USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 TYR N :NH3+ 164:sc= 1.29 (180deg=1.21) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 0.0988 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 8 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.04) USER MOD Single : A 9 ASN : amide:sc= -2.97! K(o=-3!,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 24 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.073) USER MOD Single : A 28 SER OG : rot 180:sc= 0.171 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= 0.286 (180deg=-0.209) USER MOD Single : A 47 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.141 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 23.749 -3.165 5.934 1.00 11.77 N ATOM 2 CA TYR A 1 23.947 -3.616 7.343 1.00 13.37 C ATOM 3 C TYR A 1 22.705 -4.379 7.814 1.00 14.15 C ATOM 4 O TYR A 1 21.802 -4.636 7.044 1.00 13.64 O ATOM 5 CB TYR A 1 24.181 -2.419 8.264 1.00 13.50 C ATOM 6 CG TYR A 1 24.749 -1.255 7.447 1.00 12.50 C ATOM 7 CD1 TYR A 1 25.889 -1.425 6.687 1.00 11.89 C ATOM 8 CD2 TYR A 1 24.131 -0.020 7.459 1.00 12.30 C ATOM 9 CE1 TYR A 1 26.402 -0.377 5.951 1.00 11.02 C ATOM 10 CE2 TYR A 1 24.645 1.027 6.723 1.00 11.45 C ATOM 11 CZ TYR A 1 25.785 0.857 5.963 1.00 10.76 C ATOM 12 OH TYR A 1 26.298 1.905 5.225 1.00 9.96 O ATOM 0 H1 TYR A 1 24.449 -2.432 5.702 1.00 11.77 H new ATOM 0 H2 TYR A 1 23.868 -3.973 5.291 1.00 11.77 H new ATOM 0 H3 TYR A 1 22.791 -2.775 5.826 1.00 11.77 H new ATOM 0 HA TYR A 1 24.821 -4.266 7.381 1.00 13.37 H new ATOM 0 HB2 TYR A 1 23.246 -2.123 8.739 1.00 13.50 H new ATOM 0 HB3 TYR A 1 24.872 -2.689 9.062 1.00 13.50 H new ATOM 0 HD1 TYR A 1 26.383 -2.385 6.669 1.00 11.89 H new ATOM 0 HD2 TYR A 1 23.239 0.127 8.049 1.00 12.30 H new ATOM 0 HE1 TYR A 1 27.294 -0.524 5.360 1.00 11.02 H new ATOM 0 HE2 TYR A 1 24.152 1.988 6.741 1.00 11.45 H new ATOM 0 HH TYR A 1 25.737 2.699 5.350 1.00 9.96 H new ATOM 24 N ALA A 2 22.688 -4.723 9.073 1.00 15.45 N ATOM 25 CA ALA A 2 21.513 -5.470 9.612 1.00 16.30 C ATOM 26 C ALA A 2 21.452 -5.329 11.136 1.00 17.58 C ATOM 27 O ALA A 2 22.170 -5.997 11.854 1.00 18.61 O ATOM 28 CB ALA A 2 21.646 -6.946 9.241 1.00 16.98 C ATOM 0 H ALA A 2 23.427 -4.523 9.746 1.00 15.45 H new ATOM 0 HA ALA A 2 20.598 -5.060 9.183 1.00 16.30 H new ATOM 0 HB1 ALA A 2 20.791 -7.498 9.632 1.00 16.98 H new ATOM 0 HB2 ALA A 2 21.678 -7.047 8.156 1.00 16.98 H new ATOM 0 HB3 ALA A 2 22.564 -7.348 9.670 1.00 16.98 H new ATOM 34 N SER A 3 20.595 -4.460 11.599 1.00 17.57 N ATOM 35 CA SER A 3 20.474 -4.262 13.072 1.00 18.90 C ATOM 36 C SER A 3 19.746 -5.450 13.708 1.00 20.06 C ATOM 37 O SER A 3 19.462 -6.432 13.051 1.00 19.95 O ATOM 38 CB SER A 3 19.689 -2.979 13.342 1.00 18.72 C ATOM 39 OG SER A 3 19.847 -2.761 14.736 1.00 19.91 O ATOM 0 H SER A 3 19.978 -3.883 11.027 1.00 17.57 H new ATOM 0 HA SER A 3 21.471 -4.186 13.507 1.00 18.90 H new ATOM 0 HB2 SER A 3 20.080 -2.143 12.761 1.00 18.72 H new ATOM 0 HB3 SER A 3 18.639 -3.091 13.073 1.00 18.72 H new ATOM 0 HG SER A 3 20.766 -2.977 14.999 1.00 19.91 H new ATOM 45 N LEU A 4 19.459 -5.336 14.976 1.00 21.26 N ATOM 46 CA LEU A 4 18.749 -6.449 15.671 1.00 22.45 C ATOM 47 C LEU A 4 17.355 -6.647 15.068 1.00 21.83 C ATOM 48 O LEU A 4 17.081 -7.657 14.451 1.00 21.85 O ATOM 49 CB LEU A 4 18.620 -6.109 17.155 1.00 23.87 C ATOM 50 CG LEU A 4 18.458 -7.404 17.955 1.00 25.41 C ATOM 51 CD1 LEU A 4 19.837 -7.897 18.397 1.00 26.14 C ATOM 52 CD2 LEU A 4 17.600 -7.128 19.191 1.00 26.59 C ATOM 0 H LEU A 4 19.683 -4.528 15.557 1.00 21.26 H new ATOM 0 HA LEU A 4 19.318 -7.370 15.548 1.00 22.45 H new ATOM 0 HB2 LEU A 4 19.502 -5.566 17.494 1.00 23.87 H new ATOM 0 HB3 LEU A 4 17.762 -5.457 17.318 1.00 23.87 H new ATOM 0 HG LEU A 4 17.977 -8.162 17.337 1.00 25.41 H new ATOM 0 HD11 LEU A 4 19.728 -8.819 18.967 1.00 26.14 H new ATOM 0 HD12 LEU A 4 20.455 -8.084 17.519 1.00 26.14 H new ATOM 0 HD13 LEU A 4 20.312 -7.139 19.020 1.00 26.14 H new ATOM 0 HD21 LEU A 4 17.482 -8.047 19.764 1.00 26.59 H new ATOM 0 HD22 LEU A 4 18.086 -6.374 19.810 1.00 26.59 H new ATOM 0 HD23 LEU A 4 16.620 -6.765 18.880 1.00 26.59 H new ATOM 64 N GLU A 5 16.505 -5.675 15.257 1.00 21.39 N ATOM 65 CA GLU A 5 15.125 -5.789 14.700 1.00 20.81 C ATOM 66 C GLU A 5 15.052 -5.115 13.326 1.00 18.95 C ATOM 67 O GLU A 5 15.073 -3.905 13.224 1.00 18.05 O ATOM 68 CB GLU A 5 14.144 -5.109 15.653 1.00 21.51 C ATOM 69 CG GLU A 5 14.829 -3.906 16.304 1.00 21.61 C ATOM 70 CD GLU A 5 13.790 -3.085 17.069 1.00 22.27 C ATOM 71 OE1 GLU A 5 13.365 -3.576 18.102 1.00 23.39 O ATOM 72 OE2 GLU A 5 13.480 -2.012 16.578 1.00 21.69 O ATOM 0 H GLU A 5 16.702 -4.814 15.768 1.00 21.39 H new ATOM 0 HA GLU A 5 14.868 -6.843 14.590 1.00 20.81 H new ATOM 0 HB2 GLU A 5 13.255 -4.787 15.111 1.00 21.51 H new ATOM 0 HB3 GLU A 5 13.814 -5.812 16.417 1.00 21.51 H new ATOM 0 HG2 GLU A 5 15.614 -4.243 16.981 1.00 21.61 H new ATOM 0 HG3 GLU A 5 15.308 -3.290 15.543 1.00 21.61 H new ATOM 79 N GLU A 6 14.970 -5.916 12.298 1.00 18.50 N ATOM 80 CA GLU A 6 14.896 -5.338 10.925 1.00 16.76 C ATOM 81 C GLU A 6 13.451 -4.953 10.589 1.00 16.14 C ATOM 82 O GLU A 6 13.058 -4.947 9.439 1.00 15.16 O ATOM 83 CB GLU A 6 15.393 -6.374 9.918 1.00 16.77 C ATOM 84 CG GLU A 6 14.706 -7.713 10.196 1.00 17.95 C ATOM 85 CD GLU A 6 14.291 -8.353 8.870 1.00 17.82 C ATOM 86 OE1 GLU A 6 13.585 -7.677 8.140 1.00 17.31 O ATOM 87 OE2 GLU A 6 14.704 -9.482 8.662 1.00 18.34 O ATOM 0 H GLU A 6 14.951 -6.935 