USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-1.4) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.143 X(o=-0.25,f=-0.0059) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.104 X(o=-0.25,f=-0.0059) USER MOD Single : A 10 ASN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 84:sc= 0.604 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.02 K(o=1,f=-2.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 95:sc= -2.09 USER MOD Single : A 38 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00681) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -30:sc= -2.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 123:sc= -0.797 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -3.162 12.869 4.543 1.00 4.50 N ATOM 2 CA ASN A 10 -2.401 11.845 3.837 1.00 32.10 C ATOM 3 C ASN A 10 -2.720 10.457 4.384 1.00 34.10 C ATOM 4 O ASN A 10 -2.748 9.477 3.639 1.00 41.30 O ATOM 5 CB ASN A 10 -0.901 12.120 3.956 1.00 54.00 C ATOM 6 CG ASN A 10 -0.547 13.553 3.611 1.00 62.50 C ATOM 7 OD1 ASN A 10 -0.305 13.883 2.450 1.00 70.10 O ATOM 8 ND2 ASN A 10 -0.515 14.415 4.621 1.00 55.10 N ATOM 0 HA ASN A 10 -2.686 11.877 2.785 1.00 32.10 H new ATOM 0 HB2 ASN A 10 -0.574 11.903 4.973 1.00 54.00 H new ATOM 0 HB3 ASN A 10 -0.357 11.445 3.295 1.00 54.00 H new ATOM 0 HD21 ASN A 10 -0.283 15.393 4.449 1.00 55.10 H new ATOM 0 HD22 ASN A 10 -0.722 14.099 5.568 1.00 55.10 H new ATOM 15 N LEU A 11 -2.961 10.381 5.689 1.00 32.20 N ATOM 16 CA LEU A 11 -3.278 9.113 6.335 1.00 44.10 C ATOM 17 C LEU A 11 -4.655 8.615 5.909 1.00 74.30 C ATOM 18 O LEU A 11 -4.872 7.413 5.757 1.00 43.30 O ATOM 19 CB LEU A 11 -3.225 9.265 7.856 1.00 21.50 C ATOM 20 CG LEU A 11 -3.433 7.971 8.644 1.00 32.00 C ATOM 21 CD1 LEU A 11 -2.127 7.200 8.758 1.00 4.23 C ATOM 22 CD2 LEU A 11 -3.999 8.273 10.024 1.00 54.20 C ATOM 0 H LEU A 11 -2.943 11.183 6.319 1.00 32.20 H new ATOM 0 HA LEU A 11 -2.534 8.379 6.024 1.00 44.10 H new ATOM 0 HB2 LEU A 11 -2.258 9.688 8.130 1.00 21.50 H new ATOM 0 HB3 LEU A 11 -3.985 9.984 8.161 1.00 21.50 H new ATOM 0 HG LEU A 11 -4.151 7.351 8.106 1.00 32.00 H new ATOM 0 HD11 LEU A 11 -2.294 6.282 9.322 1.00 4.23 H new ATOM 0 HD12 LEU A 11 -1.763 6.952 7.761 1.00 4.23 H new ATOM 0 HD13 LEU A 11 -1.387 7.812 9.273 1.00 4.23 H new ATOM 0 HD21 LEU A 11 -4.141 7.341 10.571 1.00 54.20 H new ATOM 0 HD22 LEU A 11 -3.305 8.912 10.570 1.00 54.20 H new ATOM 0 HD23 LEU A 11 -4.957 8.782 9.921 1.00 54.20 H new ATOM 34 N GLN A 12 -5.583 9.547 5.719 1.00 40.20 N ATOM 35 CA GLN A 12 -6.940 9.203 5.311 1.00 23.00 C ATOM 36 C GLN A 12 -6.938 8.486 3.964 1.00 75.00 C ATOM 37 O GLN A 12 -7.557 7.433 3.809 1.00 1.12 O ATOM 38 CB GLN A 12 -7.806 10.461 5.230 1.00 71.40 C ATOM 39 CG GLN A 12 -9.291 10.170 5.093 1.00 5.34 C ATOM 40 CD GLN A 12 -9.995 11.151 4.176 1.00 75.20 C ATOM 41 OE1 GLN A 12 -9.583 11.357 3.034 1.00 54.30 O ATOM 42 NE2 GLN A 12 -11.060 11.763 4.672 1.00 71.40 N ATOM 0 H GLN A 12 -5.420 10.546 5.841 1.00 40.20 H new ATOM 0 HA GLN A 12 -7.358 8.531 6.060 1.00 23.00 H new ATOM 0 HB2 GLN A 12 -7.643 11.062 6.125 1.00 71.40 H new ATOM 0 HB3 GLN A 12 -7.482 11.061 4.380 1.00 71.40 H new ATOM 0 HG2 GLN A 12 -9.425 9.159 4.709 1.00 5.34 H new ATOM 0 HG3 GLN A 12 -9.756 10.201 6.078 1.00 5.34 H new ATOM 0 HE21 GLN A 12 -11.367 11.562 5.624 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -11.574 12.435 4.102 1.00 71.40 H new ATOM 51 N LYS A 13 -6.237 9.063 2.994 1.00 73.20 N ATOM 52 CA LYS A 13 -6.155 8.479 1.660 1.00 32.40 C ATOM 53 C LYS A 13 -5.430 7.137 1.698 1.00 73.40 C ATOM 54 O LYS A 13 -5.763 6.220 0.948 1.00 41.30 O ATOM 55 CB LYS A 13 -5.434 9.434 0.706 1.00 63.20 C ATOM 56 CG LYS A 13 -5.929 9.349 -0.728 1.00 41.30 C ATOM 57 CD LYS A 13 -4.801 9.578 -1.721 1.00 45.10 C ATOM 58 CE LYS A 13 -5.271 10.383 -2.922 1.00 23.20 C ATOM 59 NZ LYS A 13 -5.657 9.507 -4.062 1.00 64.40 N ATOM 0 H LYS A 13 -5.718 9.934 3.106 1.00 73.20 H new ATOM 0 HA LYS A 13 -7.170 8.314 1.299 1.00 32.40 H new ATOM 0 HB2 LYS A 13 -5.559 10.456 1.065 1.00 63.20 H new ATOM 0 HB3 LYS A 13 -4.366 9.217 0.726 1.00 63.20 H new ATOM 0 HG2 LYS A 13 -6.376 8.370 -0.902 1.00 41.30 H new ATOM 0 HG3 LYS A 13 -6.712 10.090 -0.888 1.00 41.30 H new ATOM 0 HD2 LYS A 13 -3.982 10.102 -1.228 1.00 45.10 H new ATOM 0 HD3 LYS A 13 -4.409 8.618 -2.056 1.00 45.10 H new ATOM 0 HE2 LYS A 13 -6.122 11.000 -2.634 1.00 23.20 H new ATOM 0 HE3 LYS A 13 -4.478 11.061 -3.238 1.00 23.20 H new ATOM 0 HZ1 LYS A 13 -5.971 10.095 -4.860 1.00 64.40 H new ATOM 0 HZ2 LYS A 13 -4.838 8.936 -4.354 1.00 64.40 H new ATOM 0 HZ3 LYS A 13 -6.431 8.878 -3.769 1.00 64.40 H new ATOM 73 N ALA A 14 -4.438 7.030 2.576 1.00 14.30 N ATOM 74 CA ALA A 14 -3.667 5.801 2.711 1.00 4.20 C ATOM 75 C ALA A 14 -4.562 4.633 3.110 1.00 21.10 C ATOM 76 O ALA A 14 -4.450 3.536 2.562 1.00 0.35 O ATOM 77 CB ALA A 14 -2.553 5.987 3.730 1.00 24.40 C ATOM 0 H ALA A 14 -4.150 7.780 3.204 1.00 14.30 H new ATOM 0 HA ALA A 14 -3.224 5.570 1.742 1.00 4.20 H new ATOM 0 HB1 ALA A 14 -1.985 5.061 3.821 1.00 24.40 H new ATOM 0 HB2 ALA A 14 -1.891 6.789 3.403 1.00 24.40 H new ATOM 0 HB3 ALA A 14 -2.984 6.245 4.697 1.00 24.40 H new ATOM 83 N ILE A 15 -5.451 4.875 4.068 1.00 3.11 N ATOM 84 CA ILE A 15 -6.366 3.843 4.541 1.00 4.42 C ATOM 85 C ILE A 15 -7.393 3.489 3.471 1.00 14.50 C ATOM 86 O ILE A 15 -7.824 2.341 3.365 1.00 31.50 O ATOM 87 CB ILE A 15 -7.104 4.288 5.819 1.00 41.30 C ATOM 88 CG1 ILE A 15 -6.107 4.799 6.862 1.00 42.20 C ATOM 89 CG2 ILE A 15 -7.926 3.138 6.384 1.00 55.40 C ATOM 90 CD1 ILE A 15 -6.587 6.026 7.606 1.00 4.11 C ATOM 0 H ILE A 15 -5.557 5.777 4.532 1.00 3.11 H new ATOM 0 HA ILE A 15 -5.763 2.964 4.768 1.00 4.42 H new ATOM 0 HB ILE A 15 -7.781 5.103 5.563 1.00 41.30 H new ATOM 0 HG12 ILE A 15 -5.905 4.004 7.580 1.00 42.20 H new ATOM 0 HG13 ILE A 15 -5.163 5.029 6.368 1.00 42.20 H new ATOM 0 HG21 ILE A 15 -8.441 3.468 7.286 1.00 55.40 H new ATOM 0 HG22 ILE A 15 -8.659 2.817 5.644 1.00 55.40 H new ATOM 0 HG23 ILE A 15 -7.267 2.305 6.627 1.00 55.40 H new ATOM 0 HD11 ILE A 15 -5.831 6.332 8.329 1.00 4.11 H new ATOM 0 HD12 ILE A 15 -6.761 6.836 6.898 1.00 4.11 H new ATOM 0 HD13 ILE A 15 -7.515 5.795 8.128 1.00 4.11 H new ATOM 102 N ASP A 16 -7.781 4.483 2.678 1.00 3.34 N ATOM 103 CA ASP A 16 -8.758 4.277 1.616 1.00 41.00 C ATOM 104 C ASP A 16 -8.159 3.454 0.479 1.00 62.30 C ATOM 105 O ASP A 16 -8.754 2.475 0.029 1.00 44.40 O ATOM 106 CB ASP A 16 -9.253 5.622 1.081 1.00 21.50 C ATOM 107 CG ASP A 16 -10.680 5.555 0.584 1.00 0.42 C ATOM 108 OD1 ASP A 16 -11.140 4.443 0.251 1.00 42.20 O ATOM 109 OD2 ASP A 16 -11.340 6.614 0.528 1.00 63.30 O ATOM 0 H ASP A 16 -7.433 5.439 2.751 1.00 3.34 H new ATOM 0 HA ASP A 16 -9.602 3.728 2.034 1.00 41.00 H new ATOM 0 HB2 ASP A 16 -9.180 6.372 1.868 1.00 21.50 H new ATOM 0 HB3 ASP A 16 -8.603 5.948 0.269 1.00 21.50 H new ATOM 114 N LEU A 17 -6.979 3.858 0.020 1.00 61.10 N ATOM 115 CA LEU A 17 -6.300 3.158 -1.063 1.00 12.00 C ATOM 116 C LEU A 17 -5.990 1.717 -0.670 1.00 13.00 C ATOM 117 O LEU A 17 -6.141 0.797 -1.474 1.00 35.40 O ATOM 118 CB LEU A 17 -5.008 3.886 -1.439 1.00 71.10 C ATOM 119 CG LEU A 17 -5.203 5.238 -2.127 1.00 22.40 C ATOM 120 CD1 LEU A 17 -4.009 6.144 -1.871 1.00 1.40 C ATOM 121 CD2 LEU A 17 -5.420 5.048 -3.620 1.00 74.40 C ATOM 0 H LEU A 17 -6.474 4.667 0.382 1.00 61.10 H new ATOM 0 HA LEU A 17 -6.965 3.145 -1.926 1.00 12.00 H new ATOM 0 HB2 LEU A 17 -4.418 4.037 -0.535 1.00 71.10 H new ATOM 0 HB3 LEU A 17 -4.424 3.242 -2.097 1.00 71.10 H new ATOM 0 HG LEU A 17 -6.090 5.714 -1.708 1.00 22.40 H new ATOM 0 HD11 LEU A 17 -4.165 7.101 -2.368 1.00 1.40 H new ATOM 0 HD12 LEU A 17 -3.898 6.306 -0.799 1.00 1.40 H new ATOM 0 HD13 LEU A 17 -3.106 5.675 -2.262 1.00 1.40 H new ATOM 0 HD21 LEU A 17 -5.557 6.020 -4.094 1.00 74.40 H new ATOM 0 HD22 LEU A 17 -4.552 4.552 -4.054 1.00 74.40 H new ATOM 0 HD23 LEU A 17 -6.307 4.436 -3.784 1.00 74.40 H new ATOM 133 N ALA A 18 -5.555 1.529 0.571 1.00 70.30 N ATOM 134 CA ALA A 18 -5.223 0.200 1.071 1.00 64.30 C ATOM 135 C ALA A 18 -6.462 -0.686 1.139 1.00 25.40 C ATOM 136 O ALA A 18 -6.418 -1.861 0.777 1.00 12.40 O ATOM 137 CB ALA A 18 -4.568 0.301 2.441 1.00 0.21 C ATOM 0 H ALA A 18 -5.424 2.280 1.249 1.00 70.30 H new ATOM 0 HA ALA