USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot -153:sc= 0.438 USER MOD Set 1.2: A 108 SER OG : rot -93:sc= 0.16! USER MOD Set 2.1: A 63 SER OG : rot -107:sc= 0.389 USER MOD Set 2.2: A 64 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.0427 (180deg=-0.373) USER MOD Single : A 7 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.001) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.173 (180deg=-1.12) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0486 (180deg=-0.394) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0204 (180deg=-0.282) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.0182 (180deg=0.00941) USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -2.82! (180deg=-3.26!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -44:sc= 0.678 USER MOD Single : A 36 SER OG : rot -23:sc= 0.443 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0265 (180deg=-0.329) USER MOD Single : A 39 CYS SG : rot 9:sc= -0.252 USER MOD Single : A 40 SER OG : rot -94:sc= 0.24 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 156:sc= -2.74! USER MOD Single : A 66 SER OG : rot 49:sc= 0.0417 USER MOD Single : A 68 CYS SG : rot 60:sc= -1.63 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.12) USER MOD Single : A 76 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= -1.29 (180deg=-3.07!) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 145:sc= 0 (180deg=-0.286) USER MOD Single : A 107 CYS SG : rot 40:sc= 0.832 USER MOD Single : A 110 SER OG : rot 75:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.473 -38.687 38.007 1.00 0.00 N ATOM 2 CA GLY A 1 7.338 -39.324 37.284 1.00 0.00 C ATOM 3 C GLY A 1 6.432 -38.243 36.702 1.00 0.00 C ATOM 4 O GLY A 1 5.216 -38.276 36.885 1.00 0.00 O ATOM 0 H1 GLY A 1 9.090 -39.425 38.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.018 -38.098 37.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.105 -38.093 38.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.715 -39.965 36.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.772 -39.960 37.964 1.00 0.00 H new ATOM 7 N LYS A 2 7.034 -37.291 35.997 1.00 0.00 N ATOM 8 CA LYS A 2 6.274 -36.205 35.386 1.00 0.00 C ATOM 9 C LYS A 2 5.585 -36.682 34.114 1.00 0.00 C ATOM 10 O LYS A 2 6.069 -37.588 33.436 1.00 0.00 O ATOM 11 CB LYS A 2 7.191 -35.038 35.052 1.00 0.00 C ATOM 12 CG LYS A 2 7.629 -34.366 36.351 1.00 0.00 C ATOM 13 CD LYS A 2 8.634 -33.261 36.032 1.00 0.00 C ATOM 14 CE LYS A 2 7.918 -32.039 35.440 1.00 0.00 C ATOM 15 NZ LYS A 2 8.832 -30.859 35.484 1.00 0.00 N ATOM 0 H LYS A 2 8.040 -37.248 35.835 1.00 0.00 H new ATOM 0 HA LYS A 2 5.519 -35.879 36.101 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.061 -35.389 34.497 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.673 -34.322 34.413 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.765 -33.949 36.868 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.078 -35.100 37.020 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.168 -32.974 36.938 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.379 -33.631 35.327 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.618 -32.242 34.412 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.008 -31.829 36.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.348 -30.030 35.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.097 -30.662 36.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.688 -31.062 34.929 1.00 0.00 H new ATOM 29 N LYS A 3 4.453 -36.059 33.786 1.00 0.00 N ATOM 30 CA LYS A 3 3.705 -36.422 32.584 1.00 0.00 C ATOM 31 C LYS A 3 4.135 -35.553 31.406 1.00 0.00 C ATOM 32 O LYS A 3 3.676 -35.745 30.279 1.00 0.00 O ATOM 33 CB LYS A 3 2.206 -36.248 32.829 1.00 0.00 C ATOM 34 CG LYS A 3 1.741 -37.261 33.876 1.00 0.00 C ATOM 35 CD LYS A 3 0.241 -37.090 34.122 1.00 0.00 C ATOM 36 CE LYS A 3 -0.239 -38.154 35.113 1.00 0.00 C ATOM 37 NZ LYS A 3 0.410 -37.927 36.437 1.00 0.00 N ATOM 0 H LYS A 3 4.036 -35.305 34.332 1.00 0.00 H new ATOM 0 HA LYS A 3 3.914 -37.465 32.348 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.997 -35.234 33.170 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.655 -36.391 31.899 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.951 -38.275 33.535 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.291 -37.117 34.806 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.037 -36.094 34.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.305 -37.180 33.183 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.323 -38.109 35.215 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.005 -39.149 34.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.112 -38.445 37.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.392 -38.267 36.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.402 -36.911 36.658 1.00 0.00 H new ATOM 51 N VAL A 4 5.014 -34.594 31.677 1.00 0.00 N ATOM 52 CA VAL A 4 5.498 -33.693 30.635 1.00 0.00 C ATOM 53 C VAL A 4 4.328 -33.022 29.917 1.00 0.00 C ATOM 54 O VAL A 4 4.465 -32.547 28.791 1.00 0.00 O ATOM 55 CB VAL A 4 6.356 -34.473 29.628 1.00 0.00 C ATOM 56 CG1 VAL A 4 7.317 -33.517 28.910 1.00 0.00 C ATOM 57 CG2 VAL A 4 7.168 -35.537 30.376 1.00 0.00 C ATOM 0 H VAL A 4 5.404 -34.420 32.603 1.00 0.00 H new ATOM 0 HA VAL A 4 6.107 -32.918 31.101 1.00 0.00 H new ATOM 0 HB VAL A 4 5.706 -34.949 28.893 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.922 -34.077 28.197 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.745 -32.756 28.380 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.968 -33.038 29.641 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.779 -36.094 29.666 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.813 -35.053 31.109 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.489 -36.221 30.885 1.00 0.00 H new ATOM 67 N GLU A 5 3.181 -32.985 30.579 1.00 0.00 N ATOM 68 CA GLU A 5 1.999 -32.367 29.995 1.00 0.00 C ATOM 69 C GLU A 5 2.096 -30.853 30.075 1.00 0.00 C ATOM 70 O GLU A 5 1.102 -30.167 30.318 1.00 0.00 O ATOM 71 CB GLU A 5 0.747 -32.846 30.728 1.00 0.00 C ATOM 72 CG GLU A 5 0.843 -32.456 32.207 1.00 0.00 C ATOM 73 CD GLU A 5 -0.357 -33.003 32.971 1.00 0.00 C ATOM 74 OE1 GLU A 5 -1.431 -33.051 32.393 1.00 0.00 O ATOM 75 OE2 GLU A 5 -0.183 -33.367 34.123 1.00 0.00 O ATOM 0 H GLU A 5 3.043 -33.372 31.513 1.00 0.00 H new ATOM 0 HA GLU A 5 1.936 -32.658 28.946 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.142 -32.402 30.280 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.647 -33.927 30.631 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.766 -32.847 32.635 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.882 -31.371 32.303 1.00 0.00 H new ATOM 82 N PHE A 6 3.300 -30.333 29.870 1.00 0.00 N ATOM 83 CA PHE A 6 3.531 -28.892 29.920 1.00 0.00 C ATOM 84 C PHE A 6 3.783 -28.336 28.523 1.00 0.00 C ATOM 85 O PHE A 6 3.493 -28.993 27.522 1.00 0.00 O ATOM 86 CB PHE A 6 4.731 -28.604 30.821 1.00 0.00 C ATOM 87 CG PHE A 6 4.353 -28.845 32.261 1.00 0.00 C ATOM 88 CD1 PHE A 6 3.757 -27.821 33.011 1.00 0.00 C ATOM 89 CD2 PHE A 6 4.600 -30.090 32.846 1.00 0.00 C ATOM 90 CE1 PHE A 6 3.411 -28.048 34.348 1.00 0.00 C ATOM 91 CE2 PHE A 6 4.253 -30.315 34.182 1.00 0.00 C ATOM 92 CZ PHE A 6 3.659 -29.296 34.933 1.00 0.00 C ATOM 0 H PHE A 6 4.132 -30.886 29.667 1.00 0.00 H new ATOM 0 HA PHE A 6 2.643 -28.406 30.324 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.569 -29.243 30.543 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.059 -27.573 30.688 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.565 -26.859 32.558 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.059 -30.878 32.267 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.953 -27.261 34.928 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.444 -31.277 34.634 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.391 -29.471 35.965 1.00 0.00 H new ATOM 102 N ASN A 7 4.315 -27.116 28.462 1.00 0.00 N ATOM 103 CA ASN A 7 4.595 -26.472 27.186 1.00 0.00 C ATOM 104 C ASN A 7 3.306 -26.293 26.396 1.00 0.00 C ATOM 105 O ASN A 7 2.445 -27.173 26.384 1.00 0.00 O ATOM 106 CB ASN A 7 5.590 -27.310 26.377 1.00 0.00 C ATOM 107 CG ASN A 7 6.796 -27.657 27.244 1.00 0.00 C ATOM 108 OD1 ASN A 7 7.276 -28.791 27.216 1.00 0.00 O ATOM 109 ND2 ASN A 7 7.314 -26.745 28.022 1.00 0.00 N ATOM 0 H ASN A 7 4.559 -26.558 29.280 1.00 0.00 H new ATOM 0 HA ASN A 7 5.033 -25.492 27.378 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.109 -28.222 26.024 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.912 -26.758 25.494 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.118 -26.971 28.608 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.915 -25.807 28.044 1.00 0.00 H new ATOM 116 N ASP A 8 3.179 -25.148 25.732 1.00 0.00 N ATOM 117 CA ASP A 8 1.991 -24.857 24.934 1.00 0.00 C ATOM 118 C ASP A 8 2.234 -25.228 23.479 1.00 0.00 C ATOM 119 O ASP A 8 2.611 -24.384 22.669 1.00 0.00 O ATOM 120 CB ASP A 8 1.643 -23.371 25.030 1.00 0.00 C ATOM 121 CG ASP A 8 2.785 -22.521 24.481 1.00 0.00 C ATOM 122 OD1 ASP A 8 3.833 -23.081 24.203 1.00 0.00 O ATOM 123 OD2 ASP A 8 2.592 -21.326 24.340 1.00 0.00 O ATOM 0 H ASP A 8 3.881 -24.408 25.730 1.00 0.00 H new ATOM 0 HA ASP A 8 1.160 -25.446 25.321 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.729 -23.168 24.472 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.448 -23.103 26.068 1.00 0.00 H new ATOM 128 N LYS A 9 2.016 -26.499 23.146 1.00 0.00 N ATOM 129 CA LYS A 9 2.219 -26.965 21.775 1.00 0.00 C ATOM 130 C LYS A 9 1.037 -27.824 21.305 1.00 0.00 C ATOM 131 O LYS A 9 0.452 -28.562 22.098 1.00 0.00 O ATOM 132 CB LYS A 9 3.505 -27.781 21.683 1.00 0.00 C ATOM 133 CG LYS A 9 3.448 -28.940 22.676 1.00 0.00 C ATOM 134 CD LYS A 9 4.765 -29.713 22.622 1.00 0.00 C ATOM 135 CE LYS A 9 4.604 -31.043 23.359 1.00 0.00 C ATOM 136 NZ LYS A 9 3.568 -31.866 22.675 1.00 0.00 N ATOM 0 H LYS A 9 1.702 -27.218 23.798 1.00 0.00 H new ATOM 0 HA LYS A 9 2.294 -26.089 21.130 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.634 -28.163 20.670 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.366 -27.147 21.897 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.275 -28.563 23.684 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.615 -29.600 22.435 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.052 -29.891 21.586 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.563 -29.126 23.078 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.554 -31.577 23.379 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.317 -30.865 24.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.757 -32.874 22.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.629 -31.622 23.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.594 -31.677 21.653 1.00 0.00 H new ATOM 150 N PRO A 10 0.682 -27.751 20.040 1.00 0.00 N ATOM 151 CA PRO A 10 -0.444 -28.551 19.472 1.00 0.00 C ATOM 152 C PRO A 10 -0.120 -30.036 19.407 1.00 0.00 C ATOM 153 O PRO A 10 -0.833 -30.870 19.966 1.00 0.00 O ATOM 154 CB PRO A 10 -0.650 -27.953 18.071 1.00 0.00 C ATOM 155 CG PRO A 10 0.678 -27.371 17.701 1.00 0.00 C ATOM 156 CD PRO A 10 1.314 -26.903 19.011 1.00 0.00 C ATOM 0 HA PRO A 10 -1.340 -28.496 20.090 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.959 -28.717 17.357 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.428 -27.189 18.078 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.305 -28.113 17.206 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.560 -26.540 17.006 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.396 -27.032 18.997 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.122 -25.846 19.192 1.00 0.00 H new ATOM 164 N LYS A 11 0.961 -30.356 18.720 1.00 0.00 N ATOM 165 CA LYS A 11 1.382 -31.746 18.578 1.00 0.00 C ATOM 166 C LYS A 11 2.791 -31.825 17.983 1.00 0.00 C ATOM 167 O LYS A 11 3.541 -30.849 17.997 1.00 0.00 O ATOM 168 CB LYS A 11 0.386 -32.512 17.676 1.00 0.00 C ATOM 169 CG LYS A 11 0.128 -33.916 18.237 1.00 0.00 C ATOM 170 CD LYS A 11 -0.948 -34.609 17.405 1.00 0.00 C ATOM 171 CE LYS A 11 -1.280 -35.955 18.045 1.00 0.00 C ATOM 172 NZ LYS A 11 -0.088 -36.846 17.969 1.00 0.00 N ATOM 0 H LYS A 11 1.564 -29.679 18.252 1.00 0.00 H new ATOM 0 HA LYS A 11 1.396 -32.205 19.567 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.552 -31.962 17.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.784 -32.585 16.664 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.048 -34.500 18.220 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.189 -33.850 19.278 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.841 -33.987 17.351 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.599 -34.754 16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.576 -35.813 19.084 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.125 -36.415 17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.382 -37.833 18.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.357 -36.751 17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.594 -36.577 18.706 1.00 0.00 H new ATOM 186 N VAL A 12 3.138 -33.005 17.461 1.00 0.00 N ATOM 187 CA VAL A 12 4.455 -33.201 16.866 1.00 0.00 C ATOM 188 C VAL A 12 4.619 -32.314 15.641 1.00 0.00 C ATOM 189 O VAL A 12 5.591 -31.563 15.532 1.00 0.00 O ATOM 190 CB VAL A 12 4.623 -34.667 16.457 1.00 0.00 C ATOM 191 CG1 VAL A 12 5.975 -34.852 15.766 1.00 0.00 C ATOM 192 CG2 VAL A 12 4.558 -35.553 17.702 1.00 0.00 C ATOM 0 H VAL A 12 2.533 -33.826 17.440 1.00 0.00 H new ATOM 0 HA VAL A 12 5.214 -32.935 17.602 1.00 0.00 H new ATOM 0 HB VAL A 12 3.824 -34.948 15.770 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.095 -35.895 15.475 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.020 -34.220 14.879 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.775 -34.572 16.