USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 SER OG : rot -69:sc= 1.28 USER MOD Set 1.2: A 151 THR OG1 : rot 115:sc= 0.194 USER MOD Set 2.1: A 135 HIS : no HD1:sc= -0.835 K(o=-1.9,f=-7.5!) USER MOD Set 2.2: A 159 ASN : amide:sc= -1.03 K(o=-1.9,f=-4.6!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -5:sc= 1.1 USER MOD Single : A 108 ASN :FLIP amide:sc= -1.45 F(o=-2.5!,f=-1.4) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -0.0328 (180deg=-0.219) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 89:sc= -0.0592 USER MOD Single : A 145 SER OG : rot 33:sc= 0.0484 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -127:sc= -2.57 (180deg=-6.29!) USER MOD Single : A 155 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.65) USER MOD Single : A 157 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 16.180 14.189 -12.882 1.00 0.00 N ATOM 2 CA GLU A 92 16.781 14.290 -14.237 1.00 0.00 C ATOM 3 C GLU A 92 17.171 12.914 -14.768 1.00 0.00 C ATOM 4 O GLU A 92 16.985 12.617 -15.948 1.00 0.00 O ATOM 5 CB GLU A 92 18.011 15.198 -14.158 1.00 0.00 C ATOM 6 CG GLU A 92 18.680 15.439 -15.501 1.00 0.00 C ATOM 7 CD GLU A 92 19.873 16.370 -15.399 1.00 0.00 C ATOM 8 OE1 GLU A 92 19.689 17.525 -14.963 1.00 0.00 O ATOM 9 OE2 GLU A 92 20.993 15.942 -15.753 1.00 0.00 O ATOM 0 HA GLU A 92 16.049 14.712 -14.926 1.00 0.00 H new ATOM 0 HB2 GLU A 92 17.717 16.157 -13.731 1.00 0.00 H new ATOM 0 HB3 GLU A 92 18.736 14.754 -13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 92 19.003 14.485 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.953 15.861 -16.195 1.00 0.00 H new ATOM 18 N ALA A 93 17.710 12.079 -13.884 1.00 0.00 N ATOM 19 CA ALA A 93 18.126 10.731 -14.254 1.00 0.00 C ATOM 20 C ALA A 93 18.493 9.919 -13.017 1.00 0.00 C ATOM 21 O ALA A 93 19.246 10.384 -12.161 1.00 0.00 O ATOM 22 CB ALA A 93 19.303 10.786 -15.217 1.00 0.00 C ATOM 0 H ALA A 93 17.869 12.314 -12.904 1.00 0.00 H new ATOM 0 HA ALA A 93 17.289 10.240 -14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.602 9.772 -15.484 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.012 11.327 -16.117 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.139 11.298 -14.741 1.00 0.00 H new ATOM 28 N GLU A 94 17.954 8.705 -12.928 1.00 0.00 N ATOM 29 CA GLU A 94 18.225 7.833 -11.790 1.00 0.00 C ATOM 30 C GLU A 94 17.615 6.445 -12.019 1.00 0.00 C ATOM 31 O GLU A 94 17.826 5.839 -13.070 1.00 0.00 O ATOM 32 CB GLU A 94 17.679 8.464 -10.503 1.00 0.00 C ATOM 33 CG GLU A 94 18.202 7.819 -9.225 1.00 0.00 C ATOM 34 CD GLU A 94 19.704 7.958 -9.064 1.00 0.00 C ATOM 35 OE1 GLU A 94 20.446 7.429 -9.918 1.00 0.00 O ATOM 36 OE2 GLU A 94 20.137 8.598 -8.084 1.00 0.00 O ATOM 0 H GLU A 94 17.329 8.305 -13.628 1.00 0.00 H new ATOM 0 HA GLU A 94 19.304 7.714 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.934 9.524 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.591 8.398 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.706 8.272 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.938 6.761 -9.224 1.00 0.00 H new ATOM 43 N PHE A 95 16.866 5.946 -11.035 1.00 0.00 N ATOM 44 CA PHE A 95 16.240 4.632 -11.133 1.00 0.00 C ATOM 45 C PHE A 95 15.401 4.341 -9.893 1.00 0.00 C ATOM 46 O PHE A 95 15.859 4.533 -8.765 1.00 0.00 O ATOM 47 CB PHE A 95 17.310 3.547 -11.304 1.00 0.00 C ATOM 48 CG PHE A 95 16.777 2.141 -11.250 1.00 0.00 C ATOM 49 CD1 PHE A 95 15.681 1.765 -12.012 1.00 0.00 C ATOM 50 CD2 PHE A 95 17.376 1.195 -10.434 1.00 0.00 C ATOM 51 CE1 PHE A 95 15.194 0.472 -11.960 1.00 0.00 C ATOM 52 CE2 PHE A 95 16.894 -0.099 -10.379 1.00 0.00 C ATOM 53 CZ PHE A 95 15.801 -0.461 -11.142 1.00 0.00 C ATOM 0 H PHE A 95 16.679 6.435 -10.160 1.00 0.00 H new ATOM 0 HA PHE A 95 15.586 4.629 -12.005 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.813 3.696 -12.