A 18 -4.519 -0.258 0.376 1.00 64.30 H new ATOM 0 HB1 ALA A 18 -4.325 -0.698 2.803 1.00 0.21 H new ATOM 0 HB2 ALA A 18 -3.655 0.891 2.365 1.00 0.21 H new ATOM 0 HB3 ALA A 18 -5.254 0.782 3.138 1.00 0.21 H new ATOM 143 N SER A 19 -7.567 -0.114 1.606 1.00 71.30 N ATOM 144 CA SER A 19 -8.820 -0.852 1.721 1.00 33.30 C ATOM 145 C SER A 19 -9.296 -1.332 0.354 1.00 63.20 C ATOM 146 O SER A 19 -9.725 -2.476 0.202 1.00 10.50 O ATOM 147 CB SER A 19 -9.894 0.024 2.370 1.00 33.20 C ATOM 148 OG SER A 19 -9.671 0.157 3.763 1.00 2.21 O ATOM 0 H SER A 19 -7.620 0.858 1.911 1.00 71.30 H new ATOM 0 HA SER A 19 -8.643 -1.724 2.350 1.00 33.30 H new ATOM 0 HB2 SER A 19 -9.895 1.009 1.903 1.00 33.20 H new ATOM 0 HB3 SER A 19 -10.878 -0.412 2.196 1.00 33.20 H new ATOM 0 HG SER A 19 -9.020 0.872 3.923 1.00 2.21 H new ATOM 154 N LYS A 20 -9.217 -0.451 -0.638 1.00 21.40 N ATOM 155 CA LYS A 20 -9.639 -0.786 -1.992 1.00 64.20 C ATOM 156 C LYS A 20 -8.672 -1.774 -2.636 1.00 44.10 C ATOM 157 O LYS A 20 -9.086 -2.691 -3.346 1.00 1.23 O ATOM 158 CB LYS A 20 -9.736 0.480 -2.846 1.00 40.30 C ATOM 159 CG LYS A 20 -10.870 0.452 -3.848 1.00 54.40 C ATOM 160 CD LYS A 20 -10.590 1.342 -5.046 1.00 35.30 C ATOM 161 CE LYS A 20 -11.130 0.737 -6.332 1.00 1.22 C ATOM 162 NZ LYS A 20 -10.780 1.566 -7.522 1.00 32.40 N ATOM 0 H LYS A 20 -8.865 0.500 -0.529 1.00 21.40 H new ATOM 0 HA LYS A 20 -10.622 -1.254 -1.933 1.00 64.20 H new ATOM 0 HB2 LYS A 20 -9.863 1.341 -2.190 1.00 40.30 H new ATOM 0 HB3 LYS A 20 -8.796 0.621 -3.379 1.00 40.30 H new ATOM 0 HG2 LYS A 20 -11.030 -0.572 -4.186 1.00 54.40 H new ATOM 0 HG3 LYS A 20 -11.791 0.775 -3.363 1.00 54.40 H new ATOM 0 HD2 LYS A 20 -11.042 2.321 -4.886 1.00 35.30 H new ATOM 0 HD3 LYS A 20 -9.515 1.499 -5.140 1.00 35.30 H new ATOM 0 HE2 LYS A 20 -10.728 -0.268 -6.458 1.00 1.22 H new ATOM 0 HE3 LYS A 20 -12.213 0.641 -6.262 1.00 1.22 H new ATOM 0 HZ1 LYS A 20 -11.165 1.122 -8.380 1.00 32.40 H new ATOM 0 HZ2 LYS A 20 -11.185 2.518 -7.413 1.00 32.40 H new ATOM 0 HZ3 LYS A 20 -9.746 1.637 -7.603 1.00 32.40 H new ATOM 176 N ALA A 21 -7.382 -1.582 -2.382 1.00 62.50 N ATOM 177 CA ALA A 21 -6.356 -2.457 -2.936 1.00 71.00 C ATOM 178 C ALA A 21 -6.557 -3.897 -2.478 1.00 43.20 C ATOM 179 O ALA A 21 -6.515 -4.827 -3.284 1.00 74.10 O ATOM 180 CB ALA A 21 -4.972 -1.963 -2.540 1.00 11.50 C ATOM 0 H ALA A 21 -7.022 -0.828 -1.796 1.00 62.50 H new ATOM 0 HA ALA A 21 -6.441 -2.434 -4.022 1.00 71.00 H new ATOM 0 HB1 ALA A 21 -4.215 -2.625 -2.960 1.00 11.50 H new ATOM 0 HB2 ALA A 21 -4.823 -0.953 -2.922 1.00 11.50 H new ATOM 0 HB3 ALA A 21 -4.885 -1.956 -1.453 1.00 11.50 H new ATOM 186 N ALA A 22 -6.775 -4.075 -1.180 1.00 63.10 N ATOM 187 CA ALA A 22 -6.983 -5.402 -0.614 1.00 63.40 C ATOM 188 C ALA A 22 -8.198 -6.081 -1.239 1.00 12.50 C ATOM 189 O ALA A 22 -8.172 -7.277 -1.529 1.00 33.30 O ATOM 190 CB ALA A 22 -7.144 -5.313 0.896 1.00 32.30 C ATOM 0 H ALA A 22 -6.812 -3.316 -0.500 1.00 63.10 H new ATOM 0 HA ALA A 22 -6.105 -6.008 -0.839 1.00 63.40 H new ATOM 0 HB1 ALA A 22 -7.299 -6.311 1.305 1.00 32.30 H new ATOM 0 HB2 ALA A 22 -6.245 -4.877 1.333 1.00 32.30 H new ATOM 0 HB3 ALA A 22 -8.004 -4.686 1.134 1.00 32.30 H new ATOM 196 N GLN A 23 -9.260 -5.309 -1.444 1.00 34.20 N ATOM 197 CA GLN A 23 -10.480 -5.835 -2.034 1.00 1.52 C ATOM 198 C GLN A 23 -10.310 -6.067 -3.532 1.00 73.30 C ATOM 199 O GLN A 23 -10.910 -6.974 -4.104 1.00 74.30 O ATOM 200 CB GLN A 23 -11.640 -4.875 -1.787 1.00 71.00 C ATOM 201 CG GLN A 23 -12.220 -4.960 -0.380 1.00 14.20 C ATOM 202 CD GLN A 23 -13.230 -3.868 -0.095 1.00 44.50 C ATOM 203 OE1 GLN A 23 -13.000 -2.699 -0.407 1.00 24.20 O ATOM 204 NE2 GLN A 23 -14.350 -4.244 0.503 1.00 24.50 N ATOM 0 H GLN A 23 -9.298 -4.317 -1.209 1.00 34.20 H new ATOM 0 HA GLN A 23 -10.697 -6.793 -1.561 1.00 1.52 H new ATOM 0 HB2 GLN A 23 -11.301 -3.855 -1.969 1.00 71.00 H new ATOM 0 HB3 GLN A 23 -12.430 -5.081 -2.509 1.00 71.00 H new ATOM 0 HG2 GLN A 23 -12.695 -5.932 -0.246 1.00 14.20 H new ATOM 0 HG3 GLN A 23 -11.410 -4.898 0.347 1.00 14.20 H new ATOM 0 HE21 GLN A 23 -14.496 -5.225 0.742 1.00 24.50 H new ATOM 0 HE22 GLN A 23 -15.067 -3.553 0.724 1.00 24.50 H new ATOM 213 N GLU A 24 -9.482 -5.240 -4.161 1.00 53.40 N ATOM 214 CA GLU A 24 -9.229 -5.354 -5.592 1.00 62.40 C ATOM 215 C GLU A 24 -8.427 -6.614 -5.904 1.00 21.10 C ATOM 216 O GLU A 24 -8.669 -7.283 -6.908 1.00 61.20 O ATOM 217 CB GLU A 24 -8.480 -4.120 -6.100 1.00 42.20 C ATOM 218 CG GLU A 24 -9.376 -2.911 -6.314 1.00 71.10 C ATOM 219 CD GLU A 24 -10.200 -3.015 -7.581 1.00 14.30 C ATOM 220 OE1 GLU A 24 -9.605 -3.171 -8.667 1.00 2.44 O ATOM 221 OE2 GLU A 24 -11.440 -2.940 -7.487 1.00 73.40 O ATOM 0 H GLU A 24 -8.975 -4.483 -3.702 1.00 53.40 H new ATOM 0 HA GLU A 24 -10.191 -5.421 -6.101 1.00 62.40 H new ATOM 0 HB2 GLU A 24 -7.698 -3.861 -5.387 1.00 42.20 H new ATOM 0 HB3 GLU A 24 -7.985 -4.366 -7.040 1.00 42.20 H new ATOM 0 HG2 GLU A 24 -10.043 -2.802 -5.459 1.00 71.10 H new ATOM 0 HG3 GLU A 24 -8.762 -2.011 -6.357 1.00 71.10 H new ATOM 228 N ASP A 25 -7.471 -6.930 -5.037 1.00 53.40 N ATOM 229 CA ASP A 25 -6.633 -8.109 -5.219 1.00 54.20 C ATOM 230 C ASP A 25 -7.429 -9.386 -4.973 1.00 22.40 C ATOM 231 O ASP A 25 -7.423 -10.300 -5.795 1.00 53.40 O ATOM 232 CB ASP A 25 -5.428 -8.055 -4.278 1.00 4.11 C ATOM 233 CG ASP A 25 -4.468 -9.208 -4.500 1.00 12.30 C ATOM 234 OD1 ASP A 25 -4.099 -9.455 -5.667 1.00 25.30 O ATOM 235 OD2 ASP A 25 -4.087 -9.863 -3.507 1.00 32.20 O ATOM 0 H ASP A 25 -7.257 -6.386 -4.201 1.00 53.40 H new ATOM 0 HA ASP A 25 -6.279 -8.116 -6.250 1.00 54.20 H new ATOM 0 HB2 ASP A 25 -4.899 -7.113 -4.423 1.00 4.11 H new ATOM 0 HB3 ASP A 25 -5.776 -8.070 -3.245 1.00 4.11 H new ATOM 240 N LYS A 26 -8.113 -9.441 -3.835 1.00 45.30 N ATOM 241 CA LYS A 26 -8.915 -10.600 -3.480 1.00 73.30 C ATOM 242 C LYS A 26 -10.080 -10.780 -4.449 1.00 65.40 C ATOM 243 O LYS A 26 -10.510 -11.900 -4.716 1.00 14.00 O ATOM 244 CB LYS A 26 -9.442 -10.470 -2.050 1.00 45.20 C ATOM 245 CG LYS A 26 -10.290 -9.233 -1.830 1.00 12.50 C ATOM 246 CD LYS A 26 -11.730 -9.597 -1.479 1.00 4.24 C ATOM 247 CE LYS A 26 -12.640 -9.500 -2.691 1.00 33.20 C ATOM 248 NZ LYS A 26 -14.050 -9.835 -2.353 1.00 1.11 N ATOM 0 H LYS A 26 -8.126 -8.692 -3.142 1.00 45.30 H new ATOM 0 HA LYS A 26 -8.275 -11.480 -3.544 1.00 73.30 H new ATOM 0 HB2 LYS A 26 -10.032 -11.354 -1.807 1.00 45.20 H new ATOM 0 HB3 LYS A 26 -8.598 -10.450 -1.360 1.00 45.20 H new ATOM 0 HG2 LYS A 26 -9.859 -8.633 -1.028 1.00 12.50 H new ATOM 0 HG3 LYS A 26 -10.278 -8.618 -2.730 1.00 12.50 H new ATOM 0 HD2 LYS A 26 -11.763 -10.610 -1.078 1.00 4.24 H new ATOM 0 HD3 LYS A 26 -12.094 -8.932 -0.695 1.00 4.24 H new ATOM 0 HE2 LYS A 26 -12.594 -8.491 -3.100 1.00 33.20 H new ATOM 0 HE3 LYS A 26 -12.283 -10.175 -3.469 1.00 33.20 H new ATOM 0 HZ1 LYS A 26 -14.639 -9.757 -3.206 1.00 1.11 H new ATOM 0 HZ2 LYS A 26 -14.098 -10.807 -1.987 1.00 1.11 H new ATOM 0 HZ3 LYS A 26 -14.400 -9.175 -1.629 1.00 1.11 H new ATOM 262 N ALA A 27 -10.580 -9.667 -4.974 1.00 4.45 N ATOM 263 CA ALA A 27 -11.690 -9.698 -5.913 1.00 63.20 C ATOM 264 C ALA A 27 -11.260 -10.270 -7.256 1.00 71.50 C ATOM 265 O ALA A 27 -12.030 -10.970 -7.917 1.00 71.30 O ATOM 266 CB ALA A 27 -12.260 -8.301 -6.098 1.00 41.30 C ATOM 0 H ALA A 27 -10.232 -8.732 -4.763 1.00 4.45 H new ATOM 0 HA ALA A 27 -12.462 -10.348 -5.500 1.00 63.20 H new ATOM 0 HB1 ALA A 27 -13.090 -8.337 -6.803 1.00 41.30 H new ATOM 0 HB2 ALA A 27 -12.615 -7.923 -5.139 1.00 41.30 H new ATOM 0 HB3 ALA A 27 -11.484 -7.640 -6.484 1.00 41.30 H new ATOM 272 N GLY A 28 -10.030 -9.982 -7.654 1.00 3.35 N ATOM 273 CA GLY A 28 -9.518 -10.480 -8.917 1.00 43.20 C ATOM 274 C GLY A 28 -8.581 -9.500 -9.592 1.00 51.20 C ATOM 275 O GLY A 28 -7.681 -9.899 -10.330 1.00 2.21 O ATOM 0 H GLY A 28 -9.373 -9.410 -7.123 1.00 3.35 H new ATOM 0 HA2 GLY A 28 -8.994 -11.420 -8.747 1.00 43.20 H new ATOM 0 HA3 GLY A 28 -10.353 -10.697 -9.583 1.00 43.20 H new ATOM 279 N ASN A 29 -8.791 -8.213 -9.337 1.00 32.40 N ATOM 280 CA ASN A 29 -7.958 -7.171 -9.925 1.00 50.40 C ATOM 281 C ASN A 29 -6.598 -7.109 -9.238 1.00 61.00 C ATOM 282 O ASN A 29 -6.505 -6.794 -8.051 1.00 32.10 O ATOM 283 CB ASN A 29 -8.655 -5.813 -9.825 1.00 11.00 C ATOM 284 CG ASN A 29 -9.980 -5.788 -10.560 