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.677 -36.597 17.412 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.356 -35.274 18.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.594 -35.421 18.193 1.00 0.00 H new ATOM 202 N ARG A 13 3.670 -32.408 14.709 1.00 0.00 N ATOM 203 CA ARG A 13 3.731 -31.611 13.489 1.00 0.00 C ATOM 204 C ARG A 13 4.165 -30.185 13.813 1.00 0.00 C ATOM 205 O ARG A 13 3.455 -29.448 14.497 1.00 0.00 O ATOM 206 CB ARG A 13 2.356 -31.589 12.809 1.00 0.00 C ATOM 207 CG ARG A 13 2.446 -30.843 11.471 1.00 0.00 C ATOM 208 CD ARG A 13 1.060 -30.779 10.825 1.00 0.00 C ATOM 209 NE ARG A 13 0.613 -32.119 10.465 1.00 0.00 N ATOM 210 CZ ARG A 13 1.024 -32.702 9.344 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.855 -32.079 8.554 1.00 0.00 N ATOM 212 NH2 ARG A 13 0.604 -33.898 9.038 1.00 0.00 N ATOM 0 H ARG A 13 2.859 -33.022 14.776 1.00 0.00 H new ATOM 0 HA ARG A 13 4.460 -32.060 12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.006 -32.608 12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.628 -31.103 13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.831 -29.836 11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.145 -31.351 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.349 -30.323 11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.093 -30.147 9.937 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.026 -32.618 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.188 -31.146 8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.172 -32.525 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.041 -34.387 9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.920 -34.345 8.177 1.00 0.00 H new ATOM 226 N LYS A 14 5.340 -29.813 13.324 1.00 0.00 N ATOM 227 CA LYS A 14 5.862 -28.482 13.578 1.00 0.00 C ATOM 228 C LYS A 14 4.820 -27.439 13.229 1.00 0.00 C ATOM 229 O LYS A 14 3.742 -27.763 12.728 1.00 0.00 O ATOM 230 CB LYS A 14 7.127 -28.242 12.754 1.00 0.00 C ATOM 231 CG LYS A 14 8.244 -29.162 13.251 1.00 0.00 C ATOM 232 CD LYS A 14 9.486 -28.970 12.378 1.00 0.00 C ATOM 233 CE LYS A 14 10.579 -29.941 12.825 1.00 0.00 C ATOM 234 NZ LYS A 14 11.053 -29.565 14.188 1.00 0.00 N ATOM 0 H LYS A 14 5.942 -30.408 12.756 1.00 0.00 H new ATOM 0 HA LYS A 14 6.108 -28.402 14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.928 -28.432 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.436 -27.200 12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.479 -28.938 14.291 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.917 -30.201 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.238 -29.143 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.843 -27.943 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.194 -30.961 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.410 -29.918 12.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.960 -30.036 14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.180 -28.534 14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.350 -29.862 14.894 1.00 0.00 H new ATOM 248 N ILE A 15 5.142 -26.190 13.514 1.00 0.00 N ATOM 249 CA ILE A 15 4.221 -25.096 13.252 1.00 0.00 C ATOM 250 C ILE A 15 3.756 -25.122 11.792 1.00 0.00 C ATOM 251 O ILE A 15 4.371 -25.771 10.949 1.00 0.00 O ATOM 252 CB ILE A 15 4.890 -23.729 13.583 1.00 0.00 C ATOM 253 CG1 ILE A 15 6.426 -23.892 13.658 1.00 0.00 C ATOM 254 CG2 ILE A 15 4.359 -23.179 14.923 1.00 0.00 C ATOM 255 CD1 ILE A 15 6.850 -24.428 15.037 1.00 0.00 C ATOM 0 H ILE A 15 6.031 -25.907 13.926 1.00 0.00 H new ATOM 0 HA ILE A 15 3.349 -25.220 13.895 1.00 0.00 H new ATOM 0 HB ILE A 15 4.643 -23.024 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.763 -24.575 12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.908 -22.932 13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.837 -22.223 15.139 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.280 -23.038 14.857 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.584 -23.886 15.721 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.934 -24.535 15.068 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.532 -23.731 15.812 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.384 -25.398 15.209 1.00 0.00 H new ATOM 267 N PRO A 16 2.694 -24.410 11.478 1.00 0.00 N ATOM 268 CA PRO A 16 2.164 -24.341 10.083 1.00 0.00 C ATOM 269 C PRO A 16 3.223 -23.860 9.087 1.00 0.00 C ATOM 270 O PRO A 16 4.095 -23.060 9.426 1.00 0.00 O ATOM 271 CB PRO A 16 0.999 -23.332 10.177 1.00 0.00 C ATOM 272 CG PRO A 16 0.602 -23.315 11.616 1.00 0.00 C ATOM 273 CD PRO A 16 1.874 -23.604 12.411 1.00 0.00 C ATOM 0 HA PRO A 16 1.854 -25.320 9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.310 -22.342 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.165 -23.635 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.181 -22.348 11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.163 -24.065 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.383 -22.685 12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.657 -24.151 13.329 1.00 0.00 H new ATOM 281 N SER A 17 3.130 -24.354 7.859 1.00 0.00 N ATOM 282 CA SER A 17 4.073 -23.974 6.815 1.00 0.00 C ATOM 283 C SER A 17 3.902 -22.500 6.456 1.00 0.00 C ATOM 284 O SER A 17 4.489 -22.016 5.487 1.00 0.00 O ATOM 285 CB SER A 17 3.849 -24.831 5.568 1.00 0.00 C ATOM 286 OG SER A 17 2.593 -24.501 4.990 1.00 0.00 O ATOM 0 H SER A 17 2.414 -25.017 7.562 1.00 0.00 H new ATOM 0 HA SER A 17 5.084 -24.135 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.649 -24.661 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.875 -25.889 5.830 1.00 0.00 H new ATOM 0 HG SER A 17 2.448 -25.047 4.190 1.00 0.00 H new ATOM 292 N THR A 18 3.095 -21.791 7.243 1.00 0.00 N ATOM 293 CA THR A 18 2.858 -20.372 6.998 1.00 0.00 C ATOM 294 C THR A 18 3.920 -19.534 7.693 1.00 0.00 C ATOM 295 O THR A 18 4.594 -20.003 8.613 1.00 0.00 O ATOM 296 CB THR A 18 1.476 -19.975 7.520 1.00 0.00 C ATOM 297 OG1 THR A 18 1.429 -20.174 8.927 1.00 0.00 O ATOM 298 CG2 THR A 18 0.403 -20.832 6.846 1.00 0.00 C ATOM 0 H THR A 18 2.599 -22.172 8.048 1.00 0.00 H new ATOM 0 HA THR A 18 2.906 -20.192 5.924 1.00 0.00 H new ATOM 0 HB THR A 18 1.291 -18.925 7.293 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.545 -19.919 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.580 -20.546 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.439 -20.678 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.584 -21.883 7.069 1.00 0.00 H new ATOM 306 N ARG A 19 4.072 -18.293 7.244 1.00 0.00 N ATOM 307 CA ARG A 19 5.066 -17.386 7.820 1.00 0.00 C ATOM 308 C ARG A 19 4.552 -15.954 7.811 1.00 0.00 C ATOM 309 O ARG A 19 3.461 -15.678 7.316 1.00 0.00 O ATOM 310 CB ARG A 19 6.378 -17.464 7.035 1.00 0.00 C ATOM 311 CG ARG A 19 7.069 -18.801 7.317 1.00 0.00 C ATOM 312 CD ARG A 19 8.355 -18.894 6.500 1.00 0.00 C ATOM 313 NE ARG A 19 9.284 -17.843 6.904 1.00 0.00 N ATOM 314 CZ ARG A 19 10.093 -18.003 7.947 1.00 0.00 C ATOM 315 NH1 ARG A 19 10.063 -19.114 8.633 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.915 -17.049 8.287 1.00 0.00 N ATOM 0 H ARG A 19 3.523 -17.890 6.485 1.00 0.00 H new ATOM 0 HA ARG A 19 5.247 -17.692 8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.181 -17.363 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.032 -16.639 7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.294 -18.889 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.404 -19.626 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.816 -19.872 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.128 -18.801 5.438 1.00 0.00 H new ATOM 0 HE ARG A 19 9.313 -16.970 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.419 -19.859 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.684 -19.236 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.937 -16.180 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.536 -17.172 9.087 1.00 0.00 H new ATOM 330 N LYS A 20 5.346 -15.043 8.368 1.00 0.00 N ATOM 331 CA LYS A 20 4.967 -13.635 8.424 1.00 0.00 C ATOM 332 C LYS A 20 6.196 -12.747 8.281 1.00 0.00 C ATOM 333 O LYS A 20 7.222 -12.978 8.924 1.00 0.00 O ATOM 334 CB LYS A 20 4.276 -13.337 9.753 1.00 0.00 C ATOM 335 CG LYS A 20 3.751 -11.899 9.746 1.00 0.00 C ATOM 336 CD LYS A 20 3.049 -11.588 11.075 1.00 0.00 C ATOM 337 CE LYS A 20 1.651 -12.218 11.102 1.00 0.00 C ATOM 338 NZ LYS A 20 0.899 -11.697 12.279 1.00 0.00 N ATOM 0 H LYS A 20 6.252 -15.254 8.785 1.00 0.00 H new ATOM 0 HA LYS A 20 4.282 -13.427 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.454 -14.035 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.975 -13.476 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.575 -11.203 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.056 -11.761 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.643 -11.970 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.971 -10.509 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.116 -11.984 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.730 -13.304 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.098 -11.986 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.311 -12.082 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.958 -10.659 12.297 1.00 0.00 H new ATOM 352 N ILE A 21 6.085 -11.729 7.431 1.00 0.00 N ATOM 353 CA ILE A 21 7.184 -10.797 7.192 1.00 0.00 C ATOM 354 C ILE A 21 6.691 -9.358 7.272 1.00 0.00 C ATOM 355 O ILE A 21 5.539 -9.063 6.942 1.00 0.00 O ATOM 356 CB ILE A 21 7.801 -11.054 5.814 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.749 -10.828 4.717 1.00 0.00 C ATOM 358 CG2 ILE A 21 8.295 -12.499 5.748 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.395 -10.978 3.335 1.00 0.00 C ATOM 0 H ILE A 21 5.241 -11.528 6.894 1.00 0.00 H new ATOM 0 HA ILE A 21 7.941 -10.953 7.961 1.00 0.00 H new ATOM 0 HB ILE A 21 8.633 -10.367 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.936 -11.545 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.313 -9.834 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.736 -12.689 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.045 -12.663 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.457 -13.178 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.643 -10.816 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.193 -10.243 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.809 -11.981 3.234 1.00 0.00 H new ATOM 371 N LYS A 22 7.571 -8.461 7.706 1.00 0.00 N ATOM 372 CA LYS A 22 7.228 -7.042 7.818 1.00 0.00 C ATOM 373 C LYS A 22 8.047 -6.222 6.831 1.00 0.00 C ATOM 374 O LYS A 22 8.917 -5.448 7.228 1.00 0.00 O ATOM 375 CB LYS A 22 7.516 -6.564 9.236 1.00 0.00 C ATOM 376 CG LYS A 22 6.569 -7.265 10.209 1.00 0.00 C ATOM 377 CD LYS A 22 7.030 -7.018 11.647 1.00 0.00 C ATOM 378 CE LYS A 22 7.076 -5.516 11.929 1.00 0.00 C ATOM 379 NZ LYS A 22 5.859 -4.868 11.367 1.00 0.00 N ATOM 0 H LYS A 22 8.525 -8.688 7.986 1.00 0.00 H new ATOM 0 HA LYS A 22 6.170 -6.913 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.551 -6.778 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.388 -5.484 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.553 -6.894 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.547 -8.335 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.350 -7.507 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.016 -7.456 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.133 -5.338 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.971 -5.079 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.633 -4.016 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.033 -4.603 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.060 -5.532 11.412 1.00 0.00 H new ATOM 393 N ILE A 23 7.768 -6.400 5.539 1.00 0.00 N ATOM 394 CA ILE A 23 8.497 -5.671 4.499 1.00 0.00 C ATOM 395 C ILE A 23 7.730 -4.420 4.096 1.00 0.00 C ATOM 396 O ILE A 23 6.563 -4.490 3.714 1.00 0.00 O ATOM 397 CB ILE A 23 8.693 -6.565 3.272 1.00 0.00 C ATOM 398 CG1 ILE A 23 9.129 -7.961 3.730 1.00 0.00 C ATOM 399 CG2 ILE A 23 9.767 -5.964 2.362 1.00 0.00 C ATOM 400 CD1 ILE A 23 10.322 -7.858 4.686 1.00 0.00 C ATOM 0 H ILE A 23 7.051 -7.035 5.190 1.00 0.00 H new ATOM 0 HA ILE A 23 9.470 -5.382 4.896 1.00 0.00 H new ATOM 0 HB ILE A 23 7.756 -6.637 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.299 -8.464 4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.398 -8.567 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.904 -6.603 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.456 -4.971 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.707 -5.890 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.621 -8.857 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.156 -7.374 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.039 -7.270 5.559 1.00 0.00 H new ATOM 412 N THR A 24 8.396 -3.276 4.176 1.00 0.00 N ATOM 413 CA THR A 24 7.772 -2.012 3.811 1.00 0.00 C ATOM 414 C THR A 24 8.834 -0.950 3.556 1.00 0.00 C ATOM 415 O THR A 24 9.846 -0.891 4.253 1.00 0.00 O ATOM 416 CB THR A 24 6.840 -1.547 4.932 1.00 0.00 C ATOM 417 OG1 THR A 24 6.403 -0.224 4.662 1.00 0.00 O ATOM 418 CG2 