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.062 3.669 -10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 95 15.202 2.490 -12.653 1.00 0.00 H new ATOM 0 HD2 PHE A 95 18.230 1.472 -9.834 1.00 0.00 H new ATOM 0 HE1 PHE A 95 14.340 0.192 -12.558 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.372 -0.827 -9.740 1.00 0.00 H new ATOM 0 HZ PHE A 95 15.422 -1.471 -11.099 1.00 0.00 H new ATOM 63 N VAL A 96 14.174 3.873 -10.104 1.00 0.00 N ATOM 64 CA VAL A 96 13.282 3.553 -8.996 1.00 0.00 C ATOM 65 C VAL A 96 13.914 2.504 -8.086 1.00 0.00 C ATOM 66 O VAL A 96 14.575 1.579 -8.558 1.00 0.00 O ATOM 67 CB VAL A 96 11.916 3.042 -9.496 1.00 0.00 C ATOM 68 CG1 VAL A 96 11.234 4.097 -10.354 1.00 0.00 C ATOM 69 CG2 VAL A 96 12.075 1.740 -10.269 1.00 0.00 C ATOM 0 H VAL A 96 13.777 3.708 -11.029 1.00 0.00 H new ATOM 0 HA VAL A 96 13.121 4.473 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 96 11.287 2.845 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.271 3.719 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.080 5.001 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.862 4.328 -11.215 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.098 1.399 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.724 1.904 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.517 0.983 -9.620 1.00 0.00 H new ATOM 79 N ARG A 97 13.723 2.659 -6.779 1.00 0.00 N ATOM 80 CA ARG A 97 14.295 1.726 -5.815 1.00 0.00 C ATOM 81 C ARG A 97 13.633 1.857 -4.449 1.00 0.00 C ATOM 82 O ARG A 97 14.312 1.970 -3.432 1.00 0.00 O ATOM 83 CB ARG A 97 15.797 1.972 -5.676 1.00 0.00 C ATOM 84 CG ARG A 97 16.138 3.380 -5.209 1.00 0.00 C ATOM 85 CD ARG A 97 17.636 3.573 -5.056 1.00 0.00 C ATOM 86 NE ARG A 97 17.967 4.919 -4.599 1.00 0.00 N ATOM 87 CZ ARG A 97 19.203 5.319 -4.314 1.00 0.00 C ATOM 88 NH1 ARG A 97 20.219 4.474 -4.422 1.00 0.00 N ATOM 89 NH2 ARG A 97 19.422 6.565 -3.914 1.00 0.00 N ATOM 0 H ARG A 97 13.180 3.417 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 97 14.117 0.717 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.212 1.253 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.278 1.789 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.749 4.105 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.646 3.577 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.026 2.843 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.126 3.383 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 97 17.207 5.591 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.054 3.514 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.166 4.784 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.642 7.217 -3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.370 6.871 -3.696 1.00 0.00 H new ATOM 103 N ILE A 98 12.309 1.835 -4.428 1.00 0.00 N ATOM 104 CA ILE A 98 11.564 1.946 -3.183 1.00 0.00 C ATOM 105 C ILE A 98 10.160 1.389 -3.342 1.00 0.00 C ATOM 106 O ILE A 98 9.192 1.964 -2.843 1.00 0.00 O ATOM 107 CB ILE A 98 11.471 3.405 -2.698 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.056 4.316 -3.853 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.789 3.861 -2.087 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.093 5.784 -3.505 1.00 0.00 C ATOM 0 H ILE A 98 11.727 1.741 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 98 12.109 1.365 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 98 10.710 3.465 