1.00 10.20 C ATOM 285 OD1 ASN A 29 -10.410 -6.797 -11.110 1.00 11.40 O ATOM 286 ND2 ASN A 29 -10.630 -4.630 -10.570 1.00 62.00 N ATOM 0 H ASN A 29 -9.531 -7.867 -8.727 1.00 32.40 H new ATOM 0 HA ASN A 29 -7.803 -7.415 -10.976 1.00 50.40 H new ATOM 0 HB2 ASN A 29 -8.820 -5.569 -8.776 1.00 11.00 H new ATOM 0 HB3 ASN A 29 -8.002 -5.042 -10.233 1.00 11.00 H new ATOM 0 HD21 ASN A 29 -11.527 -4.553 -11.049 1.00 62.00 H new ATOM 0 HD22 ASN A 29 -10.232 -3.818 -10.098 1.00 62.00 H new ATOM 293 N TYR A 30 -5.545 -7.411 -9.990 1.00 63.20 N ATOM 294 CA TYR A 30 -4.190 -7.390 -9.453 1.00 75.30 C ATOM 295 C TYR A 30 -3.433 -6.156 -9.935 1.00 65.10 C ATOM 296 O TYR A 30 -2.633 -5.579 -9.198 1.00 34.40 O ATOM 297 CB TYR A 30 -3.437 -8.657 -9.862 1.00 62.50 C ATOM 298 CG TYR A 30 -3.745 -9.853 -8.990 1.00 62.40 C ATOM 299 CD1 TYR A 30 -5.047 -10.130 -8.593 1.00 34.10 C ATOM 300 CD2 TYR A 30 -2.733 -10.700 -8.564 1.00 44.10 C ATOM 301 CE1 TYR A 30 -5.332 -11.220 -7.795 1.00 62.10 C ATOM 302 CE2 TYR A 30 -3.011 -11.800 -7.767 1.00 50.40 C ATOM 303 CZ TYR A 30 -4.311 -12.050 -7.386 1.00 62.20 C ATOM 304 OH TYR A 30 -4.591 -13.140 -6.592 1.00 52.50 O ATOM 0 H TYR A 30 -5.604 -7.673 -10.974 1.00 63.20 H new ATOM 0 HA TYR A 30 -4.257 -7.351 -8.366 1.00 75.30 H new ATOM 0 HB2 TYR A 30 -3.684 -8.899 -10.896 1.00 62.50 H new ATOM 0 HB3 TYR A 30 -2.366 -8.460 -9.828 1.00 62.50 H new ATOM 0 HD1 TYR A 30 -5.849 -9.482 -8.914 1.00 34.10 H new ATOM 0 HD2 TYR A 30 -1.713 -10.500 -8.857 1.00 44.10 H new ATOM 0 HE1 TYR A 30 -6.349 -11.421 -7.493 1.00 62.10 H new ATOM 0 HE2 TYR A 30 -2.215 -12.456 -7.447 1.00 50.40 H new ATOM 0 HH TYR A 30 -3.761 -13.622 -6.394 1.00 52.50 H new ATOM 314 N GLU A 31 -3.690 -5.758 -11.170 1.00 24.50 N ATOM 315 CA GLU A 31 -3.033 -4.593 -11.750 1.00 30.30 C ATOM 316 C GLU A 31 -3.420 -3.321 -11.010 1.00 5.33 C ATOM 317 O GLU A 31 -2.558 -2.588 -10.520 1.00 43.30 O ATOM 318 CB GLU A 31 -3.399 -4.460 -13.230 1.00 30.30 C ATOM 319 CG GLU A 31 -2.806 -5.553 -14.110 1.00 10.00 C ATOM 320 CD GLU A 31 -3.816 -6.626 -14.460 1.00 12.30 C ATOM 321 OE1 GLU A 31 -4.624 -6.995 -13.580 1.00 3.22 O ATOM 322 OE2 GLU A 31 -3.799 -7.097 -15.620 1.00 62.20 O ATOM 0 H GLU A 31 -4.350 -6.224 -11.793 1.00 24.50 H new ATOM 0 HA GLU A 31 -1.956 -4.734 -11.655 1.00 30.30 H new ATOM 0 HB2 GLU A 31 -4.484 -4.475 -13.329 1.00 30.30 H new ATOM 0 HB3 GLU A 31 -3.059 -3.490 -13.593 1.00 30.30 H new ATOM 0 HG2 GLU A 31 -2.421 -5.108 -15.027 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -1.959 -6.009 -13.597 1.00 10.00 H new ATOM 329 N GLU A 32 -4.721 -3.066 -10.920 1.00 0.44 N ATOM 330 CA GLU A 32 -5.222 -1.883 -10.230 1.00 12.20 C ATOM 331 C GLU A 32 -4.851 -1.916 -8.752 1.00 75.10 C ATOM 332 O GLU A 32 -4.458 -0.901 -8.177 1.00 22.50 O ATOM 333 CB GLU A 32 -6.741 -1.782 -10.380 1.00 62.10 C ATOM 334 CG GLU A 32 -7.248 -0.353 -10.490 1.00 44.30 C ATOM 335 CD GLU A 32 -7.164 0.191 -11.900 1.00 13.30 C ATOM 336 OE1 GLU A 32 -6.052 0.197 -12.470 1.00 74.20 O ATOM 337 OE2 GLU A 32 -8.210 0.612 -12.440 1.00 24.40 O ATOM 0 H GLU A 32 -5.447 -3.663 -11.316 1.00 0.44 H new ATOM 0 HA GLU A 32 -4.758 -1.008 -10.685 1.00 12.20 H new ATOM 0 HB2 GLU A 32 -7.048 -2.337 -11.267 1.00 62.10 H new ATOM 0 HB3 GLU A 32 -7.215 -2.262 -9.524 1.00 62.10 H new ATOM 0 HG2 GLU A 32 -8.283 -0.312 -10.151 1.00 44.30 H new ATOM 0 HG3 GLU A 32 -6.668 0.286 -9.824 1.00 44.30 H new ATOM 344 N ALA A 33 -4.979 -3.090 -8.142 1.00 43.40 N ATOM 345 CA ALA A 33 -4.657 -3.256 -6.730 1.00 3.53 C ATOM 346 C ALA A 33 -3.183 -2.968 -6.466 1.00 44.10 C ATOM 347 O ALA A 33 -2.825 -2.414 -5.426 1.00 10.30 O ATOM 348 CB ALA A 33 -5.013 -4.661 -6.269 1.00 30.10 C ATOM 0 H ALA A 33 -5.303 -3.940 -8.604 1.00 43.40 H new ATOM 0 HA ALA A 33 -5.248 -2.538 -6.161 1.00 3.53 H new ATOM 0 HB1 ALA A 33 -4.767 -4.771 -5.213 1.00 30.10 H new ATOM 0 HB2 ALA A 33 -6.080 -4.832 -6.413 1.00 30.10 H new ATOM 0 HB3 ALA A 33 -4.447 -5.389 -6.851 1.00 30.10 H new ATOM 354 N LEU A 34 -2.332 -3.348 -7.413 1.00 3.01 N ATOM 355 CA LEU A 34 -0.896 -3.130 -7.283 1.00 71.30 C ATOM 356 C LEU A 34 -0.580 -1.644 -7.153 1.00 21.30 C ATOM 357 O LEU A 34 0.145 -1.230 -6.248 1.00 14.40 O ATOM 358 CB LEU A 34 -0.159 -3.716 -8.489 1.00 62.40 C ATOM 359 CG LEU A 34 1.357 -3.515 -8.482 1.00 32.00 C ATOM 360 CD1 LEU A 34 1.996 -4.315 -7.358 1.00 70.00 C ATOM 361 CD2 LEU A 34 1.953 -3.909 -9.825 1.00 22.10 C ATOM 0 H LEU A 34 -2.612 -3.809 -8.279 1.00 3.01 H new ATOM 0 HA LEU A 34 -0.558 -3.635 -6.378 1.00 71.30 H new ATOM 0 HB2 LEU A 34 -0.368 -4.785 -8.539 1.00 62.40 H new ATOM 0 HB3 LEU A 34 -0.565 -3.269 -9.396 1.00 62.40 H new ATOM 0 HG LEU A 34 1.564 -2.458 -8.311 1.00 32.00 H new ATOM 0 HD11 LEU A 34 3.075 -4.160 -7.369 1.00 70.00 H new ATOM 0 HD12 LEU A 34 1.591 -3.985 -6.401 1.00 70.00 H new ATOM 0 HD13 LEU A 34 1.781 -5.374 -7.497 1.00 70.00 H new ATOM 0 HD21 LEU A 34 3.032 -3.759 -9.802 1.00 22.10 H new ATOM 0 HD22 LEU A 34 1.736 -4.958 -10.026 1.00 22.10 H new ATOM 0 HD23 LEU A 34 1.518 -3.292 -10.611 1.00 22.10 H new ATOM 373 N GLN A 35 -1.130 -0.845 -8.062 1.00 0.41 N ATOM 374 CA GLN A 35 -0.907 0.596 -8.049 1.00 50.30 C ATOM 375 C GLN A 35 -1.455 1.219 -6.769 1.00 70.20 C ATOM 376 O GLN A 35 -0.922 2.211 -6.273 1.00 50.10 O ATOM 377 CB GLN A 35 -1.563 1.246 -9.268 1.00 74.40 C ATOM 378 CG GLN A 35 -0.746 1.111 -10.540 1.00 71.30 C ATOM 379 CD GLN A 35 -1.052 2.203 -11.540 1.00 20.30 C ATOM 380 OE1 GLN A 35 -0.228 3.084 -11.790 1.00 64.40 O ATOM 381 NE2 GLN A 35 -2.241 2.150 -12.130 1.00 65.30 N ATOM 0 H GLN A 35 -1.733 -1.171 -8.817 1.00 0.41 H new ATOM 0 HA GLN A 35 0.168 0.773 -8.087 1.00 50.30 H new ATOM 0 HB2 GLN A 35 -2.543 0.796 -9.426 1.00 74.40 H new ATOM 0 HB3 GLN A 35 -1.727 2.304 -9.062 1.00 74.40 H new ATOM 0 HG2 GLN A 35 0.315 1.136 -10.292 1.00 71.30 H new ATOM 0 HG3 GLN A 35 -0.944 0.140 -10.994 1.00 71.30 H new ATOM 0 HE21 GLN A 35 -2.894 1.403 -11.894 1.00 65.30 H new ATOM 0 HE22 GLN A 35 -2.500 2.856 -12.819 1.00 65.30 H new ATOM 390 N LEU A 36 -2.523 0.630 -6.241 1.00 51.20 N ATOM 391 CA LEU A 36 -3.143 1.128 -5.018 1.00 44.30 C ATOM 392 C LEU A 36 -2.318 0.745 -3.794 1.00 10.40 C ATOM 393 O LEU A 36 -2.203 1.519 -2.844 1.00 54.20 O ATOM 394 CB LEU A 36 -4.565 0.578 -4.883 1.00 34.10 C ATOM 395 CG LEU A 36 -5.529 0.994 -5.995 1.00 42.20 C ATOM 396 CD1 LEU A 36 -6.666 -0.008 -6.117 1.00 71.40 C ATOM 397 CD2 LEU A 36 -6.072 2.391 -5.733 1.00 2.41 C ATOM 0 H LEU A 36 -2.977 -0.192 -6.640 1.00 51.20 H new ATOM 0 HA LEU A 36 -3.185 2.216 -5.078 1.00 44.30 H new ATOM 0 HB2 LEU A 36 -4.516 -0.511 -4.854 1.00 34.10 H new ATOM 0 HB3 LEU A 36 -4.975 0.904 -3.927 1.00 34.10 H new ATOM 0 HG LEU A 36 -4.983 1.009 -6.938 1.00 42.20 H new ATOM 0 HD11 LEU A 36 -7.342 0.304 -6.913 1.00 71.40 H new ATOM 0 HD12 LEU A 36 -6.260 -0.992 -6.351 1.00 71.40 H new ATOM 0 HD13 LEU A 36 -7.212 -0.055 -5.175 1.00 71.40 H new ATOM 0 HD21 LEU A 36 -6.756 2.671 -6.534 1.00 2.41 H new ATOM 0 HD22 LEU A 36 -6.603 2.402 -4.781 1.00 2.41 H new ATOM 0 HD23 LEU A 36 -5.246 3.101 -5.696 1.00 2.41 H new ATOM 409 N TYR A 37 -1.746 -0.454 -3.824 1.00 72.40 N ATOM 410 CA TYR A 37 -0.932 -0.940 -2.716 1.00 11.10 C ATOM 411 C TYR A 37 0.269 -0.029 -2.483 1.00 42.10 C ATOM 412 O TYR A 37 0.590 0.311 -1.345 1.00 2.32 O ATOM 413 CB TYR A 37 -0.457 -2.368 -2.993 1.00 70.10 C ATOM 414 CG TYR A 37 -1.541 -3.409 -2.834 1.00 75.30 C ATOM 415 CD1 TYR A 37 -2.401 -3.383 -1.743 1.00 72.10 C ATOM 416 CD2 TYR A 37 -1.705 -4.419 -3.773 1.00 31.10 C ATOM 417 CE1 TYR A 37 -3.393 -4.333 -1.593 1.00 12.00 C ATOM 418 CE2 TYR A 37 -2.695 -5.373 -3.631 1.00 11.40 C ATOM 419 CZ TYR A 37 -3.536 -5.326 -2.539 1.00 12.50 C ATOM 420 OH TYR A 37 -4.522 -6.274 -2.394 1.00 60.00 O ATOM 0 H TYR A 37 -1.831 -1.107 -4.603 1.00 72.40 H new ATOM 0 HA TYR A 37 -1.548 -0.937 -1.817 1.00 11.10 H new ATOM 0 HB2 TYR A 37 -0.061 -2.420 -4.007 1.00 70.10 H new ATOM 0 HB3 TYR A 37 0.365 -2.606 -2.318 1.00 70.10 H new ATOM 0 HD1 TYR A 37 -2.292 -2.607 -1.000 1.00 72.10 H new ATOM 0 HD2 TYR A 37 -1.048 -4.460 -4.629 1.00 31.10 H new ATOM 0 HE1 TYR A 37 -4.053 -4.298 -0.739 1.00 12.00 H new ATOM 0 HE2 TYR A 37 -2.809 -6.151 -4.371 1.00 11.40 H new ATOM 0 HH TYR A 37 -5.316 -6.000 -2.899 1.00 60.00 H new ATOM 430 N GLN A 38 0.928 0.363 -3.569 1.00 2.40 N ATOM 431 CA GLN A 38 2.093 1.235 -3.482 1.00 22.30 C ATOM 432 C GLN A 38 1.697 2.626 -2.998 1.00 44.30 C ATOM 433 O GLN A 38 2.398 3.237 -2.191 1.00 1.32 O ATOM 434 CB GLN A 38 2.784 1.334 -4.843 1.00 25.20 C ATOM 435 CG GLN A 38 3.401 0.025 -5.309 1.00 3.22 C ATOM 436 CD GLN A 38 3.306 -0.161 -6.811 1.00 2.32 C ATOM 437 OE1 GLN A 38 2.983 0.772 -7.545 1.00 31.40 O ATOM 438 NE2 GLN A 38 3.588 -1.373 -7.275 1.00 24.30 N ATOM 0 H GLN A 38 0.675 0.091 -4.519 1.00 2.40 H new ATOM 0 HA GLN A 38 2.786 0.803 -2.760 1.00 22.30 H new ATOM 0 HB2 GLN A 38 2.060 1.669 -5.585 1.00 25.20 H new ATOM 0 HB3 GLN A 38 3.563 2.095 -4.791 1.00 25.20 H new ATOM 0 HG2 GLN A 38 4.448 -0.007 -5.008 1.00 3.22 H new ATOM 0 HG3 GLN A 38 2.901 -0.806 -4.811 1.00 3.22 H new ATOM 0 HE21 GLN A 38 3.852 -2.118 -6.630 1.00 24.30 H new ATOM 0 HE22 GLN A 38 3.541 -1.559 -8.277 1.00 24.30 H new ATOM 447 N HIS A 39 0.568 3.121 -3.495 1.00 51.10 N ATOM 448 CA HIS A 39 0.078 4.440 -3.113 1.00 74.20 C ATOM 449 C HIS A 39 -0.186 4.509 -1.613 1.00 21.20 C ATOM 450 O HIS A 39 0.187 5.477 -0.950 1.00 24.30 O ATOM 451 CB HIS A 39 -1.200 4.776 -3.884 1.00 63.30 C ATOM 452 CG HIS A 39 -0.949 5.478 -5.182 1.00 50.10 C ATOM 453 ND1 HIS A 39 -1.946 6.088 -5.913 1.00 5.44 N ATOM 454 CD2 HIS A 39 0.196 5.666 -5.881 1.00 31.40 C ATOM 455 CE1 HIS A 39 -1.427 6.620 -7.006 1.00 64.20 C ATOM 456 NE2 HIS A 39 -0.129 6.379 -7.009 1.00 0.34 N ATOM 0 H HIS A 39 -0.025 2.628 -4.163 1.00 51.10 H new ATOM 0 HA HIS A 39 0.847 5.171 -3.362 1.00 74.20 H new ATOM 0 HB2 HIS A 39 -1.750 3.855 -4.079 1.00 63.30 H new ATOM 0 HB3 HIS A 39 -1.837 5.402 -3.259 1.00 63.30 H new ATOM 0 HD2 HIS A 39 1.181 5.320 -5.603 1.00 31.40 H new ATOM 0 HE1 HIS A 39 -1.972 7.160 -7.767 1.00 64.20 H new ATOM 0 HE2 HIS A 39 0.527 6.675 -7.732 1.00 0.34 H new ATOM 465 N ALA A 40 -0.831 3.475 -1.083 1.00 71.40 N ATOM 466 CA ALA A 40 -1.146 3.418 0.340 1.00 32.10 C ATOM 467 C ALA A 40 0.122 3.476 1.185 1.00 50.30 C ATOM 468 O ALA A 40 0.172 4.171 2.200 1.00 21.20 O ATOM 469 CB ALA A 40 -1.935 2.156 0.655 1.00 71.10 C ATOM 0 H ALA A 40 -1.146 2.665 -1.617 1.00 71.40 H new ATOM 0 HA ALA A 40 -1.756 4.286 0.587 1.00 32.10 H new ATOM 0 HB1 ALA A 40 -2.163 2.126 1.720 1.00 71.10 H new ATOM 0 HB2 ALA A 40 -2.864 2.156 0.085 1.00 71.10 H new ATOM 0 HB3 ALA A 40 -1.344 1.281 0.386 1.00 71.10 H new ATOM 475 N VAL A 41 1.145 2.742 0.759 1.00 5.23 N ATOM 476 CA VAL A 41 2.414 2.711 1.477 1.00 72.30 C ATOM 477 C VAL A 41 3.106 4.069 1.426 1.00 73.30 C ATOM 478 O VAL A 41 3.751 4.485 2.389 1.00 2.13 O ATOM 479 CB VAL A 41 3.361 1.641 0.899 1.00 33.00 C ATOM 480 CG1 VAL A 41 4.612 1.515 1.756 1.00 54.10 C ATOM 481 CG2 VAL A 41 2.649 0.301 0.783 1.00 4.41 C ATOM 0 H VAL A 41 1.120 2.161 -0.079 1.00 5.23 H new ATOM 0 HA VAL A 41 2.186 2.461 2.513 1.00 72.30 H new ATOM 0 HB VAL A 41 3.663 1.953 -0.101 1.00 33.00 H new ATOM 0 HG11 VAL A 41 5.268 0.755 1.332 1.00 54.10 H new ATOM 0 HG12 VAL A 41 5.134 2.472 1.781 1.00 54.10 H new ATOM 0 HG13 VAL A 41 4.331 1.228 2.769 1.00 54.10 H new ATOM 0 HG21 VAL A 41 3.334 -0.441 0.373 1.00 4.41 H new ATOM 0 HG22 VAL A 41 2.315 -0.020 1.770 1.00 4.41 H new ATOM 0 HG23 VAL A 41 1.787 0.403 0.123 1.00 4.41 H new ATOM 491 N GLN A 42 2.969 4.755 0.296 1.00 33.00 N ATOM 492 CA GLN A 42 3.582 6.067 0.120 1.00 24.20 C ATOM 493 C GLN A 42 3.002 7.075 1.106 1.00 31.10 C ATOM 494 O GLN A 42 3.739 7.806 1.767 1.00 51.00 O ATOM 495 CB GLN A 42 3.375 6.561 -1.313 1.00 65.40 C ATOM 496 CG GLN A 42 4.441 6.076 -2.283 1.00 71.30 C ATOM 497 CD GLN A 42 4.074 6.339 -3.730 1.00 11.00 C ATOM 498 OE1 GLN A 42 4.370 7.403 -4.275 1.00 34.50 O ATOM 499 NE2 GLN A 42 3.424 5.368 -4.362 1.00 71.40 N ATOM 0 H GLN A 42 2.440 4.425 -0.511 1.00 33.00 H new ATOM 0 HA GLN A 42 4.650 5.970 0.313 1.00 24.20 H new ATOM 0 HB2 GLN A 42 2.398 6.231 -1.665 1.00 65.40 H new ATOM 0 HB3 GLN A 42 3.363 7.651 -1.315 1.00 65.40 H new ATOM 0 HG2 GLN A 42 5.386 6.570 -2.056 1.00 71.30 H new ATOM 0 HG3 GLN A 42 4.598 5.007 -2.140 1.00 71.30 H new ATOM 0 HE21 GLN A 42 3.199 4.502 -3.872 1.00 71.40 H new ATOM 0 HE22 GLN A 42 3.150 5.488 -5.337 1.00 71.40 H new ATOM 508 N TYR A 43 1.677 7.109 1.200 1.00 54.50 N ATOM 509 CA TYR A 43 0.998 8.028 2.106 1.00 35.20 C ATOM 510 C TYR A 43 1.167 7.587 3.556 1.00 14.10 C ATOM 511 O TYR A 43 1.335 8.414 4.452 1.00 2.45 O ATOM 512 CB TYR A 43 -0.489 8.115 1.758 1.00 51.00 C ATOM 513 CG TYR A 43 -0.755 8.593 0.348 1.00 43.20 C ATOM 514 CD1 TYR A 43 -0.442 9.891 -0.036 1.00 3.02 C ATOM 515 CD2 TYR A 43 -1.318 7.746 -0.598 1.00 42.20 C ATOM 516 CE1 TYR A 43 -0.683 10.331 -1.323 1.00 71.10 C ATOM 517 CE2 TYR A 43 -1.562 8.179 -1.888 1.00 73.20 C ATOM 518 CZ TYR A 43 -1.243 9.472 -2.245 1.00 41.00 C ATOM 519 OH TYR A 43 -1.485 9.907 -3.528 1.00 54.40 O ATOM 0 H TYR A 43 1.052 6.511 0.660 1.00 54.50 H new ATOM 0 HA TYR A 43 1.450 9.013 1.989 1.00 35.20 H new ATOM 0 HB2 TYR A 43 -0.943 7.133 1.891 1.00 51.00 H new ATOM 0 HB3 TYR A 43 -0.979 8.790 2.460 1.00 51.00 H new ATOM 0 HD1 TYR A 43 -0.003 10.567 0.683 1.00 3.02 H new ATOM 0 HD2 TYR A 43 -1.569 6.733 -0.321 1.00 42.20 H new ATOM 0 HE1 TYR A 43 -0.434 11.343 -1.606 1.00 71.10 H new ATOM 0 HE2 TYR A 43 -2.000 7.508 -2.612 1.00 73.20 H new ATOM 0 HH TYR A 43 -1.881 9.179 -4.051 1.00 54.40 H new ATOM 529 N PHE A 44 1.123 6.277 3.780 1.00 53.40 N ATOM 530 CA PHE A 44 1.272 5.726 5.122 1.00 43.30 C ATOM 531 C PHE A 44 2.623 6.105 5.720 1.00 64.50 C ATOM 532 O PHE A 44 2.693 6.679 6.806 1.00 43.00 O ATOM 533 CB PHE A 44 1.125 4.203 5.089 1.00 61.30 C ATOM 534 CG PHE A 44 -0.296 3.735 5.212 1.00 70.40 C ATOM 535 CD1 PHE A 44 -1.131 4.259 6.186 1.00 63.20 C ATOM 536 CD2 PHE A 44 -0.798 2.769 4.353 1.00 20.20 C ATOM 537 CE1 PHE A 44 -2.440 3.830 6.301 1.00 23.40 C ATOM 538 CE2 PHE A 44 -2.105 2.336 4.464 1.00 61.10 C ATOM 539 CZ PHE A 44 -2.927 2.867 5.439 1.00 52.40 C ATOM 0 H PHE A 44 0.985 5.578 3.050 1.00 53.40 H new ATOM 0 HA PHE A 44 0.487 6.147 5.750 1.00 43.30 H new ATOM 0 HB2 PHE A 44 1.544 3.826 4.156 1.00 61.30 H new ATOM 0 HB3 PHE A 44 1.713 3.772 5.899 1.00 61.30 H new ATOM 0 HD1 PHE A 44 -0.755 5.011 6.863 1.00 63.20 H new ATOM 0 HD2 PHE A 44 -0.160 2.351 3.589 1.00 20.20 H new ATOM 0 HE1 PHE A 44 -3.081 4.247 7.064 1.00 23.40 H new ATOM 0 HE2 PHE A 44 -2.484 1.583 3.789 1.00 61.10 H new ATOM 0 HZ PHE A 44 -3.949 2.530 5.527 1.00 52.40 H new ATOM 549 N LEU A 45 3.694 5.781 5.002 1.00 42.30 N ATOM 550 CA LEU A 45 5.043 6.088 5.462 1.00 40.40 C ATOM 551 C LEU A 45 5.230 7.592 5.636 1.00 24.40 C ATOM 552 O LEU A 45 5.992 8.037 6.494 1.00 24.30 O ATOM 553 CB LEU A 45 6.077 5.545 4.473 1.00 75.40 C ATOM 554 CG LEU A 45 6.085 4.024 4.314 1.00 4.23 C ATOM 555 CD1 LEU A 45 7.087 3.604 3.251 1.00 3.42 C ATOM 556 CD2 LEU A 45 6.401 3.353 5.642 1.00 51.20 C ATOM 0 H LEU A 45 3.653 5.306 4.100 1.00 42.30 H new ATOM 0 HA LEU A 45 5.188 5.608 6.430 1.00 40.40 H new ATOM 0 HB2 LEU A 45 5.896 5.996 3.497 1.00 75.40 H new ATOM 0 HB3 LEU A 45 7.068 5.867 4.794 1.00 75.40 H new ATOM 0 HG LEU A 45 5.093 3.705 3.994 1.00 4.23 H new ATOM 0 HD11 LEU A 45 7.079 2.519 3.152 1.00 3.42 H new ATOM 0 HD12 LEU A 45 6.817 4.058 2.297 1.00 3.42 H new ATOM 0 HD13 LEU A 45 8.085 3.934 3.541 1.00 3.42 H new ATOM 0 HD21 LEU A 45 6.403 2.271 5.512 1.00 51.20 H new ATOM 0 HD22 LEU A 45 7.382 3.678 5.990 1.00 51.20 H new ATOM 0 HD23 LEU A 45 5.645 3.628 6.378 1.00 51.20 H new ATOM 568 N HIS A 46 4.529 8.369 4.817 1.00 74.40 N ATOM 569 CA HIS A 46 4.618 9.823 4.881 1.00 54.40 C ATOM 570 C HIS A 46 4.179 10.336 6.249 1.00 12.20 C ATOM 571 O HIS A 46 4.763 11.277 6.786 1.00 62.10 O ATOM 572 CB HIS A 46 3.756 10.456 3.787 1.00 1.41 C ATOM 573 CG HIS A 46 3.874 11.947 3.719 1.00 63.50 C ATOM 574 ND1 HIS A 46 4.782 12.595 2.908 1.00 11.30 N ATOM 575 CD2 HIS A 46 3.191 12.920 4.368 1.00 33.40 C ATOM 576 CE1 HIS A 46 4.654 13.901 3.061 1.00 60.30 C ATOM 577 NE2 HIS A 46 3.695 14.124 3.941 1.00 42.40 N ATOM 0 H HIS A 46 3.893 8.016 4.102 1.00 74.40 H new ATOM 0 HA HIS A 46 5.659 10.105 4.724 1.00 54.40 H new ATOM 0 HB2 HIS A 46 4.039 10.033 2.823 1.00 1.41 H new ATOM 0 HB3 HIS A 46 2.713 10.190 3.958 1.00 1.41 H