THR A 24 7.590 -1.581 6.265 1.00 0.00 C ATOM 0 H THR A 24 9.364 -3.197 4.489 1.00 0.00 H new ATOM 0 HA THR A 24 7.194 -2.161 2.899 1.00 0.00 H new ATOM 0 HB THR A 24 5.976 -2.209 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.804 0.075 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.927 -1.250 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.924 -2.598 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.454 -0.919 6.213 1.00 0.00 H new ATOM 426 N PHE A 25 8.589 -0.100 2.559 1.00 0.00 N ATOM 427 CA PHE A 25 9.524 0.974 2.218 1.00 0.00 C ATOM 428 C PHE A 25 8.791 2.309 2.129 1.00 0.00 C ATOM 429 O PHE A 25 7.725 2.409 1.523 1.00 0.00 O ATOM 430 CB PHE A 25 10.213 0.673 0.879 1.00 0.00 C ATOM 431 CG PHE A 25 11.316 -0.343 1.086 1.00 0.00 C ATOM 432 CD1 PHE A 25 12.423 -0.008 1.878 1.00 0.00 C ATOM 433 CD2 PHE A 25 11.234 -1.612 0.494 1.00 0.00 C ATOM 434 CE1 PHE A 25 13.446 -0.941 2.078 1.00 0.00 C ATOM 435 CE2 PHE A 25 12.261 -2.543 0.697 1.00 0.00 C ATOM 436 CZ PHE A 25 13.367 -2.207 1.488 1.00 0.00 C ATOM 0 H PHE A 25 7.754 -0.133 1.974 1.00 0.00 H new ATOM 0 HA PHE A 25 10.278 1.035 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.485 0.292 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.625 1.590 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.486 0.969 2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.382 -1.871 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 25 14.298 -0.683 2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.200 -3.521 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.159 -2.925 1.642 1.00 0.00 H new ATOM 446 N ALA A 26 9.378 3.335 2.741 1.00 0.00 N ATOM 447 CA ALA A 26 8.791 4.672 2.738 1.00 0.00 C ATOM 448 C ALA A 26 9.856 5.714 2.422 1.00 0.00 C ATOM 449 O ALA A 26 11.006 5.591 2.845 1.00 0.00 O ATOM 450 CB ALA A 26 8.177 4.967 4.102 1.00 0.00 C ATOM 0 H ALA A 26 10.261 3.265 3.246 1.00 0.00 H new ATOM 0 HA ALA A 26 8.016 4.714 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.740 5.966 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.401 4.233 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.950 4.914 4.868 1.00 0.00 H new ATOM 456 N LEU A 27 9.463 6.740 1.675 1.00 0.00 N ATOM 457 CA LEU A 27 10.385 7.811 1.301 1.00 0.00 C ATOM 458 C LEU A 27 10.223 8.999 2.241 1.00 0.00 C ATOM 459 O LEU A 27 10.972 9.974 2.158 1.00 0.00 O ATOM 460 CB LEU A 27 10.104 8.259 -0.142 1.00 0.00 C ATOM 461 CG LEU A 27 8.573 8.352 -0.382 1.00 0.00 C ATOM 462 CD1 LEU A 27 8.269 9.490 -1.368 1.00 0.00 C ATOM 463 CD2 LEU A 27 8.045 7.031 -0.964 1.00 0.00 C ATOM 0 H LEU A 27 8.515 6.854 1.316 1.00 0.00 H new ATOM 0 HA LEU A 27 11.406 7.435 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.569 9.227 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.548 7.553 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 27 8.083 8.549 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.193 9.551 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.627 10.434 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.771 9.294 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.970 7.109 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.542 6.827 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.247 6.219 -0.266 1.00 0.00 H new ATOM 475 N ASP A 28 9.242 8.917 3.135 1.00 0.00 N ATOM 476 CA ASP A 28 8.992 9.995 4.087 1.00 0.00 C ATOM 477 C ASP A 28 8.332 9.452 5.350 1.00 0.00 C ATOM 478 O ASP A 28 7.813 8.336 5.360 1.00 0.00 O ATOM 479 CB ASP A 28 8.091 11.062 3.449 1.00 0.00 C ATOM 480 CG ASP A 28 8.213 12.377 4.213 1.00 0.00 C ATOM 481 OD1 ASP A 28 8.887 12.389 5.229 1.00 0.00 O ATOM 482 OD2 ASP A 28 7.634 13.356 3.767 1.00 0.00 O ATOM 0 H ASP A 28 8.611 8.121 3.220 1.00 0.00 H new ATOM 0 HA ASP A 28 9.947 10.445 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.373 11.211 2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.055 10.724 3.454 1.00 0.00 H new ATOM 487 N ALA A 29 8.355 10.251 6.410 1.00 0.00 N ATOM 488 CA ALA A 29 7.755 9.843 7.677 1.00 0.00 C ATOM 489 C ALA A 29 6.243 9.688 7.533 1.00 0.00 C ATOM 490 O ALA A 29 5.645 8.786 8.117 1.00 0.00 O ATOM 491 CB ALA A 29 8.063 10.879 8.757 1.00 0.00 C ATOM 0 H ALA A 29 8.779 11.179 6.420 1.00 0.00 H new ATOM 0 HA ALA A 29 8.180 8.881 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.612 10.568 9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.142 10.964 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.655 11.845 8.461 1.00 0.00 H new ATOM 497 N THR A 30 5.633 10.579 6.760 1.00 0.00 N ATOM 498 CA THR A 30 4.189 10.533 6.555 1.00 0.00 C ATOM 499 C THR A 30 3.782 9.218 5.897 1.00 0.00 C ATOM 500 O THR A 30 2.823 8.561 6.323 1.00 0.00 O ATOM 501 CB THR A 30 3.755 11.705 5.671 1.00 0.00 C ATOM 502 OG1 THR A 30 4.079 12.930 6.315 1.00 0.00 O ATOM 503 CG2 THR A 30 2.246 11.639 5.425 1.00 0.00 C ATOM 0 H THR A 30 6.110 11.335 6.269 1.00 0.00 H new ATOM 0 HA THR A 30 3.698 10.605 7.525 1.00 0.00 H new ATOM 0 HB THR A 30 4.276 11.647 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.803 13.680 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.943 12.476 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.999 10.702 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.719 11.693 6.378 1.00 0.00 H new ATOM 511 N PHE A 31 4.522 8.829 4.863 1.00 0.00 N ATOM 512 CA PHE A 31 4.240 7.589 4.154 1.00 0.00 C ATOM 513 C PHE A 31 4.486 6.385 5.065 1.00 0.00 C ATOM 514 O PHE A 31 3.869 5.334 4.907 1.00 0.00 O ATOM 515 CB PHE A 31 5.115 7.486 2.892 1.00 0.00 C ATOM 516 CG PHE A 31 4.440 8.205 1.738 1.00 0.00 C ATOM 517 CD1 PHE A 31 3.213 7.730 1.250 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.033 9.337 1.166 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.586 8.390 0.189 1.00 0.00 C ATOM 520 CE2 PHE A 31 4.403 9.993 0.104 1.00 0.00 C ATOM 521 CZ PHE A 31 3.179 9.522 -0.386 1.00 0.00 C ATOM 0 H PHE A 31 5.318 9.353 4.500 1.00 0.00 H new ATOM 0 HA PHE A 31 3.192 7.592 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.095 7.923 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.277 6.439 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.755 6.858 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.976 9.703 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.642 8.026 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.861 10.865 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.693 10.030 -1.206 1.00 0.00 H new ATOM 531 N ASP A 32 5.388 6.558 6.018 1.00 0.00 N ATOM 532 CA ASP A 32 5.703 5.486 6.952 1.00 0.00 C ATOM 533 C ASP A 32 4.572 5.293 7.960 1.00 0.00 C ATOM 534 O ASP A 32 4.230 4.164 8.311 1.00 0.00 O ATOM 535 CB ASP A 32 7.003 5.799 7.688 1.00 0.00 C ATOM 536 CG ASP A 32 7.502 4.555 8.417 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.117 3.465 8.021 1.00 0.00 O ATOM 538 OD2 ASP A 32 8.259 4.708 9.359 1.00 0.00 O ATOM 0 H ASP A 32 5.911 7.421 6.166 1.00 0.00 H new ATOM 0 HA ASP A 32 5.822 4.563 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.757 6.143 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.842 6.608 8.400 1.00 0.00 H new ATOM 543 N SER A 33 4.006 6.400 8.430 1.00 0.00 N ATOM 544 CA SER A 33 2.926 6.337 9.408 1.00 0.00 C ATOM 545 C SER A 33 1.672 5.719 8.798 1.00 0.00 C ATOM 546 O SER A 33 1.060 4.828 9.386 1.00 0.00 O ATOM 547 CB SER A 33 2.596 7.741 9.911 1.00 0.00 C ATOM 548 OG SER A 33 2.213 8.556 8.810 1.00 0.00 O ATOM 0 H SER A 33 4.274 7.344 8.152 1.00 0.00 H new ATOM 0 HA SER A 33 3.259 5.713 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.790 7.697 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.461 8.172 10.414 1.00 0.00 H new ATOM 0 HG SER A 33 2.830 8.408 8.063 1.00 0.00 H new ATOM 554 N VAL A 34 1.291 6.199 7.619 1.00 0.00 N ATOM 555 CA VAL A 34 0.100 5.678 6.949 1.00 0.00 C ATOM 556 C VAL A 34 0.302 4.219 6.559 1.00 0.00 C ATOM 557 O VAL A 34 -0.598 3.397 6.722 1.00 0.00 O ATOM 558 CB VAL A 34 -0.199 6.506 5.698 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.420 7.967 6.095 1.00 0.00 C ATOM 560 CG2 VAL A 34 0.984 6.410 4.740 1.00 0.00 C ATOM 0 H VAL A 34 1.780 6.937 7.112 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.742 5.745 7.638 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.096 6.125 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.633 8.558 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.262 8.033 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.477 8.352 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.777 6.998 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.880 6.795 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.142 5.368 4.460 1.00 0.00 H new ATOM 570 N LEU A 35 1.486 3.898 6.045 1.00 0.00 N ATOM 571 CA LEU A 35 1.778 2.529 5.642 1.00 0.00 C ATOM 572 C LEU A 35 1.730 1.589 6.843 1.00 0.00 C ATOM 573 O LEU A 35 1.175 0.493 6.764 1.00 0.00 O ATOM 574 CB LEU A 35 3.166 2.464 4.990 1.00 0.00 C ATOM 575 CG LEU A 35 3.090 2.975 3.539 1.00 0.00 C ATOM 576 CD1 LEU A 35 4.512 3.151 2.990 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.299 1.983 2.650 1.00 0.00 C ATOM 0 H LEU A 35 2.249 4.559 5.900 1.00 0.00 H new ATOM 0 HA LEU A 35 1.022 2.213 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.873 3.066 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.536 1.439 5.004 1.00 0.00 H new ATOM 0 HG LEU A 35 2.570 3.933 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.463 3.513 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.052 3.872 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.032 2.193 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.257 2.363 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.796 1.013 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.286 1.874 3.038 1.00 0.00 H new ATOM 589 N SER A 36 2.309 2.023 7.953 1.00 0.00 N ATOM 590 CA SER A 36 2.318 1.206 9.158 1.00 0.00 C ATOM 591 C SER A 36 0.910 1.060 9.724 1.00 0.00 C ATOM 592 O SER A 36 0.494 -0.030 10.117 1.00 0.00 O ATOM 593 CB SER A 36 3.228 1.845 10.205 1.00 0.00 C ATOM 594 OG SER A 36 2.762 3.155 10.494 1.00 0.00 O ATOM 0 H SER A 36 2.774 2.926 8.045 1.00 0.00 H new ATOM 0 HA SER A 36 2.692 0.215 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.237 1.241 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.253 1.884 9.837 1.00 0.00 H new ATOM 0 HG SER A 36 2.225 3.484 9.743 1.00 0.00 H new ATOM 600 N LYS A 37 0.176 2.165 9.753 1.00 0.00 N ATOM 601 CA LYS A 37 -1.186 2.152 10.265 1.00 0.00 C ATOM 602 C LYS A 37 -2.088 1.292 9.387 1.00 0.00 C ATOM 603 O LYS A 37 -3.002 0.630 9.876 1.00 0.00 O ATOM 604 CB LYS A 37 -1.740 3.579 10.323 1.00 0.00 C ATOM 605 CG LYS A 37 -2.988 3.610 11.212 1.00 0.00 C ATOM 606 CD LYS A 37 -3.485 5.050 11.347 1.00 0.00 C ATOM 607 CE LYS A 37 -4.746 5.078 12.214 1.00 0.00 C ATOM 608 NZ LYS A 37 -4.398 4.691 13.610 1.00 0.00 N ATOM 0 H LYS A 37 0.500 3.077 9.430 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.166 1.728 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.984 4.258 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.987 3.925 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.769 2.984 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.757 3.201 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.710 5.673 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.699 5.465 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.187 6.075 12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.493 4.394 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.156 4.995 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.289 3.658 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.506 5.149 13.885 1.00 0.00 H new ATOM 622 N ALA A 38 -1.830 1.318 8.083 1.00 0.00 N ATOM 623 CA ALA A 38 -2.628 0.549 7.135 1.00 0.00 C ATOM 624 C ALA A 38 -2.165 -0.903 7.090 1.00 0.00 C ATOM 625 O ALA A 38 -2.949 -1.821 7.341 1.00 0.00 O ATOM 626 CB ALA A 38 -2.510 1.162 5.739 1.00 0.00 C ATOM 0 H ALA A 38 -1.077 1.861 7.660 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.667 0.576 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.108 0.583 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.871 2.190 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.467 1.150 5.423 1.00 0.00 H new ATOM 632 N CYS A 39 -0.889 -1.105 6.765 1.00 0.00 N ATOM 633 CA CYS A 39 -0.327 -2.454 6.685 1.00 0.00 C ATOM 634 C CYS A 39 1.068 -2.494 7.301 1.00 0.00 C ATOM 635 O CYS A 39 2.061 -2.216 6.629 1.00 0.00 O ATOM 636 CB CYS A 39 -0.248 -2.893 5.226 1.00 0.00 C ATOM 637 SG CYS A 39 -1.912 -3.241 4.616 1.00 0.00 S ATOM 0 H CYS A 39 -0.228 -0.358 6.554 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.976 -3.131 7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.216 -2.112 4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.378 -3.781 5.135 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.786 -2.864 5.501 1.00 0.00 H new ATOM 643 N SER A 40 1.135 -2.853 8.581 1.00 0.00 N ATOM 644 CA SER A 40 2.413 -2.943 9.291 1.00 0.00 C ATOM 645 C SER A 40 2.873 -4.397 9.374 1.00 0.00 C ATOM 646 O SER A 40 3.949 -4.687 9.895 1.00 0.00 O ATOM 647 CB SER A 40 2.267 -2.364 10.706 1.00 0.00 C ATOM 648 OG SER A 40 0.987 -2.701 11.222 1.00 0.00 O ATOM 0 H SER A 40 0.321 -3.087 9.149 1.00 0.00 H new ATOM 0 HA SER A 40 3.159 -2.368 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.049 -2.759 11.355 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.389 -1.281 10.682 1.00 0.00 H new ATOM 0 HG SER A 