USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN : amide:sc= -0.014 K(o=0.7,f=-1.1) USER MOD Set 1.2: B 110 TYR OH : rot -84:sc= 0.709 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.256) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0818 K(o=-0.082,f=-0.65) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.317 K(o=0.32,f=-2.5!) USER MOD Single : A 22 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.77) USER MOD Single : A 24 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.042) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.96) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.051) USER MOD Single : B 88 SER OG : rot 180:sc= 0.0311 USER MOD Single : B 100 GLN : amide:sc= 0.652 K(o=0.65,f=0) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -0.784 K(o=-0.78,f=-2.3) USER MOD Single : B 111 LYS NZ :NH3+ 164:sc= -0.0666 (180deg=-0.328) USER MOD Single : B 112 LYS NZ :NH3+ 167:sc= 1.26 (180deg=0.961) USER MOD Single : B 115 GLN : amide:sc= -0.167 K(o=-0.17,f=-3.8!) USER MOD Single : B 123 LYS NZ :NH3+ -122:sc= 1.25 (180deg=-2.79!) USER MOD Single : B 130 SER OG : rot 180:sc= 0 USER MOD Single : B 133 THR OG1 : rot 71:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.734 -1.376 8.195 1.00 0.00 N ATOM 2 CA MET A 1 31.660 -2.466 7.800 1.00 0.00 C ATOM 3 C MET A 1 32.306 -2.166 6.452 1.00 0.00 C ATOM 4 O MET A 1 33.459 -2.526 6.212 1.00 0.00 O ATOM 5 CB MET A 1 30.920 -3.803 7.736 1.00 0.00 C ATOM 6 CG MET A 1 30.394 -4.275 9.082 1.00 0.00 C ATOM 7 SD MET A 1 31.702 -4.475 10.307 1.00 0.00 S ATOM 8 CE MET A 1 30.757 -5.038 11.720 1.00 0.00 C ATOM 0 H1 MET A 1 30.463 -1.495 9.192 1.00 0.00 H new ATOM 0 H2 MET A 1 31.206 -0.458 8.071 1.00 0.00 H new ATOM 0 H3 MET A 1 29.883 -1.411 7.599 1.00 0.00 H new ATOM 0 HA MET A 1 32.443 -2.532 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.085 -3.713 7.041 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.591 -4.561 7.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.661 -3.559 9.453 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.875 -5.225 8.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.428 -5.207 12.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.019 -4.282 11.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.248 -5.969 11.470 1.00 0.00 H new ATOM 20 N ASP A 2 31.563 -1.502 5.577 1.00 0.00 N ATOM 21 CA ASP A 2 32.072 -1.131 4.262 1.00 0.00 C ATOM 22 C ASP A 2 32.931 0.125 4.378 1.00 0.00 C ATOM 23 O ASP A 2 32.670 0.989 5.216 1.00 0.00 O ATOM 24 CB ASP A 2 30.905 -0.886 3.303 1.00 0.00 C ATOM 25 CG ASP A 2 31.334 -0.845 1.850 1.00 0.00 C ATOM 26 OD1 ASP A 2 31.124 -1.846 1.137 1.00 0.00 O ATOM 27 OD2 ASP A 2 31.882 0.183 1.410 1.00 0.00 O ATOM 0 H ASP A 2 30.602 -1.208 5.754 1.00 0.00 H new ATOM 0 HA ASP A 2 32.684 -1.944 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.162 -1.672 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.421 0.056 3.561 1.00 0.00 H new ATOM 32 N SER A 3 33.963 0.211 3.553 1.00 0.00 N ATOM 33 CA SER A 3 34.900 1.323 3.610 1.00 0.00 C ATOM 34 C SER A 3 34.369 2.525 2.827 1.00 0.00 C ATOM 35 O SER A 3 34.738 3.670 3.103 1.00 0.00 O ATOM 36 CB SER A 3 36.265 0.885 3.063 1.00 0.00 C ATOM 37 OG SER A 3 37.254 1.882 3.275 1.00 0.00 O ATOM 0 H SER A 3 34.174 -0.480 2.832 1.00 0.00 H new ATOM 0 HA SER A 3 35.016 1.625 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.572 -0.042 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.181 0.675 1.997 1.00 0.00 H new ATOM 0 HG SER A 3 38.112 1.573 2.917 1.00 0.00 H new ATOM 43 N ALA A 4 33.498 2.265 1.864 1.00 0.00 N ATOM 44 CA ALA A 4 32.916 3.322 1.053 1.00 0.00 C ATOM 45 C ALA A 4 31.537 3.683 1.576 1.00 0.00 C ATOM 46 O ALA A 4 31.230 4.856 1.799 1.00 0.00 O ATOM 47 CB ALA A 4 32.839 2.894 -0.405 1.00 0.00 C ATOM 0 H ALA A 4 33.178 1.327 1.625 1.00 0.00 H new ATOM 0 HA ALA A 4 33.555 4.203 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 4 32.401 3.697 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 4 33.841 2.676 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 4 32.219 2.001 -0.490 1.00 0.00 H new ATOM 53 N ILE A 5 30.708 2.668 1.774 1.00 0.00 N ATOM 54 CA ILE A 5 29.392 2.863 2.355 1.00 0.00 C ATOM 55 C ILE A 5 29.530 3.106 3.849 1.00 0.00 C ATOM 56 O ILE A 5 29.704 2.168 4.628 1.00 0.00 O ATOM 57 CB ILE A 5 28.480 1.639 2.120 1.00 0.00 C ATOM 58 CG1 ILE A 5 28.411 1.311 0.628 1.00 0.00 C ATOM 59 CG2 ILE A 5 27.087 1.899 2.678 1.00 0.00 C ATOM 60 CD1 ILE A 5 27.631 0.053 0.317 1.00 0.00 C ATOM 0 H ILE A 5 30.926 1.700 1.539 1.00 0.00 H new ATOM 0 HA ILE A 5 28.934 3.726 1.871 1.00 0.00 H new ATOM 0 HB ILE A 5 28.903 0.782 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 5 27.956 2.150 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 5 29.425 1.204 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.457 1.027 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.154 2.091 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.652 2.766 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 5 27.626 -0.115 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 5 28.098 -0.797 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.606 0.163 0.672 1.00 0.00 H new ATOM 72 N SER A 6 29.470 4.363 4.242 1.00 0.00 N ATOM 73 CA SER A 6 29.660 4.728 5.628 1.00 0.00 C ATOM 74 C SER A 6 28.309 4.885 6.317 1.00 0.00 C ATOM 75 O SER A 6 27.268 4.562 5.735 1.00 0.00 O ATOM 76 CB SER A 6 30.471 6.030 5.708 1.00 0.00 C ATOM 77 OG SER A 6 30.822 6.346 7.043 1.00 0.00 O ATOM 0 H SER A 6 29.291 5.149 3.618 1.00 0.00 H new ATOM 0 HA SER A 6 30.212 3.940 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.375 5.933 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.890 6.848 5.281 1.00 0.00 H new ATOM 0 HG SER A 6 31.338 7.179 7.057 1.00 0.00 H new ATOM 83 N LYS A 7 28.329 5.380 7.546 1.00 0.00 N ATOM 84 CA LYS A 7 27.110 5.667 8.282 1.00 0.00 C ATOM 85 C LYS A 7 26.237 6.619 7.474 1.00 0.00 C ATOM 86 O LYS A 7 25.012 6.549 7.518 1.00 0.00 O ATOM 87 CB LYS A 7 27.459 6.296 9.631 1.00 0.00 C ATOM 88 CG LYS A 7 26.263 6.493 10.540 1.00 0.00 C ATOM 89 CD LYS A 7 26.623 7.295 11.781 1.00 0.00 C ATOM 90 CE LYS A 7 27.706 6.613 12.601 1.00 0.00 C ATOM 91 NZ LYS A 7 28.045 7.387 13.824 1.00 0.00 N ATOM 0 H LYS A 7 29.186 5.592 8.057 1.00 0.00 H new ATOM 0 HA LYS A 7 26.563 4.740 8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 7 28.189 5.665 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 7 27.936 7.261 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.471 7.005 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.868 5.521 10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 26.962 8.288 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 7 25.733 7.431 12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 7 27.373 5.615 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 7 28.600 6.489 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 28.787 6.889 14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 28.387 8.331 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 27.198 7.483 14.420 1.00 0.00 H new ATOM 105 N GLU A 8 26.902 7.485 6.719 1.00 0.00 N ATOM 106 CA GLU A 8 26.246 8.469 5.870 1.00 0.00 C ATOM 107 C GLU A 8 25.207 7.821 4.956 1.00 0.00 C ATOM 108 O GLU A 8 24.013 8.096 5.070 1.00 0.00 O ATOM 109 CB GLU A 8 27.301 9.187 5.029 1.00 0.00 C ATOM 110 CG GLU A 8 28.408 9.818 5.860 1.00 0.00 C ATOM 111 CD GLU A 8 27.880 10.790 6.896 1.00 0.00 C ATOM 112 OE1 GLU A 8 27.550 11.937 6.530 1.00 0.00 O ATOM 113 OE2 GLU A 8 27.795 10.414 8.084 1.00 0.00 O ATOM 0 H GLU A 8 27.920 7.523 6.679 1.00 0.00 H new ATOM 0 HA GLU A 8 25.725 9.182 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.742 8.477 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.816 9.962 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.974 9.032 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 8 29.101 10.339 5.199 1.00 0.00 H new ATOM 120 N ASP A 9 25.667 6.945 4.067 1.00 0.00 N ATOM 121 CA ASP A 9 24.781 6.281 3.108 1.00 0.00 C ATOM 122 C ASP A 9 23.733 5.440 3.826 1.00 0.00 C ATOM 123 O ASP A 9 22.591 5.328 3.375 1.00 0.00 O ATOM 124 CB ASP A 9 25.593 5.400 2.153 1.00 0.00 C ATOM 125 CG ASP A 9 24.731 4.712 1.112 1.00 0.00 C ATOM 126 OD1 ASP A 9 24.223 5.406 0.203 1.00 0.00 O ATOM 127 OD2 ASP A 9 24.567 3.474 1.183 1.00 0.00 O ATOM 0 H ASP A 9 26.648 6.677 3.989 1.00 0.00 H new ATOM 0 HA ASP A 9 24.269 7.052 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.343 6.011 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.130 4.646 2.729 1.00 0.00 H new ATOM 132 N GLU A 10 24.124 4.877 4.959 1.00 0.00 N ATOM 133 CA GLU A 10 23.242 4.025 5.741 1.00 0.00 C ATOM 134 C GLU A 10 22.080 4.825 6.316 1.00 0.00 C ATOM 135 O GLU A 10 20.921 4.530 6.033 1.00 0.00 O ATOM 136 CB GLU A 10 24.024 3.340 6.864 1.00 0.00 C ATOM 137 CG GLU A 10 23.152 2.507 7.786 1.00 0.00 C ATOM 138 CD GLU A 10 23.952 1.744 8.821 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.495 0.672 8.488 1.00 0.00 O ATOM 140 OE2 GLU A 10 24.026 2.205 9.978 1.00 0.00 O ATOM 0 H GLU A 10 25.054 4.996 5.360 1.00 0.00 H new ATOM 0 HA GLU A 10 22.833 3.261 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.790 2.701 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.540 4.099 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.440 3.159 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.571 1.802 7.191 1.00 0.00 H new ATOM 147 N GLU A 11 22.403 5.832 7.120 1.00 0.00 N ATOM 148 CA GLU A 11 21.402 6.700 7.726 1.00 0.00 C ATOM 149 C GLU A 11 20.433 7.254 6.689 1.00 0.00 C ATOM 150 O GLU A 11 19.223 7.274 6.915 1.00 0.00 O ATOM 151 CB GLU A 11 22.086 7.850 8.459 1.00 0.00 C ATOM 152 CG GLU A 11 22.817 7.405 9.709 1.00 0.00 C ATOM 153 CD GLU A 11 21.867 6.933 10.786 1.00 0.00 C ATOM 154 OE1 GLU A 11 21.610 5.715 10.870 1.00 0.00 O ATOM 155 OE2 GLU A 11 21.361 7.780 11.547 1.00 0.00 O ATOM 0 H GLU A 11 23.363 6.069 7.369 1.00 0.00 H new ATOM 0 HA GLU A 11 20.829 6.101 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.793 8.334 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.339 8.597 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.508 6.600 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.416 8.231 10.092 1.00 0.00 H new ATOM 162 N ARG A 12 20.969 7.680 5.551 1.00 0.00 N ATOM 163 CA ARG A 12 20.143 8.250 4.488 1.00 0.00 C ATOM 164 C ARG A 12 19.141 7.221 3.980 1.00 0.00 C ATOM 165 O ARG A 12 17.989 7.550 3.697 1.00 0.00 O ATOM 166 CB ARG A 12 21.011 8.749 3.332 1.00 0.00 C ATOM 167 CG ARG A 12 21.978 9.852 3.727 1.00 0.00 C ATOM 168 CD ARG A 12 22.853 10.262 2.557 1.00 0.00 C ATOM 169 NE ARG A 12 23.941 11.148 2.967 1.00 0.00 N ATOM 170 CZ ARG A 12 24.956 11.496 2.176 1.00 0.00 C ATOM 171 NH1 ARG A 12 25.004 11.071 0.919 1.00 0.00 N ATOM 172 NH2 ARG A 12 25.920 12.277 2.647 1.00 0.00 N ATOM 0 H ARG A 12 21.966 7.643 5.339 1.00 0.00 H new ATOM 0 HA ARG A 12 19.598 9.098 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.576 7.910 2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.364 9.114 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.420 10.716 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 12 22.605 9.511 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 23.269 9.371 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 12 22.242 10.763 1.806 1.00 0.00 H new ATOM 0 HE ARG A 12 23.922 11.523 3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 12 24.262 10.475 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 12 25.783 11.341 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 25.882 12.609 3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 12 26.698 12.546 2.045 1.00 0.00 H new ATOM 186 N TYR A 13 19.581 5.972 3.890 1.00 0.00 N ATOM 187 CA TYR A 13 18.722 4.894 3.433 1.00 0.00 C ATOM 188 C TYR A 13 17.722 4.499 4.519 1.00 0.00 C ATOM 189 O TYR A 13 16.527 4.395 4.259 1.00 0.00 O ATOM 190 CB TYR A 13 19.568 3.686 3.023 1.00 0.00 C ATOM 191 CG TYR A 13 18.761 2.429 2.807 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.041 1.274 3.525 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.709 2.405 1.904 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.294 0.127 3.346 1.00 0.00 C ATOM 195 CE2 TYR A 13 16.957 1.264 1.719 1.00 0.00 C ATOM 196 CZ TYR A 13 17.252 0.127 2.444 1.00 0.00 C ATOM 197 OH TYR A 13 16.502 -1.014 2.266 1.00 0.00 O ATOM 0 H TYR A 13 20.530 5.683 4.129 1.00 0.00 H new ATOM 0 HA TYR A 13 18.161 5.243 2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.106 3.924 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.317 3.499 3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.855 1.273 4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.475 3.294 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.525 -0.765 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.142 1.260 1.011 1.00 0.00 H new ATOM 0 HH TYR A 13 15.587 -0.768 2.014 1.00 0.00 H new ATOM 207 N GLN A 14 18.221 4.293 5.732 1.00 0.00 N ATOM 208 CA GLN A 14 17.389 3.871 6.860 1.00 0.00 C ATOM 209 C GLN A 14 16.212 4.809 7.063 1.00 0.00 C ATOM 210 O GLN A 14 15.059 4.384 7.113 1.00 0.00 O ATOM 211 CB GLN A 14 18.220 3.840 8.137 1.00 0.00 C ATOM 212 CG GLN A 14 19.349 2.829 8.111 1.00 0.00 C ATOM 213 CD GLN A 14 18.859 1.402 7.966 1.00 0.00 C ATOM 214 OE1 GLN A 14 17.769 1.056 8.420 1.00 