new ATOM 0 HD2 HIS A 46 2.398 12.776 5.087 1.00 33.40 H new ATOM 0 HE1 HIS A 46 5.234 14.657 2.553 1.00 60.30 H new ATOM 0 HE2 HIS A 46 3.379 15.042 4.253 1.00 42.40 H new ATOM 586 N VAL A 47 3.148 9.710 6.807 1.00 12.30 N ATOM 587 CA VAL A 47 2.632 10.103 8.113 1.00 72.30 C ATOM 588 C VAL A 47 3.529 9.592 9.235 1.00 23.20 C ATOM 589 O VAL A 47 3.686 10.248 10.265 1.00 33.40 O ATOM 590 CB VAL A 47 1.202 9.575 8.334 1.00 43.20 C ATOM 591 CG1 VAL A 47 0.609 10.153 9.610 1.00 33.30 C ATOM 592 CG2 VAL A 47 0.323 9.897 7.135 1.00 44.40 C ATOM 0 H VAL A 47 2.654 8.929 6.375 1.00 12.30 H new ATOM 0 HA VAL A 47 2.616 11.193 8.132 1.00 72.30 H new ATOM 0 HB VAL A 47 1.248 8.491 8.442 1.00 43.20 H new ATOM 0 HG11 VAL A 47 -0.401 9.768 9.749 1.00 33.30 H new ATOM 0 HG12 VAL A 47 1.227 9.866 10.461 1.00 33.30 H new ATOM 0 HG13 VAL A 47 0.576 11.240 9.536 1.00 33.30 H new ATOM 0 HG21 VAL A 47 -0.683 9.516 7.309 1.00 44.40 H new ATOM 0 HG22 VAL A 47 0.283 10.977 6.993 1.00 44.40 H new ATOM 0 HG23 VAL A 47 0.739 9.429 6.243 1.00 44.40 H new ATOM 602 N VAL A 48 4.115 8.417 9.029 1.00 51.30 N ATOM 603 CA VAL A 48 4.997 7.819 10.023 1.00 24.10 C ATOM 604 C VAL A 48 6.371 8.479 10.008 1.00 41.00 C ATOM 605 O VAL A 48 7.001 8.648 11.052 1.00 63.40 O ATOM 606 CB VAL A 48 5.165 6.306 9.788 1.00 22.10 C ATOM 607 CG1 VAL A 48 5.921 5.666 10.942 1.00 53.10 C ATOM 608 CG2 VAL A 48 3.810 5.642 9.595 1.00 64.10 C ATOM 0 H VAL A 48 3.995 7.861 8.183 1.00 51.30 H new ATOM 0 HA VAL A 48 4.531 7.979 10.995 1.00 24.10 H new ATOM 0 HB VAL A 48 5.748 6.161 8.878 1.00 22.10 H new ATOM 0 HG11 VAL A 48 6.030 4.597 10.758 1.00 53.10 H new ATOM 0 HG12 VAL A 48 6.908 6.122 11.028 1.00 53.10 H new ATOM 0 HG13 VAL A 48 5.368 5.820 11.869 1.00 53.10 H new ATOM 0 HG21 VAL A 48 3.949 4.573 9.430 1.00 64.10 H new ATOM 0 HG22 VAL A 48 3.199 5.796 10.485 1.00 64.10 H new ATOM 0 HG23 VAL A 48 3.310 6.080 8.731 1.00 64.10 H new ATOM 618 N LYS A 49 6.830 8.851 8.818 1.00 14.20 N ATOM 619 CA LYS A 49 8.131 9.493 8.667 1.00 72.00 C ATOM 620 C LYS A 49 8.084 10.938 9.152 1.00 35.50 C ATOM 621 O LYS A 49 8.969 11.389 9.879 1.00 51.20 O ATOM 622 CB LYS A 49 8.578 9.448 7.205 1.00 44.40 C ATOM 623 CG LYS A 49 9.984 9.982 6.982 1.00 4.44 C ATOM 624 CD LYS A 49 9.964 11.442 6.559 1.00 64.20 C ATOM 625 CE LYS A 49 11.348 12.066 6.645 1.00 64.30 C ATOM 626 NZ LYS A 49 12.111 11.901 5.378 1.00 22.30 N ATOM 0 H LYS A 49 6.321 8.719 7.944 1.00 14.20 H new ATOM 0 HA LYS A 49 8.851 8.947 9.277 1.00 72.00 H new ATOM 0 HB2 LYS A 49 8.529 8.419 6.850 1.00 44.40 H new ATOM 0 HB3 LYS A 49 7.879 10.027 6.602 1.00 44.40 H new ATOM 0 HG2 LYS A 49 10.565 9.875 7.898 1.00 4.44 H new ATOM 0 HG3 LYS A 49 10.483 9.387 6.217 1.00 4.44 H new ATOM 0 HD2 LYS A 49 9.591 11.521 5.538 1.00 64.20 H new ATOM 0 HD3 LYS A 49 9.274 11.997 7.194 1.00 64.20 H new ATOM 0 HE2 LYS A 49 11.254 13.127 6.877 1.00 64.30 H new ATOM 0 HE3 LYS A 49 11.902 11.609 7.465 1.00 64.30 H new ATOM 0 HZ1 LYS A 49 13.049 12.340 5.478 1.00 22.30 H new ATOM 0 HZ2 LYS A 49 12.223 10.888 5.170 1.00 22.30 H new ATOM 0 HZ3 LYS A 49 11.595 12.359 4.600 1.00 22.30 H new ATOM 640 N TYR A 50 7.045 11.660 8.745 1.00 21.50 N ATOM 641 CA TYR A 50 6.882 13.055 9.139 1.00 53.10 C ATOM 642 C TYR A 50 6.511 13.164 10.614 1.00 40.30 C ATOM 643 O TYR A 50 7.334 13.550 11.445 1.00 21.10 O ATOM 644 CB TYR A 50 5.810 13.727 8.280 1.00 44.40 C ATOM 645 CG TYR A 50 6.294 14.120 6.902 1.00 44.00 C ATOM 646 CD1 TYR A 50 6.877 13.184 6.057 1.00 43.30 C ATOM 647 CD2 TYR A 50 6.169 15.427 6.448 1.00 62.00 C ATOM 648 CE1 TYR A 50 7.322 13.539 4.798 1.00 40.00 C ATOM 649 CE2 TYR A 50 6.611 15.789 5.189 1.00 5.42 C ATOM 650 CZ TYR A 50 7.186 14.842 4.369 1.00 42.30 C ATOM 651 OH TYR A 50 7.628 15.200 3.116 1.00 40.40 O ATOM 0 H TYR A 50 6.303 11.302 8.143 1.00 21.50 H new ATOM 0 HA TYR A 50 7.833 13.564 8.984 1.00 53.10 H new ATOM 0 HB2 TYR A 50 4.962 13.050 8.178 1.00 44.40 H new ATOM 0 HB3 TYR A 50 5.448 14.616 8.796 1.00 44.40 H new ATOM 0 HD1 TYR A 50 6.984 12.162 6.390 1.00 43.30 H new ATOM 0 HD2 TYR A 50 5.720 16.172 7.088 1.00 62.00 H new ATOM 0 HE1 TYR A 50 7.774 12.800 4.153 1.00 40.00 H new ATOM 0 HE2 TYR A 50 6.506 16.809 4.850 1.00 5.42 H new ATOM 0 HH TYR A 50 7.457 16.154 2.969 1.00 40.40 H new ATOM 661 N GLU A 51 5.267 12.822 10.933 1.00 5.30 N ATOM 662 CA GLU A 51 4.787 12.882 12.309 1.00 72.50 C ATOM 663 C GLU A 51 3.445 12.170 12.448 1.00 10.00 C ATOM 664 O GLU A 51 2.393 12.750 12.181 1.00 20.30 O ATOM 665 CB GLU A 51 4.654 14.337 12.762 1.00 40.50 C ATOM 666 CG GLU A 51 3.975 15.234 11.739 1.00 2.12 C ATOM 667 CD GLU A 51 3.299 16.433 12.373 1.00 13.50 C ATOM 668 OE1 GLU A 51 2.260 16.245 13.040 1.00 3.40 O ATOM 669 OE2 GLU A 51 3.808 17.561 12.203 1.00 64.40 O ATOM 0 H GLU A 51 4.573 12.501 10.258 1.00 5.30 H new ATOM 0 HA GLU A 51 5.515 12.376 12.944 1.00 72.50 H new ATOM 0 HB2 GLU A 51 4.088 14.369 13.693 1.00 40.50 H new ATOM 0 HB3 GLU A 51 5.646 14.733 12.979 1.00 40.50 H new ATOM 0 HG2 GLU A 51 4.714 15.579 11.016 1.00 2.12 H new ATOM 0 HG3 GLU A 51 3.235 14.654 11.187 1.00 2.12 H new ATOM 676 N ALA A 52 3.491 10.910 12.869 1.00 12.30 N ATOM 677 CA ALA A 52 2.279 10.119 13.044 1.00 54.30 C ATOM 678 C ALA A 52 1.347 10.761 14.066 1.00 53.40 C ATOM 679 O ALA A 52 1.574 11.889 14.505 1.00 62.00 O ATOM 680 CB ALA A 52 2.632 8.701 13.467 1.00 64.10 C ATOM 0 H ALA A 52 4.354 10.416 13.095 1.00 12.30 H new ATOM 0 HA ALA A 52 1.757 10.083 12.088 1.00 54.30 H new ATOM 0 HB1 ALA A 52 1.718 8.121 13.594 1.00 64.10 H new ATOM 0 HB2 ALA A 52 3.253 8.237 12.701 1.00 64.10 H new ATOM 0 HB3 ALA A 52 3.179 8.728 14.410 1.00 64.10 H new ATOM 686 N GLN A 53 0.299 10.036 14.441 1.00 62.40 N ATOM 687 CA GLN A 53 -0.668 10.535 15.412 1.00 51.30 C ATOM 688 C GLN A 53 -0.312 10.073 16.821 1.00 41.20 C ATOM 689 O GLN A 53 -0.582 10.769 17.800 1.00 62.40 O ATOM 690 CB GLN A 53 -2.077 10.064 15.048 1.00 63.10 C ATOM 691 CG GLN A 53 -2.192 8.557 14.887 1.00 75.30 C ATOM 692 CD GLN A 53 -3.630 8.089 14.784 1.00 54.10 C ATOM 693 OE1 GLN A 53 -4.232 7.674 15.774 1.00 55.30 O ATOM 694 NE2 GLN A 53 -4.189 8.154 13.581 1.00 73.50 N ATOM 0 H GLN A 53 0.097 9.101 14.087 1.00 62.40 H new ATOM 0 HA GLN A 53 -0.640 11.624 15.389 1.00 51.30 H new ATOM 0 HB2 GLN A 53 -2.772 10.393 15.821 1.00 63.10 H new ATOM 0 HB3 GLN A 53 -2.383 10.545 14.119 1.00 63.10 H new ATOM 0 HG2 GLN A 53 -1.649 8.248 13.994 1.00 75.30 H new ATOM 0 HG3 GLN A 53 -1.714 8.067 15.736 1.00 75.30 H new ATOM 0 HE21 GLN A 53 -3.653 8.505 12.788 1.00 73.50 H new ATOM 0 HE22 GLN A 53 -5.155 7.853 13.450 1.00 73.50 H new ATOM 703 N GLY A 54 0.295 8.895 16.916 1.00 50.10 N ATOM 704 CA GLY A 54 0.678 8.360 18.210 1.00 11.20 C ATOM 705 C GLY A 54 1.653 7.205 18.095 1.00 42.30 C ATOM 706 O GLY A 54 1.909 6.707 16.999 1.00 53.20 O ATOM 0 H GLY A 54 0.529 8.301 16.120 1.00 50.10 H new ATOM 0 HA2 GLY A 54 1.127 9.152 18.809 1.00 11.20 H new ATOM 0 HA3 GLY A 54 -0.214 8.027 18.740 1.00 11.20 H new ATOM 710 N ASP A 55 2.198 6.779 19.229 1.00 4.01 N ATOM 711 CA ASP A 55 3.150 5.675 19.251 1.00 20.20 C ATOM 712 C ASP A 55 2.505 4.389 18.745 1.00 52.20 C ATOM 713 O ASP A 55 3.032 3.729 17.850 1.00 13.10 O ATOM 714 CB ASP A 55 3.688 5.466 20.668 1.00 64.10 C ATOM 715 CG ASP A 55 4.643 6.564 21.092 1.00 50.20 C ATOM 716 OD1 ASP A 55 5.199 7.243 20.203 1.00 42.00 O ATOM 717 OD2 ASP A 55 4.836 6.745 22.313 1.00 25.10 O ATOM 0 H ASP A 55 1.997 7.181 20.145 1.00 4.01 H new ATOM 0 HA ASP A 55 3.978 5.929 18.589 1.00 20.20 H new ATOM 0 HB2 ASP A 55 2.853 5.424 21.368 1.00 64.10 H new ATOM 0 HB3 ASP A 55 4.198 4.504 20.722 1.00 64.10 H new ATOM 722 N LYS A 56 1.361 4.039 19.324 1.00 32.30 N ATOM 723 CA LYS A 56 0.644 2.832 18.931 1.00 54.20 C ATOM 724 C LYS A 56 0.229 2.898 17.465 1.00 31.40 C ATOM 725 O LYS A 56 0.155 1.876 16.784 1.00 21.30 O ATOM 726 CB LYS A 56 -0.590 2.637 19.815 1.00 15.30 C ATOM 727 CG LYS A 56 -0.274 2.598 21.301 1.00 4.40 C ATOM 728 CD LYS A 56 -1.387 3.227 22.123 1.00 12.40 C ATOM 729 CE LYS A 56 -0.976 3.403 23.576 1.00 52.10 C ATOM 730 NZ LYS A 56 -0.755 2.095 24.253 1.00 41.10 N ATOM 0 H LYS A 56 0.911 4.574 20.067 1.00 32.30 H new ATOM 0 HA LYS A 56 1.314 1.982 19.061 1.00 54.20 H new ATOM 0 