12.347 1.00 18.50 H new ATOM 0 HA GLU A 6 15.519 -4.445 10.879 1.00 16.76 H new ATOM 0 HB2 GLU A 6 15.177 -6.044 8.902 1.00 16.77 H new ATOM 0 HB3 GLU A 6 16.475 -6.484 9.994 1.00 16.77 H new ATOM 0 HG2 GLU A 6 15.381 -8.376 10.737 1.00 17.95 H new ATOM 0 HG3 GLU A 6 13.832 -7.562 10.829 1.00 17.95 H new ATOM 94 N GLN A 7 12.690 -4.638 11.602 1.00 16.80 N ATOM 95 CA GLN A 7 11.270 -4.251 11.360 1.00 16.27 C ATOM 96 C GLN A 7 11.146 -2.726 11.276 1.00 14.80 C ATOM 97 O GLN A 7 10.077 -2.199 11.042 1.00 14.49 O ATOM 98 CB GLN A 7 10.407 -4.770 12.509 1.00 17.82 C ATOM 99 CG GLN A 7 9.420 -5.806 11.967 1.00 18.39 C ATOM 100 CD GLN A 7 8.645 -6.425 13.131 1.00 19.91 C ATOM 101 OE1 GLN A 7 8.922 -6.163 14.285 1.00 20.47 O ATOM 102 NE2 GLN A 7 7.667 -7.251 12.874 1.00 20.67 N ATOM 0 H GLN A 7 12.986 -4.632 12.578 1.00 16.80 H new ATOM 0 HA GLN A 7 10.934 -4.685 10.418 1.00 16.27 H new ATOM 0 HB2 GLN A 7 11.036 -5.217 13.279 1.00 17.82 H new ATOM 0 HB3 GLN A 7 9.868 -3.946 12.976 1.00 17.82 H new ATOM 0 HG2 GLN A 7 8.731 -5.336 11.266 1.00 18.39 H new ATOM 0 HG3 GLN A 7 9.954 -6.581 11.418 1.00 18.39 H new ATOM 0 HE21 GLN A 7 7.429 -7.475 11.908 1.00 20.67 H new ATOM 0 HE22 GLN A 7 7.141 -7.672 13.640 1.00 20.67 H new ATOM 111 N ASN A 8 12.245 -2.050 11.470 1.00 14.08 N ATOM 112 CA ASN A 8 12.211 -0.560 11.405 1.00 12.84 C ATOM 113 C ASN A 8 12.554 -0.086 9.988 1.00 11.06 C ATOM 114 O ASN A 8 13.370 0.797 9.808 1.00 10.56 O ATOM 115 CB ASN A 8 13.228 0.008 12.392 1.00 13.51 C ATOM 116 CG ASN A 8 12.895 1.474 12.676 1.00 13.20 C ATOM 117 OD1 ASN A 8 13.621 2.371 12.297 1.00 12.53 O ATOM 118 ND2 ASN A 8 11.807 1.760 13.338 1.00 13.82 N ATOM 0 H ASN A 8 13.158 -2.459 11.669 1.00 14.08 H new ATOM 0 HA ASN A 8 11.211 -0.212 11.662 1.00 12.84 H new ATOM 0 HB2 ASN A 8 13.212 -0.566 13.318 1.00 13.51 H new ATOM 0 HB3 ASN A 8 14.235 -0.075 11.982 1.00 13.51 H new ATOM 0 HD21 ASN A 8 11.570 2.733 13.534 1.00 13.82 H new ATOM 0 HD22 ASN A 8 11.193 1.011 13.659 1.00 13.82 H new ATOM 125 N ASN A 9 11.924 -0.685 9.015 1.00 10.37 N ATOM 126 CA ASN A 9 12.201 -0.283 7.604 1.00 8.81 C ATOM 127 C ASN A 9 10.914 -0.340 6.775 1.00 8.03 C ATOM 128 O ASN A 9 10.942 -0.189 5.569 1.00 6.96 O ATOM 129 CB ASN A 9 13.234 -1.236 7.007 1.00 9.24 C ATOM 130 CG ASN A 9 14.282 -1.577 8.069 1.00 10.47 C ATOM 131 OD1 ASN A 9 14.439 -2.717 8.459 1.00 11.59 O ATOM 132 ND2 ASN A 9 15.018 -0.619 8.561 1.00 10.45 N ATOM 0 H ASN A 9 11.236 -1.429 9.132 1.00 10.37 H new ATOM 0 HA ASN A 9 12.584 0.737 7.590 1.00 8.81 H new ATOM 0 HB2 ASN A 9 12.746 -2.145 6.656 1.00 9.24 H new ATOM 0 HB3 ASN A 9 13.712 -0.776 6.142 1.00 9.24 H new ATOM 0 HD21 ASN A 9 15.721 -0.829 9.270 1.00 10.45 H new ATOM 0 HD22 ASN A 9 14.890 0.340 8.237 1.00 10.45 H new ATOM 139 N ASP A 10 9.812 -0.556 7.440 1.00 8.67 N ATOM 140 CA ASP A 10 8.514 -0.624 6.705 1.00 8.05 C ATOM 141 C ASP A 10 8.129 0.766 6.186 1.00 6.69 C ATOM 142 O ASP A 10 8.193 1.740 6.909 1.00 6.61 O ATOM 143 CB ASP A 10 7.430 -1.133 7.653 1.00 9.24 C ATOM 144 CG ASP A 10 7.672 -0.567 9.052 1.00 10.02 C ATOM 145 OD1 ASP A 10 8.352 0.444 9.116 1.00 9.57 O ATOM 146 OD2 ASP A 10 7.165 -1.177 9.979 1.00 11.13 O ATOM 0 H ASP A 10 9.752 -0.687 8.450 1.00 8.67 H new ATOM 0 HA ASP A 10 8.614 -1.302 5.857 1.00 8.05 H new ATOM 0 HB2 ASP A 10 6.446 -0.833 7.293 1.00 9.24 H new ATOM 0 HB3 ASP A 10 7.440 -2.223 7.683 1.00 9.24 H new ATOM 151 N ALA A 11 7.737 0.825 4.941 1.00 5.80 N ATOM 152 CA ALA A 11 7.346 2.144 4.357 1.00 4.54 C ATOM 153 C ALA A 11 6.161 1.970 3.399 1.00 3.64 C ATOM 154 O ALA A 11 5.084 1.582 3.805 1.00 3.53 O ATOM 155 CB ALA A 11 8.535 2.726 3.596 1.00 4.41 C ATOM 0 H ALA A 11 7.670 0.028 4.308 1.00 5.80 H new ATOM 0 HA ALA A 11 7.052 2.819 5.161 1.00 4.54 H new ATOM 0 HB1 ALA A 11 8.257 3.689 3.167 1.00 4.41 H new ATOM 0 HB2 ALA A 11 9.373 2.862 4.279 1.00 4.41 H new ATOM 0 HB3 ALA A 11 8.825 2.043 2.797 1.00 4.41 H new ATOM 161 N LEU A 12 6.389 2.260 2.148 1.00 3.33 N ATOM 162 CA LEU A 12 5.287 2.120 1.150 1.00 2.48 C ATOM 163 C LEU A 12 5.207 0.675 0.649 1.00 2.63 C ATOM 164 O LEU A 12 5.703 -0.234 1.283 1.00 3.81 O ATOM 165 CB LEU A 12 5.556 3.055 -0.029 1.00 2.72 C ATOM 166 CG LEU A 12 5.588 4.501 0.472 1.00 3.20 C ATOM 167 CD1 LEU A 12 6.627 5.288 -0.328 1.00 4.54 C ATOM 168 CD2 LEU A 12 4.210 5.134 0.270 1.00 2.71 C ATOM 0 H LEU A 12 7.281 2.585 1.774 1.00 3.33 H new ATOM 0 HA LEU A 12 4.340 2.382 1.623 1.00 2.48 H new ATOM 0 HB2 LEU A 12 6.505 2.800 -0.501 1.00 2.72 H new ATOM 0 HB3 LEU A 12 4.781 2.937 -0.786 1.00 2.72 H new ATOM 0 HG LEU A 12 5.849 4.519 1.530 1.00 3.20 H new ATOM 0 HD11 LEU A 12 6.654 6.319 0.025 1.00 4.54 H new ATOM 0 HD12 LEU A 12 7.609 4.834 -0.195 1.00 4.54 H new ATOM 0 HD13 LEU A 12 6.360 5.273 -1.385 1.00 4.54 H new ATOM 0 HD21 LEU A 12 4.227 6.164 0.625 1.00 2.71 H new ATOM 0 HD22 LEU A 12 3.955 5.120 -0.790 1.00 2.71 H new ATOM 0 HD23 LEU A 12 3.465 4.569 0.830 1.00 2.71 H new ATOM 180 N SER A 13 4.580 0.500 -0.482 1.00 1.65 N ATOM 181 CA SER A 13 4.449 -0.871 -1.049 1.00 1.92 C ATOM 182 C SER A 13 4.583 -0.816 -2.596 1.00 1.63 C ATOM 183 O SER A 13 3.640 -0.462 -3.272 1.00 1.25 O ATOM 184 CB SER A 13 3.065 -1.410 -0.690 1.00 2.09 C ATOM 185 OG SER A 13 3.005 -2.672 -1.338 1.00 2.07 O ATOM 0 H SER A 13 4.155 1.244 -1.035 1.00 1.65 H new ATOM 0 HA SER A 13 5.230 -1.515 -0.643 1.00 1.92 H new ATOM 0 HB2 SER A 13 2.944 -1.510 0.389 1.00 2.09 H new ATOM 0 HB3 SER A 