0.00 O ATOM 215 NE2 GLN A 14 19.660 0.565 7.327 1.00 0.00 N ATOM 0 H GLN A 14 19.207 4.412 5.964 1.00 0.00 H new ATOM 0 HA GLN A 14 17.008 2.875 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.637 4.832 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.565 3.617 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 14 20.021 3.063 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.930 2.917 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.556 0.892 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.381 -0.407 7.196 1.00 0.00 H new ATOM 224 N LYS A 15 16.518 6.085 7.200 1.00 0.00 N ATOM 225 CA LYS A 15 15.493 7.104 7.355 1.00 0.00 C ATOM 226 C LYS A 15 14.521 7.095 6.178 1.00 0.00 C ATOM 227 O LYS A 15 13.329 7.331 6.348 1.00 0.00 O ATOM 228 CB LYS A 15 16.129 8.487 7.498 1.00 0.00 C ATOM 229 CG LYS A 15 16.976 8.649 8.754 1.00 0.00 C ATOM 230 CD LYS A 15 16.160 8.460 10.024 1.00 0.00 C ATOM 231 CE LYS A 15 15.043 9.481 10.124 1.00 0.00 C ATOM 232 NZ LYS A 15 14.226 9.301 11.350 1.00 0.00 N ATOM 0 H LYS A 15 17.473 6.444 7.207 1.00 0.00 H new ATOM 0 HA LYS A 15 14.933 6.875 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.751 8.682 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.341 9.240 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.791 7.926 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.429 9.640 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.738 7.455 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.812 8.546 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.469 10.484 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.401 9.401 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.475 10.020 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.797 8.353 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.832 9.403 12.189 1.00 0.00 H new ATOM 246 N LEU A 16 15.034 6.789 4.998 1.00 0.00 N ATOM 247 CA LEU A 16 14.230 6.790 3.783 1.00 0.00 C ATOM 248 C LEU A 16 13.182 5.682 3.816 1.00 0.00 C ATOM 249 O LEU A 16 12.014 5.905 3.489 1.00 0.00 O ATOM 250 CB LEU A 16 15.142 6.628 2.570 1.00 0.00 C ATOM 251 CG LEU A 16 14.501 6.900 1.212 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.690 8.183 1.258 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.580 6.979 0.151 1.00 0.00 C ATOM 0 H LEU A 16 16.011 6.535 4.853 1.00 0.00 H new ATOM 0 HA LEU A 16 13.702 7.741 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.994 7.298 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.534 5.611 2.568 1.00 0.00 H new ATOM 0 HG LEU A 16 13.822 6.084 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.239 8.364 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.905 8.091 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.343 9.017 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.123 7.173 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.271 7.786 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.123 6.035 0.114 1.00 0.00 H new ATOM 265 N VAL A 17 13.603 4.489 4.215 1.00 0.00 N ATOM 266 CA VAL A 17 12.683 3.360 4.340 1.00 0.00 C ATOM 267 C VAL A 17 11.645 3.660 5.408 1.00 0.00 C ATOM 268 O VAL A 17 10.480 3.288 5.281 1.00 0.00 O ATOM 269 CB VAL A 17 13.421 2.041 4.679 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.749 2.002 3.965 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.610 1.852 6.179 1.00 0.00 C ATOM 0 H VAL A 17 14.571 4.276 4.457 1.00 0.00 H new ATOM 0 HA VAL A 17 12.195 3.223 3.375 1.00 0.00 H new ATOM 0 HB VAL A 17 12.799 1.215 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.265 1.073 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.585 2.057 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.358 2.848 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.132 0.913 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.197 2.679 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.636 1.828 6.668 1.00 0.00 H new ATOM 281 N THR A 18 12.080 4.363 6.447 1.00 0.00 N ATOM 282 CA THR A 18 11.197 4.777 7.515 1.00 0.00 C ATOM 283 C THR A 18 10.091 5.661 6.956 1.00 0.00 C ATOM 284 O THR A 18 8.922 5.479 7.281 1.00 0.00 O ATOM 285 CB THR A 18 11.994 5.503 8.630 1.00 0.00 C ATOM 286 OG1 THR A 18 11.932 4.753 9.852 1.00 0.00 O ATOM 287 CG2 THR A 18 11.485 6.917 8.868 1.00 0.00 C ATOM 0 H THR A 18 13.049 4.657 6.567 1.00 0.00 H new ATOM 0 HA THR A 18 10.737 3.896 7.962 1.00 0.00 H new ATOM 0 HB THR A 18 13.029 5.574 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.440 5.220 10.548 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.072 7.387 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.580 7.497 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.438 6.881 9.168 1.00 0.00 H new ATOM 295 N GLU A 19 10.471 6.585 6.081 1.00 0.00 N ATOM 296 CA GLU A 19 9.522 7.468 5.430 1.00 0.00 C ATOM 297 C GLU A 19 8.503 6.656 4.654 1.00 0.00 C ATOM 298 O GLU A 19 7.303 6.901 4.743 1.00 0.00 O ATOM 299 CB GLU A 19 10.269 8.417 4.501 1.00 0.00 C ATOM 300 CG GLU A 19 11.257 9.304 5.243 1.00 0.00 C ATOM 301 CD GLU A 19 10.576 10.372 6.070 1.00 0.00 C ATOM 302 OE1 GLU A 19 10.694 10.335 7.312 1.00 0.00 O ATOM 303 OE2 GLU A 19 9.916 11.256 5.479 1.00 0.00 O ATOM 0 H GLU A 19 11.441 6.739 5.807 1.00 0.00 H new ATOM 0 HA GLU A 19 8.993 8.052 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.802 7.837 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.550 9.043 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.876 8.686 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.925 9.778 4.524 1.00 0.00 H new ATOM 310 N ASN A 20 9.002 5.660 3.930 1.00 0.00 N ATOM 311 CA ASN A 20 8.161 4.771 3.137 1.00 0.00 C ATOM 312 C ASN A 20 7.132 4.055 4.004 1.00 0.00 C ATOM 313 O ASN A 20 5.953 4.002 3.658 1.00 0.00 O ATOM 314 CB ASN A 20 9.018 3.737 2.404 1.00 0.00 C ATOM 315 CG ASN A 20 9.531 4.221 1.065 1.00 0.00 C ATOM 316 OD1 ASN A 20 9.665 3.441 0.125 1.00 0.00 O ATOM 317 ND2 ASN A 20 9.849 5.501 0.974 1.00 0.00 N ATOM 0 H ASN A 20 9.998 5.447 3.876 1.00 0.00 H new ATOM 0 HA ASN A 20 7.631 5.386 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.866 3.467 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.431 2.831 2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.221 5.873 0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.723 6.116 1.778 1.00 0.00 H new ATOM 324 N GLU A 21 7.581 3.499 5.123 1.00 0.00 N ATOM 325 CA GLU A 21 6.703 2.758 6.017 1.00 0.00 C ATOM 326 C GLU A 21 5.568 3.625 6.551 1.00 0.00 C ATOM 327 O GLU A 21 4.421 3.175 6.623 1.00 0.00 O ATOM 328 CB GLU A 21 7.522 2.206 7.168 1.00 0.00 C ATOM 329 CG GLU A 21 8.655 1.334 6.685 1.00 0.00 C ATOM 330 CD GLU A 21 8.188 -0.023 6.211 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.989 -0.921 7.057 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.029 -0.206 4.990 1.00 0.00 O ATOM 0 H GLU A 21 8.552 3.548 5.433 1.00 0.00 H new ATOM 0 HA GLU A 21 6.248 1.944 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.924 3.031 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.876 1.629 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.175 1.839 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.377 1.204 7.492 1.00 0.00 H new ATOM 339 N GLN A 22 5.890 4.865 6.909 1.00 0.00 N ATOM 340 CA GLN A 22 4.914 5.774 7.504 1.00 0.00 C ATOM 341 C GLN A 22 3.713 5.965 6.592 1.00 0.00 C ATOM 342 O GLN A 22 2.592 5.563 6.908 1.00 0.00 O ATOM 343 CB GLN A 22 5.517 7.161 7.752 1.00 0.00 C ATOM 344 CG GLN A 22 6.892 7.167 8.402 1.00 0.00 C ATOM 345 CD GLN A 22 7.399 8.576 8.640 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.622 9.497 8.889 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.698 8.759 8.532 1.00 0.00 N ATOM 0 H GLN A 22 6.822 5.264 6.797 1.00 0.00 H new ATOM 0 HA GLN A 22 4.611 5.319 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.582 7.686 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.833 7.729 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.847 6.632 9.351 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.596 6.630 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.309 7.969 8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.094 9.691 8.656 1.00 0.00 H new ATOM 356 N LEU A 23 3.971 6.562 5.441 1.00 0.00 N ATOM 357 CA LEU A 23 2.909 7.105 4.619 1.00 0.00 C ATOM 358 C LEU A 23 2.200 6.041 3.782 1.00 0.00 C ATOM 359 O LEU A 23 1.054 6.238 3.390 1.00 0.00 O ATOM 360 CB LEU A 23 3.441 8.265 3.762 1.00 0.00 C ATOM 361 CG LEU A 23 4.153 7.917 2.456 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.714 9.178 1.831 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.265 6.905 2.652 1.00 0.00 C ATOM 0 H LEU A 23 4.908 6.682 5.056 1.00 0.00 H new ATOM 0 HA LEU A 23 2.144 7.499 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.601 8.917 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.130 8.846 4.375 1.00 0.00 H new ATOM 0 HG LEU A 23 3.415 7.463 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.222 8.928 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.901 9.875 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.423 9.640 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.738 6.693 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.007 7.309 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.851 5.984 3.063 1.00 0.00 H new ATOM 375 N GLN A 24 2.847 4.902 3.536 1.00 0.00 N ATOM 376 CA GLN A 24 2.185 3.820 2.808 1.00 0.00 C ATOM 377 C GLN A 24 1.053 3.256 3.657 1.00 0.00 C ATOM 378 O GLN A 24 0.042 2.775 3.140 1.00 0.00 O ATOM 379 CB GLN A 24 3.167 2.705 2.424 1.00 0.00 C ATOM 380 CG GLN A 24 3.702 1.908 3.604 1.00 0.00 C ATOM 381 CD GLN A 24 4.584 0.753 3.173 1.00 0.00 C ATOM 382 OE1 GLN A 24 4.107 -0.359 2.958 1.00 0.00 O ATOM 383 NE2 GLN A 24 5.872 1.012 3.037 1.00 0.00 N ATOM 0 H GLN A 24 3.806 4.706 3.822 1.00 0.00 H new ATOM 0 HA GLN A 24 1.783 4.231 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.671 2.022 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.007 3.146 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.270 2.570 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.866 1.524 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.226 1.950 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.512 0.274 2.743 1.00 0.00 H new ATOM 392 N ARG A 25 1.231 3.350 4.967 1.00 0.00 N ATOM 393 CA ARG A 25 0.230 2.941 5.921 1.00 0.00 C ATOM 394 C ARG A 25 -0.895 3.966 5.959 1.00 0.00 C ATOM 395 O ARG A 25 -2.072 3.616 5.995 1.00 0.00 O ATOM 396 CB ARG A 25 0.894 2.816 7.292 1.00 0.00 C ATOM 397 CG ARG A 25 0.007 3.236 8.440 1.00 0.00 C ATOM 398 CD ARG A 25 0.826 3.759 9.608 1.00 0.00 C ATOM 399 NE ARG A 25 1.898 2.840 9.991 1.00 0.00 N ATOM 400 CZ ARG A 25 3.024 3.223 10.594 1.00 0.00 C ATOM 401 NH1 ARG A 25 3.238 4.508 10.854 1.00 0.00 N ATOM 402 NH2 ARG A 25 3.940 2.322 10.922 1.00 0.00 N ATOM 0 H ARG A 25 2.083 3.716 5.393 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.198 1.980 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.202 1.781 7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.799 3.423 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.685 4.008 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.595 2.388 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.256 4.725 9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.170 3.925 10.463 1.00 0.00 H new ATOM 0 HE ARG A 25 1.777 1.848 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.540 5.204 10.592 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.100 4.798 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.783 1.336 10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.801 2.615 11.383 1.00 0.00 H new ATOM 416 N LEU A 26 -0.514 5.236 5.944 1.00 0.00 N ATOM 417 CA LEU A 26 -1.472 6.332 5.975 1.00 0.00 C ATOM 418 C LEU A 26 -2.381 6.275 4.756 1.00 0.00 C ATOM 419 O LEU A 26 -3.569 6.590 4.832 1.00 0.00 O ATOM 420 CB LEU A 26 -0.720 7.662 6.034 1.00 0.00 C ATOM 421 CG LEU A 26 0.218 7.797 7.240 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.048 9.062 7.148 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.575 7.779 8.537 1.00 0.00 C ATOM 0 H LEU A 26 0.461 5.534 5.910 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.098 6.242 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.138 7.779 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.444 8.476 6.058 1.00 0.00 H new ATOM 0 HG LEU A 26 0.897 6.945 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.703 9.131 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.650 9.037 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.388 9.929 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.107 7.876 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.281 8.610 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.120 6.839 8.617 1.00 0.00 H new ATOM 435 N ILE A 27 -1.809 5.851 3.637 1.00 0.00 N ATOM 436 CA ILE A 27 -2.571 5.620 2.422 1.00 0.00 C ATOM 437 C ILE A 27 -3.617 4.538 2.644 1.00 0.00 C ATOM 438 O ILE A 27 -4.806 4.761 2.424 1.00 0.00 O ATOM 439 CB ILE A 27 -1.660 5.180 1.263 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.654 6.268 0.927 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.478 4.825 0.031 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.351 5.828 -0.103 1.00 0.00 C ATOM 0 H ILE A 27 -0.811 5.659 3.548 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.054 