40 0.359 -1.971 11.042 1.00 0.00 H new ATOM 654 N GLU A 41 2.049 -5.310 8.864 1.00 0.00 N ATOM 655 CA GLU A 41 2.381 -6.735 8.890 1.00 0.00 C ATOM 656 C GLU A 41 1.849 -7.434 7.648 1.00 0.00 C ATOM 657 O GLU A 41 0.659 -7.353 7.339 1.00 0.00 O ATOM 658 CB GLU A 41 1.785 -7.392 10.138 1.00 0.00 C ATOM 659 CG GLU A 41 2.512 -6.887 11.388 1.00 0.00 C ATOM 660 CD GLU A 41 1.923 -7.540 12.633 1.00 0.00 C ATOM 661 OE1 GLU A 41 1.017 -8.343 12.486 1.00 0.00 O ATOM 662 OE2 GLU A 41 2.394 -7.232 13.715 1.00 0.00 O ATOM 0 H GLU A 41 1.152 -5.092 8.430 1.00 0.00 H new ATOM 0 HA GLU A 41 3.467 -6.831 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.721 -7.164 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.874 -8.476 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.576 -7.114 11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.422 -5.803 11.458 1.00 0.00 H new ATOM 669 N PHE A 42 2.737 -8.133 6.938 1.00 0.00 N ATOM 670 CA PHE A 42 2.351 -8.857 5.728 1.00 0.00 C ATOM 671 C PHE A 42 2.428 -10.359 5.968 1.00 0.00 C ATOM 672 O PHE A 42 3.513 -10.921 6.124 1.00 0.00 O ATOM 673 CB PHE A 42 3.277 -8.474 4.571 1.00 0.00 C ATOM 674 CG PHE A 42 2.976 -7.057 4.135 1.00 0.00 C ATOM 675 CD1 PHE A 42 1.816 -6.784 3.398 1.00 0.00 C ATOM 676 CD2 PHE A 42 3.854 -6.019 4.472 1.00 0.00 C ATOM 677 CE1 PHE A 42 1.539 -5.471 2.995 1.00 0.00 C ATOM 678 CE2 PHE A 42 3.573 -4.707 4.068 1.00 0.00 C ATOM 679 CZ PHE A 42 2.416 -4.435 3.330 1.00 0.00 C ATOM 0 H PHE A 42 3.725 -8.212 7.180 1.00 0.00 H new ATOM 0 HA PHE A 42 1.326 -8.589 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.319 -8.557 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.137 -9.161 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.137 -7.584 3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.746 -6.230 5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.647 -5.259 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.250 -3.906 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.200 -3.424 3.019 1.00 0.00 H new ATOM 689 N GLU A 43 1.266 -11.003 5.991 1.00 0.00 N ATOM 690 CA GLU A 43 1.202 -12.442 6.205 1.00 0.00 C ATOM 691 C GLU A 43 1.737 -13.183 4.989 1.00 0.00 C ATOM 692 O GLU A 43 1.731 -12.656 3.877 1.00 0.00 O ATOM 693 CB GLU A 43 -0.245 -12.875 6.467 1.00 0.00 C ATOM 694 CG GLU A 43 -1.169 -12.320 5.367 1.00 0.00 C ATOM 695 CD GLU A 43 -1.546 -10.872 5.665 1.00 0.00 C ATOM 696 OE1 GLU A 43 -1.795 -10.572 6.822 1.00 0.00 O ATOM 697 OE2 GLU A 43 -1.575 -10.083 4.735 1.00 0.00 O ATOM 0 H GLU A 43 0.360 -10.552 5.865 1.00 0.00 H new ATOM 0 HA GLU A 43 1.815 -12.686 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.309 -13.963 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.570 -12.514 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.670 -12.380 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.070 -12.930 5.299 1.00 0.00 H new ATOM 704 N VAL A 44 2.190 -14.415 5.202 1.00 0.00 N ATOM 705 CA VAL A 44 2.721 -15.236 4.112 1.00 0.00 C ATOM 706 C VAL A 44 2.096 -16.625 4.136 1.00 0.00 C ATOM 707 O VAL A 44 2.129 -17.317 5.154 1.00 0.00 O ATOM 708 CB VAL A 44 4.236 -15.361 4.252 1.00 0.00 C ATOM 709 CG1 VAL A 44 4.786 -16.214 3.106 1.00 0.00 C ATOM 710 CG2 VAL A 44 4.862 -13.966 4.200 1.00 0.00 C ATOM 0 H VAL A 44 2.201 -14.868 6.116 1.00 0.00 H new ATOM 0 HA VAL A 44 2.477 -14.755 3.165 1.00 0.00 H new ATOM 0 HB VAL A 44 4.479 -15.836 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.868 -16.303 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.335 -17.206 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.547 -15.741 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.944 -14.049 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.620 -13.494 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.468 -13.360 5.016 1.00 0.00 H new ATOM 720 N ASP A 45 1.523 -17.029 3.003 1.00 0.00 N ATOM 721 CA ASP A 45 0.888 -18.339 2.894 1.00 0.00 C ATOM 722 C ASP A 45 1.041 -18.890 1.483 1.00 0.00 C ATOM 723 O ASP A 45 1.101 -18.134 0.512 1.00 0.00 O ATOM 724 CB ASP A 45 -0.597 -18.227 3.236 1.00 0.00 C ATOM 725 CG ASP A 45 -0.769 -17.816 4.692 1.00 0.00 C ATOM 726 OD1 ASP A 45 -0.208 -18.485 5.545 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.455 -16.838 4.935 1.00 0.00 O ATOM 0 H ASP A 45 1.486 -16.469 2.151 1.00 0.00 H new ATOM 0 HA ASP A 45 1.375 -19.018 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.074 -17.495 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.092 -19.182 3.059 1.00 0.00 H new ATOM 732 N LYS A 46 1.105 -20.209 1.377 1.00 0.00 N ATOM 733 CA LYS A 46 1.254 -20.855 0.077 1.00 0.00 C ATOM 734 C LYS A 46 -0.040 -20.757 -0.725 1.00 0.00 C ATOM 735 O LYS A 46 -0.224 -21.472 -1.711 1.00 0.00 O ATOM 736 CB LYS A 46 1.617 -22.327 0.266 1.00 0.00 C ATOM 737 CG LYS A 46 3.011 -22.431 0.879 1.00 0.00 C ATOM 738 CD LYS A 46 3.342 -23.902 1.171 1.00 0.00 C ATOM 739 CE LYS A 46 3.696 -24.638 -0.127 1.00 0.00 C ATOM 740 NZ LYS A 46 4.332 -25.944 0.202 1.00 0.00 N ATOM 0 H LYS A 46 1.057 -20.851 2.168 1.00 0.00 H new ATOM 0 HA LYS A 46 2.049 -20.346 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.886 -22.813 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.590 -22.846 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.750 -22.011 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.058 -21.848 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.176 -23.962 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.490 -24.385 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.798 -24.798 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.374 -24.032 -0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.573 -26.444 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.198 -25.779 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.671 -26.522 0.759 1.00 0.00 H new ATOM 754 N ASP A 47 -0.931 -19.863 -0.299 1.00 0.00 N ATOM 755 CA ASP A 47 -2.213 -19.667 -0.982 1.00 0.00 C ATOM 756 C ASP A 47 -2.262 -18.297 -1.650 1.00 0.00 C ATOM 757 O ASP A 47 -3.238 -17.958 -2.323 1.00 0.00 O ATOM 758 CB ASP A 47 -3.356 -19.783 0.025 1.00 0.00 C ATOM 759 CG ASP A 47 -3.436 -21.212 0.549 1.00 0.00 C ATOM 760 OD1 ASP A 47 -2.917 -22.095 -0.114 1.00 0.00 O ATOM 761 OD2 ASP A 47 -4.008 -21.402 1.610 1.00 0.00 O ATOM 0 H ASP A 47 -0.791 -19.263 0.514 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.318 -20.435 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.197 -19.091 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.299 -19.505 -0.447 1.00 0.00 H new ATOM 766 N VAL A 48 -1.208 -17.505 -1.457 1.00 0.00 N ATOM 767 CA VAL A 48 -1.134 -16.163 -2.039 1.00 0.00 C ATOM 768 C VAL A 48 0.061 -16.060 -2.978 1.00 0.00 C ATOM 769 O VAL A 48 1.171 -16.466 -2.636 1.00 0.00 O ATOM 770 CB VAL A 48 -0.996 -15.115 -0.932 1.00 0.00 C ATOM 771 CG1 VAL A 48 -0.899 -13.724 -1.559 1.00 0.00 C ATOM 772 CG2 VAL A 48 -2.224 -15.179 -0.022 1.00 0.00 C ATOM 0 H VAL A 48 -0.393 -17.768 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.051 -15.981 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.097 -15.314 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.801 -12.976 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.028 -13.680 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.799 -13.523 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.130 -14.434 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.121 -14.977 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.297 -16.172 0.422 1.00 0.00 H new ATOM 782 N THR A 49 -0.176 -15.516 -4.170 1.00 0.00 N ATOM 783 CA THR A 49 0.884 -15.360 -5.163 1.00 0.00 C ATOM 784 C THR A 49 1.375 -13.919 -5.191 1.00 0.00 C ATOM 785 O THR A 49 0.666 -13.001 -4.776 1.00 0.00 O ATOM 786 CB THR A 49 0.356 -15.753 -6.548 1.00 0.00 C ATOM 787 OG1 THR A 49 -0.684 -14.863 -6.930 1.00 0.00 O ATOM 788 CG2 THR A 49 -0.185 -17.184 -6.501 1.00 0.00 C ATOM 0 H THR A 49 -1.090 -15.177 -4.471 1.00 0.00 H new ATOM 0 HA THR A 49 1.717 -16.010 -4.894 1.00 0.00 H new ATOM 0 HB THR A 49 1.166 -15.696 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.763 -14.852 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.560 -17.464 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.614 -17.866 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.995 -17.243 -5.774 1.00 0.00 H new ATOM 796 N LEU A 50 2.591 -13.731 -5.674 1.00 0.00 N ATOM 797 CA LEU A 50 3.175 -12.397 -5.744 1.00 0.00 C ATOM 798 C LEU A 50 2.199 -11.414 -6.382 1.00 0.00 C ATOM 799 O LEU A 50 2.055 -10.283 -5.921 1.00 0.00 O ATOM 800 CB LEU A 50 4.468 -12.447 -6.566 1.00 0.00 C ATOM 801 CG LEU A 50 4.186 -13.037 -7.979 1.00 0.00 C ATOM 802 CD1 LEU A 50 4.089 -11.914 -9.022 1.00 0.00 C ATOM 803 CD2 LEU A 50 5.309 -14.004 -8.387 1.00 0.00 C ATOM 0 H LEU A 50 3.192 -14.478 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 50 3.395 -12.059 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.887 -11.445 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.211 -13.056 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 50 3.238 -13.574 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.892 -12.345 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.278 -11.237 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.028 -11.362 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.099 -14.409 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.259 -13.470 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.367 -14.820 -7.666 1.00 0.00 H new ATOM 815 N ASP A 51 1.526 -11.852 -7.444 1.00 0.00 N ATOM 816 CA ASP A 51 0.564 -10.997 -8.128 1.00 0.00 C ATOM 817 C ASP A 51 -0.544 -10.567 -7.165 1.00 0.00 C ATOM 818 O ASP A 51 -0.867 -9.378 -7.049 1.00 0.00 O ATOM 819 CB ASP A 51 -0.041 -11.752 -9.318 1.00 0.00 C ATOM 820 CG ASP A 51 -0.341 -13.196 -8.923 1.00 0.00 C ATOM 821 OD1 ASP A 51 0.604 -13.939 -8.716 1.00 0.00 O ATOM 822 OD2 ASP A 51 -1.507 -13.537 -8.838 1.00 0.00 O ATOM 0 H ASP A 51 1.629 -12.784 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 51 1.077 -10.105 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.956 -11.258 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.650 -11.733 -10.161 1.00 0.00 H new ATOM 827 N GLU A 52 -1.108 -11.541 -6.461 1.00 0.00 N ATOM 828 CA GLU A 52 -2.163 -11.257 -5.502 1.00 0.00 C ATOM 829 C GLU A 52 -1.630 -10.393 -4.372 1.00 0.00 C ATOM 830 O GLU A 52 -2.333 -9.528 -3.853 1.00 0.00 O ATOM 831 CB GLU A 52 -2.722 -12.565 -4.932 1.00 0.00 C ATOM 832 CG GLU A 52 -3.478 -13.329 -6.022 1.00 0.00 C ATOM 833 CD GLU A 52 -4.730 -12.558 -6.430 1.00 0.00 C ATOM 834 OE1 GLU A 52 -5.181 -11.743 -5.641 1.00 0.00 O ATOM 835 OE2 GLU A 52 -5.223 -12.797 -7.519 1.00 0.00 O ATOM 0 H GLU A 52 -0.854 -12.526 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.961 -10.719 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.909 -13.179 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.389 -12.352 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.833 -13.475 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.753 -14.319 -5.659 1.00 0.00 H new ATOM 842 N LEU A 53 -0.378 -10.628 -3.997 1.00 0.00 N ATOM 843 CA LEU A 53 0.231 -9.854 -2.929 1.00 0.00 C ATOM 844 C LEU A 53 0.290 -8.381 -3.311 1.00 0.00 C ATOM 845 O LEU A 53 -0.019 -7.518 -2.494 1.00 0.00 O ATOM 846 CB LEU A 53 1.646 -10.369 -2.642 1.00 0.00 C ATOM 847 CG LEU A 53 2.336 -9.486 -1.589 1.00 0.00 C ATOM 848 CD1 LEU A 53 1.484 -9.420 -0.312 1.00 0.00 C ATOM 849 CD2 LEU A 53 3.716 -10.073 -1.266 1.00 0.00 C ATOM 0 H LEU A 53 0.226 -11.338 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.378 -9.965 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.600 -11.399 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.231 -10.374 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 53 2.450 -8.476 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.983 -8.792 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.507 -8.997 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.357 -10.424 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.210 -9.451 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.599 -11.084 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.321 -10.102 -2.173 1.00 0.00 H new ATOM 861 N LEU A 54 0.684 -8.107 -4.549 1.00 0.00 N ATOM 862 CA LEU A 54 0.783 -6.732 -5.034 1.00 0.00 C ATOM 863 C LEU A 54 -0.592 -6.075 -5.028 1.00 0.00 C ATOM 864 O LEU A 54 -0.743 -4.901 -4.671 1.00 0.00 O ATOM 865 CB LEU A 54 1.357 -6.723 -6.451 1.00 0.00 C ATOM 866 CG LEU A 54 2.835 -7.150 -6.417 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.327 -7.391 -7.850 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.699 -6.061 -5.737 1.00 0.00 C ATOM 0 H LEU A 54 0.940 -8.816 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 54 1.446 -6.170 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.788 -7.400 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.267 -5.727 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 54 2.926 -8.070 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.374 -7.694 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.731 -8.178 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.226 -6.473 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.741 -6.380 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.613 -5.128 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.352 -5.907 -4.715 1.00 0.00 H new ATOM 880 N ASP A 55 -1.599 -6.833 -5.429 1.00 0.00 