13 2.275 -0.745 -1.039 1.00 2.09 H new ATOM 0 HG SER A 13 2.139 -3.092 -1.156 1.00 2.07 H new ATOM 191 N PRO A 14 5.756 -1.157 -3.138 1.00 1.91 N ATOM 192 CA PRO A 14 5.951 -1.120 -4.595 1.00 1.89 C ATOM 193 C PRO A 14 4.994 -2.094 -5.293 1.00 1.56 C ATOM 194 O PRO A 14 4.942 -2.155 -6.505 1.00 1.83 O ATOM 195 CB PRO A 14 7.410 -1.533 -4.822 1.00 2.35 C ATOM 196 CG PRO A 14 8.059 -1.736 -3.420 1.00 2.56 C ATOM 197 CD PRO A 14 6.942 -1.585 -2.371 1.00 2.36 C ATOM 0 HA PRO A 14 5.744 -0.132 -5.007 1.00 1.89 H new ATOM 0 HB2 PRO A 14 7.463 -2.452 -5.406 1.00 2.35 H new ATOM 0 HB3 PRO A 14 7.943 -0.767 -5.385 1.00 2.35 H new ATOM 0 HG2 PRO A 14 8.521 -2.721 -3.350 1.00 2.56 H new ATOM 0 HG3 PRO A 14 8.846 -1.001 -3.251 1.00 2.56 H new ATOM 0 HD2 PRO A 14 6.758 -2.525 -1.851 1.00 2.36 H new ATOM 0 HD3 PRO A 14 7.209 -0.849 -1.613 1.00 2.36 H new ATOM 205 N ALA A 15 4.257 -2.833 -4.505 1.00 1.28 N ATOM 206 CA ALA A 15 3.290 -3.807 -5.094 1.00 0.91 C ATOM 207 C ALA A 15 1.869 -3.234 -5.025 1.00 0.59 C ATOM 208 O ALA A 15 0.934 -3.821 -5.531 1.00 0.39 O ATOM 209 CB ALA A 15 3.351 -5.112 -4.302 1.00 0.93 C ATOM 0 H ALA A 15 4.282 -2.805 -3.486 1.00 1.28 H new ATOM 0 HA ALA A 15 3.550 -3.994 -6.136 1.00 0.91 H new ATOM 0 HB1 ALA A 15 2.647 -5.828 -4.726 1.00 0.93 H new ATOM 0 HB2 ALA A 15 4.360 -5.521 -4.352 1.00 0.93 H new ATOM 0 HB3 ALA A 15 3.089 -4.919 -3.262 1.00 0.93 H new ATOM 215 N ILE A 16 1.743 -2.097 -4.396 1.00 0.64 N ATOM 216 CA ILE A 16 0.395 -1.465 -4.279 1.00 0.33 C ATOM 217 C ILE A 16 -0.311 -1.469 -5.640 1.00 0.40 C ATOM 218 O ILE A 16 -1.522 -1.409 -5.713 1.00 0.37 O ATOM 219 CB ILE A 16 0.559 -0.021 -3.792 1.00 0.19 C ATOM 220 CG1 ILE A 16 -0.761 0.453 -3.179 1.00 0.13 C ATOM 221 CG2 ILE A 16 0.916 0.877 -4.977 1.00 0.17 C ATOM 222 CD1 ILE A 16 -0.636 1.929 -2.796 1.00 0.24 C ATOM 0 H ILE A 16 2.508 -1.581 -3.961 1.00 0.64 H new ATOM 0 HA ILE A 16 -0.207 -2.031 -3.568 1.00 0.33 H new ATOM 0 HB ILE A 16 1.352 0.028 -3.046 1.00 0.19 H new ATOM 0 HG12 ILE A 16 -1.576 0.317 -3.890 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -1.003 -0.144 -2.300 1.00 0.13 H new ATOM 0 HG21 ILE A 16 1.033 1.905 -4.633 1.00 0.17 H new ATOM 0 HG22 ILE A 16 1.850 0.536 -5.424 1.00 0.17 H new ATOM 0 HG23 ILE A 16 0.120 0.832 -5.720 1.00 0.17 H new ATOM 0 HD11 ILE A 16 -1.574 2.272 -2.359 1.00 0.24 H new ATOM 0 HD12 ILE A 16 0.168 2.050 -2.070 1.00 0.24 H new ATOM 0 HD13 ILE A 16 -0.414 2.518 -3.686 1.00 0.24 H new ATOM 234 N ARG A 17 0.463 -1.538 -6.689 1.00 0.66 N ATOM 235 CA ARG A 17 -0.148 -1.547 -8.050 1.00 0.86 C ATOM 236 C ARG A 17 -0.646 -2.952 -8.401 1.00 0.92 C ATOM 237 O ARG A 17 -1.676 -3.110 -9.026 1.00 1.04 O ATOM 238 CB ARG A 17 0.901 -1.109 -9.071 1.00 1.09 C ATOM 239 CG ARG A 17 0.841 0.411 -9.233 1.00 0.78 C ATOM 240 CD ARG A 17 1.955 0.859 -10.183 1.00 1.56 C ATOM 241 NE ARG A 17 1.934 2.344 -10.289 1.00 1.35 N ATOM 242 CZ ARG A 17 1.931 2.903 -11.469 1.00 1.75 C ATOM 243 NH1 ARG A 17 2.588 2.329 -12.440 1.00 2.61 N ATOM 244 NH2 ARG A 17 1.272 4.017 -11.638 1.00 1.91 N ATOM 0 H ARG A 17 1.481 -1.588 -6.665 1.00 0.66 H new ATOM 0 HA ARG A 17 -0.995 -0.861 -8.066 1.00 0.86 H new ATOM 0 HB2 ARG A 17 1.895 -1.413 -8.742 1.00 1.09 H new ATOM 0 HB3 ARG A 17 0.719 -1.596 -10.029 1.00 1.09 H new ATOM 0 HG2 ARG A 17 -0.131 0.709 -9.626 1.00 0.78 H new ATOM 0 HG3 ARG A 17 0.955 0.897 -8.264 1.00 0.78 H new ATOM 0 HD2 ARG A 17 2.923 0.522 -9.813 1.00 1.56 H new ATOM 0 HD3 ARG A 17 1.815 0.409 -11.166 1.00 1.56 H new ATOM 0 HE ARG A 17 1.922 2.920 -9.447 1.00 1.35 H new ATOM 0 HH11 ARG A 17 3.092 1.459 -12.270 1.00 2.61 H new ATOM 0 HH12 ARG A 17 2.597 2.751 -13.369 1.00 2.61 H new ATOM 0 HH21 ARG A 17 0.771 4.437 -10.855 1.00 1.91 H new ATOM 0 HH22 ARG A 17 1.259 4.468 -12.553 1.00 1.91 H new ATOM 258 N ARG A 18 0.096 -3.944 -7.990 1.00 0.98 N ATOM 259 CA ARG A 18 -0.319 -5.346 -8.294 1.00 1.07 C ATOM 260 C ARG A 18 -1.206 -5.892 -7.170 1.00 0.89 C ATOM 261 O ARG A 18 -1.324 -7.088 -6.996 1.00 1.32 O ATOM 262 CB ARG A 18 0.927 -6.218 -8.429 1.00 1.25 C ATOM 263 CG ARG A 18 1.842 -5.623 -9.502 1.00 1.47 C ATOM 264 CD ARG A 18 3.111 -6.472 -9.605 1.00 2.47 C ATOM 265 NE ARG A 18 3.880 -6.349 -8.334 1.00 3.83 N ATOM 266 CZ ARG A 18 4.424 -7.413 -7.809 1.00 4.76 C ATOM 267 NH1 ARG A 18 3.728 -8.127 -6.966 1.00 5.53 N ATOM 268 NH2 ARG A 18 5.645 -7.727 -8.145 1.00 5.17 N ATOM 0 H ARG A 18 0.963 -3.848 -7.462 1.00 0.98 H new ATOM 0 HA ARG A 18 -0.885 -5.358 -9.226 1.00 1.07 H new ATOM 0 HB2 ARG A 18 1.452 -6.273 -7.476 1.00 1.25 H new ATOM 0 HB3 ARG A 18 0.646 -7.236 -8.697 1.00 1.25 H new ATOM 0 HG2 ARG A 18 1.328 -5.597 -10.463 1.00 1.47 H new ATOM 0 HG3 ARG A 18 2.098 -4.594 -9.250 1.00 1.47 H new ATOM 0 HD2 ARG A 18 2.853 -7.515 -9.790 1.00 2.47 H new ATOM 0 HD3 ARG A 18 3.719 -6.140 -10.447 1.00 2.47 H new ATOM 0 HE ARG A 18 3.980 -5.442 -7.879 1.00 3.83 H new ATOM 0 HH11 ARG A 18 2.776 -7.850 -6.728 1.00 5.53 H new ATOM 0 HH12 ARG A 18 4.137 -8.962 -6.546 1.00 5.53 H new ATOM 0 HH21 ARG A 18 6.157 -7.145 -8.807 1.00 5.17 H new ATOM 0 HH22 ARG A 18 6.087 -8.555 -7.745 1.00 5.17 H new ATOM 282 N LEU A 19 -1.813 -5.000 -6.432 1.00 0.34 N ATOM 283 CA LEU A 19 -2.698 -5.448 -5.315 1.00 0.26 C ATOM 284 C LEU A 19 -4.166 -5.408 -5.752 1.00 0.19 C ATOM 285 O LEU A 19 -4.890 -6.369 -5.592 1.00 0.39 O ATOM 286 CB LEU A 19 -2.499 -4.518 -4.118 1.00 0.29 C ATOM 287 CG LEU A 19 -3.085 -5.178 -2.868 1.00 0.45 C