6.563 2.164 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.118 4.290 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.184 7.147 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.131 6.567 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.810 4.517 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.159 4.008 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.052 5.695 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.045 6.644 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.903 4.966 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.166 5.555 -1.023 1.00 0.00 H new ATOM 454 N THR A 28 -3.157 3.371 3.092 1.00 0.00 N ATOM 455 CA THR A 28 -4.019 2.201 3.230 1.00 0.00 C ATOM 456 C THR A 28 -5.243 2.493 4.104 1.00 0.00 C ATOM 457 O THR A 28 -6.322 1.967 3.846 1.00 0.00 O ATOM 458 CB THR A 28 -3.250 0.972 3.786 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.834 -0.231 3.273 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.283 0.913 5.309 1.00 0.00 C ATOM 0 H THR A 28 -2.188 3.212 3.366 1.00 0.00 H new ATOM 0 HA THR A 28 -4.365 1.959 2.225 1.00 0.00 H new ATOM 0 HB THR A 28 -2.212 1.070 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.347 -1.006 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.732 0.037 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.824 1.813 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.317 0.847 5.648 1.00 0.00 H new ATOM 468 N GLN A 29 -5.078 3.346 5.118 1.00 0.00 N ATOM 469 CA GLN A 29 -6.176 3.693 6.018 1.00 0.00 C ATOM 470 C GLN A 29 -7.300 4.346 5.243 1.00 0.00 C ATOM 471 O GLN A 29 -8.464 3.958 5.344 1.00 0.00 O ATOM 472 CB GLN A 29 -5.701 4.666 7.092 1.00 0.00 C ATOM 473 CG GLN A 29 -4.458 4.212 7.820 1.00 0.00 C ATOM 474 CD GLN A 29 -4.665 2.930 8.600 1.00 0.00 C ATOM 475 OE1 GLN A 29 -5.761 2.650 9.092 1.00 0.00 O ATOM 476 NE2 GLN A 29 -3.618 2.132 8.704 1.00 0.00 N ATOM 0 H GLN A 29 -4.195 3.808 5.335 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.529 2.774 6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.507 5.635 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.502 4.812 7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.654 4.066 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.136 4.998 8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.729 2.400 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.699 1.248 9.206 1.00 0.00 H new ATOM 485 N LYS A 30 -6.931 5.350 4.478 1.00 0.00 N ATOM 486 CA LYS A 30 -7.888 6.091 3.678 1.00 0.00 C ATOM 487 C LYS A 30 -8.428 5.208 2.557 1.00 0.00 C ATOM 488 O LYS A 30 -9.637 5.126 2.359 1.00 0.00 O ATOM 489 CB LYS A 30 -7.241 7.354 3.095 1.00 0.00 C ATOM 490 CG LYS A 30 -6.319 8.084 4.065 1.00 0.00 C ATOM 491 CD LYS A 30 -6.972 8.311 5.422 1.00 0.00 C ATOM 492 CE LYS A 30 -6.020 8.997 6.389 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.737 10.403 5.994 1.00 0.00 N ATOM 0 H LYS A 30 -5.968 5.676 4.391 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.716 6.394 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.673 7.081 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.027 8.037 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.404 7.507 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.032 9.044 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.868 8.919 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.290 7.355 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.449 8.982 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.085 8.438 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.167 10.863 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.213 10.412 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.633 10.918 5.877 1.00 0.00 H new ATOM 507 N GLU A 31 -7.519 4.538 1.851 1.00 0.00 N ATOM 508 CA GLU A 31 -7.870 3.655 0.737 1.00 0.00 C ATOM 509 C GLU A 31 -8.980 2.671 1.085 1.00 0.00 C ATOM 510 O GLU A 31 -9.972 2.593 0.373 1.00 0.00 O ATOM 511 CB GLU A 31 -6.640 2.885 0.266 1.00 0.00 C ATOM 512 CG GLU A 31 -5.711 3.709 -0.599 1.00 0.00 C ATOM 513 CD GLU A 31 -6.239 3.900 -2.005 1.00 0.00 C ATOM 514 OE1 GLU A 31 -7.293 4.549 -2.177 1.00 0.00 O ATOM 515 OE2 GLU A 31 -5.589 3.401 -2.949 1.00 0.00 O ATOM 0 H GLU A 31 -6.517 4.591 2.034 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.242 4.297 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.091 2.525 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.962 2.007 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.560 4.684 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.736 3.223 -0.644 1.00 0.00 H new ATOM 522 N GLU A 32 -8.818 1.922 2.172 1.00 0.00 N ATOM 523 CA GLU A 32 -9.801 0.902 2.534 1.00 0.00 C ATOM 524 C GLU A 32 -11.177 1.515 2.782 1.00 0.00 C ATOM 525 O GLU A 32 -12.202 0.921 2.436 1.00 0.00 O ATOM 526 CB GLU A 32 -9.346 0.095 3.758 1.00 0.00 C ATOM 527 CG GLU A 32 -8.876 0.943 4.927 1.00 0.00 C ATOM 528 CD GLU A 32 -8.592 0.126 6.167 1.00 0.00 C ATOM 529 OE1 GLU A 32 -7.729 -0.778 6.110 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.227 0.387 7.210 1.00 0.00 O ATOM 0 H GLU A 32 -8.027 1.999 2.811 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.881 0.220 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.171 -0.535 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.537 -0.571 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.974 1.483 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.635 1.691 5.156 1.00 0.00 H new ATOM 537 N LYS A 33 -11.200 2.711 3.348 1.00 0.00 N ATOM 538 CA LYS A 33 -12.458 3.373 3.652 1.00 0.00 C ATOM 539 C LYS A 33 -13.038 4.008 2.389 1.00 0.00 C ATOM 540 O LYS A 33 -14.239 3.907 2.125 1.00 0.00 O ATOM 541 CB LYS A 33 -12.252 4.422 4.743 1.00 0.00 C ATOM 542 CG LYS A 33 -13.538 4.835 5.441 1.00 0.00 C ATOM 543 CD LYS A 33 -13.287 5.886 6.512 1.00 0.00 C ATOM 544 CE LYS A 33 -12.376 5.362 7.612 1.00 0.00 C ATOM 545 NZ LYS A 33 -12.130 6.387 8.659 1.00 0.00 N ATOM 0 H LYS A 33 -10.367 3.241 3.605 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.168 2.633 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.555 4.031 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.787 5.305 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.241 5.226 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.004 3.959 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.838 6.769 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.237 6.199 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.825 4.479 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.426 5.049 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.505 5.993 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.678 7.220 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.034 6.667 9.090 1.00 0.00 H new ATOM 559 N ILE A 34 -12.175 4.642 1.601 1.00 0.00 N ATOM 560 CA ILE A 34 -12.574 5.219 0.322 1.00 0.00 C ATOM 561 C ILE A 34 -13.030 4.118 -0.634 1.00 0.00 C ATOM 562 O ILE A 34 -13.891 4.336 -1.479 1.00 0.00 O ATOM 563 CB ILE A 34 -11.419 6.019 -0.328 1.00 0.00 C ATOM 564 CG1 ILE A 34 -11.122 7.273 0.484 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.760 6.399 -1.761 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.714 7.798 0.287 1.00 0.00 C ATOM 0 H ILE A 34 -11.189 4.770 1.828 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.399 5.905 0.515 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.533 5.384 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.834 8.052 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.277 7.058 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.933 6.960 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.932 5.495 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.660 7.014 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.571 8.692 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.996 7.035 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.561 8.045 -0.764 1.00 0.00 H new ATOM 578 N ARG A 35 -12.447 2.933 -0.481 1.00 0.00 N ATOM 579 CA ARG A 35 -12.774 1.783 -1.296 1.00 0.00 C ATOM 580 C ARG A 35 -14.259 1.470 -1.207 1.00 0.00 C ATOM 581 O ARG A 35 -14.900 1.140 -2.203 1.00 0.00 O ATOM 582 CB ARG A 35 -11.959 0.598 -0.801 1.00 0.00 C ATOM 583 CG ARG A 35 -11.395 -0.263 -1.909 1.00 0.00 C ATOM 584 CD ARG A 35 -12.473 -1.065 -2.618 1.00 0.00 C ATOM 585 NE ARG A 35 -11.938 -1.810 -3.755 1.00 0.00 N ATOM 586 CZ ARG A 35 -12.485 -2.919 -4.250 1.00 0.00 C ATOM 587 NH1 ARG A 35 -13.576 -3.434 -3.698 1.00 0.00 N ATOM 588 NH2 ARG A 35 -11.934 -3.513 -5.299 1.00 0.00 N ATOM 0 H ARG A 35 -11.729 2.749 0.220 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.537 1.992 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.138 0.966 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.587 -0.019 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.880 0.370 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.651 -0.944 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.932 -1.758 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.259 -0.393 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.090 -1.458 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.001 -2.980 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.990 -4.284 -4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.094 -3.121 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.350 -4.362 -5.681 1.00 0.00 H new ATOM 602 N VAL A 36 -14.797 1.587 -0.008 1.00 0.00 N ATOM 603 CA VAL A 36 -16.217 1.379 0.206 1.00 0.00 C ATOM 604 C VAL A 36 -17.013 2.499 -0.452 1.00 0.00 C ATOM 605 O VAL A 36 -18.056 2.266 -1.066 1.00 0.00 O ATOM 606 CB VAL A 36 -16.548 1.318 1.701 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.986 0.874 1.909 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.568 0.396 2.412 1.00 0.00 C ATOM 0 H VAL A 36 -14.272 1.825 0.834 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.490 0.425 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.448 2.314 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.204 0.836 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.659 1.582 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.128 -0.115 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.810 0.358 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.638 -0.606 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.554 0.775 2.284 1.00 0.00 H new ATOM 618 N LEU A 37 -16.495 3.716 -0.330 1.00 0.00 N ATOM 619 CA LEU A 37 -17.073 4.871 -1.007 1.00 0.00 C ATOM 620 C LEU A 37 -17.102 4.634 -2.508 1.00 0.00 C ATOM 621 O LEU A 37 -18.084 4.948 -3.162 1.00 0.00 O ATOM 622 CB LEU A 37 -16.280 6.146 -0.693 1.00 0.00 C ATOM 623 CG LEU A 37 -16.737 6.937 0.539 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.955 7.790 0.207 1.00 0.00 C ATOM 625 CD2 LEU A 37 -17.046 6.002 1.698 1.00 0.00 C ATOM 0 H LEU A 37 -15.672 3.929 0.234 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.092 5.004 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.233 5.875 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.329 6.804 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.923 7.597 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.264 8.344 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.702 8.491 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.771 7.147 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.368 6.586 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.840 5.314 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.152 5.435 1.957 1.00 0.00 H new ATOM 637 N ARG A 38 -16.024 4.056 -3.034 1.00 0.00 N ATOM 638 CA ARG A 38 -15.922 3.730 -4.459 1.00 0.00 C ATOM 639 C ARG A 38 -17.144 2.946 -4.919 1.00 0.00 C ATOM 640 O ARG A 38 -17.779 3.290 -5.912 1.00 0.00 O ATOM 641 CB ARG A 38 -14.665 2.898 -4.745 1.00 0.00 C ATOM 642 CG ARG A 38 -13.352 3.583 -4.404 1.00 0.00 C ATOM 643 CD ARG A 38 -13.118 4.819 -5.251 1.00 0.00 C ATOM 644 NE ARG A 38 -11.801 5.403 -4.999 1.00 0.00 N ATOM 645 CZ ARG A 38 -11.348 6.516 -5.574 1.00 0.00 C ATOM 646 NH1 ARG A 38 -12.106 7.187 -6.431 1.00 0.00 N ATOM 647 NH2 ARG A 38 -10.128 6.959 -5.293 1.00 0.00 N ATOM 0 H ARG A 38 -15.200 3.801 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.863 4.671 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.728 1.966 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.656 2.633 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.351 3.861 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.529 2.883 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.206 4.560 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.891 5.558 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.188 4.926 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.043 6.852 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.752 8.038 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.538 6.447 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.781 7.811 -5.733 1.00 0.00 H new ATOM 661 N GLN A 39 -17.472 1.904 -4.167 1.00 0.00 N ATOM 662 CA GLN A 39 -18.589 1.022 -4.498 1.00 0.00 C ATOM 663 C GLN A 39 -19.906 1.773 -4.409 1.00 0.00 C ATOM 664 O GLN A 39 -20.808 1.583 -5.225 1.00 0.00 O ATOM 665 CB GLN A 39 -18.624 -0.171 -3.537 1.00 0.00 C ATOM 666 CG GLN A 39 -17.285 -0.869 -3.353 1.00 0.00 C ATOM 667 CD GLN A 39 -17.039 -1.993 -4.343 1.00 0.00 C ATOM 