HB2 LYS A 56 -1.295 3.446 19.623 1.00 15.30 H new ATOM 0 HB3 LYS A 56 -1.086 1.708 19.533 1.00 15.30 H new ATOM 0 HG2 LYS A 56 -0.127 1.565 21.616 1.00 4.40 H new ATOM 0 HG3 LYS A 56 0.661 3.125 21.489 1.00 4.40 H new ATOM 0 HD2 LYS A 56 -1.651 4.196 21.699 1.00 12.40 H new ATOM 0 HD3 LYS A 56 -2.278 2.602 22.069 1.00 12.40 H new ATOM 0 HE2 LYS A 56 -0.063 3.996 23.626 1.00 52.10 H new ATOM 0 HE3 LYS A 56 -1.748 3.961 24.107 1.00 52.10 H new ATOM 0 HZ1 LYS A 56 -0.509 2.257 25.250 1.00 41.10 H new ATOM 0 HZ2 LYS A 56 -1.623 1.525 24.199 1.00 41.10 H new ATOM 0 HZ3 LYS A 56 0.022 1.588 23.783 1.00 41.10 H new ATOM 744 N ALA A 57 -0.042 4.108 16.986 1.00 23.30 N ATOM 745 CA ALA A 57 -0.449 4.308 15.601 1.00 72.30 C ATOM 746 C ALA A 57 0.709 4.044 14.645 1.00 53.10 C ATOM 747 O ALA A 57 0.528 3.444 13.585 1.00 22.10 O ATOM 748 CB ALA A 57 -0.985 5.718 15.408 1.00 11.20 C ATOM 0 H ALA A 57 0.013 4.964 17.537 1.00 23.30 H new ATOM 0 HA ALA A 57 -1.242 3.595 15.374 1.00 72.30 H new ATOM 0 HB1 ALA A 57 -1.285 5.854 14.369 1.00 11.20 H new ATOM 0 HB2 ALA A 57 -1.846 5.872 16.058 1.00 11.20 H new ATOM 0 HB3 ALA A 57 -0.208 6.440 15.658 1.00 11.20 H new ATOM 754 N LYS A 58 1.899 4.496 15.026 1.00 53.10 N ATOM 755 CA LYS A 58 3.087 4.309 14.202 1.00 13.10 C ATOM 756 C LYS A 58 3.370 2.826 13.983 1.00 72.30 C ATOM 757 O LYS A 58 3.577 2.384 12.853 1.00 14.20 O ATOM 758 CB LYS A 58 4.297 4.979 14.856 1.00 54.20 C ATOM 759 CG LYS A 58 4.189 6.493 14.927 1.00 2.50 C ATOM 760 CD LYS A 58 5.081 7.064 16.018 1.00 51.50 C ATOM 761 CE LYS A 58 4.777 8.532 16.274 1.00 40.40 C ATOM 762 NZ LYS A 58 5.840 9.186 17.086 1.00 34.30 N ATOM 0 H LYS A 58 2.066 4.994 15.900 1.00 53.10 H new ATOM 0 HA LYS A 58 2.903 4.772 13.233 1.00 13.10 H new ATOM 0 HB2 LYS A 58 4.420 4.584 15.865 1.00 54.20 H new ATOM 0 HB3 LYS A 58 5.195 4.713 14.298 1.00 54.20 H new ATOM 0 HG2 LYS A 58 4.467 6.924 13.965 1.00 2.50 H new ATOM 0 HG3 LYS A 58 3.154 6.777 15.116 1.00 2.50 H new ATOM 0 HD2 LYS A 58 4.941 6.496 16.938 1.00 51.50 H new ATOM 0 HD3 LYS A 58 6.126 6.952 15.730 1.00 51.50 H new ATOM 0 HE2 LYS A 58 4.675 9.053 15.322 1.00 40.40 H new ATOM 0 HE3 LYS A 58 3.821 8.620 16.789 1.00 40.40 H new ATOM 0 HZ1 LYS A 58 5.595 10.185 17.238 1.00 34.30 H new ATOM 0 HZ2 LYS A 58 5.920 8.705 18.005 1.00 34.30 H new ATOM 0 HZ3 LYS A 58 6.748 9.125 16.583 1.00 34.30 H new ATOM 776 N GLN A 59 3.375 2.063 15.071 1.00 10.50 N ATOM 777 CA GLN A 59 3.632 0.629 14.997 1.00 12.30 C ATOM 778 C GLN A 59 2.589 -0.066 14.128 1.00 53.40 C ATOM 779 O GLN A 59 2.887 -1.050 13.450 1.00 34.30 O ATOM 780 CB GLN A 59 3.635 0.018 16.399 1.00 40.10 C ATOM 781 CG GLN A 59 2.367 0.300 17.188 1.00 53.10 C ATOM 782 CD GLN A 59 2.368 -0.367 18.550 1.00 0.02 C ATOM 783 OE1 GLN A 59 2.692 0.258 19.560 1.00 75.20 O ATOM 784 NE2 GLN A 59 2.003 -1.644 18.584 1.00 50.40 N ATOM 0 H GLN A 59 3.204 2.413 16.014 1.00 10.50 H new ATOM 0 HA GLN A 59 4.612 0.483 14.543 1.00 12.30 H new ATOM 0 HB2 GLN A 59 3.769 -1.061 16.316 1.00 40.10 H new ATOM 0 HB3 GLN A 59 4.491 0.404 16.953 1.00 40.10 H new ATOM 0 HG2 GLN A 59 2.254 1.377 17.315 1.00 53.10 H new ATOM 0 HG3 GLN A 59 1.504 -0.046 16.619 1.00 53.10 H new ATOM 0 HE21 GLN A 59 1.742 -2.123 17.722 1.00 50.40 H new ATOM 0 HE22 GLN A 59 1.984 -2.145 19.472 1.00 50.40 H new ATOM 793 N SER A 60 1.365 0.451 14.154 1.00 41.30 N ATOM 794 CA SER A 60 0.277 -0.121 13.369 1.00 64.10 C ATOM 795 C SER A 60 0.543 0.036 11.875 1.00 62.50 C ATOM 796 O SER A 60 0.318 -0.887 11.094 1.00 51.00 O ATOM 797 CB SER A 60 -1.050 0.546 13.735 1.00 40.30 C ATOM 798 OG SER A 60 -2.150 -0.250 13.331 1.00 21.10 O ATOM 0 H SER A 60 1.102 1.265 14.710 1.00 41.30 H new ATOM 0 HA SER A 60 0.217 -1.185 13.599 1.00 64.10 H new ATOM 0 HB2 SER A 60 -1.093 0.711 14.812 1.00 40.30 H new ATOM 0 HB3 SER A 60 -1.112 1.525 13.260 1.00 40.30 H new ATOM 0 HG SER A 60 -2.986 0.198 13.578 1.00 21.10 H new ATOM 804 N ILE A 61 1.025 1.212 11.486 1.00 24.10 N ATOM 805 CA ILE A 61 1.322 1.491 10.086 1.00 63.30 C ATOM 806 C ILE A 61 2.567 0.738 9.630 1.00 72.10 C ATOM 807 O ILE A 61 2.661 0.314 8.478 1.00 22.00 O ATOM 808 CB ILE A 61 1.528 2.998 9.843 1.00 53.10 C ATOM 809 CG1 ILE A 61 0.359 3.795 10.426 1.00 75.30 C ATOM 810 CG2 ILE A 61 1.678 3.282 8.356 1.00 61.30 C ATOM 811 CD1 ILE A 61 0.671 5.262 10.630 1.00 44.30 C ATOM 0 H ILE A 61 1.218 1.987 12.121 1.00 24.10 H new ATOM 0 HA ILE A 61 0.463 1.154 9.507 1.00 63.30 H new ATOM 0 HB ILE A 61 2.444 3.308 10.346 1.00 53.10 H new ATOM 0 HG12 ILE A 61 -0.500 3.703 9.762 1.00 75.30 H new ATOM 0 HG13 ILE A 61 0.071 3.357 11.382 1.00 75.30 H new ATOM 0 HG21 ILE A 61 1.823 4.351 8.203 1.00 61.30 H new ATOM 0 HG22 ILE A 61 2.540 2.740 7.967 1.00 61.30 H new ATOM 0 HG23 ILE A 61 0.779 2.959 7.831 1.00 61.30 H new ATOM 0 HD11 ILE A 61 -0.202 5.765 11.046 1.00 44.30 H new ATOM 0 HD12 ILE A 61 1.510 5.363 11.318 1.00 44.30 H new ATOM 0 HD13 ILE A 61 0.930 5.715 9.673 1.00 44.30 H new ATOM 823 N ARG A 62 3.521 0.574 10.541 1.00 22.30 N ATOM 824 CA ARG A 62 4.761 -0.129 10.231 1.00 71.30 C ATOM 825 C ARG A 62 4.478 -1.561 9.791 1.00 62.20 C ATOM 826 O ARG A 62 4.987 -2.019 8.768 1.00 2.25 O ATOM 827 CB ARG A 62 5.688 -0.130 11.448 1.00 54.40 C ATOM 828 CG ARG A 62 6.591 1.089 11.526 1.00 21.10 C ATOM 829 CD ARG A 62 7.801 0.831 12.410 1.00 61.50 C ATOM 830 NE ARG A 62 7.445 0.782 13.826 1.00 1.00 N ATOM 831 CZ ARG A 62 8.225 0.259 14.769 1.00 45.00 C ATOM 832 NH1 ARG A 62 9.405 -0.259 14.452 1.00 32.50 N ATOM 833 NH2 ARG A 62 7.825 0.255 16.033 1.00 1.45 N ATOM 0 H ARG A 62 3.459 0.918 11.499 1.00 22.30 H new ATOM 0 HA ARG A 62 5.251 0.394 9.410 1.00 71.30 H new ATOM 0 HB2 ARG A 62 5.084 -0.183 12.354 1.00 54.40 H new ATOM 0 HB3 ARG A 62 6.305 -1.028 11.423 1.00 54.40 H new ATOM 0 HG2 ARG A 62 6.923 1.362 10.524 1.00 21.10 H new ATOM 0 HG3 ARG A 62 6.027 1.936 11.917 1.00 21.10 H new ATOM 0 HD2 ARG A 62 8.267 -0.111 12.121 1.00 61.50 H new ATOM 0 HD3 ARG A 62 8.541 1.615 12.249 1.00 61.50 H new ATOM 0 HE ARG A 62 6.546 1.172 14.109 1.00 1.00 H new ATOM 0 HH11 ARG A 62 9.718 -0.258 13.481 1.00 32.50 H new ATOM 0 HH12 ARG A 62 9.999 -0.658 15.179 1.00 32.50 H new ATOM 0 HH21 ARG A 62 6.920 0.653 16.283 1.00 1.45 H new ATOM 0 HH22 ARG A 62 8.423 -0.146 16.756 1.00 1.45 H new ATOM 847 N ALA A 63 3.662 -2.264 10.570 1.00 12.00 N ATOM 848 CA ALA A 63 3.311 -3.644 10.260 1.00 62.40 C ATOM 849 C ALA A 63 2.454 -3.722 9.001 1.00 3.33 C ATOM 850 O ALA A 63 2.512 -4.702 8.258 1.00 41.20 O ATOM 851 CB ALA A 63 2.584 -4.280 11.436 1.00 72.40 C ATOM 0 H ALA A 63 3.232 -1.900 11.420 1.00 12.00 H new ATOM 0 HA ALA A 63 4.233 -4.196 10.075 1.00 62.40 H new ATOM 0 HB1 ALA A 63 2.328 -5.311 11.191 1.00 72.40 H new ATOM 0 HB2 ALA A 63 3.230 -4.266 12.314 1.00 72.40 H new ATOM 0 HB3 ALA A 63 1.673 -3.720 11.647 1.00 72.40 H new ATOM 857 N LYS A 64 1.659 -2.683 8.767 1.00 71.40 N ATOM 858 CA LYS A 64 0.790 -2.633 7.598 1.00 14.10 C ATOM 859 C LYS A 64 1.589 -2.312 6.339 1.00 41.30 C ATOM 860 O LYS A 64 1.383 -2.920 5.289 1.00 12.30 O ATOM 861 CB LYS A 64 -0.310 -1.589 7.798 1.00 12.30 C ATOM 862 CG LYS A 64 -1.317 -1.966 8.871 1.00 43.00 C ATOM 863 CD LYS A 64 -1.927 -0.733 9.520 1.00 52.50 C ATOM 864 CE LYS A 64 -3.036 -0.143 8.663 1.00 0.01 C ATOM 865 NZ LYS A 64 -4.165 0.366 9.490 1.00 11.10 N ATOM 0 H LYS A 64 1.599 -1.864 9.372 1.00 71.40 H new ATOM 0 HA LYS A 64 0.332 -3.614 7.475 1.00 14.10 H new ATOM 0 HB2 LYS A 64 0.149 -0.636 8.061 1.00 12.30 H new ATOM 0 HB3 LYS A 64 -0.835 -1.441 6.854 1.00 12.30 H new ATOM 0 HG2 LYS A 64 -2.107 -2.576 8.432 1.00 43.00 H new ATOM 0 HG3 LYS A 64 -0.829 -2.575 9.632 1.00 43.00 H new ATOM 0 HD2 LYS A 64 -2.324 -0.995 10.501 1.00 52.50 H new ATOM 0 HD3 LYS A 64 -1.152 0.016 9.680 1.00 52.50 H new ATOM 0 HE2 LYS A 64 -2.634 0.670 8.058 1.00 0.01 H new ATOM 0 HE3 LYS A 64 -3.405 -0.902 7.973 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 -4.900 0.760 8.869 1.00 11.10 H new ATOM 0 HZ2 LYS A 64 -4.565 -0.414 10.049 1.00 11.10 H new ATOM 0 HZ3 LYS A 64 -3.819 1.108 10.131 1.00 11.10 H new ATOM 879 N CYS A 65 2.502 -1.353 6.453 1.00 4.44 N ATOM 880 CA CYS A 65 3.333 -0.951 5.324 1.00 34.40 C ATOM 881 C CYS A 65 4.167 -2.123 4.817 1.00 41.40 