 35.985 1.00 0.00 C ATOM 1004 C ARG A 64 38.131 33.698 34.922 1.00 0.00 C ATOM 1005 O ARG A 64 39.301 33.490 35.257 1.00 0.00 O ATOM 1006 CB ARG A 64 37.433 34.613 37.193 1.00 0.00 C ATOM 1007 CG ARG A 64 37.516 36.112 36.847 1.00 0.00 C ATOM 1008 CD ARG A 64 37.542 37.006 38.096 1.00 0.00 C ATOM 1009 NE ARG A 64 36.320 36.835 38.900 1.00 0.00 N ATOM 1010 CZ ARG A 64 36.110 37.243 40.136 1.00 0.00 C ATOM 1011 NH1 ARG A 64 36.920 38.032 40.781 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 35.061 36.803 40.756 1.00 0.00 N ATOM 0 H ARG A 64 37.368 31.709 36.291 1.00 0.00 H new ATOM 0 HA ARG A 64 36.152 34.198 35.493 1.00 0.00 H new ATOM 0 HB2 ARG A 64 36.718 34.469 38.003 1.00 0.00 H new ATOM 0 HB3 ARG A 64 38.402 34.274 37.560 1.00 0.00 H new ATOM 0 HG2 ARG A 64 38.413 36.295 36.255 1.00 0.00 H new ATOM 0 HG3 ARG A 64 36.663 36.386 36.227 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.415 36.764 38.701 1.00 0.00 H new ATOM 0 HD3 ARG A 64 37.641 38.050 37.797 1.00 0.00 H new ATOM 0 HE ARG A 64 35.548 36.345 38.449 1.00 0.00 H new ATOM 0 HH11 ARG A 64 37.771 38.368 40.330 1.00 0.00 H new ATOM 0 HH12 ARG A 64 36.704 38.314 41.737 1.00 0.00 H new ATOM 0 HH21 ARG A 64 34.424 36.159 40.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.872 37.101 41.713 1.00 0.00 H new ATOM 1026 N CYS A 65 37.790 33.892 33.646 1.00 0.00 N ATOM 1027 CA CYS A 65 38.752 33.818 32.532 1.00 0.00 C ATOM 1028 C CYS A 65 39.680 35.047 32.435 1.00 0.00 C ATOM 1029 O CYS A 65 39.270 36.168 32.764 1.00 0.00 O ATOM 1030 CB CYS A 65 38.014 33.623 31.198 1.00 0.00 C ATOM 1031 SG CYS A 65 37.295 31.978 30.940 1.00 0.00 S ATOM 0 H CYS A 65 36.838 34.106 33.350 1.00 0.00 H new ATOM 0 HA CYS A 65 39.387 32.957 32.741 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.217 34.364 31.131 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.709 33.829 30.384 1.00 0.00 H new ATOM 1036 N LYS A 66 40.909 34.846 31.932 1.00 0.00 N ATOM 1037 CA LYS A 66 41.831 35.934 31.546 1.00 0.00 C ATOM 1038 C LYS A 66 41.467 36.498 30.165 1.00 0.00 C ATOM 1039 O LYS A 66 40.883 35.807 29.334 1.00 0.00 O ATOM 1040 CB LYS A 66 43.309 35.485 31.600 1.00 0.00 C ATOM 1041 CG LYS A 66 43.673 34.332 30.644 1.00 0.00 C ATOM 1042 CD LYS A 66 45.168 34.299 30.294 1.00 0.00 C ATOM 1043 CE LYS A 66 45.417 33.226 29.226 1.00 0.00 C ATOM 1044 NZ LYS A 66 46.734 33.383 28.569 1.00 0.00 N1+ ATOM 0 H LYS A 66 41.297 33.915 31.779 1.00 0.00 H new ATOM 0 HA LYS A 66 41.716 36.734 32.277 1.00 0.00 H new ATOM 0 HB2 LYS A 66 43.942 36.342 31.370 1.00 0.00 H new ATOM 0 HB3 LYS A 66 43.544 35.180 32.620 1.00 0.00 H new ATOM 0 HG2 LYS A 66 43.391 33.384 31.101 1.00 0.00 H new ATOM 0 HG3 LYS A 66 43.092 34.429 29.727 1.00 0.00 H new ATOM 0 HD2 LYS A 66 45.489 35.274 29.927 1.00 0.00 H new ATOM 0 HD3 LYS A 66 45.757 34.084 31.186 1.00 0.00 H new ATOM 0 HE2 LYS A 66 45.358 32.239 29.685 1.00 0.00 H new ATOM 0 HE3 LYS A 66 44.630 33.276 28.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 46.857 32.636 27.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 46.783 34.314 28.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 47.488 33.309 29.281 1.00 0.00 H new HETATM 1058 N NH2 A 67 41.828 37.733 29.876 1.00 0.00 N TER 1061 NH2 A 67