668 OE1 GLN A 39 -16.335 -2.952 -4.037 1.00 0.00 O ATOM 669 NE2 GLN A 39 -17.625 -1.905 -5.520 1.00 0.00 N ATOM 0 H GLN A 39 -16.976 1.645 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.449 0.665 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.978 0.172 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.351 -0.896 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.486 -0.133 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -17.231 -1.270 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.203 -1.095 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.500 -2.647 -6.209 1.00 0.00 H new ATOM 678 N ARG A 40 -20.003 2.626 -3.408 1.00 0.00 N ATOM 679 CA ARG A 40 -21.175 3.451 -3.215 1.00 0.00 C ATOM 680 C ARG A 40 -21.311 4.466 -4.345 1.00 0.00 C ATOM 681 O ARG A 40 -22.418 4.770 -4.796 1.00 0.00 O ATOM 682 CB ARG A 40 -21.084 4.136 -1.856 1.00 0.00 C ATOM 683 CG ARG A 40 -21.599 3.262 -0.725 1.00 0.00 C ATOM 684 CD ARG A 40 -21.357 3.872 0.645 1.00 0.00 C ATOM 685 NE ARG A 40 -22.405 3.477 1.584 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.236 3.314 2.892 1.00 0.00 C ATOM 687 NH1 ARG A 40 -21.040 3.468 3.450 1.00 0.00 N ATOM 688 NH2 ARG A 40 -23.275 2.982 3.645 1.00 0.00 N ATOM 0 H ARG A 40 -19.273 2.765 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 40 -22.069 2.828 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.047 4.406 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.655 5.064 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -22.667 3.093 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -21.114 2.287 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.386 3.553 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.327 4.959 0.564 1.00 0.00 H new ATOM 0 HE ARG A 40 -23.338 3.314 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.236 3.715 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.926 3.340 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.193 2.854 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.156 2.854 4.650 1.00 0.00 H new ATOM 702 N LEU A 41 -20.177 4.970 -4.807 1.00 0.00 N ATOM 703 CA LEU A 41 -20.141 5.874 -5.947 1.00 0.00 C ATOM 704 C LEU A 41 -20.491 5.142 -7.235 1.00 0.00 C ATOM 705 O LEU A 41 -20.994 5.750 -8.176 1.00 0.00 O ATOM 706 CB LEU A 41 -18.759 6.507 -6.083 1.00 0.00 C ATOM 707 CG LEU A 41 -18.252 7.226 -4.850 1.00 0.00 C ATOM 708 CD1 LEU A 41 -16.815 7.664 -5.042 1.00 0.00 C ATOM 709 CD2 LEU A 41 -19.139 8.401 -4.560 1.00 0.00 C ATOM 0 H LEU A 41 -19.262 4.766 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.881 6.655 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.045 5.727 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.781 7.214 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.278 6.546 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.469 8.179 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.189 6.790 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.751 8.339 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.776 8.920 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.128 9.083 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.158 8.054 -4.386 1.00 0.00 H new ATOM 721 N VAL A 42 -20.213 3.842 -7.278 1.00 0.00 N ATOM 722 CA VAL A 42 -20.579 3.012 -8.421 1.00 0.00 C ATOM 723 C VAL A 42 -22.074 3.104 -8.691 1.00 0.00 C ATOM 724 O VAL A 42 -22.497 3.310 -9.824 1.00 0.00 O ATOM 725 CB VAL A 42 -20.188 1.534 -8.194 1.00 0.00 C ATOM 726 CG1 VAL A 42 -20.763 0.640 -9.278 1.00 0.00 C ATOM 727 CG2 VAL A 42 -18.677 1.384 -8.131 1.00 0.00 C ATOM 0 H VAL A 42 -19.734 3.339 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.030 3.387 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.610 1.221 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -20.471 -0.393 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -21.850 0.716 -9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.381 0.955 -10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.422 0.337 -7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.238 1.725 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.286 1.983 -7.308 1.00 0.00 H new ATOM 737 N GLU A 43 -22.862 2.990 -7.632 1.00 0.00 N ATOM 738 CA GLU A 43 -24.312 3.070 -7.740 1.00 0.00 C ATOM 739 C GLU A 43 -24.753 4.469 -8.154 1.00 0.00 C ATOM 740 O GLU A 43 -25.785 4.647 -8.797 1.00 0.00 O ATOM 741 CB GLU A 43 -24.948 2.706 -6.406 1.00 0.00 C ATOM 742 CG GLU A 43 -24.517 1.353 -5.877 1.00 0.00 C ATOM 743 CD GLU A 43 -25.125 1.053 -4.527 1.00 0.00 C ATOM 744 OE1 GLU A 43 -24.601 1.547 -3.508 1.00 0.00 O ATOM 745 OE2 GLU A 43 -26.142 0.331 -4.479 1.00 0.00 O ATOM 0 H GLU A 43 -22.519 2.841 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 43 -24.638 2.366 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -24.695 3.471 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -26.032 2.715 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -24.807 0.577 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -23.430 1.323 -5.800 1.00 0.00 H new ATOM 752 N ARG A 44 -23.962 5.463 -7.771 1.00 0.00 N ATOM 753 CA ARG A 44 -24.254 6.847 -8.112 1.00 0.00 C ATOM 754 C ARG A 44 -23.821 7.151 -9.538 1.00 0.00 C ATOM 755 O ARG A 44 -24.331 8.068 -10.180 1.00 0.00 O ATOM 756 CB ARG A 44 -23.529 7.795 -7.159 1.00 0.00 C ATOM 757 CG ARG A 44 -23.911 7.619 -5.703 1.00 0.00 C ATOM 758 CD ARG A 44 -23.249 8.673 -4.832 1.00 0.00 C ATOM 759 NE ARG A 44 -23.689 10.022 -5.182 1.00 0.00 N ATOM 760 CZ ARG A 44 -22.869 11.060 -5.357 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.555 10.919 -5.200 1.00 0.00 N ATOM 762 NH2 ARG A 44 -23.366 12.242 -5.686 1.00 0.00 N ATOM 0 H ARG A 44 -23.111 5.335 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 44 -25.330 6.993 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -22.454 7.645 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -23.738 8.823 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -24.994 7.684 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -23.617 6.626 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -23.479 8.476 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -22.166 8.605 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 44 -24.690 10.181 -5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.166 10.011 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.936 11.719 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.373 12.357 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.742 13.038 -5.821 1.00 0.00 H new ATOM 776 N GLY A 45 -22.870 6.369 -10.017 1.00 0.00 N ATOM 777 CA GLY A 45 -22.281 6.609 -11.316 1.00 0.00 C ATOM 778 C GLY A 45 -21.149 7.608 -11.227 1.00 0.00 C ATOM 779 O GLY A 45 -20.692 8.141 -12.234 1.00 0.00 O ATOM 0 H GLY A 45 -22.491 5.562 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.910 5.671 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.044 6.979 -12.001 1.00 0.00 H new ATOM 783 N ASP A 46 -20.698 7.852 -10.005 1.00 0.00 N ATOM 784 CA ASP A 46 -19.611 8.792 -9.735 1.00 0.00 C ATOM 785 C ASP A 46 -18.272 8.057 -9.765 1.00 0.00 C ATOM 786 O ASP A 46 -17.217 8.643 -9.544 1.00 0.00 O ATOM 787 CB ASP A 46 -19.831 9.467 -8.373 1.00 0.00 C ATOM 788 CG ASP A 46 -18.844 10.587 -8.086 1.00 0.00 C ATOM 789 OD1 ASP A 46 -18.997 11.679 -8.673 1.00 0.00 O ATOM 790 OD2 ASP A 46 -17.942 10.398 -7.246 1.00 0.00 O ATOM 0 H ASP A 46 -21.074 7.405 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 46 -19.600 9.564 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -20.844 9.867 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -19.755 8.716 -7.587 1.00 0.00 H new ATOM 795 N ALA A 47 -18.348 6.759 -10.056 1.00 0.00 N ATOM 796 CA ALA A 47 -17.190 5.864 -10.040 1.00 0.00 C ATOM 797 C ALA A 47 -15.987 6.423 -10.802 1.00 0.00 C ATOM 798 O ALA A 47 -14.844 6.226 -10.390 1.00 0.00 O ATOM 799 CB ALA A 47 -17.581 4.508 -10.609 1.00 0.00 C ATOM 0 H ALA A 47 -19.220 6.295 -10.311 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.882 5.763 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -16.716 3.845 -10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -18.379 4.076 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.928 4.630 -11.635 1.00 0.00 H new ATOM 805 N LYS A 48 -16.230 7.115 -11.908 1.00 0.00 N ATOM 806 CA LYS A 48 -15.130 7.658 -12.695 1.00 0.00 C ATOM 807 C LYS A 48 -14.860 9.109 -12.321 1.00 0.00 C ATOM 808 O LYS A 48 -13.716 9.564 -12.346 1.00 0.00 O ATOM 809 CB LYS A 48 -15.394 7.548 -14.201 1.00 0.00 C ATOM 810 CG LYS A 48 -15.272 6.134 -14.765 1.00 0.00 C ATOM 811 CD LYS A 48 -16.439 5.244 -14.367 1.00 0.00 C ATOM 812 CE LYS A 48 -17.763 5.890 -14.717 1.00 0.00 C ATOM 813 NZ LYS A 48 -18.908 4.952 -14.585 1.00 0.00 N ATOM 0 H LYS A 48 -17.161 7.311 -12.276 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.249 7.060 -12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.396 7.923 -14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.694 8.197 -14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.212 6.184 -15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.342 5.686 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.355 4.282 -14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.400 5.045 -13.296 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.926 6.751 -14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.721 6.265 -15.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.790 5.443 -14.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.769 4.143 -15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.968 4.613 -13.604 1.00 0.00 H new ATOM 827 N GLY A 49 -15.916 9.823 -11.961 1.00 0.00 N ATOM 828 CA GLY A 49 -15.792 11.229 -11.650 1.00 0.00 C ATOM 829 C GLY A 49 -15.728 12.067 -12.905 1.00 0.00 C ATOM 830 O GLY A 49 -16.604 11.975 -13.767 1.00 0.00 O ATOM 0 H GLY A 49 -16.862 9.449 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.640 11.545 -11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.894 11.394 -11.054 1.00 0.00 H new ATOM 834 N THR A 50 -14.692 12.878 -13.019 1.00 0.00 N ATOM 835 CA THR A 50 -14.483 13.693 -14.202 1.00 0.00 C ATOM 836 C THR A 50 -12.995 13.772 -14.528 1.00 0.00 C ATOM 837 O THR A 50 -12.263 14.589 -13.965 1.00 0.00 O ATOM 838 CB THR A 50 -15.058 15.113 -14.013 1.00 0.00 C ATOM 839 OG1 THR A 50 -16.464 15.035 -13.729 1.00 0.00 O ATOM 840 CG2 THR A 50 -14.839 15.963 -15.257 1.00 0.00 C ATOM 0 H THR A 50 -13.977 12.990 -12.300 1.00 0.00 H new ATOM 0 HA THR A 50 -15.010 13.222 -15.032 1.00 0.00 H new ATOM 0 HB THR A 50 -14.537 15.581 -13.178 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.824 15.938 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.254 16.958 -15.096 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.771 16.044 -15.459 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.335 15.497 -16.108 1.00 0.00 H new ATOM 848 N GLU A 51 -12.548 12.895 -15.417 1.00 0.00 N ATOM 849 CA GLU A 51 -11.155 12.872 -15.825 1.00 0.00 C ATOM 850 C GLU A 51 -11.029 13.245 -17.294 1.00 0.00 C ATOM 851 O GLU A 51 -11.028 12.380 -18.173 1.00 0.00 O ATOM 852 CB GLU A 51 -10.551 11.490 -15.589 1.00 0.00 C ATOM 853 CG GLU A 51 -10.716 10.984 -14.174 1.00 0.00 C ATOM 854 CD GLU A 51 -9.921 9.727 -13.915 1.00 0.00 C ATOM 855 OE1 GLU A 51 -10.443 8.620 -14.168 1.00 0.00 O ATOM 856 OE2 GLU A 51 -8.767 9.839 -13.454 1.00 0.00 O ATOM 0 H GLU A 51 -13.132 12.191 -15.868 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.611 13.601 -15.225 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.013 10.780 -16.275 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.489 11.522 -15.832 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.402 11.759 -13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.771 10.789 -13.982 1.00 0.00 H new ATOM 863 N LEU A 52 -10.916 14.535 -17.554 1.00 0.00 N ATOM 864 CA LEU A 52 -10.814 15.042 -18.905 1.00 0.00 C ATOM 865 C LEU A 52 -9.359 15.213 -19.348 1.00 0.00 C ATOM 866 O LEU A 52 -9.093 15.643 -20.469 1.00 0.00 O ATOM 867 CB LEU A 52 -11.598 16.358 -19.011 1.00 0.00 C ATOM 868 CG LEU A 52 -11.095 17.582 -18.207 1.00 0.00 C ATOM 869 CD1 LEU A 52 -10.497 17.232 -16.851 1.00 0.00 C ATOM 870 CD2 LEU A 52 -10.123 18.420 -19.027 1.00 0.00 C ATOM 0 H LEU A 52 -10.893 15.257 -16.834 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.251 14.311 -19.