ATOM 288 CD1 LEU A 19 -1.973 -5.920 -2.123 1.00 0.63 C ATOM 289 CD2 LEU A 19 -3.668 -4.098 -1.955 1.00 0.55 C ATOM 0 H LEU A 19 -1.736 -3.990 -6.552 1.00 0.34 H new ATOM 0 HA LEU A 19 -2.440 -6.471 -5.041 1.00 0.26 H new ATOM 0 HB2 LEU A 19 -1.438 -4.314 -3.973 1.00 0.29 H new ATOM 0 HB3 LEU A 19 -2.986 -3.560 -4.301 1.00 0.29 H new ATOM 0 HG LEU A 19 -3.868 -5.880 -3.155 1.00 0.45 H new ATOM 0 HD11 LEU A 19 -2.385 -6.392 -1.231 1.00 0.63 H new ATOM 0 HD12 LEU A 19 -1.546 -6.683 -2.773 1.00 0.63 H new ATOM 0 HD13 LEU A 19 -1.195 -5.214 -1.833 1.00 0.63 H new ATOM 0 HD21 LEU A 19 -4.087 -4.563 -1.063 1.00 0.55 H new ATOM 0 HD22 LEU A 19 -2.881 -3.402 -1.666 1.00 0.55 H new ATOM 0 HD23 LEU A 19 -4.453 -3.558 -2.485 1.00 0.55 H new ATOM 301 N LEU A 20 -4.572 -4.292 -6.294 1.00 0.04 N ATOM 302 CA LEU A 20 -5.990 -4.171 -6.746 1.00 0.21 C ATOM 303 C LEU A 20 -6.262 -5.138 -7.905 1.00 0.35 C ATOM 304 O LEU A 20 -7.391 -5.514 -8.150 1.00 0.62 O ATOM 305 CB LEU A 20 -6.247 -2.738 -7.208 1.00 0.25 C ATOM 306 CG LEU A 20 -6.183 -1.804 -5.999 1.00 0.19 C ATOM 307 CD1 LEU A 20 -5.612 -0.453 -6.436 1.00 0.41 C ATOM 308 CD2 LEU A 20 -7.596 -1.598 -5.448 1.00 0.34 C ATOM 0 H LEU A 20 -3.992 -3.467 -6.443 1.00 0.04 H new ATOM 0 HA LEU A 20 -6.653 -4.420 -5.917 1.00 0.21 H new ATOM 0 HB2 LEU A 20 -5.505 -2.443 -7.950 1.00 0.25 H new ATOM 0 HB3 LEU A 20 -7.223 -2.667 -7.687 1.00 0.25 H new ATOM 0 HG LEU A 20 -5.547 -2.241 -5.229 1.00 0.19 H new ATOM 0 HD11 LEU A 20 -5.564 0.217 -5.577 1.00 0.41 H new ATOM 0 HD12 LEU A 20 -4.610 -0.595 -6.841 1.00 0.41 H new ATOM 0 HD13 LEU A 20 -6.254 -0.017 -7.201 1.00 0.41 H new ATOM 0 HD21 LEU A 20 -7.557 -0.933 -4.585 1.00 0.34 H new ATOM 0 HD22 LEU A 20 -8.226 -1.155 -6.219 1.00 0.34 H new ATOM 0 HD23 LEU A 20 -8.013 -2.559 -5.146 1.00 0.34 H new ATOM 320 N ALA A 21 -5.220 -5.517 -8.592 1.00 0.26 N ATOM 321 CA ALA A 21 -5.401 -6.457 -9.738 1.00 0.38 C ATOM 322 C ALA A 21 -5.285 -7.907 -9.257 1.00 0.31 C ATOM 323 O ALA A 21 -5.476 -8.834 -10.019 1.00 0.63 O ATOM 324 CB ALA A 21 -4.325 -6.180 -10.787 1.00 0.48 C ATOM 0 H ALA A 21 -4.260 -5.221 -8.414 1.00 0.26 H new ATOM 0 HA ALA A 21 -6.390 -6.308 -10.171 1.00 0.38 H new ATOM 0 HB1 ALA A 21 -4.451 -6.863 -11.627 1.00 0.48 H new ATOM 0 HB2 ALA A 21 -4.416 -5.152 -11.138 1.00 0.48 H new ATOM 0 HB3 ALA A 21 -3.340 -6.327 -10.345 1.00 0.48 H new ATOM 330 N GLU A 22 -4.975 -8.072 -8.000 1.00 0.18 N ATOM 331 CA GLU A 22 -4.842 -9.454 -7.454 1.00 0.33 C ATOM 332 C GLU A 22 -6.157 -9.895 -6.805 1.00 0.46 C ATOM 333 O GLU A 22 -6.595 -11.014 -6.987 1.00 0.66 O ATOM 334 CB GLU A 22 -3.726 -9.472 -6.409 1.00 0.43 C ATOM 335 CG GLU A 22 -3.076 -10.857 -6.392 1.00 0.37 C ATOM 336 CD GLU A 22 -4.144 -11.914 -6.100 1.00 2.43 C ATOM 337 OE1 GLU A 22 -4.674 -11.858 -5.002 1.00 3.37 O ATOM 338 OE2 GLU A 22 -4.368 -12.717 -6.990 1.00 3.35 O ATOM 0 H GLU A 22 -4.809 -7.319 -7.333 1.00 0.18 H new ATOM 0 HA GLU A 22 -4.603 -10.141 -8.266 1.00 0.33 H new ATOM 0 HB2 GLU A 22 -2.982 -8.710 -6.641 1.00 0.43 H new ATOM 0 HB3 GLU A 22 -4.129 -9.234 -5.425 1.00 0.43 H new ATOM 0 HG2 GLU A 22 -2.600 -11.060 -7.351 1.00 0.37 H new ATOM 0 HG3 GLU A 22 -2.294 -10.895 -5.634 1.00 0.37 H new ATOM 345 N HIS A 23 -6.757 -9.002 -6.060 1.00 0.37 N ATOM 346 CA HIS A 23 -8.046 -9.346 -5.386 1.00 0.50 C ATOM 347 C HIS A 23 -9.221 -8.701 -6.128 1.00 0.53 C ATOM 348 O HIS A 23 -10.368 -8.929 -5.797 1.00 0.66 O ATOM 349 CB HIS A 23 -8.008 -8.828 -3.949 1.00 0.48 C ATOM 350 CG HIS A 23 -6.586 -8.960 -3.401 1.00 0.46 C ATOM 351 ND1 HIS A 23 -5.952 -10.037 -3.303 1.00 0.42 N ATOM 352 CD2 HIS A 23 -5.729 -7.986 -2.922 1.00 0.51 C ATOM 353 CE1 HIS A 23 -4.793 -9.848 -2.815 1.00 0.42 C ATOM 354 NE2 HIS A 23 -4.563 -8.566 -2.541 1.00 0.47 N ATOM 0 H HIS A 23 -6.414 -8.057 -5.890 1.00 0.37 H new ATOM 0 HA HIS A 23 -8.177 -10.428 -5.392 1.00 0.50 H new ATOM 0 HB2 HIS A 23 -8.327 -7.786 -3.917 1.00 0.48 H new ATOM 0 HB3 HIS A 23 -8.703 -9.393 -3.328 1.00 0.48 H new ATOM 0 HD1 HIS A 23 -6.319 -10.948 -3.579 1.00 0.42 H new ATOM 0 HD2 HIS A 23 -5.952 -6.931 -2.861 1.00 0.51 H new ATOM 0 HE1 HIS A 23 -4.077 -10.638 -2.643 1.00 0.42 H new ATOM 362 N ASN A 24 -8.911 -7.910 -7.118 1.00 0.47 N ATOM 363 CA ASN A 24 -9.999 -7.242 -7.891 1.00 0.63 C ATOM 364 C ASN A 24 -10.987 -6.565 -6.935 1.00 0.58 C ATOM 365 O ASN A 24 -12.155 -6.899 -6.905 1.00 0.76 O ATOM 366 CB ASN A 24 -10.735 -8.290 -8.725 1.00 0.85 C ATOM 367 CG ASN A 24 -11.607 -7.586 -9.766 1.00 2.06 C ATOM 368 OD1 ASN A 24 -12.815 -7.522 -9.639 1.00 2.81 O ATOM 369 ND2 ASN A 24 -11.038 -7.047 -10.808 1.00 2.64 N ATOM 0 H ASN A 24 -7.961 -7.698 -7.424 1.00 0.47 H new ATOM 0 HA ASN A 24 -9.564 -6.485 -8.544 1.00 0.63 H new ATOM 0 HB2 ASN A 24 -10.019 -8.947 -9.218 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -11.352 -8.917 -8.081 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -11.606 -6.575 -11.512 1.00 2.64 H new ATOM 0 HD22 ASN A 24 -10.025 -7.098 -10.919 1.00 2.64 H new ATOM 376 N LEU A 25 -10.496 -5.625 -6.174 1.00 0.42 N ATOM 377 CA LEU A 25 -11.392 -4.916 -5.213 1.00 0.40 C ATOM 378 C LEU A 25 -12.004 -3.678 -5.876 1.00 0.44 C ATOM 379 O LEU A 25 -11.359 -3.003 -6.653 1.00 0.64 O ATOM 380 CB LEU A 25 -10.577 -4.492 -3.992 1.00 0.63 C ATOM 381 CG LEU A 25 -10.311 -5.718 -3.117 1.00 0.87 C ATOM 382 CD1 LEU A 25 -8.942 -5.572 -2.449 1.00 1.30 C ATOM 383 CD2 LEU A 25 -11.389 -5.810 -2.037 1.00 1.16 C ATOM 0 H LEU A 25 -9.523 -5.319 -6.174 1.00 0.42 H new ATOM 0 HA LEU A 25 -12.197 -5.585 -4.909 1.00 0.40 H new ATOM 0 HB2 LEU A 25 -9.635 -4.043 -4.306 1.00 0.63 H new ATOM 0 HB3 LEU A 25 -11.117 -3.735 -3.424 1.00 0.63 H new ATOM 0 HG LEU A 25 -10.328 -6.618 -3.731 1.00 0.87 H new ATOM 0 HD11 LEU A 25 -8.747 -6.443 -1.824 1.00 1.30 H new ATOM 0 HD12 LEU A 25 -8.170 -5.495 -3.215 1.00 1.30 H new ATOM 0 HD13 LEU A 25 -8.932 -4.673 -1.832 1.00 1.30 H new ATOM 0 HD21 LEU A 25 -11.203 -6.683 -1.411 1.00 1.16 H new ATOM 0 HD22 LEU A 25 -11.365 -4.910 -1.422 1.00 1.16 H new ATOM 0 HD23 LEU A 25 -12.368 -5.903 -2.507 1.00 1.16 H new ATOM 395 N ASP A 26 -13.240 -3.406 -5.553 1.00 0.57 N ATOM 396 CA ASP A 26 -13.909 -2.216 -6.154 1.00 0.82 C ATOM 397 C ASP A 26 -13.754 -1.000 -5.234 1.00 0.87 C ATOM 398 O ASP A 26 -14.564 -0.773 -4.357 1.00 1.02 O ATOM 399 CB ASP A 26 -15.394 -2.522 -6.346 1.00 1.03 C ATOM 400 CG ASP A 26 -15.867 -3.453 -5.228 1.00 2.68 C ATOM 401 OD1 ASP A 26 -15.551 -4.627 -5.331 1.00 3.18 O ATOM 402 OD2 ASP A 26 -16.518 -2.937 -4.334 1.00 3.73 O ATOM 0 H ASP A 26 -13.811 -3.950 -4.906 1.00 0.57 H new ATOM 0 HA ASP A 26 -13.447 -1.992 -7.115 1.00 0.82 H new ATOM 0 HB2 ASP A 26 -15.972 -1.598 -6.334 1.00 1.03 H new ATOM 0 HB3 ASP A 26 -15.558 -2.988 -7.317 1.00 1.03 H new ATOM 407 N ALA A 27 -12.713 -0.244 -5.454 1.00 0.77 N ATOM 408 CA ALA A 27 -12.487 0.960 -4.601 1.00 0.83 C ATOM 409 C ALA A 27 -13.786 1.760 -4.458 1.00 0.94 C ATOM 410 O ALA A 27 -13.950 2.518 -3.523 1.00 0.99 O ATOM 411 CB ALA A 27 -11.416 1.837 -5.248 1.00 0.96 C ATOM 0 H ALA A 27 -12.015 -0.405 -6.180 1.00 0.77 H new ATOM 0 HA ALA A 27 -12.160 0.642 -3.611 1.00 0.83 H new ATOM 0 HB1 ALA A 27 -11.246 2.719 -4.630 1.00 0.96 H new ATOM 0 HB2 ALA A 27 -10.488 1.272 -5.338 1.00 0.96 H new ATOM 0 HB3 ALA A 27 -11.749 2.147 -6.239 1.00 0.96 H new ATOM 417 N SER A 28 -14.681 1.574 -5.389 1.00 0.99 N ATOM 418 CA SER A 28 -15.973 2.317 -5.321 1.00 1.13 C ATOM 419 C SER A 28 -16.595 2.168 -3.929 1.00 1.02 C ATOM 420 O SER A 28 -17.202 3.088 -3.416 1.00 0.99 O ATOM 421 CB SER A 28 -16.931 1.751 -6.369 1.00 1.31 C ATOM 422 OG SER A 28 -16.087 1.044 -7.265 1.00 1.28 O ATOM 0 H SER A 28 -14.577 0.947 -6.186 1.00 0.99 H new ATOM 0 HA SER A 28 -15.790 3.374 -5.515 1.00 1.13 H new ATOM 0 HB2 SER A 28 -17.673 1.092 -5.917 1.00 1.31 H new ATOM 0 HB3 SER A 28 -17.478 2.544 -6.879 1.00 1.31 H new ATOM 0 HG SER A 28 -16.628 0.643 -7.977 1.00 1.28 H new ATOM 428 N ALA A 29 -16.430 1.013 -3.347 1.00 0.96 N ATOM 429 CA ALA A 29 -17.005 0.786 -1.988 1.00 0.88 C ATOM 430 C ALA A 29 -16.101 1.414 -0.922 1.00 0.73 C ATOM 431 O ALA A 29 -16.547 1.743 0.159 1.00 0.72 O ATOM 432 CB ALA A 29 -17.122 -0.716 -1.739 1.00 0.87 C ATOM 0 H ALA A 29 -15.927 0.221 -3.748 1.00 0.96 H new ATOM 0 HA ALA A 29 -17.990 1.249 -1.932 1.00 0.88 H new ATOM 0 HB1 ALA A 29 -17.541 -0.889 -0.748 1.00 0.87 H new ATOM 0 HB2 ALA A 29 -17.774 -1.160 -2.491 1.00 0.87 H new ATOM 0 HB3 ALA A 29 -16.134 -1.173 -1.800 1.00 0.87 H new ATOM 438 N ILE A 30 -14.847 1.565 -1.251 1.00 0.68 N ATOM 439 CA ILE A 30 -13.899 2.168 -0.269 1.00 0.66 C ATOM 440 C ILE A 30 -13.852 3.690 -0.452 1.00 0.77 C ATOM 441 O ILE A 30 -13.250 4.187 -1.383 1.00 0.33 O ATOM 442 CB ILE A 30 -12.497 1.583 -0.499 1.00 0.66 C ATOM 443 CG1 ILE A 30 -12.568 0.041 -0.465 1.00 0.61 C ATOM 444 CG2 ILE A 30 -11.533 2.096 0.588 1.00 0.79 C ATOM 445 CD1 ILE A 30 -13.218 -0.434 0.844 1.00 0.72 C ATOM 0 H ILE A 30 -14.440 1.300 -2.148 1.00 0.68 H new ATOM 0 HA ILE A 30 -14.235 1.941 0.743 1.00 0.66 H new ATOM 0 HB ILE A 30 -12.127 1.900 -1.474 1.00 0.66 H new ATOM 0 HG12 ILE A 30 -13.143 -0.322 -1.317 1.00 0.61 H new ATOM 0 HG13 ILE A 30 -11.566 -0.378 -0.554 1.00 0.61 H new ATOM 0 HG21 ILE A 30 -10.540 1.678 0.420 1.00 0.79 H new ATOM 0 HG22 ILE A 30 -11.481 3.184 0.544 1.00 0.79 H new ATOM 0 HG23 ILE A 30 -11.895 1.789 1.569 1.00 0.79 H new ATOM 0 HD11 ILE A 30 -13.262 -1.523 0.854 1.00 0.72 H new ATOM 0 HD12 ILE A 30 -12.626 -0.086 1.691 1.00 0.72 H new ATOM 0 HD13 ILE A 30 -14.228 -0.030 0.916 1.00 0.72 H new ATOM 457 N LYS A 31 -14.489 4.394 0.443 1.00 1.42 N ATOM 458 CA LYS A 31 -14.492 5.882 0.337 1.00 1.61 C ATOM 459 C LYS A 31 -13.171 6.452 0.862 1.00 1.68 C ATOM 460 O LYS A 31 -13.016 6.679 2.045 1.00 2.42 O ATOM 461 CB LYS A 31 -15.650 6.441 1.162 1.00 2.13 C ATOM 462 CG LYS A 31 -16.878 6.593 0.263 1.00 3.04 C ATOM 463 CD LYS A 31 -18.132 6.683 1.137 1.00 3.37 C ATOM 464 CE LYS A 31 -17.984 7.855 2.110 1.00 2.78 C ATOM 465 NZ LYS A 31 -19.318 8.425 2.448 1.00 3.63 N ATOM 0 H LYS A 31 -15.003 4.009 1.236 1.00 1.42 H new ATOM 0 HA LYS A 31 -14.609 6.166 -0.709 1.00 1.61 H new ATOM 0 HB2 LYS A 31 -15.874 5.775 1.995 1.00 2.13 H new ATOM 0 HB3 LYS A 31 -15.376 7.405 1.590 1.00 2.13 H new ATOM 0 HG2 LYS A 31 -16.784 7.487 -0.353 1.00 3.04 H new ATOM 0 HG3 LYS A 31 -16.954 5.744 -0.417 1.00 3.04 H new ATOM 0 HD2 LYS A 31 -19.015 6.822 0.513 1.00 3.37 H new ATOM 0 HD3 LYS A 31 -18.273 5.753 1.688 1.00 3.37 H new ATOM 0 HE2 LYS A 31 -17.485 7.520 3.019 1.00 2.78 H new ATOM 0 HE3 LYS A 31 -17.354 8.626 1.666 1.00 2.78 H new ATOM 0 HZ1 LYS A 31 -19.199 9.219 3.109 1.00 3.63 H new ATOM 0 HZ2 LYS A 31 -19.781 8.763 1.580 1.00 3.63 H new ATOM 0 HZ3 LYS A 31 -19.907 7.691 2.891 1.00 3.63 H new ATOM 479 N GLY A 32 -12.245 6.672 -0.032 1.00 1.15 N ATOM 480 CA GLY A 32 -10.930 7.225 0.399 1.00 1.17 C ATOM 481 C GLY A 32 -11.134 8.388 1.371 1.00 