C ATOM 882 O CYS A 65 4.475 -2.210 3.629 1.00 60.30 O ATOM 883 CB CYS A 65 4.250 0.206 5.726 1.00 65.10 C ATOM 884 SG CYS A 65 3.513 1.843 5.506 1.00 11.20 S ATOM 0 H CYS A 65 2.685 -0.840 7.315 1.00 4.44 H new ATOM 0 HA CYS A 65 2.675 -0.622 4.520 1.00 34.40 H new ATOM 0 HB2 CYS A 65 4.533 0.084 6.771 1.00 65.10 H new ATOM 0 HB3 CYS A 65 5.167 0.150 5.139 1.00 65.10 H new ATOM 0 HG CYS A 65 2.669 1.810 4.518 1.00 11.20 H new ATOM 890 N THR A 66 4.528 -3.023 5.726 1.00 31.40 N ATOM 891 CA THR A 66 5.327 -4.190 5.370 1.00 73.30 C ATOM 892 C THR A 66 4.445 -5.301 4.809 1.00 33.00 C ATOM 893 O THR A 66 4.877 -6.079 3.957 1.00 62.50 O ATOM 894 CB THR A 66 6.096 -4.700 6.590 1.00 0.34 C ATOM 895 OG1 THR A 66 6.861 -5.844 6.257 1.00 13.20 O ATOM 896 CG2 THR A 66 5.198 -5.069 7.751 1.00 14.10 C ATOM 0 H THR A 66 4.280 -2.967 6.714 1.00 31.40 H new ATOM 0 HA THR A 66 6.039 -3.891 4.600 1.00 73.30 H new ATOM 0 HB THR A 66 6.736 -3.873 6.896 1.00 0.34 H new ATOM 0 HG1 THR A 66 7.347 -6.155 7.049 1.00 13.20 H new ATOM 0 HG21 THR A 66 5.806 -5.423 8.583 1.00 14.10 H new ATOM 0 HG22 THR A 66 4.629 -4.193 8.064 1.00 14.10 H new ATOM 0 HG23 THR A 66 4.511 -5.857 7.443 1.00 14.10 H new ATOM 904 N GLU A 67 3.209 -5.370 5.291 1.00 73.40 N ATOM 905 CA GLU A 67 2.267 -6.386 4.838 1.00 40.30 C ATOM 906 C GLU A 67 1.787 -6.089 3.421 1.00 30.10 C ATOM 907 O GLU A 67 1.786 -6.967 2.558 1.00 22.00 O ATOM 908 CB GLU A 67 1.070 -6.463 5.788 1.00 15.40 C ATOM 909 CG GLU A 67 0.056 -7.528 5.405 1.00 63.50 C ATOM 910 CD GLU A 67 -0.646 -8.124 6.609 1.00 14.30 C ATOM 911 OE1 GLU A 67 -1.454 -7.409 7.239 1.00 41.10 O ATOM 912 OE2 GLU A 67 -0.389 -9.305 6.922 1.00 64.30 O ATOM 0 H GLU A 67 2.836 -4.734 5.996 1.00 73.40 H new ATOM 0 HA GLU A 67 2.782 -7.347 4.835 1.00 40.30 H new ATOM 0 HB2 GLU A 67 1.430 -6.663 6.797 1.00 15.40 H new ATOM 0 HB3 GLU A 67 0.574 -5.493 5.813 1.00 15.40 H new ATOM 0 HG2 GLU A 67 -0.686 -7.094 4.735 1.00 63.50 H new ATOM 0 HG3 GLU A 67 0.559 -8.322 4.853 1.00 63.50 H new ATOM 919 N TYR A 68 1.380 -4.845 3.188 1.00 34.30 N ATOM 920 CA TYR A 68 0.898 -4.432 1.875 1.00 72.50 C ATOM 921 C TYR A 68 2.028 -4.447 0.851 1.00 22.30 C ATOM 922 O TYR A 68 1.825 -4.810 -0.308 1.00 35.10 O ATOM 923 CB TYR A 68 0.281 -3.034 1.951 1.00 52.40 C ATOM 924 CG TYR A 68 -0.898 -2.943 2.893 1.00 3.24 C ATOM 925 CD1 TYR A 68 -1.901 -3.904 2.876 1.00 11.40 C ATOM 926 CD2 TYR A 68 -1.008 -1.896 3.800 1.00 54.10 C ATOM 927 CE1 TYR A 68 -2.981 -3.823 3.735 1.00 24.20 C ATOM 928 CE2 TYR A 68 -2.084 -1.809 4.662 1.00 42.20 C ATOM 929 CZ TYR A 68 -3.067 -2.774 4.626 1.00 22.40 C ATOM 930 OH TYR A 68 -4.141 -2.691 5.483 1.00 64.20 O ATOM 0 H TYR A 68 1.374 -4.106 3.891 1.00 34.30 H new ATOM 0 HA TYR A 68 0.134 -5.141 1.557 1.00 72.50 H new ATOM 0 HB2 TYR A 68 1.046 -2.325 2.270 1.00 52.40 H new ATOM 0 HB3 TYR A 68 -0.038 -2.732 0.953 1.00 52.40 H new ATOM 0 HD1 TYR A 68 -1.836 -4.728 2.180 1.00 11.40 H new ATOM 0 HD2 TYR A 68 -0.240 -1.138 3.832 1.00 54.10 H new ATOM 0 HE1 TYR A 68 -3.753 -4.577 3.708 1.00 24.20 H new ATOM 0 HE2 TYR A 68 -2.154 -0.989 5.361 1.00 42.20 H new ATOM 0 HH TYR A 68 -4.049 -1.894 6.046 1.00 64.20 H new ATOM 940 N LEU A 69 3.219 -4.049 1.286 1.00 45.10 N ATOM 941 CA LEU A 69 4.382 -4.017 0.407 1.00 10.50 C ATOM 942 C LEU A 69 4.693 -5.408 -0.137 1.00 70.10 C ATOM 943 O LEU A 69 4.965 -5.574 -1.326 1.00 61.40 O ATOM 944 CB LEU A 69 5.598 -3.465 1.155 1.00 14.20 C ATOM 945 CG LEU A 69 5.740 -1.943 1.125 1.00 3.14 C ATOM 946 CD1 LEU A 69 6.915 -1.500 1.984 1.00 51.50 C ATOM 947 CD2 LEU A 69 5.908 -1.452 -0.305 1.00 21.40 C ATOM 0 H LEU A 69 3.404 -3.744 2.242 1.00 45.10 H new ATOM 0 HA LEU A 69 4.153 -3.362 -0.433 1.00 10.50 H new ATOM 0 HB2 LEU A 69 5.544 -3.789 2.194 1.00 14.20 H new ATOM 0 HB3 LEU A 69 6.499 -3.907 0.729 1.00 14.20 H new ATOM 0 HG LEU A 69 4.830 -1.504 1.535 1.00 3.14 H new ATOM 0 HD11 LEU A 69 7.001 -0.414 1.951 1.00 51.50 H new ATOM 0 HD12 LEU A 69 6.754 -1.820 3.013 1.00 51.50 H new ATOM 0 HD13 LEU A 69 7.833 -1.948 1.604 1.00 51.50 H new ATOM 0 HD21 LEU A 69 6.008 -0.367 -0.308 1.00 21.40 H new ATOM 0 HD22 LEU A 69 6.801 -1.899 -0.741 1.00 21.40 H new ATOM 0 HD23 LEU A 69 5.036 -1.738 -0.893 1.00 21.40 H new ATOM 959 N ASP A 70 4.650 -6.404 0.742 1.00 13.20 N ATOM 960 CA ASP A 70 4.926 -7.781 0.350 1.00 12.30 C ATOM 961 C ASP A 70 3.899 -8.275 -0.663 1.00 60.00 C ATOM 962 O ASP A 70 4.230 -9.020 -1.585 1.00 34.10 O ATOM 963 CB ASP A 70 4.928 -8.692 1.579 1.00 51.30 C ATOM 964 CG ASP A 70 5.670 -9.991 1.334 1.00 43.30 C ATOM 965 OD1 ASP A 70 6.770 -9.945 0.745 1.00 65.10 O ATOM 966 OD2 ASP A 70 5.151 -11.050 1.732 1.00 63.00 O ATOM 0 H ASP A 70 4.427 -6.283 1.730 1.00 13.20 H new ATOM 0 HA ASP A 70 5.911 -7.809 -0.116 1.00 12.30 H new ATOM 0 HB2 ASP A 70 5.387 -8.167 2.416 1.00 51.30 H new ATOM 0 HB3 ASP A 70 3.900 -8.913 1.866 1.00 51.30 H new ATOM 971 N ARG A 71 2.650 -7.857 -0.484 1.00 44.10 N ATOM 972 CA ARG A 71 1.574 -8.257 -1.382 1.00 63.20 C ATOM 973 C ARG A 71 1.761 -7.641 -2.765 1.00 4.21 C ATOM 974 O ARG A 71 1.589 -8.311 -3.783 1.00 74.10 O ATOM 975 CB ARG A 71 0.219 -7.842 -0.806 1.00 0.43 C ATOM 976 CG ARG A 71 -0.967 -8.395 -1.580 1.00 12.20 C ATOM 977 CD ARG A 71 -1.509 -9.662 -0.939 1.00 23.50 C ATOM 978 NE ARG A 71 -2.941 -9.827 -1.178 1.00 51.30 N ATOM 979 CZ ARG A 71 -3.722 -10.630 -0.468 1.00 64.50 C ATOM 980 NH1 ARG A 71 -3.215 -11.350 0.525 1.00 44.20 N ATOM 981 NH2 ARG A 71 -5.014 -10.720 -0.752 1.00 54.20 N ATOM 0 H ARG A 71 2.359 -7.241 0.275 1.00 44.10 H new ATOM 0 HA ARG A 71 1.602 -9.342 -1.480 1.00 63.20 H new ATOM 0 HB2 ARG A 71 0.155 -8.178 0.229 1.00 0.43 H new ATOM 0 HB3 ARG A 71 0.158 -6.754 -0.792 1.00 0.43 H new ATOM 0 HG2 ARG A 71 -1.755 -7.643 -1.626 1.00 12.20 H new ATOM 0 HG3 ARG A 71 -0.667 -8.605 -2.607 1.00 12.20 H new ATOM 0 HD2 ARG A 71 -0.974 -10.526 -1.334 1.00 23.50 H new ATOM 0 HD3 ARG A 71 -1.321 -9.634 0.134 1.00 23.50 H new ATOM 0 HE ARG A 71 -3.365 -9.293 -1.936 1.00 51.30 H new ATOM 0 HH11 ARG A 71 -2.221 -11.287 0.745 1.00 44.20 H new ATOM 0 HH12 ARG A 71 -3.819 -11.966 1.068 1.00 44.20 H new ATOM 0 HH21 ARG A 71 -5.407 -10.172 -1.517 1.00 54.20 H new ATOM 0 HH22 ARG A 71 -5.614 -11.338 -0.206 1.00 54.20 H new ATOM 995 N ALA A 72 2.115 -6.360 -2.793 1.00 33.50 N ATOM 996 CA ALA A 72 2.326 -5.654 -4.051 1.00 72.00 C ATOM 997 C ALA A 72 3.660 -6.040 -4.681 1.00 53.40 C ATOM 998 O ALA A 72 3.800 -6.050 -5.904 1.00 53.50 O ATOM 999 CB ALA A 72 2.261 -4.150 -3.828 1.00 63.00 C ATOM 0 H ALA A 72 2.262 -5.791 -1.960 1.00 33.50 H new ATOM 0 HA ALA A 72 1.532 -5.944 -4.740 1.00 72.00 H new ATOM 0 HB1 ALA A 72 2.420 -3.635 -4.775 1.00 63.00 H new ATOM 0 HB2 ALA A 72 1.282 -3.883 -3.430 1.00 63.00 H new ATOM 0 HB3 ALA A 72 3.034 -3.854 -3.119 1.00 63.00 H new ATOM 1005 N GLU A 73 4.637 -6.358 -3.838 1.00 75.10 N ATOM 1006 CA GLU A 73 5.960 -6.745 -4.312 1.00 64.50 C ATOM 1007 C GLU A 73 5.883 -8.000 -5.176 1.00 23.30 C ATOM 1008 O GLU A 73 6.465 -8.057 -6.259 1.00 3.34 O ATOM 1009 CB GLU A 73 6.900 -6.984 -3.129 1.00 24.30 C ATOM 1010 CG GLU A 73 7.651 -5.738 -2.689 1.00 42.30 C ATOM 1011 CD GLU A 73 9.079 -6.035 -2.273 1.00 43.10 C ATOM 1012 OE1 GLU A 73 9.692 -6.947 -2.866 1.00 15.20 O ATOM 1013 OE2 GLU A 73 9.583 -5.355 -1.354 1.00 32.10 O ATOM 0 H GLU A 73 4.537 -6.355 -2.823 1.00 75.10 H new ATOM 0 HA GLU A 73 6.353 -5.930 -4.920 1.00 64.50 H new ATOM 0 HB2 GLU A 73 6.322 -7.366 -2.288 1.00 24.30 H new ATOM 0 HB3 GLU A 73 7.620 -7.757 -3.398 1.00 24.30 H new ATOM 0 HG2 GLU A 73 7.657 -5.015 -3.504 1.00 42.30 H new ATOM 0 HG3 GLU A 73 7.122 -5.275 -1.856 1.00 42.30 H new ATOM 1020 N LYS A 74 5.160 -9.004 -4.689 1.00 73.30 N ATOM 1021 CA LYS A 74 5.007 -10.250 -5.417 1.00 34.30 C ATOM 1022 C LYS A 74 4.066 -10.080 -6.605 1.00 51.00 C ATOM 1023 O LYS A 74 4.275 -10.670 -7.666 1.00 42.50 O ATOM 1024 CB LYS A 74 4.477 -11.350 -4.486 1.00 44.30 C ATOM 1025 CG LYS A 74 5.571 -12.090 -3.732 1.00 64.10 C ATOM 1026 CD LYS A 74 4.994 -13.170 -2.833 1.00 33.30 C ATOM 1027 CE LYS A 74 5.919 -14.370 -2.744 1.00 62.40 C ATOM 1028 NZ LYS A 74 5.170 -15.630 -2.484 1.00 1.41 N ATOM 0 H LYS A 74 4.673 -8.975 -3.793 1.00 73.30 H new ATOM 0 HA LYS A 74 5.988 -10.540 -5.794 