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.629 16.642 -20.063 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.625 16.158 -18.704 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.985 18.175 -17.996 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.169 18.144 -16.352 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.249 16.734 -16.239 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.644 16.567 -16.990 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.788 19.272 -18.435 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.263 17.811 -19.306 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.621 18.778 -19.928 1.00 0.00 H new ATOM 882 N ASN A 53 -8.420 14.870 -18.474 1.00 0.00 N ATOM 883 CA ASN A 53 -7.007 14.974 -18.814 1.00 0.00 C ATOM 884 C ASN A 53 -6.477 13.637 -19.308 1.00 0.00 C ATOM 885 O ASN A 53 -7.079 12.589 -19.044 1.00 0.00 O ATOM 886 CB ASN A 53 -6.170 15.452 -17.620 1.00 0.00 C ATOM 887 CG ASN A 53 -6.543 16.847 -17.158 1.00 0.00 C ATOM 888 OD1 ASN A 53 -6.092 17.844 -17.727 1.00 0.00 O ATOM 889 ND2 ASN A 53 -7.335 16.932 -16.100 1.00 0.00 N ATOM 0 H ASN A 53 -8.609 14.521 -17.534 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.919 15.714 -19.609 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.296 14.755 -16.792 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.115 15.435 -17.893 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.592 17.846 -15.728 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.688 16.083 -15.657 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 14.134 -0.451 -19.221 1.00 0.00 N ATOM 898 CA GLY B 84 14.241 -0.823 -17.827 1.00 0.00 C ATOM 899 C GLY B 84 14.127 -2.323 -17.658 1.00 0.00 C ATOM 900 O GLY B 84 13.037 -2.834 -17.398 1.00 0.00 O ATOM 0 HA2 GLY B 84 15.195 -0.479 -17.427 1.00 0.00 H new ATOM 0 HA3 GLY B 84 13.458 -0.328 -17.253 1.00 0.00 H new ATOM 904 N PRO B 85 15.236 -3.060 -17.826 1.00 0.00 N ATOM 905 CA PRO B 85 15.233 -4.515 -17.790 1.00 0.00 C ATOM 906 C PRO B 85 15.432 -5.077 -16.387 1.00 0.00 C ATOM 907 O PRO B 85 15.411 -4.338 -15.400 1.00 0.00 O ATOM 908 CB PRO B 85 16.420 -4.860 -18.680 1.00 0.00 C ATOM 909 CG PRO B 85 17.406 -3.784 -18.387 1.00 0.00 C ATOM 910 CD PRO B 85 16.600 -2.541 -18.061 1.00 0.00 C ATOM 0 HA PRO B 85 14.282 -4.937 -18.115 1.00 0.00 H new ATOM 0 HB2 PRO B 85 16.822 -5.846 -18.447 1.00 0.00 H new ATOM 0 HB3 PRO B 85 16.141 -4.871 -19.734 1.00 0.00 H new ATOM 0 HG2 PRO B 85 18.047 -4.062 -17.550 1.00 0.00 H new ATOM 0 HG3 PRO B 85 18.058 -3.611 -19.243 1.00 0.00 H new ATOM 0 HD2 PRO B 85 16.991 -2.029 -17.181 1.00 0.00 H new ATOM 0 HD3 PRO B 85 16.620 -1.824 -18.882 1.00 0.00 H new ATOM 918 N LEU B 86 15.602 -6.391 -16.321 1.00 0.00 N ATOM 919 CA LEU B 86 15.801 -7.108 -15.067 1.00 0.00 C ATOM 920 C LEU B 86 16.904 -6.505 -14.193 1.00 0.00 C ATOM 921 O LEU B 86 17.946 -6.063 -14.680 1.00 0.00 O ATOM 922 CB LEU B 86 16.105 -8.586 -15.352 1.00 0.00 C ATOM 923 CG LEU B 86 16.830 -8.886 -16.676 1.00 0.00 C ATOM 924 CD1 LEU B 86 18.196 -8.213 -16.739 1.00 0.00 C ATOM 925 CD2 LEU B 86 16.972 -10.388 -16.866 1.00 0.00 C ATOM 0 H LEU B 86 15.606 -6.995 -17.143 1.00 0.00 H new ATOM 0 HA LEU B 86 14.873 -7.017 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU B 86 16.710 -8.976 -14.534 1.00 0.00 H new ATOM 0 HB3 LEU B 86 15.165 -9.137 -15.343 1.00 0.00 H new ATOM 0 HG LEU B 86 16.225 -8.476 -17.485 1.00 0.00 H new ATOM 0 HD11 LEU B 86 18.675 -8.450 -17.689 1.00 0.00 H new ATOM 0 HD12 LEU B 86 18.074 -7.133 -16.653 1.00 0.00 H new ATOM 0 HD13 LEU B 86 18.818 -8.574 -15.920 1.00 0.00 H new ATOM 0 HD21 LEU B 86 17.486 -10.589 -17.806 1.00 0.00 H new ATOM 0 HD22 LEU B 86 17.548 -10.806 -16.041 1.00 0.00 H new ATOM 0 HD23 LEU B 86 15.984 -10.847 -16.888 1.00 0.00 H new ATOM 937 N GLY B 87 16.647 -6.486 -12.894 1.00 0.00 N ATOM 938 CA GLY B 87 17.648 -6.072 -11.936 1.00 0.00 C ATOM 939 C GLY B 87 18.163 -7.251 -11.141 1.00 0.00 C ATOM 940 O GLY B 87 19.073 -7.122 -10.323 1.00 0.00 O ATOM 0 H GLY B 87 15.752 -6.753 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY B 87 18.476 -5.591 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY B 87 17.223 -5.331 -11.259 1.00 0.00 H new ATOM 944 N SER B 88 17.579 -8.412 -11.393 1.00 0.00 N ATOM 945 CA SER B 88 17.936 -9.622 -10.674 1.00 0.00 C ATOM 946 C SER B 88 19.229 -10.232 -11.215 1.00 0.00 C ATOM 947 O SER B 88 19.801 -11.132 -10.602 1.00 0.00 O ATOM 948 CB SER B 88 16.782 -10.624 -10.756 1.00 0.00 C ATOM 949 OG SER B 88 16.276 -10.712 -12.080 1.00 0.00 O ATOM 0 H SER B 88 16.851 -8.541 -12.095 1.00 0.00 H new ATOM 0 HA SER B 88 18.114 -9.367 -9.629 1.00 0.00 H new ATOM 0 HB2 SER B 88 17.124 -11.606 -10.428 1.00 0.00 H new ATOM 0 HB3 SER B 88 15.984 -10.321 -10.078 1.00 0.00 H new ATOM 0 HG SER B 88 15.541 -11.360 -12.107 1.00 0.00 H new ATOM 955 N ARG B 89 19.693 -9.732 -12.357 1.00 0.00 N ATOM 956 CA ARG B 89 20.944 -10.203 -12.941 1.00 0.00 C ATOM 957 C ARG B 89 22.124 -9.676 -12.131 1.00 0.00 C ATOM 958 O ARG B 89 23.014 -10.431 -11.732 1.00 0.00 O ATOM 959 CB ARG B 89 21.064 -9.754 -14.403 1.00 0.00 C ATOM 960 CG ARG B 89 22.331 -10.241 -15.097 1.00 0.00 C ATOM 961 CD ARG B 89 22.387 -11.758 -15.153 1.00 0.00 C ATOM 962 NE ARG B 89 23.573 -12.248 -15.851 1.00 0.00 N ATOM 963 CZ ARG B 89 23.831 -13.540 -16.046 1.00 0.00 C ATOM 964 NH1 ARG B 89 22.990 -14.463 -15.585 1.00 0.00 N ATOM 965 NH2 ARG B 89 24.931 -13.909 -16.691 1.00 0.00 N ATOM 0 H ARG B 89 19.223 -9.003 -12.894 1.00 0.00 H new ATOM 0 HA ARG B 89 20.950 -11.293 -12.917 1.00 0.00 H new ATOM 0 HB2 ARG B 89 20.197 -10.115 -14.956 1.00 0.00 H new ATOM 0 HB3 ARG B 89 21.036 -8.665 -14.442 1.00 0.00 H new ATOM 0 HG2 ARG B 89 22.371 -9.837 -16.108 1.00 0.00 H new ATOM 0 HG3 ARG B 89 23.205 -9.863 -14.567 1.00 0.00 H new ATOM 0 HD2 ARG B 89 22.376 -12.157 -14.139 1.00 0.00 H new ATOM 0 HD3 ARG B 89 21.494 -12.133 -15.653 1.00 0.00 H new ATOM 0 HE ARG B 89 24.240 -11.564 -16.208 1.00 0.00 H new ATOM 0 HH11 ARG B 89 22.148 -14.181 -15.083 1.00 0.00 H new ATOM 0 HH12 ARG B 89 23.187 -15.453 -15.734 1.00 0.00 H new ATOM 0 HH21 ARG B 89 25.580 -13.203 -17.038 1.00 0.00 H new ATOM 0 HH22 ARG B 89 25.127 -14.899 -16.840 1.00 0.00 H new ATOM 979 N ARG B 90 22.119 -8.376 -11.888 1.00 0.00 N ATOM 980 CA ARG B 90 23.127 -7.752 -11.049 1.00 0.00 C ATOM 981 C ARG B 90 22.496 -7.307 -9.739 1.00 0.00 C ATOM 982 O ARG B 90 22.354 -6.112 -9.478 1.00 0.00 O ATOM 983 CB ARG B 90 23.767 -6.562 -11.764 1.00 0.00 C ATOM 984 CG ARG B 90 24.487 -6.943 -13.045 1.00 0.00 C ATOM 985 CD ARG B 90 25.113 -5.733 -13.711 1.00 0.00 C ATOM 986 NE ARG B 90 25.817 -6.094 -14.938 1.00 0.00 N ATOM 987 CZ ARG B 90 26.012 -5.260 -15.955 1.00 0.00 C ATOM 988 NH1 ARG B 90 25.514 -4.030 -15.915 1.00 0.00 N ATOM 989 NH2 ARG B 90 26.690 -5.664 -17.022 1.00 0.00 N ATOM 0 H ARG B 90 21.424 -7.730 -12.262 1.00 0.00 H new ATOM 0 HA ARG B 90 23.911 -8.480 -10.840 1.00 0.00 H new ATOM 0 HB2 ARG B 90 22.995 -5.828 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG B 90 24.474 -6.079 -11.089 1.00 0.00 H new ATOM 0 HG2 ARG B 90 25.260 -7.679 -12.824 1.00 0.00 H new ATOM 0 HG3 ARG B 90 23.785 -7.415 -13.732 1.00 0.00 H new ATOM 0 HD2 ARG B 90 24.338 -5.001 -13.938 1.00 0.00 H new ATOM 0 HD3 ARG B 90 25.808 -5.256 -13.020 1.00 0.00 H new ATOM 0 HE ARG B 90 26.181 -7.043 -15.020 1.00 0.00 H new ATOM 0 HH11 ARG B 90 24.980 -3.722 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG B 90 25.666 -3.393 -16.697 1.00 0.00 H new ATOM 0 HH21 ARG B 90 27.061 -6.613 -17.061 1.00 0.00 H new ATOM 0 HH22 ARG B 90 26.840 -5.025 -17.803 1.00 0.00 H new ATOM 1003 N PHE B 91 22.121 -8.290 -8.929 1.00 0.00 N ATOM 1004 CA PHE B 91 21.402 -8.050 -7.681 1.00 0.00 C ATOM 1005 C PHE B 91 22.152 -7.074 -6.780 1.00 0.00 C ATOM 1006 O PHE B 91 21.602 -6.057 -6.363 1.00 0.00 O ATOM 1007 CB PHE B 91 21.182 -9.379 -6.951 1.00 0.00 C ATOM 1008 CG PHE B 91 20.417 -9.251 -5.664 1.00 0.00 C ATOM 1009 CD1 PHE B 91 21.080 -9.229 -4.447 1.00 0.00 C ATOM 1010 CD2 PHE B 91 19.035 -9.156 -5.672 1.00 0.00 C ATOM 1011 CE1 PHE B 91 20.378 -9.112 -3.262 1.00 0.00 C ATOM 1012 CE2 PHE B 91 18.329 -9.039 -4.492 1.00 0.00 C ATOM 1013 CZ PHE B 91 19.000 -9.018 -3.285 1.00 0.00 C ATOM 0 H PHE B 91 22.306 -9.275 -9.117 1.00 0.00 H new ATOM 0 HA PHE B 91 20.439 -7.601 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE B 91 20.648 -10.061 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE B 91 22.151 -9.832 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE B 91 22.157 -9.304 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE B 91 18.504 -9.174 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE B 91 20.906 -9.094 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE B 91 17.252 -8.964 -4.512 1.00 0.00 H new ATOM 0 HZ PHE B 91 18.448 -8.928 -2.361 1.00 0.00 H new ATOM 1023 N VAL B 92 23.411 -7.377 -6.505 1.00 0.00 N ATOM 1024 CA VAL B 92 24.212 -6.566 -5.596 1.00 0.00 C ATOM 1025 C VAL B 92 24.445 -5.171 -6.170 1.00 0.00 C ATOM 1026 O VAL B 92 24.352 -4.168 -5.455 1.00 0.00 O ATOM 1027 CB VAL B 92 25.575 -7.230 -5.307 1.00 0.00 C ATOM 1028 CG1 VAL B 92 26.384 -6.404 -4.318 1.00 0.00 C ATOM 1029 CG2 VAL B 92 25.381 -8.648 -4.790 1.00 0.00 C ATOM 0 H VAL B 92 23.903 -8.180 -6.898 1.00 0.00 H new ATOM 0 HA VAL B 92 23.654 -6.483 -4.664 1.00 0.00 H new ATOM 0 HB VAL B 92 26.133 -7.278 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL B 92 27.340 -6.894 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL B 92 26.560 -5.411 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL B 92 25.833 -6.315 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL B 92 26.353 -9.099 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL B 92 24.798 -8.623 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL B 92 24.852 -9.239 -5.538 1.00 0.00 H new ATOM 1039 N VAL B 93 24.717 -5.119 -7.466 1.00 0.00 N ATOM 1040 CA VAL B 93 25.053 -3.868 -8.132 1.00 0.00 C ATOM 1041 C VAL B 93 23.848 -2.936 -8.198 1.00 0.00 C ATOM 1042 O VAL B 93 23.899 -1.805 -7.696 1.00 0.00 O ATOM 1043 CB VAL B 93 25.581 -4.110 -9.557 1.00 0.00 C ATOM 1044 CG1 VAL B 93 26.066 -2.810 -10.181 1.00 0.00 C ATOM 1045 CG2 VAL B 93 26.692 -5.151 -9.553 1.00 0.00 C ATOM 0 H VAL B 93 24.711 -5.933 -8.080 1.00 0.00 H new ATOM 0 HA VAL B 93 25.838 -3.399 -7.539 1.00 0.00 H new ATOM 0 HB VAL B 93 24.759 -4.492 -10.162 1.00 0.00 H new ATOM 0 HG11 VAL B 93 26.435 -3.005 -11.188 1.00 0.00 H new ATOM 0 HG12 VAL B 93 25.241 -2.099 -10.228 1.00 0.00 H new ATOM 0 HG13 VAL B 93 26.870 -2.393 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL B 93 27.050 -5.305 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL B 93 27.515 -4.803 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL B 93 26.308 -6.091 -9.157 1.00 0.00 H new ATOM 1055 N ASP B 94 22.759 -3.408 -8.802 1.00 0.00 N ATOM 1056 CA ASP B 94 21.582 -2.569 -8.966 1.00 0.00 C ATOM 1057 C ASP B 94 21.008 -2.212 -7.615 1.00 0.00 C ATOM 1058 O ASP B 94 20.906 -1.045 -7.293 1.00 0.00 O ATOM 1059 CB ASP B 94 20.484 -3.217 -9.819 1.00 0.00 C ATOM 1060 CG ASP B 94 20.932 -3.559 -11.227 1.00 0.00 C ATOM 1061 OD1 ASP B 94 21.828 -2.869 -11.761 1.00 0.00 O ATOM 1062 OD2 ASP B 94 20.363 -4.493 -11.826 1.00 0.00 O ATOM 0 H ASP B 94 22.670 -4.352 -9.179 1.00 0.00 H new ATOM 0 HA ASP B 94 21.917 -1.676 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP B 94 20.141 -4.126 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP B 94 19.630 -2.541 -9.872 1.00 0.00 H new ATOM 1067 N ASP B 95 20.694 -3.213 -6.797 1.00 0.00 N ATOM 1068 CA ASP B 95 20.013 -2.971 -5.522 1.00 0.00 C ATOM 1069 C ASP B 95 20.802 -2.051 -4.599 1.00 0.00 C ATOM 1070 O ASP B 95 20.285 -1.597 -3.589 1.00 0.00 O ATOM 1071 CB ASP B 95 19.693 -4.272 -4.790 1.00 0.00 C ATOM 1072 CG ASP B 95 18.330 -4.821 -5.155 1.00 0.00 C ATOM 1073 OD1 ASP B 95 17.314 -4.148 -4.874 1.00 0.00 O ATOM 1074 OD2 ASP B 95 18.261 -5.935 -5.707 1.00 0.00 O ATOM 0 H ASP B 95 20.897 -4.194 -6.989 1.00 0.00 H new ATOM 0 HA ASP B 95 19.080 -2.472 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP B 95 20.455 -5.015 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP B 95 19.736 -4.100 -3.714 1.00 0.00 H new ATOM 1079 N ARG B 96 22.044 -1.763 -4.930 1.00 0.00 N ATOM 1080 CA ARG B 96 22.785 -0.772 -4.171 1.00 0.00 C ATOM 1081 C ARG B 96 22.230 0.615 -4.489 1.00 0.00 C ATOM 1082 O ARG B 96 21.660 1.288 -3.627 1.00 0.00 O ATOM 1083 CB ARG B 96 24.278 -0.831 -4.494 1.00 0.00 C ATOM 1084 CG ARG B 96 25.108 0.139 -3.669 1.00 0.00 C ATOM 1085 CD ARG B 96 26.576 0.090 -4.049 1.00 0.00 C ATOM 1086 NE ARG B 96 27.377 1.011 -3.245 1.00 0.00 N ATOM 1087 CZ ARG B 96 28.695 1.153 -3.367 1.00 0.00 C ATOM 1088 NH1 ARG B 96 29.362 0.441 -4.265 1.00 0.00 N ATOM 1089 NH2 ARG B 96 29.348 2.011 -2.594 1.00 0.00 N ATOM 0 H ARG B 96 22.555 -2.190 -5.703 1.00 0.00 H new ATOM 0 HA ARG B 96 22.669 -0.983 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG B 96 24.640 -1.845 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG B 96 24.423 -0.614 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.730 1.152 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.998 -0.098 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.951 -0.925 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG B 96 26.687 0.339 -5.104 1.00 0.00 H new ATOM 0 HE ARG B 96 26.897 1.580 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG B 96 28.865 -0.218 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG B 96 30.372 0.552 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG B 96 28.840 2.564 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG B 96 30.358 2.117 -2.690 1.00 0.00 H new ATOM 1103 N ARG B 97 22.357 1.006 -5.748 1.00 0.00 N ATOM 1104 CA ARG B 97 21.928 2.326 -6.199 1.00 0.00 C ATOM 1105 C ARG B 97 20.433 2.348 -6.526 1.00 0.00 C ATOM 1106 O ARG B 97 19.715 3.271 -6.147 1.00 0.00 O ATOM 1107 CB ARG B 97 22.770 2.735 -7.415 1.00 0.00 C ATOM 1108 CG ARG B 97 22.151 3.813 -8.288 1.00 0.00 C ATOM 1109 CD ARG B 97 21.619 3.220 -9.582 1.00 0.00 C ATOM 1110 NE ARG B 97 22.668 2.507 -10.312 1.00 0.00 N ATOM 1111 CZ ARG B 97 22.452 1.736 -11.374 1.00 0.00 C ATOM 1112 NH1 ARG B 97 21.228 1.592 -11.863 1.00 0.00 N ATOM 1113 NH2 ARG B 97 23.467 1.107 -11.951 1.00 0.00 N ATOM 0 H ARG B 97 22.757 0.423 -6.483 1.00 0.00 H new ATOM 0 HA ARG B 97 