N ATOM 881 CA ASP A 55 -2.951 -6.308 -5.451 1.00 0.00 C ATOM 882 C ASP A 55 -3.453 -6.037 -4.032 1.00 0.00 C ATOM 883 O ASP A 55 -4.081 -5.011 -3.776 1.00 0.00 O ATOM 884 CB ASP A 55 -3.884 -7.297 -6.136 1.00 0.00 C ATOM 885 CG ASP A 55 -3.595 -7.330 -7.630 1.00 0.00 C ATOM 886 OD1 ASP A 55 -2.906 -6.438 -8.101 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.067 -8.244 -8.284 1.00 0.00 O ATOM 0 H ASP A 55 -1.507 -7.800 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.941 -5.370 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.752 -8.291 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.922 -7.011 -5.963 1.00 0.00 H new ATOM 892 N VAL A 56 -3.191 -6.976 -3.122 1.00 0.00 N ATOM 893 CA VAL A 56 -3.645 -6.839 -1.736 1.00 0.00 C ATOM 894 C VAL A 56 -2.981 -5.652 -1.049 1.00 0.00 C ATOM 895 O VAL A 56 -3.653 -4.822 -0.450 1.00 0.00 O ATOM 896 CB VAL A 56 -3.318 -8.116 -0.953 1.00 0.00 C ATOM 897 CG1 VAL A 56 -3.557 -7.887 0.548 1.00 0.00 C ATOM 898 CG2 VAL A 56 -4.211 -9.259 -1.442 1.00 0.00 C ATOM 0 H VAL A 56 -2.672 -7.832 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.722 -6.673 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.271 -8.374 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.322 -8.799 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.917 -7.077 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.601 -7.622 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.978 -10.167 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.257 -8.996 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.035 -9.430 -2.504 1.00 0.00 H new ATOM 908 N VAL A 57 -1.659 -5.598 -1.104 1.00 0.00 N ATOM 909 CA VAL A 57 -0.936 -4.519 -0.445 1.00 0.00 C ATOM 910 C VAL A 57 -1.385 -3.179 -1.000 1.00 0.00 C ATOM 911 O VAL A 57 -1.643 -2.244 -0.241 1.00 0.00 O ATOM 912 CB VAL A 57 0.569 -4.690 -0.658 1.00 0.00 C ATOM 913 CG1 VAL A 57 0.875 -4.663 -2.152 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.326 -3.553 0.035 1.00 0.00 C ATOM 0 H VAL A 57 -1.072 -6.276 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.150 -4.552 0.623 1.00 0.00 H new ATOM 0 HB VAL A 57 0.885 -5.643 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.947 -4.785 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.343 -5.475 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.554 -3.710 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.397 -3.681 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.010 -2.597 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.110 -3.570 1.103 1.00 0.00 H new ATOM 924 N LEU A 58 -1.475 -3.081 -2.324 1.00 0.00 N ATOM 925 CA LEU A 58 -1.891 -1.826 -2.939 1.00 0.00 C ATOM 926 C LEU A 58 -3.338 -1.499 -2.577 1.00 0.00 C ATOM 927 O LEU A 58 -3.641 -0.415 -2.083 1.00 0.00 O ATOM 928 CB LEU A 58 -1.756 -1.939 -4.460 1.00 0.00 C ATOM 929 CG LEU A 58 -2.174 -0.623 -5.131 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.285 0.529 -4.633 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.041 -0.772 -6.650 1.00 0.00 C ATOM 0 H LEU A 58 -1.271 -3.837 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.252 -1.025 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.726 -2.178 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.377 -2.756 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.209 -0.396 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.590 1.458 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.390 0.629 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.244 0.317 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.336 0.159 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.006 -1.001 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.686 -1.580 -6.994 1.00 0.00 H new ATOM 943 N ASP A 59 -4.229 -2.434 -2.850 1.00 0.00 N ATOM 944 CA ASP A 59 -5.637 -2.223 -2.571 1.00 0.00 C ATOM 945 C ASP A 59 -5.834 -1.948 -1.088 1.00 0.00 C ATOM 946 O ASP A 59 -6.745 -1.223 -0.694 1.00 0.00 O ATOM 947 CB ASP A 59 -6.452 -3.452 -2.980 1.00 0.00 C ATOM 948 CG ASP A 59 -6.511 -3.565 -4.500 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.165 -2.599 -5.163 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.901 -4.616 -4.980 1.00 0.00 O ATOM 0 H ASP A 59 -4.005 -3.340 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.982 -1.365 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.003 -4.351 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.461 -3.379 -2.574 1.00 0.00 H new ATOM 955 N ALA A 60 -4.980 -2.548 -0.269 1.00 0.00 N ATOM 956 CA ALA A 60 -5.071 -2.378 1.176 1.00 0.00 C ATOM 957 C ALA A 60 -4.792 -0.933 1.585 1.00 0.00 C ATOM 958 O ALA A 60 -5.620 -0.290 2.236 1.00 0.00 O ATOM 959 CB ALA A 60 -4.051 -3.294 1.860 1.00 0.00 C ATOM 0 H ALA A 60 -4.220 -3.154 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.084 -2.636 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.117 -3.169 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.263 -4.331 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.047 -3.034 1.525 1.00 0.00 H new ATOM 965 N VAL A 61 -3.625 -0.420 1.198 1.00 0.00 N ATOM 966 CA VAL A 61 -3.264 0.951 1.542 1.00 0.00 C ATOM 967 C VAL A 61 -4.137 1.944 0.785 1.00 0.00 C ATOM 968 O VAL A 61 -4.614 2.927 1.354 1.00 0.00 O ATOM 969 CB VAL A 61 -1.789 1.207 1.224 1.00 0.00 C ATOM 970 CG1 VAL A 61 -0.920 0.257 2.048 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.535 0.954 -0.263 1.00 0.00 C ATOM 0 H VAL A 61 -2.925 -0.925 0.655 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.427 1.088 2.611 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.541 2.240 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.131 0.438 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.099 0.429 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.172 -0.774 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.484 1.137 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.784 -0.080 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.156 1.625 -0.857 1.00 0.00 H new ATOM 981 N GLU A 62 -4.339 1.686 -0.503 1.00 0.00 N ATOM 982 CA GLU A 62 -5.148 2.567 -1.331 1.00 0.00 C ATOM 983 C GLU A 62 -6.558 2.675 -0.766 1.00 0.00 C ATOM 984 O GLU A 62 -7.118 3.768 -0.676 1.00 0.00 O ATOM 985 CB GLU A 62 -5.206 2.027 -2.761 1.00 0.00 C ATOM 986 CG GLU A 62 -5.971 3.008 -3.652 1.00 0.00 C ATOM 987 CD GLU A 62 -5.976 2.510 -5.093 1.00 0.00 C ATOM 988 OE1 GLU A 62 -5.202 1.617 -5.394 1.00 0.00 O ATOM 989 OE2 GLU A 62 -6.754 3.030 -5.876 1.00 0.00 O ATOM 0 H GLU A 62 -3.955 0.878 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.693 3.558 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.197 1.882 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.695 1.053 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.994 3.116 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.509 3.994 -3.601 1.00 0.00 H new ATOM 996 N SER A 63 -7.124 1.537 -0.387 1.00 0.00 N ATOM 997 CA SER A 63 -8.469 1.523 0.170 1.00 0.00 C ATOM 998 C SER A 63 -8.519 2.308 1.474 1.00 0.00 C ATOM 999 O SER A 63 -9.428 3.110 1.688 1.00 0.00 O ATOM 1000 CB SER A 63 -8.910 0.083 0.429 1.00 0.00 C ATOM 1001 OG SER A 63 -7.984 -0.540 1.310 1.00 0.00 O ATOM 0 H SER A 63 -6.679 0.622 -0.454 1.00 0.00 H new ATOM 0 HA SER A 63 -9.142 1.989 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.909 0.069 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.963 -0.468 -0.510 1.00 0.00 H new ATOM 0 HG SER A 63 -7.436 -1.180 0.809 1.00 0.00 H new ATOM 1007 N THR A 64 -7.543 2.071 2.347 1.00 0.00 N ATOM 1008 CA THR A 64 -7.511 2.769 3.626 1.00 0.00 C ATOM 1009 C THR A 64 -7.340 4.264 3.410 1.00 0.00 C ATOM 1010 O THR A 64 -8.120 5.070 3.922 1.00 0.00 O ATOM 1011 CB THR A 64 -6.348 2.244 4.471 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.373 0.825 4.471 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.482 2.758 5.905 1.00 0.00 C ATOM 0 H THR A 64 -6.778 1.414 2.196 1.00 0.00 H new ATOM 0 HA THR A 64 -8.453 2.590 4.144 1.00 0.00 H new ATOM 0 HB THR A 64 -5.405 2.594 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.786 0.487 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.653 2.383 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.465 3.848 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.424 2.410 6.330 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.314 4.634 2.640 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.047 6.043 2.345 1.00 0.00 C ATOM 1023 C LEU A 65 -6.335 6.351 0.879 1.00 0.00 C ATOM 1024 O LEU A 65 -5.415 6.553 0.085 1.00 0.00 O ATOM 1025 CB LEU A 65 -4.588 6.380 2.666 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.396 7.909 2.679 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -5.001 8.530 3.956 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -2.899 8.226 2.617 1.00 0.00 C ATOM 0 H LEU A 65 -5.658 3.981 2.212 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.703 6.653 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.313 5.962 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.929 5.928 1.925 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.907 8.334 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.852 9.610 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.068 8.311 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.510 8.108 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.755 9.306 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.398 7.786 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.477 7.811 1.702 1.00 0.00 H new ATOM 1040 N SER A 66 -7.616 6.402 0.529 1.00 0.00 N ATOM 1041 CA SER A 66 -8.014 6.703 -0.837 1.00 0.00 C ATOM 1042 C SER A 66 -7.881 8.206 -1.118 1.00 0.00 C ATOM 1043 O SER A 66 -7.358 8.607 -2.156 1.00 0.00 O ATOM 1044 CB SER A 66 -9.462 6.237 -1.073 1.00 0.00 C ATOM 1045 OG SER A 66 -9.482 5.291 -2.133 1.00 0.00 O ATOM 0 H SER A 66 -8.392 6.239 1.171 1.00 0.00 H new ATOM 0 HA SER A 66 -7.355 6.170 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.866 5.791 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.095 7.089 -1.318 1.00 0.00 H new ATOM 0 HG SER A 66 -8.796 4.609 -1.976 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.365 9.032 -0.221 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.319 10.509 -0.392 1.00 0.00 C ATOM 1053 C PRO A 67 -6.968 11.087 0.018 1.00 0.00 C ATOM 1054 O PRO A 67 -6.650 11.169 1.206 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.447 11.006 0.525 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.585 9.968 1.604 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.001 8.650 1.051 1.00 0.00 C ATOM 0 HA PRO A 67 -8.446 10.817 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.206 11.981 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.379 11.121 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.053 10.276 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.631 9.838 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.278 8.216 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.781 7.905 0.896 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.178 11.497 -0.974 1.00 0.00 N ATOM 1066 CA CYS A 68 -4.859 12.080 -0.711 1.00 0.00 C ATOM 1067 C CYS A 68 -4.669 13.346 -1.534 1.00 0.00 C ATOM 1068 O CYS A 68 -3.749 14.123 -1.287 1.00 0.00 O ATOM 1069 CB CYS A 68 -3.759 11.063 -1.046 1.00 0.00 C ATOM 1070 SG CYS A 68 -4.357 9.398 -0.659 1.00 0.00 S ATOM 0 H CYS A 68 -6.425 11.438 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.793 12.337 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.492 11.131 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.857 11.282 -0.474 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.421 9.145 -1.362 1.00 0.00 H new ATOM 1076 N LYS A 69 -5.545 13.549 -2.512 1.00 0.00 N ATOM 1077 CA LYS A 69 -5.456 14.725 -3.370 1.00 0.00 C ATOM 1078 C LYS A 69 -5.351 16.002 -2.539 1.00 0.00 C ATOM 1079 O LYS A 69 -5.149 17.089 -3.079 1.00 0.00 O ATOM 1080 CB LYS A 69 -6.685 14.813 -4.271 1.00 0.00 C ATOM 1081 CG LYS A 69 -6.675 13.642 -5.257 1.00 0.00 C ATOM 1082 CD LYS A 69 -7.957 13.655 -6.100 1.00 0.00 C ATOM 1083 CE LYS A 69 -7.853 14.711 -7.210 1.00 0.00 C ATOM 1084 NZ LYS A 69 -8.987 14.538 -8.160 1.00 0.00 N ATOM 0 H LYS A 69 -6.318 12.921 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.558 14.627 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.594 14.789 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.686 15.759 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.802 13.710 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.596 12.700 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.122 12.671 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.816 13.869 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.874 15.712 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.904 14.610 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.920 15.252 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.947 13.587 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.887 14.655 -7.652 1.00 0.00 H new ATOM 1098 N GLU A 70 -5.492 15.864 -1.223 1.00 0.00 N ATOM 1099 CA GLU A 70 -5.417 17.012 -0.328 1.00 0.00 C ATOM 1100 C GLU A 70 -3.980 17.508 -0.215 1.00 0.00 C ATOM 1101 O GLU A 70 -3.732 18.711 -0.137 1.00 0.00 O ATOM 1102 CB GLU A 70 -5.937 16.613 1.058 1.00 0.00 C ATOM 1103 CG GLU A 70 -4.982 15.598 1.697 1.00 0.00 C ATOM 1104 CD GLU A 70 -5.596 15.039 2.978 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -6.762 