1.00 34.30 H new ATOM 0 HB2 LYS A 74 3.789 -10.905 -3.767 1.00 44.30 H new ATOM 0 HB3 LYS A 74 3.904 -12.067 -5.074 1.00 44.30 H new ATOM 0 HG2 LYS A 74 6.265 -12.539 -4.443 1.00 64.10 H new ATOM 0 HG3 LYS A 74 6.143 -11.383 -3.132 1.00 64.10 H new ATOM 0 HD2 LYS A 74 4.826 -12.764 -1.836 1.00 33.30 H new ATOM 0 HD3 LYS A 74 4.023 -13.485 -3.217 1.00 33.30 H new ATOM 0 HE2 LYS A 74 6.479 -14.466 -3.674 1.00 62.40 H new ATOM 0 HE3 LYS A 74 6.647 -14.209 -1.948 1.00 62.40 H new ATOM 0 HZ1 LYS A 74 5.837 -16.426 -2.430 1.00 1.41 H new ATOM 0 HZ2 LYS A 74 4.655 -15.548 -1.584 1.00 1.41 H new ATOM 0 HZ3 LYS A 74 4.493 -15.797 -3.256 1.00 1.41 H new ATOM 1042 N LEU A 75 3.028 -9.276 -6.419 1.00 71.20 N ATOM 1043 CA LEU A 75 2.055 -9.027 -7.476 1.00 25.30 C ATOM 1044 C LEU A 75 2.732 -8.446 -8.714 1.00 35.20 C ATOM 1045 O LEU A 75 2.562 -8.952 -9.823 1.00 31.50 O ATOM 1046 CB LEU A 75 0.963 -8.076 -6.978 1.00 35.10 C ATOM 1047 CG LEU A 75 -0.435 -8.689 -6.884 1.00 63.20 C ATOM 1048 CD1 LEU A 75 -0.643 -9.337 -5.524 1.00 74.40 C ATOM 1049 CD2 LEU A 75 -1.499 -7.632 -7.140 1.00 64.20 C ATOM 0 H LEU A 75 2.837 -8.784 -5.546 1.00 71.20 H new ATOM 0 HA LEU A 75 1.599 -9.979 -7.750 1.00 25.30 H new ATOM 0 HB2 LEU A 75 1.247 -7.704 -5.993 1.00 35.10 H new ATOM 0 HB3 LEU A 75 0.921 -7.214 -7.644 1.00 35.10 H new ATOM 0 HG LEU A 75 -0.525 -9.460 -7.649 1.00 63.20 H new ATOM 0 HD11 LEU A 75 -1.643 -9.768 -5.475 1.00 74.40 H new ATOM 0 HD12 LEU A 75 0.098 -10.123 -5.378 1.00 74.40 H new ATOM 0 HD13 LEU A 75 -0.533 -8.585 -4.742 1.00 74.40 H new ATOM 0 HD21 LEU A 75 -2.487 -8.086 -7.069 1.00 64.20 H new ATOM 0 HD22 LEU A 75 -1.410 -6.839 -6.398 1.00 64.20 H new ATOM 0 HD23 LEU A 75 -1.363 -7.213 -8.137 1.00 64.20 H new ATOM 1061 N LYS A 76 3.503 -7.382 -8.515 1.00 4.21 N ATOM 1062 CA LYS A 76 4.209 -6.733 -9.613 1.00 62.20 C ATOM 1063 C LYS A 76 5.301 -7.642 -10.160 1.00 60.10 C ATOM 1064 O LYS A 76 5.660 -7.552 -11.340 1.00 35.00 O ATOM 1065 CB LYS A 76 4.819 -5.411 -9.145 1.00 54.30 C ATOM 1066 CG LYS A 76 5.881 -5.577 -8.071 1.00 41.10 C ATOM 1067 CD LYS A 76 6.196 -4.255 -7.390 1.00 73.20 C ATOM 1068 CE LYS A 76 7.290 -3.497 -8.126 1.00 31.50 C ATOM 1069 NZ LYS A 76 7.083 -2.024 -8.063 1.00 23.00 N ATOM 0 H LYS A 76 3.655 -6.951 -7.603 1.00 4.21 H new ATOM 0 HA LYS A 76 3.491 -6.531 -10.408 1.00 62.20 H new ATOM 0 HB2 LYS A 76 5.258 -4.900 -10.002 1.00 54.30 H new ATOM 0 HB3 LYS A 76 4.025 -4.769 -8.763 1.00 54.30 H new ATOM 0 HG2 LYS A 76 5.539 -6.298 -7.328 1.00 41.10 H new ATOM 0 HG3 LYS A 76 6.789 -5.984 -8.516 1.00 41.10 H new ATOM 0 HD2 LYS A 76 5.295 -3.643 -7.345 1.00 73.20 H new ATOM 0 HD3 LYS A 76 6.508 -4.439 -6.362 1.00 73.20 H new ATOM 0 HE2 LYS A 76 8.259 -3.746 -7.693 1.00 31.50 H new ATOM 0 HE3 LYS A 76 7.315 -3.816 -9.168 1.00 31.50 H new ATOM 0 HZ1 LYS A 76 7.849 -1.543 -8.576 1.00 23.00 H new ATOM 0 HZ2 LYS A 76 6.170 -1.783 -8.499 1.00 23.00 H new ATOM 0 HZ3 LYS A 76 7.085 -1.715 -7.070 1.00 23.00 H new ATOM 1083 N GLU A 77 5.828 -8.517 -9.317 1.00 74.30 N ATOM 1084 CA GLU A 77 6.882 -9.442 -9.720 1.00 40.10 C ATOM 1085 C GLU A 77 6.466 -10.250 -10.940 1.00 21.40 C ATOM 1086 O GLU A 77 7.147 -10.240 -11.960 1.00 73.40 O ATOM 1087 CB GLU A 77 7.230 -10.380 -8.565 1.00 75.10 C ATOM 1088 CG GLU A 77 8.572 -11.070 -8.729 1.00 10.10 C ATOM 1089 CD GLU A 77 9.205 -11.440 -7.401 1.00 35.30 C ATOM 1090 OE1 GLU A 77 8.459 -11.820 -6.473 1.00 24.30 O ATOM 1091 OE2 GLU A 77 10.445 -11.350 -7.289 1.00 21.50 O ATOM 0 H GLU A 77 5.542 -8.608 -8.342 1.00 74.30 H new ATOM 0 HA GLU A 77 7.763 -8.856 -9.984 1.00 40.10 H new ATOM 0 HB2 GLU A 77 7.234 -9.812 -7.635 1.00 75.10 H new ATOM 0 HB3 GLU A 77 6.450 -11.136 -8.474 1.00 75.10 H new ATOM 0 HG2 GLU A 77 8.442 -11.971 -9.329 1.00 10.10 H new ATOM 0 HG3 GLU A 77 9.248 -10.415 -9.279 1.00 10.10 H new ATOM 1098 N TYR A 78 5.346 -10.960 -10.820 1.00 42.30 N ATOM 1099 CA TYR A 78 4.848 -11.780 -11.920 1.00 5.30 C ATOM 1100 C TYR A 78 4.393 -10.900 -13.090 1.00 64.10 C ATOM 1101 O TYR A 78 4.562 -11.270 -14.250 1.00 22.20 O ATOM 1102 CB TYR A 78 3.699 -12.670 -11.450 1.00 62.40 C ATOM 1103 CG TYR A 78 2.363 -11.970 -11.330 1.00 11.00 C ATOM 1104 CD1 TYR A 78 1.600 -11.700 -12.460 1.00 34.20 C ATOM 1105 CD2 TYR A 78 1.864 -11.580 -10.090 1.00 12.00 C ATOM 1106 CE1 TYR A 78 0.380 -11.060 -12.360 1.00 70.20 C ATOM 1107 CE2 TYR A 78 0.644 -10.940 -9.990 1.00 23.50 C ATOM 1108 CZ TYR A 78 -0.094 -10.680 -11.120 1.00 61.20 C ATOM 1109 OH TYR A 78 -1.309 -10.050 -11.020 1.00 43.00 O ATOM 0 H TYR A 78 4.770 -10.984 -9.978 1.00 42.30 H new ATOM 0 HA TYR A 78 5.663 -12.417 -12.263 1.00 5.30 H new ATOM 0 HB2 TYR A 78 3.596 -13.503 -12.145 1.00 62.40 H new ATOM 0 HB3 TYR A 78 3.960 -13.094 -10.480 1.00 62.40 H new ATOM 0 HD1 TYR A 78 1.967 -11.995 -13.432 1.00 34.20 H new ATOM 0 HD2 TYR A 78 2.437 -11.780 -9.197 1.00 12.00 H new ATOM 0 HE1 TYR A 78 -0.201 -10.858 -13.248 1.00 70.20 H new ATOM 0 HE2 TYR A 78 0.269 -10.643 -9.022 1.00 23.50 H new ATOM 0 HH TYR A 78 -1.894 -10.561 -10.422 1.00 43.00 H new ATOM 1119 N LEU A 79 3.815 -9.754 -12.770 1.00 44.10 N ATOM 1120 CA LEU A 79 3.335 -8.828 -13.790 1.00 24.10 C ATOM 1121 C LEU A 79 4.489 -8.317 -14.650 1.00 33.30 C ATOM 1122 O LEU A 79 4.363 -8.192 -15.860 1.00 33.30 O ATOM 1123 CB LEU A 79 2.608 -7.650 -13.140 1.00 2.30 C ATOM 1124 CG LEU A 79 1.223 -7.974 -12.580 1.00 61.40 C ATOM 1125 CD1 LEU A 79 0.662 -6.785 -11.810 1.00 3.43 C ATOM 1126 CD2 LEU A 79 0.279 -8.384 -13.700 1.00 22.10 C ATOM 0 H LEU A 79 3.665 -9.440 -11.811 1.00 44.10 H new ATOM 0 HA LEU A 79 2.638 -9.366 -14.432 1.00 24.10 H new ATOM 0 HB2 LEU A 79 3.228 -7.261 -12.332 1.00 2.30 H new ATOM 0 HB3 LEU A 79 2.508 -6.853 -13.877 1.00 2.30 H new ATOM 0 HG LEU A 79 1.319 -8.811 -11.888 1.00 61.40 H new ATOM 0 HD11 LEU A 79 -0.324 -7.037 -11.420 1.00 3.43 H new ATOM 0 HD12 LEU A 79 1.328 -6.540 -10.982 1.00 3.43 H new ATOM 0 HD13 LEU A 79 0.580 -5.926 -12.476 1.00 3.43 H new ATOM 0 HD21 LEU A 79 -0.702 -8.611 -13.284 1.00 22.10 H new ATOM 0 HD22 LEU A 79 0.189 -7.568 -14.417 1.00 22.10 H new ATOM 0 HD23 LEU A 79 0.673 -9.267 -14.203 1.00 22.10 H new ATOM 1138 N LYS A 80 5.613 -8.022 -14.000 1.00 35.10 N ATOM 1139 CA LYS A 80 6.790 -7.525 -14.700 1.00 23.30 C ATOM 1140 C LYS A 80 7.504 -8.655 -15.440 1.00 62.30 C ATOM 1141 O LYS A 80 8.104 -8.444 -16.490 1.00 72.50 O ATOM 1142 CB LYS A 80 7.749 -6.851 -13.720 1.00 73.50 C ATOM 1143 CG LYS A 80 7.529 -5.353 -13.590 1.00 34.10 C ATOM 1144 CD LYS A 80 8.448 -4.747 -12.540 1.00 21.30 C ATOM 1145 CE LYS A 80 8.617 -3.251 -12.740 1.00 35.50 C ATOM 1146 NZ LYS A 80 9.299 -2.604 -11.590 1.00 72.40 N ATOM 0 H LYS A 80 5.731 -8.119 -12.992 1.00 35.10 H new ATOM 0 HA LYS A 80 6.460 -6.789 -15.433 1.00 23.30 H new ATOM 0 HB2 LYS A 80 7.638 -7.313 -12.739 1.00 73.50 H new ATOM 0 HB3 LYS A 80 8.774 -7.033 -14.044 1.00 73.50 H new ATOM 0 HG2 LYS A 80 7.707 -4.873 -14.552 1.00 34.10 H new ATOM 0 HG3 LYS A 80 6.490 -5.158 -13.323 1.00 34.10 H new ATOM 0 HD2 LYS A 80 8.042 -4.938 -11.547 1.00 21.30 H new ATOM 0 HD3 LYS A 80 9.423 -5.233 -12.585 1.00 21.30 H new ATOM 0 HE2 LYS A 80 9.191 -3.070 -13.649 1.00 35.50 H new ATOM 0 HE3 LYS A 80 7.639 -2.793 -12.884 1.00 35.50 H new ATOM 0 HZ1 LYS A 80 9.392 -1.584 -11.771 1.00 72.40 H new ATOM 0 HZ2 LYS A 80 8.739 -2.753 -10.726 1.00 72.40 H new ATOM 0 HZ3 LYS A 80 10.243 -3.022 -11.467 1.00 72.40 H new ATOM 1160 N ASN A 81 7.436 -9.856 -14.870 1.00 42.10 N ATOM 1161 CA ASN A 81 8.076 -11.020 -15.470 1.00 42.50 C ATOM 1162 C ASN A 81 7.398 -11.390 -16.780 1.00 71.50 C ATOM 1163 O ASN A 81 8.059 -11.580 -17.810 1.00 12.10 O ATOM 1164 CB ASN A 81 8.037 -12.200 -14.500 1.00 73.30 C ATOM 1165 CG ASN A 81 9.184 -12.180 -13.510 1.00 74.30 C ATOM 1166 OD1 ASN A 81 8.975 -12.240 -12.300 1.00 41.50 O ATOM 1167 ND2 ASN A 81 10.406 -12.080 -14.020 1.00 24.40 N ATOM 0 H ASN A 81 6.945 -10.046 -13.996 1.00 42.10 H new ATOM 0 HA ASN A 81 9.116 -10.772 -15.681 1.00 42.50 H new ATOM 0 HB2 ASN A 81 7.092 -12.187 -13.956 1.00 73.30 H new ATOM 0 HB3 ASN A 81 8.066 -13.131 -15.066 1.00 73.30 H new ATOM 0 HD21 ASN A 81 11.216 -12.050 -13.401 1.00 24.40 H new ATOM 0 HD22 ASN A 81 10.535 -12.033 -15.031 1.00 24.40 H new