22.083 3.045 -5.395 1.00 0.00 H new ATOM 0 HB2 ARG B 97 23.741 3.085 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG B 97 22.951 1.851 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG B 97 21.342 4.304 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG B 97 22.895 4.578 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG B 97 20.799 2.537 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG B 97 21.213 4.014 -10.208 1.00 0.00 H new ATOM 0 HE ARG B 97 23.629 2.608 -9.985 1.00 0.00 H new ATOM 0 HH11 ARG B 97 20.444 2.074 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG B 97 21.071 0.999 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG B 97 24.411 1.215 -11.580 1.00 0.00 H new ATOM 0 HH22 ARG B 97 23.304 0.515 -12.766 1.00 0.00 H new ATOM 1127 N GLU B 98 19.982 1.314 -7.214 1.00 0.00 N ATOM 1128 CA GLU B 98 18.599 1.200 -7.651 1.00 0.00 C ATOM 1129 C GLU B 98 17.634 1.155 -6.473 1.00 0.00 C ATOM 1130 O GLU B 98 16.608 1.836 -6.481 1.00 0.00 O ATOM 1131 CB GLU B 98 18.418 -0.051 -8.512 1.00 0.00 C ATOM 1132 CG GLU B 98 18.958 0.110 -9.916 1.00 0.00 C ATOM 1133 CD GLU B 98 18.213 1.165 -10.704 1.00 0.00 C ATOM 1134 OE1 GLU B 98 17.060 0.913 -11.107 1.00 0.00 O ATOM 1135 OE2 GLU B 98 18.783 2.253 -10.932 1.00 0.00 O ATOM 0 H GLU B 98 20.567 0.525 -7.487 1.00 0.00 H new ATOM 0 HA GLU B 98 18.370 2.088 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU B 98 18.919 -0.891 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU B 98 17.358 -0.299 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU B 98 20.014 0.375 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU B 98 18.892 -0.844 -10.439 1.00 0.00 H new ATOM 1142 N LEU B 99 17.963 0.362 -5.457 1.00 0.00 N ATOM 1143 CA LEU B 99 17.067 0.188 -4.323 1.00 0.00 C ATOM 1144 C LEU B 99 16.916 1.498 -3.558 1.00 0.00 C ATOM 1145 O LEU B 99 15.802 1.968 -3.370 1.00 0.00 O ATOM 1146 CB LEU B 99 17.564 -0.944 -3.410 1.00 0.00 C ATOM 1147 CG LEU B 99 16.638 -1.384 -2.261 1.00 0.00 C ATOM 1148 CD1 LEU B 99 16.683 -0.401 -1.106 1.00 0.00 C ATOM 1149 CD2 LEU B 99 15.210 -1.559 -2.751 1.00 0.00 C ATOM 0 H LEU B 99 18.835 -0.164 -5.397 1.00 0.00 H new ATOM 0 HA LEU B 99 16.082 -0.096 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.766 -1.815 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.515 -0.635 -2.977 1.00 0.00 H new ATOM 0 HG LEU B 99 17.001 -2.346 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.018 -0.742 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU B 99 17.701 -0.336 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.362 0.582 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.576 -1.870 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.845 -0.614 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.184 -2.319 -3.532 1.00 0.00 H new ATOM 1161 N GLN B 100 18.027 2.104 -3.143 1.00 0.00 N ATOM 1162 CA GLN B 100 17.958 3.346 -2.369 1.00 0.00 C ATOM 1163 C GLN B 100 17.243 4.441 -3.162 1.00 0.00 C ATOM 1164 O GLN B 100 16.579 5.307 -2.589 1.00 0.00 O ATOM 1165 CB GLN B 100 19.354 3.822 -1.956 1.00 0.00 C ATOM 1166 CG GLN B 100 20.302 4.069 -3.117 1.00 0.00 C ATOM 1167 CD GLN B 100 21.653 4.588 -2.665 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.876 5.797 -2.585 1.00 0.00 O ATOM 1169 NE2 GLN B 100 22.561 3.677 -2.360 1.00 0.00 N ATOM 0 H GLN B 100 18.971 1.764 -3.325 1.00 0.00 H new ATOM 0 HA GLN B 100 17.387 3.138 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN B 100 19.255 4.743 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.797 3.079 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.440 3.141 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.852 4.787 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN B 100 22.336 2.685 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN B 100 23.487 3.966 -2.045 1.00 0.00 H new ATOM 1178 N TYR B 101 17.376 4.382 -4.478 1.00 0.00 N ATOM 1179 CA TYR B 101 16.727 5.336 -5.364 1.00 0.00 C ATOM 1180 C TYR B 101 15.214 5.137 -5.375 1.00 0.00 C ATOM 1181 O TYR B 101 14.460 6.102 -5.302 1.00 0.00 O ATOM 1182 CB TYR B 101 17.285 5.196 -6.784 1.00 0.00 C ATOM 1183 CG TYR B 101 16.683 6.164 -7.779 1.00 0.00 C ATOM 1184 CD1 TYR B 101 17.187 7.449 -7.912 1.00 0.00 C ATOM 1185 CD2 TYR B 101 15.611 5.792 -8.582 1.00 0.00 C ATOM 1186 CE1 TYR B 101 16.642 8.338 -8.815 1.00 0.00 C ATOM 1187 CE2 TYR B 101 15.061 6.676 -9.491 1.00 0.00 C ATOM 1188 CZ TYR B 101 15.579 7.947 -9.602 1.00 0.00 C ATOM 1189 OH TYR B 101 15.031 8.836 -10.501 1.00 0.00 O ATOM 0 H TYR B 101 17.933 3.676 -4.960 1.00 0.00 H new ATOM 0 HA TYR B 101 16.934 6.340 -4.992 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.364 5.344 -6.756 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.112 4.178 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.020 7.759 -7.298 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.201 4.797 -8.494 1.00 0.00 H new ATOM 0 HE1 TYR B 101 17.046 9.336 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR B 101 14.230 6.372 -10.110 1.00 0.00 H new ATOM 0 HH TYR B 101 14.291 8.405 -10.978 1.00 0.00 H new ATOM 1199 N ARG B 102 14.769 3.888 -5.455 1.00 0.00 N ATOM 1200 CA ARG B 102 13.341 3.611 -5.562 1.00 0.00 C ATOM 1201 C ARG B 102 12.608 3.937 -4.260 1.00 0.00 C ATOM 1202 O ARG B 102 11.407 4.181 -4.269 1.00 0.00 O ATOM 1203 CB ARG B 102 13.077 2.160 -6.014 1.00 0.00 C ATOM 1204 CG ARG B 102 13.563 1.072 -5.063 1.00 0.00 C ATOM 1205 CD ARG B 102 12.573 0.803 -3.937 1.00 0.00 C ATOM 1206 NE ARG B 102 11.282 0.342 -4.439 1.00 0.00 N ATOM 1207 CZ ARG B 102 10.207 0.155 -3.674 1.00 0.00 C ATOM 1208 NH1 ARG B 102 10.268 0.367 -2.363 1.00 0.00 N ATOM 1209 NH2 ARG B 102 9.068 -0.251 -4.218 1.00 0.00 N ATOM 0 H ARG B 102 15.367 3.061 -5.448 1.00 0.00 H new ATOM 0 HA ARG B 102 12.940 4.268 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG B 102 12.004 2.035 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG B 102 13.553 2.009 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG B 102 13.732 0.152 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG B 102 14.522 1.367 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG B 102 12.987 0.054 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG B 102 12.431 1.713 -3.355 1.00 0.00 H new ATOM 0 HE ARG B 102 11.198 0.151 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG B 102 11.142 0.675 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG B 102 9.441 0.222 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG B 102 9.014 -0.420 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG B 102 8.245 -0.394 -3.632 1.00 0.00 H new ATOM 1223 N VAL B 103 13.332 3.967 -3.150 1.00 0.00 N ATOM 1224 CA VAL B 103 12.718 4.252 -1.857 1.00 0.00 C ATOM 1225 C VAL B 103 12.281 5.719 -1.780 1.00 0.00 C ATOM 1226 O VAL B 103 11.159 6.019 -1.374 1.00 0.00 O ATOM 1227 CB VAL B 103 13.672 3.924 -0.685 1.00 0.00 C ATOM 1228 CG1 VAL B 103 12.923 3.858 0.632 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.396 2.614 -0.922 1.00 0.00 C ATOM 0 H VAL B 103 14.338 3.799 -3.116 1.00 0.00 H new ATOM 0 HA VAL B 103 11.841 3.611 -1.766 1.00 0.00 H new ATOM 0 HB VAL B 103 14.405 4.729 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.621 3.626 1.436 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.449 4.819 0.829 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.160 3.081 0.578 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.060 2.408 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL B 103 13.668 1.808 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL B 103 14.981 2.682 -1.839 1.00 0.00 H new ATOM 1239 N GLU B 104 13.158 6.632 -2.188 1.00 0.00 N ATOM 1240 CA GLU B 104 12.829 8.060 -2.170 1.00 0.00 C ATOM 1241 C GLU B 104 11.711 8.415 -3.146 1.00 0.00 C ATOM 1242 O GLU B 104 10.863 9.250 -2.828 1.00 0.00 O ATOM 1243 CB GLU B 104 14.064 8.928 -2.422 1.00 0.00 C ATOM 1244 CG GLU B 104 15.025 8.349 -3.432 1.00 0.00 C ATOM 1245 CD GLU B 104 16.151 9.297 -3.767 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.195 9.253 -3.085 1.00 0.00 O ATOM 1247 OE2 GLU B 104 16.001 10.096 -4.714 1.00 0.00 O ATOM 0 H GLU B 104 14.093 6.415 -2.532 1.00 0.00 H new ATOM 0 HA GLU B 104 12.462 8.275 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.741 9.911 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.590 9.076 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.440 7.420 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.482 8.098 -4.343 1.00 0.00 H new ATOM 1254 N VAL B 105 11.684 7.800 -4.326 1.00 0.00 N ATOM 1255 CA VAL B 105 10.558 8.016 -5.232 1.00 0.00 C ATOM 1256 C VAL B 105 9.274 7.493 -4.602 1.00 0.00 C ATOM 1257 O VAL B 105 8.251 8.160 -4.652 1.00 0.00 O ATOM 1258 CB VAL B 105 10.771 7.416 -6.653 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.695 6.221 -6.626 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.452 7.024 -7.298 1.00 0.00 C ATOM 0 H VAL B 105 12.405 7.166 -4.671 1.00 0.00 H new ATOM 0 HA VAL B 105 10.479 9.093 -5.381 1.00 0.00 H new ATOM 0 HB VAL B 105 11.236 8.200 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL B 105 11.817 5.832 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.666 6.521 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.269 5.446 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.640 6.609 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL B 105 8.953 6.277 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.815 7.904 -7.388 1.00 0.00 H new ATOM 1270 N GLN B 106 9.341 6.329 -3.964 1.00 0.00 N ATOM 1271 CA GLN B 106 8.186 5.784 -3.257 1.00 0.00 C ATOM 1272 C GLN B 106 7.720 6.744 -2.163 1.00 0.00 C ATOM 1273 O GLN B 106 6.521 6.921 -1.957 1.00 0.00 O ATOM 1274 CB GLN B 106 8.515 4.414 -2.661 1.00 0.00 C ATOM 1275 CG GLN B 106 8.638 3.313 -3.700 1.00 0.00 C ATOM 1276 CD GLN B 106 7.346 3.060 -4.449 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.532 2.236 -4.040 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.151 3.765 -5.551 1.00 0.00 N ATOM 0 H GLN B 106 10.178 5.747 -3.921 1.00 0.00 H new ATOM 0 HA GLN B 106 7.375 5.661 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.450 4.484 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.739 4.142 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.419 3.579 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN B 106 8.954 2.392 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN B 106 7.853 4.439 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.299 3.634 -6.096 1.00 0.00 H new ATOM 1287 N ASN B 107 8.677 7.381 -1.493 1.00 0.00 N ATOM 1288 CA ASN B 107 8.378 8.364 -0.448 1.00 0.00 C ATOM 1289 C ASN B 107 7.585 9.543 -1.022 1.00 0.00 C ATOM 1290 O ASN B 107 6.728 10.120 -0.357 1.00 0.00 O ATOM 1291 CB ASN B 107 9.679 8.867 0.183 1.00 0.00 C ATOM 1292 CG ASN B 107 9.440 9.788 1.365 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.434 9.678 2.064 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.369 10.697 1.602 1.00 0.00 N ATOM 0 H ASN B 107 9.673 7.234 -1.655 1.00 0.00 H new ATOM 0 HA ASN B 107 7.771 7.880 0.317 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.274 8.013 0.508 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.263 9.395 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.266 11.339 2.388 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.190 10.757 0.999 1.00 0.00 H new ATOM 1301 N ARG B 108 7.872 9.892 -2.267 1.00 0.00 N ATOM 1302 CA ARG B 108 7.185 10.985 -2.938 1.00 0.00 C ATOM 1303 C ARG B 108 5.864 10.516 -3.536 1.00 0.00 C ATOM 1304 O ARG B 108 4.827 11.160 -3.372 1.00 0.00 O ATOM 1305 CB ARG B 108 8.074 11.552 -4.037 1.00 0.00 C ATOM 1306 CG ARG B 108 9.328 12.221 -3.510 1.00 0.00 C ATOM 1307 CD ARG B 108 10.224 12.692 -4.638 1.00 0.00 C ATOM 1308 NE ARG B 108 11.459 13.280 -4.131 1.00 0.00 N ATOM 1309 CZ ARG B 108 12.659 13.067 -4.667 1.00 0.00 C ATOM 1310 NH1 ARG B 108 12.789 12.287 -5.735 1.00 0.00 N ATOM 1311 NH2 ARG B 108 13.733 13.634 -4.135 1.00 0.00 N ATOM 0 H ARG B 108 8.581 9.430 -2.836 1.00 0.00 H new ATOM 0 HA ARG B 108 6.972 11.760 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.358 10.748 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG B 108 7.503 12.275 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.053 13.070 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG B 108 9.875 11.523 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG B 108 10.461 11.852 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG B 108 9.692 13.426 -5.244 1.00 0.00 H new ATOM 0 HE ARG B 108 11.400 13.891 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG B 108 11.967 11.848 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG B 108 13.711 12.128 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG B 108 13.640 14.233 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG B 108 14.652 13.471 -4.546 1.00 0.00 H new ATOM 1325 N VAL B 109 5.930 9.395 -4.238 1.00 0.00 N ATOM 1326 CA VAL B 109 4.768 8.785 -4.873 1.00 0.00 C ATOM 1327 C VAL B 109 3.664 8.522 -3.861 1.00 0.00 C ATOM 1328 O VAL B 109 2.527 8.941 -4.051 1.00 0.00 O ATOM 1329 CB VAL B 109 5.158 7.463 -5.570 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.938 6.729 -6.113 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.149 7.741 -6.686 1.00 0.00 C ATOM 0 H VAL B 109 6.797 8.878 -4.385 1.00 0.00 H new ATOM 0 HA