14.677 2.942 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -4.894 14.983 3.972 1.00 0.00 O ATOM 0 H GLU A 70 -5.658 14.973 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.031 17.816 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.023 17.495 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.935 16.184 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.778 14.787 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.027 16.074 1.919 1.00 0.00 H new ATOM 1113 N HIS A 71 -3.032 16.573 -0.214 1.00 0.00 N ATOM 1114 CA HIS A 71 -1.619 16.926 -0.117 1.00 0.00 C ATOM 1115 C HIS A 71 -1.060 17.286 -1.489 1.00 0.00 C ATOM 1116 O HIS A 71 -1.590 16.862 -2.517 1.00 0.00 O ATOM 1117 CB HIS A 71 -0.823 15.758 0.470 1.00 0.00 C ATOM 1118 CG HIS A 71 -1.127 15.625 1.936 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -0.649 16.532 2.870 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -1.853 14.702 2.646 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -1.090 16.139 4.078 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -1.829 15.029 3.999 1.00 0.00 N ATOM 0 H HIS A 71 -3.216 15.572 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.527 17.792 0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.078 14.834 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.244 15.922 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.365 13.852 2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.873 16.658 5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.279 14.529 4.765 1.00 0.00 H new ATOM 1130 N ASP A 72 0.018 18.065 -1.496 1.00 0.00 N ATOM 1131 CA ASP A 72 0.640 18.472 -2.748 1.00 0.00 C ATOM 1132 C ASP A 72 1.444 17.321 -3.346 1.00 0.00 C ATOM 1133 O ASP A 72 1.175 16.875 -4.462 1.00 0.00 O ATOM 1134 CB ASP A 72 1.559 19.671 -2.508 1.00 0.00 C ATOM 1135 CG ASP A 72 2.530 19.363 -1.373 1.00 0.00 C ATOM 1136 OD1 ASP A 72 2.229 18.481 -0.585 1.00 0.00 O ATOM 1137 OD2 ASP A 72 3.559 20.014 -1.306 1.00 0.00 O ATOM 0 H ASP A 72 0.474 18.423 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.146 18.752 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.112 19.904 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.965 20.551 -2.261 1.00 0.00 H new ATOM 1142 N VAL A 73 2.433 16.841 -2.593 1.00 0.00 N ATOM 1143 CA VAL A 73 3.276 15.736 -3.052 1.00 0.00 C ATOM 1144 C VAL A 73 2.751 14.408 -2.512 1.00 0.00 C ATOM 1145 O VAL A 73 2.657 13.422 -3.242 1.00 0.00 O ATOM 1146 CB VAL A 73 4.718 15.951 -2.583 1.00 0.00 C ATOM 1147 CG1 VAL A 73 5.238 17.285 -3.125 1.00 0.00 C ATOM 1148 CG2 VAL A 73 4.766 15.970 -1.050 1.00 0.00 C ATOM 0 H VAL A 73 2.670 17.197 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 73 3.252 15.707 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 73 5.342 15.138 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.264 17.438 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.209 17.271 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.611 18.097 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.794 16.123 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.140 16.781 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.398 15.020 -0.663 1.00 0.00 H new ATOM 1158 N ILE A 74 2.407 14.394 -1.227 1.00 0.00 N ATOM 1159 CA ILE A 74 1.888 13.185 -0.591 1.00 0.00 C ATOM 1160 C ILE A 74 0.486 12.874 -1.118 1.00 0.00 C ATOM 1161 O ILE A 74 -0.137 11.888 -0.726 1.00 0.00 O ATOM 1162 CB ILE A 74 1.845 13.357 0.937 1.00 0.00 C ATOM 1163 CG1 ILE A 74 3.082 14.136 1.397 1.00 0.00 C ATOM 1164 CG2 ILE A 74 1.837 11.984 1.621 1.00 0.00 C ATOM 1165 CD1 ILE A 74 3.085 14.236 2.921 1.00 0.00 C ATOM 0 H ILE A 74 2.477 15.201 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 74 2.553 12.355 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 74 0.940 13.901 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.988 13.637 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.081 15.133 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.807 12.116 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.960 11.422 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.739 11.436 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.965 14.790 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.186 14.755 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.106 13.235 3.351 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.006 13.730 -2.012 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.339 13.553 -2.594 1.00 0.00 C ATOM 1179 C GLY A 75 -1.252 13.072 -4.034 1.00 0.00 C ATOM 1180 O GLY A 75 -2.023 12.215 -4.463 1.00 0.00 O ATOM 0 H GLY A 75 0.495 14.552 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.905 12.834 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.884 14.496 -2.555 1.00 0.00 H new ATOM 1184 N THR A 76 -0.311 13.639 -4.778 1.00 0.00 N ATOM 1185 CA THR A 76 -0.134 13.267 -6.176 1.00 0.00 C ATOM 1186 C THR A 76 -0.086 11.753 -6.325 1.00 0.00 C ATOM 1187 O THR A 76 -0.179 11.224 -7.432 1.00 0.00 O ATOM 1188 CB THR A 76 1.157 13.882 -6.722 1.00 0.00 C ATOM 1189 OG1 THR A 76 1.131 15.288 -6.524 1.00 0.00 O ATOM 1190 CG2 THR A 76 1.284 13.573 -8.216 1.00 0.00 C ATOM 0 H THR A 76 0.336 14.352 -4.441 1.00 0.00 H new ATOM 0 HA THR A 76 -0.983 13.647 -6.744 1.00 0.00 H new ATOM 0 HB THR A 76 2.012 13.458 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.354 15.491 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.204 14.012 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.308 12.493 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.431 13.993 -8.748 1.00 0.00 H new ATOM 1198 N LYS A 77 0.060 11.061 -5.203 1.00 0.00 N ATOM 1199 CA LYS A 77 0.122 9.610 -5.222 1.00 0.00 C ATOM 1200 C LYS A 77 -1.115 9.032 -5.891 1.00 0.00 C ATOM 1201 O LYS A 77 -1.034 8.029 -6.590 1.00 0.00 O ATOM 1202 CB LYS A 77 0.240 9.068 -3.800 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.054 9.350 -3.030 1.00 0.00 C ATOM 1204 CD LYS A 77 -0.871 8.971 -1.561 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.797 7.448 -1.408 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.974 7.091 0.026 1.00 0.00 N ATOM 0 H LYS A 77 0.137 11.479 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 77 1.002 9.312 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.434 7.996 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.085 9.533 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.316 10.405 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.877 8.782 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.039 9.427 -1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.700 9.362 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.570 6.972 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.163 7.080 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.323 6.319 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.769 7.921 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.954 6.783 0.189 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.261 9.657 -5.659 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.506 9.177 -6.244 1.00 0.00 C ATOM 1222 C VAL A 78 -3.410 9.183 -7.769 1.00 0.00 C ATOM 1223 O VAL A 78 -3.795 8.217 -8.429 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.667 10.075 -5.785 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -5.922 9.786 -6.613 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -4.962 9.818 -4.299 1.00 0.00 C ATOM 0 H VAL A 78 -2.355 10.489 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.687 8.155 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.382 11.118 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.736 10.429 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.716 9.981 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.209 8.742 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.785 10.455 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.236 8.772 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.075 10.044 -3.708 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.896 10.276 -8.319 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.762 10.389 -9.764 1.00 0.00 C ATOM 1238 C CYS A 79 -1.781 9.350 -10.296 1.00 0.00 C ATOM 1239 O CYS A 79 -2.073 8.641 -11.264 1.00 0.00 O ATOM 1240 CB CYS A 79 -2.268 11.793 -10.125 1.00 0.00 C ATOM 1241 SG CYS A 79 -3.514 13.015 -9.643 1.00 0.00 S ATOM 0 H CYS A 79 -2.569 11.087 -7.794 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.737 10.213 -10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.325 12.000 -9.618 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.075 11.858 -11.196 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.093 14.207 -9.947 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.624 9.253 -9.654 1.00 0.00 N ATOM 1248 CA ALA A 80 0.389 8.292 -10.068 1.00 0.00 C ATOM 1249 C ALA A 80 -0.128 6.872 -9.891 1.00 0.00 C ATOM 1250 O ALA A 80 0.175 5.984 -10.688 1.00 0.00 O ATOM 1251 CB ALA A 80 1.664 8.484 -9.246 1.00 0.00 C ATOM 0 H ALA A 80 -0.365 9.824 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 80 0.615 8.458 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.414 7.760 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.046 9.493 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.442 8.335 -8.189 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.903 6.668 -8.839 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.453 5.356 -8.558 1.00 0.00 C ATOM 1259 C LEU A 81 -2.370 4.917 -9.683 1.00 0.00 C ATOM 1260 O LEU A 81 -2.324 3.772 -10.120 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.235 5.386 -7.235 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.845 3.987 -6.929 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.729 3.679 -5.430 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.331 3.947 -7.327 1.00 0.00 C ATOM 0 H LEU A 81 -1.164 7.392 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.631 4.645 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.574 5.686 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.029 6.131 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.294 3.244 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.158 2.698 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.679 3.683 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.267 4.436 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.741 2.961 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.879 4.702 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.428 4.149 -8.394 1.00 0.00 H new ATOM 1276 N LEU A 82 -3.203 5.831 -10.148 1.00 0.00 N ATOM 1277 CA LEU A 82 -4.118 5.509 -11.229 1.00 0.00 C ATOM 1278 C LEU A 82 -3.337 5.221 -12.506 1.00 0.00 C ATOM 1279 O LEU A 82 -3.678 4.312 -13.263 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.092 6.667 -11.464 1.00 0.00 C ATOM 1281 CG LEU A 82 -6.086 6.313 -12.586 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -6.914 5.074 -12.196 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -7.016 7.508 -12.825 1.00 0.00 C ATOM 0 H LEU A 82 -3.265 6.788 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.687 4.622 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.635 6.886 -10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.539 7.568 -11.730 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.535 6.086 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.612 4.836 -12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.247 4.228 -12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.470 5.281 -11.281 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.723 7.266 -13.