1.46 C ATOM 482 O GLY A 32 -11.776 9.368 1.046 1.00 1.75 O ATOM 0 H GLY A 32 -12.340 6.495 -1.032 1.00 1.15 H new ATOM 0 HA2 GLY A 32 -10.338 6.444 0.876 1.00 1.17 H new ATOM 0 HA3 GLY A 32 -10.368 7.564 -0.471 1.00 1.17 H new ATOM 486 N THR A 33 -10.584 8.257 2.546 1.00 1.42 N ATOM 487 CA THR A 33 -10.737 9.349 3.553 1.00 1.74 C ATOM 488 C THR A 33 -9.524 10.284 3.506 1.00 1.89 C ATOM 489 O THR A 33 -9.530 11.342 4.104 1.00 2.27 O ATOM 490 CB THR A 33 -10.850 8.731 4.949 1.00 1.60 C ATOM 491 OG1 THR A 33 -10.075 7.538 4.883 1.00 1.46 O ATOM 492 CG2 THR A 33 -12.275 8.269 5.243 1.00 1.77 C ATOM 0 H THR A 33 -10.040 7.450 2.853 1.00 1.42 H new ATOM 0 HA THR A 33 -11.635 9.924 3.326 1.00 1.74 H new ATOM 0 HB THR A 33 -10.540 9.455 5.702 1.00 1.60 H new ATOM 0 HG1 THR A 33 -10.099 7.084 5.751 1.00 1.46 H new ATOM 0 HG21 THR A 33 -12.318 7.836 6.242 1.00 1.77 H new ATOM 0 HG22 THR A 33 -12.952 9.121 5.188 1.00 1.77 H new ATOM 0 HG23 THR A 33 -12.573 7.520 4.509 1.00 1.77 H new ATOM 500 N GLY A 34 -8.510 9.875 2.795 1.00 1.66 N ATOM 501 CA GLY A 34 -7.292 10.727 2.698 1.00 1.84 C ATOM 502 C GLY A 34 -7.678 12.179 2.411 1.00 2.25 C ATOM 503 O GLY A 34 -8.820 12.474 2.116 1.00 2.46 O ATOM 0 H GLY A 34 -8.472 8.995 2.281 1.00 1.66 H new ATOM 0 HA2 GLY A 34 -6.727 10.671 3.628 1.00 1.84 H new ATOM 0 HA3 GLY A 34 -6.642 10.354 1.907 1.00 1.84 H new ATOM 507 N VAL A 35 -6.718 13.057 2.502 1.00 2.47 N ATOM 508 CA VAL A 35 -7.012 14.497 2.238 1.00 2.89 C ATOM 509 C VAL A 35 -7.445 14.689 0.781 1.00 2.60 C ATOM 510 O VAL A 35 -6.623 14.770 -0.109 1.00 2.15 O ATOM 511 CB VAL A 35 -5.755 15.322 2.509 1.00 3.14 C ATOM 512 CG1 VAL A 35 -6.037 16.790 2.183 1.00 3.54 C ATOM 513 CG2 VAL A 35 -5.378 15.196 3.986 1.00 3.65 C ATOM 0 H VAL A 35 -5.750 12.845 2.745 1.00 2.47 H new ATOM 0 HA VAL A 35 -7.820 14.825 2.892 1.00 2.89 H new ATOM 0 HB VAL A 35 -4.935 14.959 1.889 1.00 3.14 H new ATOM 0 HG11 VAL A 35 -5.143 17.383 2.375 1.00 3.54 H new ATOM 0 HG12 VAL A 35 -6.316 16.883 1.133 1.00 3.54 H new ATOM 0 HG13 VAL A 35 -6.853 17.151 2.808 1.00 3.54 H new ATOM 0 HG21 VAL A 35 -4.481 15.783 4.184 1.00 3.65 H new ATOM 0 HG22 VAL A 35 -6.197 15.565 4.603 1.00 3.65 H new ATOM 0 HG23 VAL A 35 -5.187 14.150 4.225 1.00 3.65 H new ATOM 523 N GLY A 36 -8.732 14.757 0.569 1.00 3.05 N ATOM 524 CA GLY A 36 -9.236 14.945 -0.820 1.00 2.88 C ATOM 525 C GLY A 36 -9.480 13.589 -1.487 1.00 2.26 C ATOM 526 O GLY A 36 -8.988 13.328 -2.567 1.00 1.68 O ATOM 0 H GLY A 36 -9.450 14.691 1.291 1.00 3.05 H new ATOM 0 HA2 GLY A 36 -10.161 15.521 -0.803 1.00 2.88 H new ATOM 0 HA3 GLY A 36 -8.514 15.519 -1.401 1.00 2.88 H new ATOM 530 N GLY A 37 -10.237 12.755 -0.829 1.00 2.73 N ATOM 531 CA GLY A 37 -10.524 11.414 -1.410 1.00 2.22 C ATOM 532 C GLY A 37 -9.228 10.741 -1.869 1.00 1.52 C ATOM 533 O GLY A 37 -9.146 10.230 -2.968 1.00 1.06 O ATOM 0 H GLY A 37 -10.666 12.942 0.078 1.00 2.73 H new ATOM 0 HA2 GLY A 37 -11.023 10.789 -0.669 1.00 2.22 H new ATOM 0 HA3 GLY A 37 -11.207 11.515 -2.253 1.00 2.22 H new ATOM 537 N ARG A 38 -8.241 10.756 -1.016 1.00 1.66 N ATOM 538 CA ARG A 38 -6.943 10.120 -1.385 1.00 1.33 C ATOM 539 C ARG A 38 -6.942 8.644 -0.974 1.00 1.05 C ATOM 540 O ARG A 38 -6.929 8.324 0.198 1.00 0.99 O ATOM 541 CB ARG A 38 -5.807 10.849 -0.670 1.00 2.05 C ATOM 542 CG ARG A 38 -4.851 11.435 -1.712 1.00 1.51 C ATOM 543 CD ARG A 38 -3.689 12.125 -0.996 1.00 2.26 C ATOM 544 NE ARG A 38 -2.719 12.621 -2.012 1.00 1.90 N ATOM 545 CZ ARG A 38 -2.307 13.858 -1.954 1.00 2.95 C ATOM 546 NH1 ARG A 38 -1.606 14.242 -0.923 1.00 3.91 N ATOM 547 NH2 ARG A 38 -2.610 14.670 -2.930 1.00 3.36 N ATOM 0 H ARG A 38 -8.275 11.177 -0.087 1.00 1.66 H new ATOM 0 HA ARG A 38 -6.805 10.186 -2.464 1.00 1.33 H new ATOM 0 HB2 ARG A 38 -6.208 11.643 -0.040 1.00 2.05 H new ATOM 0 HB3 ARG A 38 -5.273 10.161 -0.015 1.00 2.05 H new ATOM 0 HG2 ARG A 38 -4.475 10.646 -2.363 1.00 1.51 H new ATOM 0 HG3 ARG A 38 -5.378 12.148 -2.346 1.00 1.51 H new ATOM 0 HD2 ARG A 38 -4.058 12.954 -0.392 1.00 2.26 H new ATOM 0 HD3 ARG A 38 -3.199 11.428 -0.316 1.00 2.26 H new ATOM 0 HE ARG A 38 -2.380 12.000 -2.746 1.00 1.90 H new ATOM 0 HH11 ARG A 38 -1.388 13.579 -0.179 1.00 3.91 H new ATOM 0 HH12 ARG A 38 -1.276 15.205 -0.861 1.00 3.91 H new ATOM 0 HH21 ARG A 38 -3.160 14.334 -3.721 1.00 3.36 H new ATOM 0 HH22 ARG A 38 -2.297 15.640 -2.902 1.00 3.36 H new ATOM 561 N LEU A 39 -6.958 7.776 -1.948 1.00 0.94 N ATOM 562 CA LEU A 39 -6.960 6.319 -1.631 1.00 0.71 C ATOM 563 C LEU A 39 -5.544 5.852 -1.274 1.00 0.63 C ATOM 564 O LEU A 39 -4.702 5.701 -2.136 1.00 0.67 O ATOM 565 CB LEU A 39 -7.460 5.541 -2.847 1.00 0.69 C ATOM 566 CG LEU A 39 -7.932 4.157 -2.398 1.00 0.91 C ATOM 567 CD1 LEU A 39 -9.438 4.199 -2.136 1.00 1.56 C ATOM 568 CD2 LEU A 39 -7.642 3.143 -3.507 1.00 0.32 C ATOM 0 H LEU A 39 -6.970 8.009 -2.941 1.00 0.94 H new ATOM 0 HA LEU A 39 -7.616 6.140 -0.779 1.00 0.71 H new ATOM 0 HB2 LEU A 39 -8.277 6.079 -3.327 1.00 0.69 H new ATOM 0 HB3 LEU A 39 -6.664 5.445 -3.585 1.00 0.69 H new ATOM 0 HG LEU A 39 -7.408 3.867 -1.487 1.00 0.91 H new ATOM 0 HD11 LEU A 39 -9.779 3.215 -1.816 1.00 1.56 H new ATOM 0 HD12 LEU A 39 -9.651 4.929 -1.355 1.00 1.56 H new ATOM 0 HD13 LEU A 39 -9.959 4.484 -3.050 1.00 1.56 H new ATOM 0 HD21 LEU A 39 -7.976 2.154 -3.193 1.00 0.32 H new ATOM 0 HD22 LEU A 39 -8.172 3.434 -4.414 1.00 0.32 H new ATOM 0 HD23 LEU A 39 -6.571 3.117 -3.706 1.00 0.32 H new ATOM 580 N THR A 40 -5.315 5.634 -0.008 1.00 0.61 N ATOM 581 CA THR A 40 -3.962 5.176 0.423 1.00 0.59 C ATOM 582 C THR A 40 -3.937 3.649 0.543 1.00 0.51 C ATOM 583 O THR A 40 -4.826 2.972 0.065 1.00 0.49 O ATOM 584 CB THR A 40 -3.631 5.800 1.781 1.00 0.52 C ATOM 585 OG1 THR A 40 -4.545 5.195 2.690 1.00 0.38 O ATOM 586 CG2 THR A 40 -3.961 7.290 1.808 1.00 0.64 C ATOM 0 H THR A 40 -5.998 5.751 0.741 1.00 0.61 H new ATOM 0 HA THR A 40 -3.224 5.485 -0.317 1.00 0.59 H new ATOM 0 HB THR A 40 -2.574 5.659 2.008 1.00 0.52 H new ATOM 0 HG1 THR A 40 -4.391 5.547 3.591 1.00 0.38 H new ATOM 0 HG21 THR A 40 -3.713 7.700 2.787 1.00 0.64 H new ATOM 0 HG22 THR A 40 -3.381 7.805 1.042 1.00 0.64 H new ATOM 0 HG23 THR A 40 -5.024 7.431 1.614 1.00 0.64 H new ATOM 594 N ARG A 41 -2.918 3.140 1.179 1.00 0.50 N ATOM 595 CA ARG A 41 -2.820 1.660 1.340 1.00 0.51 C ATOM 596 C ARG A 41 -3.386 1.235 2.698 1.00 0.38 C ATOM 597 O ARG A 41 -3.874 0.133 2.855 1.00 0.40 O ATOM 598 CB ARG A 41 -1.353 1.245 1.246 1.00 0.67 C ATOM 599 CG ARG A 41 -1.239 -0.260 1.501 1.00 0.55 C ATOM 600 CD ARG A 41 0.155 -0.734 1.086 1.00 1.13 C ATOM 601 NE ARG A 41 0.563 -1.867 1.963 1.00 0.54 N ATOM 602 CZ ARG A 41 1.252 -1.625 3.044 1.00 0.89 C ATOM 603 NH1 ARG A 41 2.237 -0.771 2.986 1.00 1.98 N ATOM 604 NH2 ARG A 41 0.933 -2.244 4.147 1.00 1.22 N ATOM 0 H ARG A 41 -2.155 3.678 1.591 1.00 0.50 H new ATOM 0 HA ARG A 41 -3.396 1.174 0.553 1.00 0.51 H new ATOM 0 HB2 ARG A 41 -0.956 1.490 0.261 1.00 0.67 H new ATOM 0 HB3 ARG A 41 -0.759 1.796 1.976 1.00 0.67 H new ATOM 0 HG2 ARG A 41 -1.411 -0.477 2.555 1.00 0.55 H new ATOM 0 HG3 ARG A 41 -2.002 -0.796 0.936 1.00 0.55 H new ATOM 0 HD2 ARG A 41 0.151 -1.048 0.042 1.00 1.13 H new ATOM 0 HD3 ARG A 41 0.871 0.084 1.170 1.00 1.13 H new ATOM 0 HE ARG A 41 0.306 -2.824 1.720 1.00 0.54 H new ATOM 0 HH11 ARG A 41 2.457 -0.305 2.106 1.00 1.98 H new ATOM 0 HH12 ARG A 41 2.787 -0.569 3.821 1.00 1.98 H new ATOM 0 HH21 ARG A 41 0.156 -2.905 4.155 1.00 1.22 H new ATOM 0 HH22 ARG A 41 1.461 -2.067 5.002 1.00 1.22 H new ATOM 618 N GLU A 42 -3.309 2.121 3.654 1.00 0.31 N ATOM 619 CA GLU A 42 -3.837 1.786 5.010 1.00 0.30 C ATOM 620 C GLU A 42 -5.367 1.889 5.025 1.00 0.29 C ATOM 621 O GLU A 42 -5.964 2.081 6.066 1.00 0.56 O ATOM 622 CB GLU A 42 -3.250 2.761 6.028 1.00 0.42 C ATOM 623 CG GLU A 42 -3.240 2.100 7.408 1.00 1.02 C ATOM 624 CD GLU A 42 -2.697 3.091 8.440 1.00 1.21 C ATOM 625 OE1 GLU A 42 -1.695 3.709 8.120 1.00 1.24 O ATOM 626 OE2 GLU A 42 -3.315 3.173 9.488 1.00 2.22 O ATOM 0 H GLU A 42 -2.908 3.054 3.558 1.00 0.31 H new ATOM 0 HA GLU A 42 -3.552 0.765 5.264 1.00 0.30 H new ATOM 0 HB2 GLU A 42 -2.237 3.042 5.739 1.00 0.42 H new ATOM 0 HB3 GLU A 42 -3.840 3.677 6.054 1.00 0.42 H new ATOM 0 HG2 GLU A 42 -4.248 1.788 7.682 1.00 1.02 H new ATOM 0 HG3 GLU A 42 -2.622 1.202 7.389 1.00 1.02 H new ATOM 633 N ASP A 43 -5.961 1.760 3.866 1.00 0.19 N ATOM 634 CA ASP A 43 -7.454 1.844 3.781 1.00 0.20 C ATOM 635 C ASP A 43 -8.002 0.651 2.990 1.00 0.11 C ATOM 636 O ASP A 43 -9.037 0.106 3.320 1.00 0.12 O ATOM 637 CB ASP A 43 -7.842 3.143 3.077 1.00 0.42 C ATOM 638 CG ASP A 43 -8.012 4.251 4.118 1.00 0.81 C ATOM 639 OD1 ASP A 43 -9.129 4.383 4.590 1.00 1.57 O ATOM 640 OD2 ASP A 43 -7.017 4.905 4.380 1.00 0.98 O ATOM 0 H ASP A 43 -5.482 1.601 2.979 1.00 0.19 H new ATOM 0 HA ASP A 43 -7.875 1.827 4.786 1.00 0.20 H new ATOM 0 HB2 ASP A 43 -7.075 3.422 2.354 1.00 0.42 H new ATOM 0 HB3 ASP A 43 -8.769 3.006 2.521 1.00 0.42 H new ATOM 645 N VAL A 44 -7.294 0.272 1.963 1.00 0.29 N ATOM 646 CA VAL A 44 -7.757 -0.883 1.139 1.00 0.54 C ATOM 647 C VAL A 44 -7.194 -2.194 1.698 1.00 0.81 C ATOM 648 O VAL A 44 -7.906 -3.169 1.838 1.00 0.64 O ATOM 649 CB VAL A 44 -7.274 -0.695 -0.298 1.00 0.92 C ATOM 650 CG1 VAL A 44 -8.005 -1.681 -1.209 1.00 1.28 C ATOM 651 CG2 VAL A 44 -7.583 0.735 -0.752 1.00 1.00 C ATOM 0 H VAL A 44 -6.422 0.706 1.659 1.00 0.29 H new ATOM 0 HA VAL A 44 -8.846 -0.928 1.165 1.00 0.54 H new ATOM 0 HB VAL A 44 -6.200 -0.873 -0.350 1.00 0.92 H new ATOM 0 HG11 VAL A 44 -7.663 -1.550 -2.236 1.00 1.28 H new ATOM 0 HG12 VAL A 44 -7.796 -2.700 -0.884 1.00 1.28 H new ATOM 0 HG13 VAL A 44 -9.078 -1.497 -1.158 1.00 1.28 H new ATOM 0 HG21 VAL A 44 -7.240 0.873 -1.777 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -8.658 0.908 -0.703 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -7.071 1.442 -0.100 1.00 1.00 H new ATOM 661 N GLU A 45 -5.926 -2.188 2.006 1.00 1.36 N ATOM 662 CA GLU A 45 -5.297 -3.414 2.551 1.00 1.80 C ATOM 663 C GLU A 45 -5.985 -3.838 3.856 1.00 1.71 C ATOM 664 O GLU A 45 -5.909 -4.984 4.256 1.00 1.84 O ATOM 665 CB GLU A 45 -3.819 -3.120 2.809 1.00 2.45 C ATOM 666 CG GLU A 45 -3.669 -2.298 4.098 1.00 1.99 C ATOM 667 CD GLU A 45 -3.445 -3.237 5.292 1.00 1.04 C ATOM 668 OE1 GLU A 45 -3.788 -4.399 5.146 1.00 1.60 O ATOM 669 OE2 GLU A 45 -2.942 -2.736 6.283 1.00 0.79 O ATOM 0 H GLU A 45 -5.303 -1.387 1.903 1.00 1.36 H new ATOM 0 HA GLU A 45 -5.400 -4.230 1.836 1.00 1.80 H new ATOM 0 HB2 GLU A 45 -3.263 -4.053 2.895 1.00 2.45 H new ATOM 0 HB3 GLU A 45 -3.395 -2.573 1.967 1.00 2.45 H new ATOM 0 HG2 GLU A 45 -2.831 -1.608 4.004 1.00 1.99 H new ATOM 0 HG3 GLU A 45 -4.562 -1.694 4.261 1.00 1.99 H new ATOM 676 N LYS A 46 -6.642 -2.906 4.490 1.00 1.63 N ATOM 677 CA LYS A 46 -7.338 -3.241 5.767 1.00 1.75 C ATOM 678 C LYS A 46 -8.775 -3.696 5.487 1.00 1.30 C ATOM 679 O LYS A 46 -9.534 -3.962 6.398 1.00 1.49 O ATOM 680 CB LYS A 46 -7.363 -2.003 6.662 1.00 2.04 C ATOM 681 CG LYS A 46 -6.121 -2.005 7.555 1.00 3.14 C ATOM 682 CD LYS A 46 -6.100 -0.722 8.387 1.00 3.36 C ATOM 683 CE LYS A 46 -4.746 -0.599 9.089 1.00 4.84 C ATOM 684 NZ LYS A 46 -4.754 0.547 10.041 1.00 4.88 N ATOM 0 H LYS A 46 -6.728 -1.937 4.184 1.00 1.63 H new ATOM 0 HA LYS A 46 -6.803 -4.051 6.263 1.00 1.75 H new ATOM 0 HB2 LYS A 46 -7.387 -1.099 6.053 1.00 2.04 H new ATOM 0 HB3 LYS A 46 -8.265 -1.999 7.273 1.00 2.04 H new ATOM 0 HG2 LYS A 46 -6.130 -2.877 8.209 1.00 3.14 H new ATOM 0 HG3 LYS A 46 -5.220 -2.073 6.945 1.00 3.14 H new ATOM 0 HD2 LYS A 46 -6.271 0.143 7.747 1.00 3.36 H new ATOM 0 HD3 LYS A 46 -6.904 -0.738 9.123 1.00 3.36 H new ATOM 0 HE2 LYS A 46 -4.522 -1.522 9.624 1.00 4.84 H new ATOM 0 HE3 LYS A 46 -3.958 -0.460 8.349 1.00 4.84 H new ATOM 0 HZ1 LYS A 46 -4.019 1.230 9.768 1.00 4.88 H new ATOM 0 HZ2 LYS A 46 -5.684 1.012 10.017 1.00 4.88 H new ATOM 0 HZ3 LYS A 46 -4.565 0.200 11.003 1.00 4.88 H new ATOM 698 N HIS A 47 -9.115 -3.775 4.229 1.00 0.89 N ATOM 699 CA HIS A 47 -10.497 -4.209 3.867 1.00 0.52 C ATOM 700 C HIS A 47 -10.511 -5.701 3.521 1.00 0.21 C ATOM 701 O HIS A 47 -11.475 -6.394 3.781 1.00 0.44 O ATOM 702 CB HIS A 47 -10.972 -3.402 2.660 1.00 0.28 C ATOM 703 CG HIS A 47 -12.481 -3.582 2.492 1.00 0.61 C ATOM 704 ND1 HIS A 47 -13.355 -2.994 3.172 1.00 0.95 N ATOM 705 CD2 HIS A 47 -13.184 -4.382 1.610 1.00 0.84 C ATOM 706 CE1 HIS A 47 -14.526 -3.335 2.815 1.00 1.26 C ATOM 707 NE2 HIS A 47 -14.513 -4.220 1.821 1.00 1.25 N ATOM 0 H HIS A 47 -8.503 -3.560 3.442 1.00 0.89 H new ATOM 0 HA HIS A 47 -11.161 -4.039 4.715 1.00 0.52 H new ATOM 0 HB2 HIS A 47 -10.733 -2.347 2.797 1.00 0.28 H new ATOM 0 HB3 HIS A 47 -10.453 -3.732 1.760 1.00 0.28 H new ATOM 0 HD2 HIS A 47 -12.743 -5.033 0.870 1.00 0.84 H new ATOM 0 HE1 HIS A 47 -15.429 -2.951 3.267 1.00 1.26 H new ATOM 0 HE2 HIS A 47 -15.298 -4.661 1.343 1.00 1.25 H new ATOM 715 N LEU A 48 -9.438 -6.165 2.938 1.00 0.49 N ATOM 716 CA LEU A 48 -9.367 -7.609 2.567 1.00 0.63 C ATOM 717 C LEU A 48 -9.891 -8.480 3.715 1.00 0.78 C ATOM 718 O LEU A 48 -9.150 -8.842 4.608 1.00 0.28 O ATOM 719 CB LEU A 48 -7.915 -7.979 2.272 1.00 0.68 C ATOM 720 CG LEU A 48 -7.602 -7.658 0.809 1.00 0.79 C ATOM 721 CD1 LEU A 48 -6.111 -7.338 0.672 1.00 0.83 C ATOM 722 CD2 LEU A 48 -7.936 -8.876 -0.056 1.00 0.88 C ATOM 0 H LEU A 48 -8.613 -5.612 2.704 1.00 0.49 H new ATOM 0 HA LEU A 48 -9.983 -7.781 1.685 1.00 0.63 H new ATOM 0 HB2 LEU A 48 -7.245 -7.425 2.930 1.00 0.68 H new ATOM 0 HB3 LEU A 48 -7.750 -9.039 2.468 1.00 0.68 H new ATOM 0 HG LEU A 48 -8.194 -6.802 0.485 1.00 0.79 H new ATOM 0 HD11 LEU A 48 -5.882 -7.108 -0.369 1.00 0.83 H new ATOM 0 HD12 LEU A 48 -5.864 -6.479 1.296 1.00 0.83 H new ATOM 0 HD13 LEU A 48 -5.523 -8.199 0.991 1.00 0.83 H new ATOM 0 HD21 LEU A 48 -7.715 -8.653 -1.100 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -7.337 -9.727 0.268 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -8.994 -9.116 0.047 1.00 0.88 H new ATOM 734 N ALA A 49 -11.156 -8.795 3.665 1.00 1.99 N ATOM 735 CA ALA A 49 -11.745 -9.642 4.743 1.00 2.29 C ATOM 736 C ALA A 49 -11.803 -11.106 4.292 1.00 3.03 C ATOM 737 O ALA A 49 -10.839 -11.637 3.779 1.00 3.02 O ATOM 738 CB ALA A 49 -13.158 -9.148 5.051 1.00 3.42 C ATOM 0 H ALA A 49 -11.803 -8.506 2.932 1.00 1.99 H new ATOM 0 HA ALA A 49 -11.123 -9.572 5.636 1.00 2.29 H new ATOM 0 HB1 ALA A 49 -13.595 -9.763 5.838 1.00 3.42 H new ATOM 0 HB2 ALA A 49 -13.117 -8.110 5.382 1.00 3.42 H new ATOM 0 HB3 ALA A 49 -13.772 -9.218 4.153 1.00 3.42 H new ATOM 744 N LYS A 50 -12.933 -11.725 4.495 1.00 4.12 N ATOM 745 CA LYS A 50 -13.070 -13.152 4.083 1.00 5.06 C ATOM 746 C LYS A 50 -13.024 -13.266 2.556 1.00 6.16 C ATOM 747 O LYS A 50 -12.228 -14.003 2.009 1.00 6.49 O ATOM 748 CB LYS A 50 -14.402 -13.696 4.595 1.00 6.01 C ATOM 749 CG LYS A 50 -14.180 -15.089 5.189 1.00 6.32 C ATOM 750 CD LYS A 50 -15.536 -15.711 5.530 1.00 7.70 C ATOM 751 CE LYS A 50 -15.515 -16.196 6.981 1.00 7.60 C ATOM 752 NZ LYS A 50 -15.241 -15.060 7.906 1.00 6.64 N ATOM 0 H LYS A 50 -13.760 -11.310 4.924 1.00 4.12 H new ATOM 0 HA LYS A 50 -12.247 -13.729 4.505 1.00 5.06 H new ATOM 0 HB2 LYS A 50 -14.816 -13.027 5.350 1.00 6.01 H new ATOM 0 HB3 LYS A 50 -15.126 -13.745 3.781 1.00 6.01 H new ATOM 0 HG2 LYS A 50 -13.645 -15.720 4.479 1.00 6.32 H new ATOM 0 HG3 LYS A 50 -13.562 -15.022 6.084 1.00 6.32 H new ATOM 0 HD2 LYS A 50 -16.331 -14.979 5.390 1.00 7.70 H new ATOM 0 HD3 LYS A 50 -15.747 -16.543 4.859 1.00 7.70 H new ATOM 0 HE2 LYS A 50 -16.472 -16.654 7.232 1.00 7.60 H new ATOM 0 HE3 LYS A 50 -14.752 -16.965 7.103 1.00 7.60 H new ATOM 0 HZ1 LYS A 50 -15.772 -15.196 8.790 1.00 6.64 H new ATOM 0 HZ2 LYS A 50 -14.223 -15.021 8.116 1.00 6.64 H new ATOM 0 HZ3 LYS A 50 -15.536 -14.169 7.458 1.00 6.64 H new ATOM 766 N ALA A 51 -13.882 -12.533 1.901 1.00 7.08 N ATOM 767 CA ALA A 51 -13.902 -12.586 0.410 1.00 8.43 C ATOM 768 C ALA A 51 -12.524 -12.221 -0.152 1.00 8.60 C ATOM 769 O ALA A 51 -12.320 -12.510 -1.319 1.00 9.87 O ATOM 770 CB ALA A 51 -14.943 -11.597 -0.112 1.00 9.24 C ATOM 771 OXT ALA A 51 -11.753 -11.675 0.620 1.00 7.57 O ATOM 0 H ALA A 51 -14.564 -11.906 2.327 1.00 7.08 H new ATOM 0 HA ALA A 51 -14.156 -13.597 0.091 1.00 8.43 H new ATOM 0 HB1 ALA A 51 -14.963 -11.631 -1.201 1.00 9.24 H new ATOM 0 HB2 ALA A 51 -15.926 -11.864 0.277 1.00 9.24 H new ATOM 0 HB3 ALA A 51 -14.684 -10.590 0.215 1.00 9.24 H new TER 777 ALA A 51