VAL B 109 4.396 9.487 -5.620 1.00 0.00 H new ATOM 0 HB VAL B 109 5.623 6.816 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.255 5.804 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.259 6.496 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.427 7.361 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.420 6.805 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.696 8.412 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.043 8.206 -6.271 1.00 0.00 H new ATOM 1341 N TYR B 110 4.008 7.845 -2.778 1.00 0.00 N ATOM 1342 CA TYR B 110 3.032 7.530 -1.743 1.00 0.00 C ATOM 1343 C TYR B 110 2.466 8.802 -1.113 1.00 0.00 C ATOM 1344 O TYR B 110 1.298 8.847 -0.728 1.00 0.00 O ATOM 1345 CB TYR B 110 3.645 6.636 -0.661 1.00 0.00 C ATOM 1346 CG TYR B 110 3.908 5.206 -1.093 1.00 0.00 C ATOM 1347 CD1 TYR B 110 4.961 4.483 -0.545 1.00 0.00 C ATOM 1348 CD2 TYR B 110 3.099 4.573 -2.033 1.00 0.00 C ATOM 1349 CE1 TYR B 110 5.200 3.175 -0.919 1.00 0.00 C ATOM 1350 CE2 TYR B 110 3.336 3.266 -2.412 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.384 2.572 -1.851 1.00 0.00 C ATOM 1352 OH TYR B 110 4.619 1.268 -2.220 1.00 0.00 O ATOM 0 H TYR B 110 4.951 7.503 -2.591 1.00 0.00 H new ATOM 0 HA TYR B 110 2.215 6.988 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.584 7.080 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR B 110 2.978 6.624 0.201 1.00 0.00 H new ATOM 0 HD1 TYR B 110 5.603 4.952 0.186 1.00 0.00 H new ATOM 0 HD2 TYR B 110 2.273 5.112 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR B 110 6.023 2.628 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR B 110 2.702 2.791 -3.145 1.00 0.00 H new ATOM 0 HH TYR B 110 5.309 1.244 -2.916 1.00 0.00 H new ATOM 1362 N LYS B 111 3.286 9.839 -1.029 1.00 0.00 N ATOM 1363 CA LYS B 111 2.852 11.106 -0.458 1.00 0.00 C ATOM 1364 C LYS B 111 1.816 11.774 -1.356 1.00 0.00 C ATOM 1365 O LYS B 111 0.855 12.374 -0.876 1.00 0.00 O ATOM 1366 CB LYS B 111 4.051 12.033 -0.250 1.00 0.00 C ATOM 1367 CG LYS B 111 3.712 13.322 0.478 1.00 0.00 C ATOM 1368 CD LYS B 111 4.958 14.153 0.740 1.00 0.00 C ATOM 1369 CE LYS B 111 4.637 15.419 1.518 1.00 0.00 C ATOM 1370 NZ LYS B 111 3.985 15.123 2.823 1.00 0.00 N ATOM 0 H LYS B 111 4.255 9.829 -1.348 1.00 0.00 H new ATOM 0 HA LYS B 111 2.391 10.907 0.510 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.817 11.500 0.313 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.482 12.278 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.004 13.901 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.222 13.090 1.423 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.682 13.558 1.297 1.00 0.00 H new ATOM 0 HD3 LYS B 111 5.425 14.418 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS B 111 5.555 15.981 1.691 1.00 0.00 H new ATOM 0 HE3 LYS B 111 3.982 16.054 0.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 4.028 15.965 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 2.991 14.862 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 4.480 14.335 3.287 1.00 0.00 H new ATOM 1384 N LYS B 112 2.009 11.644 -2.662 1.00 0.00 N ATOM 1385 CA LYS B 112 1.107 12.236 -3.635 1.00 0.00 C ATOM 1386 C LYS B 112 -0.224 11.492 -3.634 1.00 0.00 C ATOM 1387 O LYS B 112 -1.279 12.069 -3.913 1.00 0.00 O ATOM 1388 CB LYS B 112 1.770 12.205 -5.004 1.00 0.00 C ATOM 1389 CG LYS B 112 1.353 11.048 -5.855 1.00 0.00 C ATOM 1390 CD LYS B 112 2.314 10.853 -7.009 1.00 0.00 C ATOM 1391 CE LYS B 112 2.176 9.473 -7.610 1.00 0.00 C ATOM 1392 NZ LYS B 112 0.810 9.217 -8.130 1.00 0.00 N ATOM 0 H LYS B 112 2.789 11.130 -3.072 1.00 0.00 H new ATOM 0 HA LYS B 112 0.899 13.274 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS B 112 1.539 13.132 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS B 112 2.852 12.175 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS B 112 1.315 10.142 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS B 112 0.347 11.217 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS B 112 2.125 11.606 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS B 112 3.337 11.001 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS B 112 2.897 9.358 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS B 112 2.421 8.725 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 0.818 8.361 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 0.155 9.081 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 0.498 10.029 -8.700 1.00 0.00 H new ATOM 1406 N GLU B 113 -0.157 10.207 -3.305 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.353 9.385 -3.150 1.00 0.00 C ATOM 1408 C GLU B 113 -2.226 9.926 -2.027 1.00 0.00 C ATOM 1409 O GLU B 113 -3.438 10.046 -2.172 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.987 7.935 -2.848 1.00 0.00 C ATOM 1411 CG GLU B 113 -0.112 7.292 -3.908 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.715 7.358 -5.298 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -0.527 8.384 -5.988 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -1.370 6.378 -5.712 1.00 0.00 O ATOM 0 H GLU B 113 0.718 9.709 -3.140 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.903 9.421 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.471 7.892 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.903 7.353 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU B 113 0.860 7.785 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.062 6.249 -3.643 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.592 10.261 -0.908 1.00 0.00 N ATOM 1422 CA ILE B 114 -2.297 10.793 0.250 1.00 0.00 C ATOM 1423 C ILE B 114 -3.012 12.098 -0.079 1.00 0.00 C ATOM 1424 O ILE B 114 -4.077 12.384 0.463 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.318 11.010 1.414 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.693 9.669 1.787 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -2.020 11.644 2.611 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.337 9.760 2.883 1.00 0.00 C ATOM 0 H ILE B 114 -0.584 10.172 -0.780 1.00 0.00 H new ATOM 0 HA ILE B 114 -3.051 10.062 0.543 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.533 11.700 1.104 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.483 8.986 2.099 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.229 9.236 0.901 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.303 11.786 3.420 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.435 12.609 2.320 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.824 10.990 2.949 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.735 8.767 3.092 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.147 10.417 2.567 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.125 10.162 3.784 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.431 12.878 -0.976 1.00 0.00 N ATOM 1441 CA GLN B 115 -3.035 14.131 -1.397 1.00 0.00 C ATOM 1442 C GLN B 115 -4.263 13.856 -2.250 1.00 0.00 C ATOM 1443 O GLN B 115 -5.285 14.530 -2.129 1.00 0.00 O ATOM 1444 CB GLN B 115 -2.029 14.957 -2.177 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.697 15.083 -1.469 1.00 0.00 C ATOM 1446 CD GLN B 115 0.229 16.058 -2.158 1.00 0.00 C ATOM 1447 OE1 GLN B 115 1.002 15.685 -3.038 1.00 0.00 O ATOM 1448 NE2 GLN B 115 0.142 17.319 -1.778 1.00 0.00 N ATOM 0 H GLN B 115 -1.541 12.665 -1.427 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.340 14.692 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -1.873 14.502 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -2.439 15.952 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.863 15.407 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -0.220 14.104 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -0.513 17.586 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.730 18.026 -2.219 1.00 0.00 H new ATOM 1457 N ALA B 116 -4.151 12.857 -3.112 1.00 0.00 N ATOM 1458 CA ALA B 116 -5.290 12.392 -3.891 1.00 0.00 C ATOM 1459 C ALA B 116 -6.374 11.894 -2.949 1.00 0.00 C ATOM 1460 O ALA B 116 -7.544 12.262 -3.065 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.866 11.281 -4.838 1.00 0.00 C ATOM 0 H ALA B 116 -3.283 12.352 -3.290 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.679 13.219 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.729 10.944 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -4.100 11.655 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.465 10.446 -4.263 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.947 11.077 -1.996 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.818 10.535 -0.963 1.00 0.00 C ATOM 1469 C LEU B 117 -7.470 11.645 -0.152 1.00 0.00 C ATOM 1470 O LEU B 117 -8.596 11.501 0.302 1.00 0.00 O ATOM 1471 CB LEU B 117 -6.007 9.634 -0.028 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.988 8.138 -0.363 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -5.925 7.889 -1.860 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -4.800 7.487 0.313 1.00 0.00 C ATOM 0 H LEU B 117 -4.978 10.769 -1.918 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.604 9.958 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.978 9.994 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.398 9.752 0.983 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.917 7.702 0.003 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.913 6.816 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.797 8.333 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.019 8.339 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.785 6.423 0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -3.880 7.951 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.879 7.617 1.392 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.758 12.750 0.019 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.239 13.863 0.834 1.00 0.00 C ATOM 1488 C ASP B 118 -8.539 14.437 0.273 1.00 0.00 C ATOM 1489 O ASP B 118 -9.411 14.866 1.026 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.165 14.948 0.936 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.625 16.155 1.730 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -6.959 17.186 1.110 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -6.645 16.082 2.976 1.00 0.00 O ATOM 0 H ASP B 118 -5.839 12.902 -0.397 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.449 13.486 1.835 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.274 14.529 1.404 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.879 15.266 -0.067 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.677 14.427 -1.048 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.926 14.843 -1.682 1.00 0.00 C ATOM 1500 C ALA B 119 -11.030 13.838 -1.359 1.00 0.00 C ATOM 1501 O ALA B 119 -12.181 14.199 -1.083 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.742 14.972 -3.185 1.00 0.00 C ATOM 0 H ALA B 119 -7.946 14.138 -1.698 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.214 15.819 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.682 15.283 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.973 15.716 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.438 14.010 -3.598 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.660 12.570 -1.377 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.557 11.503 -1.000 1.00 0.00 C ATOM 1510 C GLU B 120 -11.890 11.572 0.492 1.00 0.00 C ATOM 1511 O GLU B 120 -12.954 11.141 0.913 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.929 10.162 -1.336 1.00 0.00 C ATOM 1513 CG GLU B 120 -11.253 9.623 -2.720 1.00 0.00 C ATOM 1514 CD GLU B 120 -11.079 10.635 -3.827 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -9.957 10.787 -4.336 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -12.086 11.258 -4.213 1.00 0.00 O ATOM 0 H GLU B 120 -9.730 12.256 -1.654 1.00 0.00 H new ATOM 0 HA GLU B 120 -12.485 11.616 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.847 10.252 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.252 9.432 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.614 8.763 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -12.282 9.264 -2.728 1.00 0.00 H new ATOM 1523 N ILE B 121 -10.975 12.102 1.290 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.236 12.320 2.709 1.00 0.00 C ATOM 1525 C ILE B 121 -12.499 13.156 2.888 1.00 0.00 C ATOM 1526 O ILE B 121 -13.275 12.930 3.812 1.00 0.00 O ATOM 1527 CB ILE B 121 -10.028 12.992 3.420 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.206 11.946 4.178 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -10.470 14.104 4.364 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.584 10.895 3.289 1.00 0.00 C ATOM 0 H ILE B 121 -10.046 12.389 0.982 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.386 11.346 3.175 1.00 0.00 H new ATOM 0 HB ILE B 121 -9.405 13.445 2.649 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -8.416 12.452 4.734 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -9.847 11.455 4.910 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -9.595 14.547 4.840 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.003 14.870 3.800 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -11.129 13.692 5.128 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -8.018 10.191 3.899 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.369 10.362 2.752 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -7.916 11.373 2.573 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.715 