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.562 7.733 -11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.425 8.376 -13.118 1.00 0.00 H new ATOM 1295 N ASP A 83 -2.298 6.016 -12.748 1.00 0.00 N ATOM 1296 CA ASP A 83 -1.488 5.850 -13.951 1.00 0.00 C ATOM 1297 C ASP A 83 -0.783 4.497 -13.960 1.00 0.00 C ATOM 1298 O ASP A 83 -0.855 3.758 -14.942 1.00 0.00 O ATOM 1299 CB ASP A 83 -0.443 6.962 -14.022 1.00 0.00 C ATOM 1300 CG ASP A 83 -1.116 8.297 -14.318 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -2.291 8.285 -14.647 1.00 0.00 O ATOM 1302 OD2 ASP A 83 -0.450 9.312 -14.206 1.00 0.00 O ATOM 0 H ASP A 83 -1.999 6.774 -12.134 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.150 5.901 -14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.100 7.021 -13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.288 6.735 -14.798 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.097 4.179 -12.865 1.00 0.00 N ATOM 1308 CA ARG A 84 0.624 2.917 -12.765 1.00 0.00 C ATOM 1309 C ARG A 84 -0.347 1.751 -12.671 1.00 0.00 C ATOM 1310 O ARG A 84 -0.137 0.696 -13.263 1.00 0.00 O ATOM 1311 CB ARG A 84 1.553 2.943 -11.544 1.00 0.00 C ATOM 1312 CG ARG A 84 0.722 2.893 -10.269 1.00 0.00 C ATOM 1313 CD ARG A 84 1.628 3.116 -9.059 1.00 0.00 C ATOM 1314 NE ARG A 84 0.869 2.939 -7.827 1.00 0.00 N ATOM 1315 CZ ARG A 84 1.354 3.344 -6.659 1.00 0.00 C ATOM 1316 NH1 ARG A 84 2.530 3.902 -6.599 1.00 0.00 N ATOM 1317 NH2 ARG A 84 0.654 3.180 -5.572 1.00 0.00 N ATOM 0 H ARG A 84 -0.026 4.775 -12.040 1.00 0.00 H new ATOM 0 HA ARG A 84 1.226 2.785 -13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.238 2.096 -11.577 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.163 3.846 -11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.056 3.656 -10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.220 1.929 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.462 2.415 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.053 4.119 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.050 2.497 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.079 4.028 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.902 4.213 -5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.265 2.741 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.026 3.491 -4.674 1.00 0.00 H new ATOM 1331 N LEU A 85 -1.410 1.949 -11.915 1.00 0.00 N ATOM 1332 CA LEU A 85 -2.404 0.907 -11.739 1.00 0.00 C ATOM 1333 C LEU A 85 -3.053 0.552 -13.066 1.00 0.00 C ATOM 1334 O LEU A 85 -3.315 -0.617 -13.344 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.469 1.371 -10.741 1.00 0.00 C ATOM 1336 CG LEU A 85 -4.588 0.299 -10.614 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -4.997 0.132 -9.144 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -5.825 0.722 -11.425 1.00 0.00 C ATOM 0 H LEU A 85 -1.607 2.816 -11.415 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.909 0.017 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.013 1.548 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.898 2.318 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.201 -0.645 -10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.781 -0.621 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.133 -0.184 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.368 1.082 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.601 -0.037 -11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.199 1.674 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.552 0.830 -12.475 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.321 1.566 -13.875 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.954 1.351 -15.170 1.00 0.00 C ATOM 1352 C ALA A 86 -2.925 0.932 -16.216 1.00 0.00 C ATOM 1353 O ALA A 86 -3.193 0.065 -17.044 1.00 0.00 O ATOM 1354 CB ALA A 86 -4.639 2.634 -15.629 1.00 0.00 C ATOM 0 H ALA A 86 -3.112 2.541 -13.661 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.690 0.554 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.111 2.468 -16.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.397 2.922 -14.901 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.899 3.430 -15.717 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.750 1.560 -16.175 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.694 1.246 -17.133 1.00 0.00 C ATOM 1362 C GLY A 87 0.208 0.138 -16.611 1.00 0.00 C ATOM 1363 O GLY A 87 0.059 -1.028 -16.980 1.00 0.00 O ATOM 0 H GLY A 87 -1.508 2.282 -15.496 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.138 0.942 -18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.101 2.139 -17.331 1.00 0.00 H new ATOM 1367 N ASP A 88 1.151 0.512 -15.749 1.00 0.00 N ATOM 1368 CA ASP A 88 2.094 -0.453 -15.175 1.00 0.00 C ATOM 1369 C ASP A 88 2.250 -0.229 -13.675 1.00 0.00 C ATOM 1370 O ASP A 88 3.009 0.637 -13.238 1.00 0.00 O ATOM 1371 CB ASP A 88 3.453 -0.305 -15.852 1.00 0.00 C ATOM 1372 CG ASP A 88 3.396 -0.859 -17.272 1.00 0.00 C ATOM 1373 OD1 ASP A 88 2.448 -1.562 -17.577 1.00 0.00 O ATOM 1374 OD2 ASP A 88 4.303 -0.570 -18.034 1.00 0.00 O ATOM 0 H ASP A 88 1.285 1.472 -15.432 1.00 0.00 H new ATOM 0 HA ASP A 88 1.704 -1.457 -15.340 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.744 0.745 -15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.213 -0.834 -15.277 1.00 0.00 H new ATOM 1379 N TYR A 89 1.516 -1.018 -12.902 1.00 0.00 N ATOM 1380 CA TYR A 89 1.556 -0.918 -11.450 1.00 0.00 C ATOM 1381 C TYR A 89 2.989 -1.064 -10.945 1.00 0.00 C ATOM 1382 O TYR A 89 3.775 -0.116 -10.992 1.00 0.00 O ATOM 1383 CB TYR A 89 0.633 -1.989 -10.818 1.00 0.00 C ATOM 1384 CG TYR A 89 0.532 -3.192 -11.730 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -0.285 -3.127 -12.865 1.00 0.00 C ATOM 1386 CD2 TYR A 89 1.259 -4.363 -11.462 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -0.376 -4.220 -13.729 1.00 0.00 C ATOM 1388 CE2 TYR A 89 1.169 -5.457 -12.331 1.00 0.00 C ATOM 1389 CZ TYR A 89 0.350 -5.385 -13.463 1.00 0.00 C ATOM 1390 OH TYR A 89 0.264 -6.460 -14.321 1.00 0.00 O ATOM 0 H TYR A 89 0.884 -1.736 -13.258 1.00 0.00 H new ATOM 0 HA TYR A 89 1.193 0.066 -11.153 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.025 -2.291 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.358 -1.570 -10.645 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.847 -2.228 -13.073 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.888 -4.420 -10.586 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.008 -4.166 -14.603 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.732 -6.356 -12.128 1.00 0.00 H new ATOM 0 HH TYR A 89 0.831 -7.188 -13.991 1.00 0.00 H new ATOM 1400 N VAL A 90 3.319 -2.252 -10.461 1.00 0.00 N ATOM 1401 CA VAL A 90 4.652 -2.530 -9.946 1.00 0.00 C ATOM 1402 C VAL A 90 5.042 -3.973 -10.227 1.00 0.00 C ATOM 1403 O VAL A 90 4.190 -4.813 -10.521 1.00 0.00 O ATOM 1404 CB VAL A 90 4.693 -2.266 -8.442 1.00 0.00 C ATOM 1405 CG1 VAL A 90 4.503 -0.772 -8.187 1.00 0.00 C ATOM 1406 CG2 VAL A 90 3.568 -3.043 -7.760 1.00 0.00 C ATOM 0 H VAL A 90 2.678 -3.044 -10.414 1.00 0.00 H new ATOM 0 HA VAL A 90 5.363 -1.873 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 90 5.654 -2.587 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.532 -0.579 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.301 -0.215 -8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.540 -0.454 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.595 -2.856 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.607 -2.719 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.697 -4.109 -7.946 1.00 0.00 H new ATOM 1416 N TYR A 91 6.340 -4.262 -10.133 1.00 0.00 N ATOM 1417 CA TYR A 91 6.844 -5.612 -10.373 1.00 0.00 C ATOM 1418 C TYR A 91 7.585 -6.114 -9.146 1.00 0.00 C ATOM 1419 O TYR A 91 8.287 -5.352 -8.476 1.00 0.00 O ATOM 1420 CB TYR A 91 7.792 -5.614 -11.568 1.00 0.00 C ATOM 1421 CG TYR A 91 7.070 -5.064 -12.779 1.00 0.00 C ATOM 1422 CD1 TYR A 91 5.953 -5.734 -13.295 1.00 0.00 C ATOM 1423 CD2 TYR A 91 7.515 -3.880 -13.383 1.00 0.00 C ATOM 1424 CE1 TYR A 91 5.284 -5.221 -14.411 1.00 0.00 C ATOM 1425 CE2 TYR A 91 6.847 -3.369 -14.498 1.00 0.00 C ATOM 1426 CZ TYR A 91 5.732 -4.038 -15.012 1.00 0.00 C ATOM 1427 OH TYR A 91 5.070 -3.534 -16.113 1.00 0.00 O ATOM 0 H TYR A 91 7.059 -3.580 -9.893 1.00 0.00 H new ATOM 0 HA TYR A 91 5.998 -6.267 -10.582 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.672 -5.010 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.142 -6.627 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.609 -6.646 -12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.375 -3.362 -12.986 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.423 -5.737 -14.809 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.192 -2.457 -14.963 1.00 0.00 H new ATOM 0 HH TYR A 91 5.507 -2.708 -16.408 1.00 0.00 H new ATOM 1437 N LEU A 92 7.423 -7.404 -8.854 1.00 0.00 N ATOM 1438 CA LEU A 92 8.080 -8.016 -7.699 1.00 0.00 C ATOM 1439 C LEU A 92 8.949 -9.183 -8.143 1.00 0.00 C ATOM 1440 O LEU A 92 8.481 -10.103 -8.813 1.00 0.00 O ATOM 1441 CB LEU A 92 7.026 -8.501 -6.703 1.00 0.00 C ATOM 1442 CG LEU A 92 7.681 -8.830 -5.346 1.00 0.00 C ATOM 1443 CD1 LEU A 92 6.606 -8.843 -4.253 1.00 0.00 C ATOM 1444 CD2 LEU A 92 8.407 -10.196 -5.394 1.00 0.00 C ATOM 0 H LEU A 92 6.845 -8.044 -9.399 1.00 0.00 H new ATOM 0 HA LEU A 92 8.714 -7.271 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.263 -7.735 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.524 -9.385 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 92 8.423 -8.064 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.066 -9.075 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.130 -7.864 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.857 -9.599 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.859 -10.402 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.690 -10.981 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.184 -10.168 -6.158 1.00 0.00 H new ATOM 1456 N PHE A 93 10.223 -9.137 -7.759 1.00 0.00 N ATOM 1457 CA PHE A 93 11.170 -10.195 -8.117 1.00 0.00 C ATOM 1458 C PHE A 93 11.892 -10.710 -6.876 1.00 0.00 C ATOM 1459 O PHE A 93 12.033 -9.996 -5.881 1.00 0.00 O ATOM 1460 CB PHE A 93 12.195 -9.657 -9.116 1.00 0.00 C ATOM 1461 CG PHE A 93 11.486 -9.229 -10.379 1.00 0.00 C ATOM 1462 CD1 PHE A 93 11.040 -10.194 -11.291 1.00 0.00 C ATOM 1463 CD2 PHE A 93 11.275 -7.868 -10.640 1.00 0.00 C ATOM 1464 CE1 PHE A 93 10.383 -9.798 -12.464 1.00 0.00 C ATOM 1465 CE2 PHE A 93 10.618 -7.474 -11.812 1.00 0.00 C ATOM 1466 CZ PHE A 93 10.174 -8.437 -12.723 1.00 0.00 C ATOM 0 H PHE A 93 10.624 -8.382 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 93 10.615 -11.017 -8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.733 -8.813 -8.684 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.935 -10.424 -9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.202 -11.243 -11.090 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.619 -7.124 -9.937 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.038 -10.541 -13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.454 -6.425 -12.012 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.669 -8.131 -13.628 1.00 0.00 H new ATOM 1476 N ASP A 94 12.349 -11.956 -6.943 1.00 0.00 N ATOM 1477 CA ASP A 94 13.057 -12.569 -5.825 1.00 0.00 C ATOM 1478 C ASP A 94 14.473 -12.014 -5.721 1.00 0.00 C ATOM 1479 O ASP A 94 14.889 -11.196 -6.541 1.00 0.00 O ATOM 1480 CB ASP A 94 13.111 -14.088 -6.009 1.00 0.00 C ATOM 1481 CG ASP A 94 13.798 -14.736 -4.812 1.00 0.00 C ATOM 1482 OD1 ASP A 94 13.523 -14.321 -3.698 1.00 0.00 O ATOM 1483 OD2 ASP A 94 14.597 -15.634 -5.026 1.00 0.00 O ATOM 0 H ASP A 94 12.242 -12.560 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 94 12.520 -12.336 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.102 -14.485 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.650 -14.332 -6.924 1.00 0.00 H new ATOM 1488 N GLU A 95 15.205 -12.459 -4.706 1.00 0.00 N ATOM 1489 CA GLU A 95 16.569 -11.992 -4.504 1.00 0.00 C ATOM 1490 C GLU A 95 17.349 -12.032 -5.816 1.00 0.00 C ATOM 1491 O GLU A 95 17.837 -11.005 -6.287 1.00 0.00 O ATOM 1492 CB GLU A 95 17.271 -12.872 -3.460 1.00 0.00 C ATOM 1493 CG GLU A 95 18.468 -12.125 -2.860 1.00 0.00 C ATOM 1494 CD GLU A 95 19.531 -11.904 -3.930 1.00 0.00 C ATOM 1495 OE1 GLU A 95 19.698 -12.783 -4.759 1.00 0.00 O ATOM 1496 OE2 GLU A 95 20.157 -10.858 -3.907 1.00 0.00 O ATOM 0 H GLU A 95 14.880 -13.136 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 95 16.534 -10.962 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.570 -13.144 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.606 -13.801 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.143 -11.167 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.887 -12.697 -2.032 1.00 0.00 H new ATOM 1503 N GLY A 96 17.464 -13.220 -6.397 1.00 0.00 N ATOM 1504 CA GLY A 96 18.191 -13.375 -7.651 1.00 0.00 C ATOM 1505 C GLY A 96 17.515 -12.598 -8.774 1.00 0.00 C ATOM 1506 O GLY A 96 18.173 -11.878 -9.526 1.00 0.00 O ATOM 0 H GLY A 96 17.067 -14.083 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.216 -13.025 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.245 -14.431 -7.916 1.00 0.00 H new ATOM 1510 N GLY A 97 16.197 -12.744 -8.880 1.00 0.00 N ATOM 1511 CA GLY A 97 15.436 -12.049 -9.916 1.00 0.00 C ATOM 1512 C GLY A 97 14.191 -12.842 -10.305 1.00 0.00 C ATOM 1513 O GLY A 97 13.296 -12.320 -10.968 1.00 0.00 O ATOM 0 H GLY A 97 15.636 -13.334 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.145 -11.061 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.064 -11.898 -10.794 1.00 0.00 H new ATOM 1517 N ASP A 98 14.141 -14.102 -9.885 1.00 0.00 N ATOM 1518 CA ASP A 98 12.998 -14.954 -10.196 1.00 0.00 C ATOM 1519 C ASP A 98 11.742 -14.435 -9.510 1.00 0.00 C ATOM 1520 O ASP A 98 11.794 -13.963 -8.374 1.00 0.00 O ATOM 1521 CB ASP A 98 13.278 -16.389 -9.739 1.00 0.00 C ATOM 1522 CG ASP A 98 14.295 -17.048 -10.666 1.00 0.00 C ATOM 1523 OD1 ASP A 98 14.496 -16.537 -11.755 1.00 0.00 O ATOM 1524 OD2 ASP A 98 14.862 -18.053 -10.271 1.00 0.00 O ATOM 0 H ASP A 98 14.871 -14.553 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 98 12.840 -14.941 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.656 -16.386 -8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.352 -16.964 -9.735 1.00 0.00 H new ATOM 1529 N GLU A 99 10.610 -14.520 -10.203 1.00 0.00 N ATOM 1530 CA GLU A 99 9.352 -14.048 -9.644 1.00 0.00 C ATOM 1531 C GLU A 99 8.812 -15.045 -8.624 1.00 0.00 C ATOM 1532 O GLU A 99 8.029 -15.933 -8.964 1.00 0.00 O ATOM 1533 CB GLU A 99 8.325 -13.862 -10.762 1.00 0.00 C ATOM 1534 CG GLU A 99 8.746 -12.691 -11.651 1.00 0.00 C ATOM 1535 CD GLU A 99 7.780 -12.554 -12.825 1.00 0.00 C ATOM 1536 OE1 GLU A 99 6.850 -13.341 -12.896 1.00 0.00 O ATOM 1537 OE2 GLU A 99 7.984 -11.664 -13.633 1.00 0.00 O ATOM 0 H GLU A 99 10.540 -14.908 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 99 9.531 -13.095 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.248 -14.773 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.339 -13.674 -10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.759 -11.769 -11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.759 -12.849 -12.020 1.00 0.00 H new ATOM 1544 N VAL A 100 9.228 -14.886 -7.370 1.00 0.00 N ATOM 1545 CA VAL A 100 8.774 -15.770 -6.301 1.00 0.00 C ATOM 1546 C VAL A 100 8.769 -15.034 -4.966 1.00 0.00 C ATOM 1547 O VAL A 100 9.698 -14.286 -4.657 1.00 0.00 O ATOM 1548 CB VAL A 100 9.687 -16.995 -6.211 1.00 0.00 C ATOM 1549 CG1 VAL A 100 9.250 -17.870 -5.036 1.00 0.00 C ATOM 1550 CG2 VAL A 100 9.587 -17.800 -7.511 1.00 0.00 C ATOM 0 H VAL A 100 9.875 -14.157 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 100 7.758 -16.094 -6.528 1.00 0.00 H new ATOM 0 HB VAL A 100 10.717 -16.672 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.900 -18.743 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 100 9.318 -17.297 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.220 -18.194 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.237 -18.673 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.557 -18.124 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.896 -17.176 -8.350 1.00 0.00 H new ATOM 1560 N ILE A 101 7.721 -15.243 -4.177 1.00 0.00 N ATOM 1561 CA ILE A 101 7.612 -14.587 -2.881 1.00 0.00 C ATOM 1562 C ILE A 101 8.727 -15.057 -1.959 1.00 0.00 C ATOM 1563 O ILE A 101 8.979 -16.256 -1.836 1.00 0.00 O ATOM 1564 CB ILE A 101 6.258 -14.910 -2.249 1.00 0.00 C ATOM 1565 CG1 ILE A 101 5.140 -14.340 -3.122 1.00 0.00 C ATOM 1566 CG2 ILE A 101 6.183 -14.290 -0.852 1.00 0.00 C ATOM 1567 CD1 ILE A 101 3.795 -14.905 -2.665 1.00 0.00 C ATOM 0 H ILE A 101 6.941 -15.857 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 101 7.698 -13.510 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 101 6.143 -15.991 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.131 -13.252 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.316 -14.593 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.217 -14.521 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.980 -14.698 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.299 -13.209 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.999 -14.498 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.807 -15.991 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.619 -14.629 -1.625 1.00 0.00 H new ATOM 1579 N ALA A 102 9.393 -14.106 -1.311 1.00 0.00 N ATOM 1580 CA ALA A 102 10.485 -14.438 -0.401 1.00 0.00 C ATOM 1581 C ALA A 102 10.625 -13.358 0.679 1.00 0.00 C ATOM 1582 O ALA A 102 10.152 -12.233 0.512 1.00 0.00 O ATOM 1583 CB ALA A 102 11.801 -14.574 -1.205 1.00 0.00 C ATOM 0 H ALA A 102 9.199 -13.108 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 102 10.268 -15.386 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.618 -14.822 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.693 -15.364 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.020 -13.632 -1.707 1.00 0.00 H new ATOM 1589 N PRO A 103 11.276 -13.683 1.765 1.00 0.00 N ATOM 1590 CA PRO A 103 11.502 -12.726 2.893 1.00 0.00 C ATOM 1591 C PRO A 103 12.321 -11.506 2.454 1.00 0.00 C ATOM 1592 O PRO A 103 12.250 -10.445 3.074 1.00 0.00 O ATOM 1593 CB PRO A 103 12.268 -13.562 3.944 1.00 0.00 C ATOM 1594 CG PRO A 103 12.842 -14.718 3.188 1.00 0.00 C ATOM 1595 CD PRO A 103 11.867 -15.002 2.052 1.00 0.00 C ATOM 0 HA PRO A 103 10.567 -12.317 3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.053 -12.973 4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.602 -13.902 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.833 -14.478 2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.954 -15.589 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.376 -15.412 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.108 -15.726 2.347 1.00 0.00 H new ATOM 1603 N ARG A 104 13.115 -11.676 1.396 1.00 0.00 N ATOM 1604 CA ARG A 104 13.967 -10.596 0.891 1.00 0.00 C ATOM 1605 C ARG A 104 13.704 -10.347 -0.587 1.00 0.00 C ATOM 1606 O ARG A 104 14.615 -10.421 -1.411 1.00 0.00 O ATOM 1607 CB ARG A 104 15.426 -10.984 1.081 1.00 0.00 C ATOM 1608 CG ARG A 104 15.724 -11.127 2.587 1.00 0.00 C ATOM 1609 CD ARG A 104 16.813 -12.172 2.808 1.00 0.00 C ATOM 1610 NE ARG A 104 18.082 -11.711 2.254 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.115 -12.536 2.126 1.00 0.00 C ATOM 1612 NH1 ARG A 104 19.005 -13.781 2.499 1.00 0.00 N ATOM 1613 NH2 ARG A 104 20.238 -12.102 1.619 1.00 0.00 N ATOM 0 H ARG A 104 13.187 -12.549 0.873 1.00 0.00 H new ATOM 0 HA ARG A 104 13.742 -9.684 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 104 15.635 -11.922 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.076 -10.228 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 104 16.041 -10.168 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.818 -11.416 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.925 -12.370 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.524 -13.112 2.338 1.00 0.00 H new ATOM 0 HE ARG A 104 18.177 -10.739 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 104 18.126 -14.121 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 104 19.798 -14.415 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 104 20.321 -11.130 1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 104 21.032 -12.735 1.521 1.00 0.00 H new ATOM 1627 N MET A 105 12.453 -10.052 -0.911 1.00 0.00 N ATOM 1628 CA MET A 105 12.059 -9.792 -2.294 1.00 0.00 C ATOM 1629 C MET A 105 11.899 -8.297 -2.517 1.00 0.00 C ATOM 1630 O MET A 105 11.451 -7.571 -1.631 1.00 0.00 O ATOM 1631 CB MET A 105 10.737 -10.520 -2.613 1.00 0.00 C ATOM 1632 CG MET A 105 9.530 -9.740 -2.054 1.00 0.00 C ATOM 1633 SD MET A 105 9.836 -9.304 -0.324 1.00 0.00 S ATOM 1634 CE MET A 105 8.265 -8.483 0.004 1.00 0.00 C ATOM 0 H MET A 105 11.691 -9.986 -0.236 1.00 0.00 H new ATOM 0 HA MET A 105 12.837 -10.167 -2.960 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.632 -10.636 -3.692 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.757 -11.522 -2.185 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.363 -8.838 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.626 -10.344 -2.133 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.960 -8.679 1.032 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.378 -7.409 -0.142 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.506 -8.864 -0.679 1.00 0.00 H new ATOM 1644 N TYR A 106 12.260 -7.839 -3.713 1.00 0.00 N ATOM 1645 CA TYR A 106 12.144 -6.424 -4.049 1.00 0.00 C ATOM 1646 C TYR A 106 10.853 -6.167 -4.820 1.00 0.00 C ATOM 1647 O TYR A 106 10.574 -6.826 -5.826 1.00 0.00 O ATOM 1648 CB TYR A 106 13.341 -5.990 -4.891 1.00 0.00 C ATOM 1649 CG TYR A 106 13.197 -4.530 -5.256 1.00 0.00 C ATOM 1650 CD1 TYR A 106 13.186 -3.552 -4.250 1.00 0.00 C ATOM 1651 CD2 TYR A 106 13.078 -4.152 -6.600 1.00 0.00 C ATOM 1652 CE1 TYR A 106 13.057 -2.202 -4.590 1.00 0.00 C ATOM 1653 CE2 TYR A 106 12.949 -2.801 -6.939 1.00 0.00 C ATOM 1654 CZ TYR A 106 12.941 -1.825 -5.933 1.00 0.00 C ATOM 1655 OH TYR A 106 12.813 -0.493 -6.265 1.00 0.00 O ATOM 0 H TYR A 106 12.633 -8.424 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 106 12.125 -5.846 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.266 -6.148 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.403 -6.597 -5.794 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.277 -3.842 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.086 -4.904 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 106 13.047 -1.449 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 106 12.856 -2.510 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 106 12.326 -0.412 -7.112 1.00 0.00 H new ATOM 1665 N CYS A 107 10.065 -5.202 -4.338 1.00 0.00 N ATOM 1666 CA CYS A 107 8.794 -4.848 -4.976 1.00 0.00 C ATOM 1667 C CYS A 107 8.754 -3.360 -5.296 1.00 0.00 C ATOM 1668 O CYS A 107 8.714 -2.518 -4.400 1.00 0.00 O ATOM 1669 CB CYS A 107 7.627 -5.206 -4.052 1.00 0.00 C ATOM 1670 SG CYS A 107 7.708 -4.200 -2.551 1.00 0.00 S ATOM 0 H CYS A 107 10.285 -4.652 -3.508 1.00 0.00 H new ATOM 0 HA CYS A 107 8.706 -5.411 -5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 107 6.680 -5.037 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.666 -6.264 -3.795 1.00 0.00 H new ATOM 0 HG CYS A 107 8.068 -2.989 -2.859 1.00 0.00 H new ATOM 1676 N SER A 108 8.766 -3.047 -6.585 1.00 0.00 N ATOM 1677 CA SER A 108 8.733 -1.653 -7.021 1.00 0.00 C ATOM 1678 C SER A 108 8.543 -1.563 -8.533 1.00 0.00 C ATOM 1679 O SER A 108 8.649 -2.562 -9.244 1.00 0.00 O ATOM 1680 CB SER A 108 10.030 -0.946 -6.625 1.00 0.00 C ATOM 1681 OG SER A 108 10.997 -1.140 -7.647 1.00 0.00 O ATOM 0 H SER A 108 8.798 -3.730 -7.342 1.00 0.00 H new ATOM 0 HA SER A 108 7.890 -1.164 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.848 0.118 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.399 -1.341 -5.678 1.00 0.00 H new ATOM 0 HG SER A 108 11.546 -1.923 -7.433 1.00 0.00 H new ATOM 1687 N PHE A 109 8.266 -0.355 -9.018 1.00 0.00 N ATOM 1688 CA PHE A 109 8.074 -0.139 -10.449 1.00 0.00 C ATOM 1689 C PHE A 109 9.354 -0.444 -11.220 1.00 0.00 C ATOM 1690 O PHE A 109 9.324 -1.136 -12.238 1.00 0.00 O ATOM 1691 CB PHE A 109 7.648 1.306 -10.707 1.00 0.00 C ATOM 1692 CG PHE A 109 8.770 2.236 -10.321 1.00 0.00 C ATOM 1693 CD1 PHE A 109 8.929 2.621 -8.985 1.00 0.00 C ATOM 1694 CD2 PHE A 109 9.652 2.712 -11.295 1.00 0.00 C ATOM 1695 CE1 PHE A 109 9.970 3.481 -8.625 1.00 0.00 C ATOM 1696 CE2 PHE A 109 10.695 3.574 -10.935 1.00 0.00 C ATOM 1697 CZ PHE A 109 10.853 3.959 -9.600 1.00 0.00 C ATOM 0 H PHE A 109 8.170 0.484 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 109 7.292 -0.814 -10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.396 1.440 -11.759 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.752 1.541 -10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.247 2.254 -8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.529 2.415 -12.326 1.00 0.00 H new ATOM 0 HE1 PHE A 109 10.093 3.777 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.377 3.941 -11.688 1.00 0.00 H new ATOM 0 HZ PHE A 109 11.656 4.625 -9.321 1.00 0.00 H new ATOM 1707 N SER A 110 10.471 0.080 -10.731 1.00 0.00 N ATOM 1708 CA SER A 110 11.753 -0.139 -11.387 1.00 0.00 C ATOM 1709 C SER A 110 12.065 -1.628 -11.454 1.00 0.00 C ATOM 1710 O SER A 110 11.737 -2.385 -10.540 1.00 0.00 O ATOM 1711 CB SER A 110 12.860 0.587 -10.623 1.00 0.00 C ATOM 1712 OG SER A 110 12.793 1.977 -10.913 1.00 0.00 O ATOM 0 H SER A 110 10.515 0.655 -9.890 1.00 0.00 H new ATOM 0 HA SER A 110 11.698 0.256 -12.402 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.748 0.421 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.835 0.190 -10.907 1.00 0.00 H new ATOM 0 HG SER A 110 12.033 2.374 -10.439 1.00 0.00 H new ATOM 1718 N ALA A 111 12.695 -2.040 -12.547 1.00 0.00 N ATOM 1719 CA ALA A 111 13.043 -3.445 -12.734 1.00 0.00 C ATOM 1720 C ALA A 111 14.284 -3.808 -11.906 1.00 0.00 C ATOM 1721 O ALA A 111 14.944 -2.934 -11.349 1.00 0.00 O ATOM 1722 CB ALA A 111 13.280 -3.733 -14.236 1.00 0.00 C ATOM 0 H ALA A 111 12.974 -1.427 -13.313 1.00 0.00 H new ATOM 0 HA ALA A 111 12.215 -4.063 -12.387 1.00 0.00 H new ATOM 0 HB1 ALA A 111 13.539 -4.783 -14.369 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.372 -3.510 -14.797 1.00 0.00 H new ATOM 0 HB3 ALA A 111 14.095 -3.109 -14.602 1.00 0.00 H new ATOM 1728 N PRO A 112 14.605 -5.075 -11.824 1.00 0.00 N ATOM 1729 CA PRO A 112 15.793 -5.551 -11.054 1.00 0.00 C ATOM 1730 C PRO A 112 17.065 -4.791 -11.440 1.00 0.00 C ATOM 1731 O PRO A 112 17.865 -4.423 -10.580 1.00 0.00 O ATOM 1732 CB PRO A 112 15.909 -7.037 -11.448 1.00 0.00 C ATOM 1733 CG PRO A 112 14.527 -7.444 -11.856 1.00 0.00 C ATOM 1734 CD PRO A 112 13.874 -6.192 -12.449 1.00 0.00 C ATOM 0 HA PRO A 112 15.677 -5.395 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.617 -7.174 -12.265 1.00 0.00 H new ATOM 0 HB3 PRO A 112 16.266 -7.639 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.558 -8.251 -12.588 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.960 -7.811 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.966 -6.171 -13.535 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.809 -6.150 -12.218 1.00 0.00 H new ATOM 1742 N ASP A 113 17.246 -4.556 -12.741 1.00 0.00 N ATOM 1743 CA ASP A 113 18.423 -3.840 -13.229 1.00 0.00 C ATOM 1744 C ASP A 113 18.177 -2.338 -13.240 1.00 0.00 C ATOM 1745 O ASP A 113 19.089 -1.542 -13.005 1.00 0.00 O ATOM 1746 CB ASP A 113 18.782 -4.320 -14.637 1.00 0.00 C ATOM 1747 CG ASP A 113 17.596 -4.135 -15.578 1.00 0.00 C ATOM 1748 OD1 ASP A 113 16.543 -3.745 -15.103 1.00 0.00 O ATOM 1749 OD2 ASP A 113 17.757 -4.389 -16.761 1.00 0.00 O ATOM 0 H ASP A 113 16.596 -4.849 -13.471 1.00 0.00 H new ATOM 0 HA ASP A 113 19.254 -4.048 -12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.641 -3.763 -15.010 1.00 0.00 H new ATOM 0 HB3 ASP A 113 19.071 -5.371 -14.608 1.00 0.00 H new ATOM 1754 N ASP A 114 16.944 -1.965 -13.520 1.00 0.00 N ATOM 1755 CA ASP A 114 16.569 -0.556 -13.566 1.00 0.00 C ATOM 1756 C ASP A 114 17.513 0.222 -14.475 1.00 0.00 C ATOM 1757 O ASP A 114 17.291 0.214 -15.674 1.00 0.00 O ATOM 1758 CB ASP A 114 16.607 0.037 -12.157 1.00 0.00 C ATOM 1759 CG ASP A 114 16.125 1.483 -12.185 1.00 0.00 C ATOM 1760 OD1 ASP A 114 15.914 1.996 -13.272 1.00 0.00 O ATOM 1761 OD2 ASP A 114 15.970 2.056 -11.120 1.00 0.00 O ATOM 0 H ASP A 114 16.182 -2.613 -13.720 1.00 0.00 H new ATOM 0 HA ASP A 114 15.558 -0.480 -13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 114 15.978 -0.551 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.622 -0.009 -11.762 1.00 0.00 H new TER 1766 ASP A 114