14.092 1.972 1.00 0.00 N ATOM 1543 CA ARG B 122 -13.905 14.929 1.997 1.00 0.00 C ATOM 1544 C ARG B 122 -15.167 14.079 1.842 1.00 0.00 C ATOM 1545 O ARG B 122 -16.161 14.297 2.536 1.00 0.00 O ATOM 1546 CB ARG B 122 -13.827 15.978 0.889 1.00 0.00 C ATOM 1547 CG ARG B 122 -14.980 16.965 0.888 1.00 0.00 C ATOM 1548 CD ARG B 122 -14.812 17.998 -0.210 1.00 0.00 C ATOM 1549 NE ARG B 122 -15.922 18.946 -0.248 1.00 0.00 N ATOM 1550 CZ ARG B 122 -16.183 19.740 -1.283 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -15.425 19.685 -2.375 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -17.203 20.587 -1.228 1.00 0.00 N ATOM 0 H ARG B 122 -12.078 14.290 1.200 1.00 0.00 H new ATOM 0 HA ARG B 122 -13.955 15.436 2.960 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.892 16.528 0.990 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.796 15.471 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -15.920 16.431 0.749 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.037 17.464 1.856 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -13.879 18.540 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -14.734 17.493 -1.173 1.00 0.00 H new ATOM 0 HE ARG B 122 -16.533 19.003 0.567 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -14.642 19.033 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -15.627 20.295 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -17.786 20.629 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -17.404 21.196 -2.021 1.00 0.00 H new ATOM 1566 N LYS B 123 -15.116 13.090 0.948 1.00 0.00 N ATOM 1567 CA LYS B 123 -16.257 12.194 0.751 1.00 0.00 C ATOM 1568 C LYS B 123 -16.414 11.279 1.960 1.00 0.00 C ATOM 1569 O LYS B 123 -17.515 10.853 2.301 1.00 0.00 O ATOM 1570 CB LYS B 123 -16.083 11.364 -0.525 1.00 0.00 C ATOM 1571 CG LYS B 123 -15.233 10.108 -0.349 1.00 0.00 C ATOM 1572 CD LYS B 123 -14.777 9.512 -1.661 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.879 10.527 -2.770 1.00 0.00 C ATOM 1574 NZ LYS B 123 -14.476 9.996 -4.098 1.00 0.00 N ATOM 0 H LYS B 123 -14.309 12.891 0.357 1.00 0.00 H new ATOM 0 HA LYS B 123 -17.158 12.798 0.643 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -17.067 11.073 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.629 11.991 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.359 10.350 0.257 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.807 9.363 0.202 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.747 9.166 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -15.386 8.640 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.906 10.888 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -14.253 11.385 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -13.697 10.570 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -14.162 9.010 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -15.287 10.036 -4.748 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.298 10.975 2.597 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.313 10.214 3.830 1.00 0.00 C ATOM 1590 C LEU B 124 -15.938 11.027 4.956 1.00 0.00 C ATOM 1591 O LEU B 124 -16.635 10.481 5.805 1.00 0.00 O ATOM 1592 CB LEU B 124 -13.898 9.786 4.214 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.266 8.723 3.312 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -11.872 8.375 3.810 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.145 7.489 3.260 1.00 0.00 C ATOM 0 H LEU B 124 -14.367 11.245 2.278 1.00 0.00 H new ATOM 0 HA LEU B 124 -15.917 9.321 3.670 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.257 10.668 4.212 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -13.916 9.407 5.236 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.179 9.122 2.301 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.432 7.618 3.161 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.248 9.269 3.800 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.935 7.988 4.827 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.684 6.741 2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.260 7.081 4.264 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -15.124 7.756 2.863 1.00 0.00 H new ATOM 1607 N GLU B 125 -15.702 12.334 4.950 1.00 0.00 N ATOM 1608 CA GLU B 125 -16.254 13.209 5.974 1.00 0.00 C ATOM 1609 C GLU B 125 -17.772 13.254 5.901 1.00 0.00 C ATOM 1610 O GLU B 125 -18.438 13.258 6.932 1.00 0.00 O ATOM 1611 CB GLU B 125 -15.700 14.626 5.858 1.00 0.00 C ATOM 1612 CG GLU B 125 -14.196 14.724 6.037 1.00 0.00 C ATOM 1613 CD GLU B 125 -13.719 16.158 6.019 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -13.492 16.721 7.111 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -13.596 16.740 4.922 1.00 0.00 O ATOM 0 H GLU B 125 -15.133 12.809 4.249 1.00 0.00 H new ATOM 0 HA GLU B 125 -15.956 12.794 6.937 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -15.965 15.028 4.880 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -16.185 15.256 6.604 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -13.912 14.259 6.981 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -13.699 14.166 5.244 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.327 13.288 4.691 1.00 0.00 N ATOM 1623 CA ARG B 126 -19.778 13.292 4.548 1.00 0.00 C ATOM 1624 C ARG B 126 -20.348 11.967 5.045 1.00 0.00 C ATOM 1625 O ARG B 126 -21.441 11.918 5.595 1.00 0.00 O ATOM 1626 CB ARG B 126 -20.213 13.586 3.103 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.936 12.472 2.110 1.00 0.00 C ATOM 1628 CD ARG B 126 -20.295 12.891 0.694 1.00 0.00 C ATOM 1629 NE ARG B 126 -20.065 11.819 -0.273 1.00 0.00 N ATOM 1630 CZ ARG B 126 -19.480 11.993 -1.459 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.038 13.192 -1.821 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -19.337 10.962 -2.285 1.00 0.00 N ATOM 0 H ARG B 126 -17.806 13.313 3.814 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.180 14.099 5.160 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -21.282 13.799 3.098 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -19.706 14.489 2.764 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.882 12.197 2.154 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -20.508 11.586 2.385 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -21.342 13.190 0.660 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.705 13.764 0.414 1.00 0.00 H new ATOM 0 HE ARG B 126 -20.371 10.878 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -19.145 13.987 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -18.592 13.318 -2.729 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -19.674 10.039 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -18.890 11.094 -3.192 1.00 0.00 H new ATOM 1646 N LEU B 127 -19.584 10.893 4.865 1.00 0.00 N ATOM 1647 CA LEU B 127 -19.908 9.609 5.478 1.00 0.00 C ATOM 1648 C LEU B 127 -19.916 9.742 6.998 1.00 0.00 C ATOM 1649 O LEU B 127 -20.913 9.440 7.658 1.00 0.00 O ATOM 1650 CB LEU B 127 -18.873 8.559 5.054 1.00 0.00 C ATOM 1651 CG LEU B 127 -18.908 7.235 5.822 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -20.100 6.396 5.401 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -17.610 6.468 5.621 1.00 0.00 C ATOM 0 H LEU B 127 -18.735 10.887 4.299 1.00 0.00 H new ATOM 0 HA LEU B 127 -20.897 9.295 5.145 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -19.014 8.346 3.994 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -17.879 8.993 5.162 1.00 0.00 H new ATOM 0 HG LEU B 127 -19.014 7.459 6.883 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.102 5.461 5.961 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -21.020 6.943 5.605 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -20.035 6.180 4.335 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -17.652 5.530 6.174 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -17.472 6.258 4.560 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -16.774 7.066 5.984 1.00 0.00 H new ATOM 1665 N LEU B 128 -18.788 10.199 7.525 1.00 0.00 N ATOM 1666 CA LEU B 128 -18.597 10.409 8.957 1.00 0.00 C ATOM 1667 C LEU B 128 -19.713 11.257 9.572 1.00 0.00 C ATOM 1668 O LEU B 128 -20.481 10.783 10.407 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.251 11.105 9.191 1.00 0.00 C ATOM 1670 CG LEU B 128 -16.029 10.350 8.665 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -14.754 11.148 8.897 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -15.934 8.978 9.307 1.00 0.00 C ATOM 0 H LEU B 128 -17.969 10.438 6.965 1.00 0.00 H new ATOM 0 HA LEU B 128 -18.617 9.432 9.439 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.281 12.088 8.721 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.125 11.268 10.261 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.148 10.217 7.590 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -13.900 10.589 8.514 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -14.824 12.104 8.378 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -14.624 11.323 9.965 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -15.059 8.455 8.921 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -15.844 9.087 10.388 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -16.831 8.404 9.074 1.00 0.00 H new ATOM 1684 N GLU B 129 -19.796 12.501 9.128 1.00 0.00 N ATOM 1685 CA GLU B 129 -20.677 13.496 9.726 1.00 0.00 C ATOM 1686 C GLU B 129 -22.155 13.164 9.544 1.00 0.00 C ATOM 1687 O GLU B 129 -22.964 13.424 10.432 1.00 0.00 O ATOM 1688 CB GLU B 129 -20.361 14.859 9.124 1.00 0.00 C ATOM 1689 CG GLU B 129 -18.949 15.319 9.430 1.00 0.00 C ATOM 1690 CD GLU B 129 -18.581 16.605 8.724 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -17.544 16.627 8.028 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -19.333 17.595 8.843 1.00 0.00 O ATOM 0 H GLU B 129 -19.253 12.852 8.339 1.00 0.00 H new ATOM 0 HA GLU B 129 -20.495 13.502 10.801 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -20.499 14.816 8.044 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -21.069 15.594 9.506 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -18.843 15.458 10.506 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -18.247 14.537 9.139 1.00 0.00 H new ATOM 1699 N SER B 130 -22.508 12.591 8.404 1.00 0.00 N ATOM 1700 CA SER B 130 -23.904 12.261 8.135 1.00 0.00 C ATOM 1701 C SER B 130 -24.303 10.970 8.843 1.00 0.00 C ATOM 1702 O SER B 130 -25.489 10.665 8.999 1.00 0.00 O ATOM 1703 CB SER B 130 -24.150 12.138 6.627 1.00 0.00 C ATOM 1704 OG SER B 130 -25.512 11.867 6.340 1.00 0.00 O ATOM 0 H SER B 130 -21.858 12.346 7.657 1.00 0.00 H new ATOM 0 HA SER B 130 -24.522 13.071 8.523 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.850 13.062 6.132 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.527 11.342 6.220 1.00 0.00 H new ATOM 0 HG SER B 130 -25.634 11.796 5.370 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.298 10.219 9.283 1.00 0.00 N ATOM 1711 CA GLY B 131 -23.541 8.960 9.954 1.00 0.00 C ATOM 1712 C GLY B 131 -24.128 7.924 9.023 1.00 0.00 C ATOM 1713 O GLY B 131 -24.860 7.034 9.460 1.00 0.00 O ATOM 0 H GLY B 131 -22.313 10.465 9.184 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -22.606 8.585 10.370 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -24.220 9.121 10.791 1.00 0.00 H new ATOM 1717 N LEU B 132 -23.800 8.039 7.739 1.00 0.00 N ATOM 1718 CA LEU B 132 -24.333 7.152 6.715 1.00 0.00 C ATOM 1719 C LEU B 132 -23.998 5.695 7.022 1.00 0.00 C ATOM 1720 O LEU B 132 -24.841 4.813 6.853 1.00 0.00 O ATOM 1721 CB LEU B 132 -23.769 7.558 5.354 1.00 0.00 C ATOM 1722 CG LEU B 132 -24.099 6.623 4.194 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -25.579 6.690 3.842 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -23.236 6.973 2.997 1.00 0.00 C ATOM 0 H LEU B 132 -23.159 8.748 7.382 1.00 0.00 H new ATOM 0 HA LEU B 132 -25.419 7.243 6.699 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -24.140 8.554 5.110 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -22.685 7.633 5.439 1.00 0.00 H new ATOM 0 HG LEU B 132 -23.883 5.598 4.495 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -25.787 6.014 3.012 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -26.173 6.395 4.707 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -25.839 7.709 3.554 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -23.473 6.304 2.170 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -23.429 8.003 2.698 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -22.184 6.864 3.262 1.00 0.00 H new ATOM 1736 N THR B 133 -22.774 5.465 7.493 1.00 0.00 N ATOM 1737 CA THR B 133 -22.319 4.134 7.887 1.00 0.00 C ATOM 1738 C THR B 133 -22.138 3.230 6.668 1.00 0.00 C ATOM 1739 O THR B 133 -23.111 2.573 6.254 1.00 0.00 O ATOM 1740 CB THR B 133 -23.297 3.473 8.884 1.00 0.00 C ATOM 1741 OG1 THR B 133 -23.643 4.406 9.920 1.00 0.00 O ATOM 1742 CG2 THR B 133 -22.683 2.226 9.507 1.00 0.00 C ATOM 1743 OXT THR B 133 -21.018 3.185 6.121 1.00 0.00 O ATOM 0 H THR B 133 -22.071 6.195 7.612 1.00 0.00 H new ATOM 0 HA THR B 133 -21.355 4.260 8.380 1.00 0.00 H new ATOM 0 HB THR B 133 -24.194 3.181 8.337 1.00 0.00 H new ATOM 0 HG1 THR B 133 -24.221 5.106 9.550 1.00 0.00 H new ATOM 0 HG21 THR B 133 -23.392 1.781 10.205 1.00 0.00 H new ATOM 0 HG22 THR B 133 -22.445 1.507 8.723 1.00 0.00 H new ATOM 0 HG23 THR B 133 -21.771 2.497 10.040 1.00 0.00 H new TER 1751 THR B 133