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.715 4.135 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.047 4.051 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.697 4.894 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.035 3.225 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.580 3.791 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.787 6.371 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.413 5.979 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.106 6.064 -3.217 1.00 0.00 H new ATOM 122 N CYS A 99 10.065 0.260 -4.034 1.00 0.00 N ATOM 123 CA CYS A 99 8.789 -0.396 -4.261 1.00 0.00 C ATOM 124 C CYS A 99 7.849 0.500 -5.068 1.00 0.00 C ATOM 125 O CYS A 99 7.722 1.693 -4.792 1.00 0.00 O ATOM 126 CB CYS A 99 8.169 -0.767 -2.919 1.00 0.00 C ATOM 127 SG CYS A 99 9.144 -1.973 -1.963 1.00 0.00 S ATOM 0 H CYS A 99 10.863 -0.220 -4.449 1.00 0.00 H new ATOM 0 HA CYS A 99 8.953 -1.303 -4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.045 0.138 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.173 -1.174 -3.090 1.00 0.00 H new ATOM 132 N SER A 100 7.206 -0.084 -6.079 1.00 0.00 N ATOM 133 CA SER A 100 6.288 0.655 -6.944 1.00 0.00 C ATOM 134 C SER A 100 5.428 1.635 -6.149 1.00 0.00 C ATOM 135 O SER A 100 4.673 1.239 -5.262 1.00 0.00 O ATOM 136 CB SER A 100 5.391 -0.316 -7.715 1.00 0.00 C ATOM 137 OG SER A 100 6.160 -1.188 -8.524 1.00 0.00 O ATOM 0 H SER A 100 7.305 -1.070 -6.319 1.00 0.00 H new ATOM 0 HA SER A 100 6.890 1.231 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.793 -0.898 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.695 0.245 -8.339 1.00 0.00 H new ATOM 0 HG SER A 100 5.564 -1.799 -9.005 1.00 0.00 H new ATOM 143 N LYS A 101 5.548 2.917 -6.483 1.00 0.00 N ATOM 144 CA LYS A 101 4.783 3.962 -5.811 1.00 0.00 C ATOM 145 C LYS A 101 3.326 3.948 -6.267 1.00 0.00 C ATOM 146 O LYS A 101 2.480 4.630 -5.695 1.00 0.00 O ATOM 147 CB LYS A 101 5.401 5.334 -6.085 1.00 0.00 C ATOM 148 CG LYS A 101 6.852 5.448 -5.641 1.00 0.00 C ATOM 149 CD LYS A 101 7.406 6.843 -5.885 1.00 0.00 C ATOM 150 CE LYS A 101 6.679 7.889 -5.054 1.00 0.00 C ATOM 151 NZ LYS A 101 7.203 9.260 -5.301 1.00 0.00 N ATOM 0 H LYS A 101 6.169 3.257 -7.217 1.00 0.00 H new ATOM 0 HA LYS A 101 4.813 3.766 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.339 5.545 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.813 6.097 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.928 5.206 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.456 4.717 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.469 6.860 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.316 7.091 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.614 7.861 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.781 7.647 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.680 9.942 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.213 9.295 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.082 9.502 -6.305 1.00 0.00 H new ATOM 165 N SER A 102 3.046 3.165 -7.304 1.00 0.00 N ATOM 166 CA SER A 102 1.696 3.058 -7.845 1.00 0.00 C ATOM 167 C SER A 102 0.722 2.574 -6.779 1.00 0.00 C ATOM 168 O SER A 102 -0.490 2.745 -6.903 1.00 0.00 O ATOM 169 CB SER A 102 1.679 2.105 -9.042 1.00 0.00 C ATOM 170 OG SER A 102 0.376 1.986 -9.583 1.00 0.00 O ATOM 0 H SER A 102 3.739 2.594 -7.788 1.00 0.00 H new ATOM 0 HA SER A 102 1.382 4.048 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.362 2.469 -9.809 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.039 1.123 -8.734 1.00 0.00 H new ATOM 0 HG SER A 102 0.394 1.373 -10.347 1.00 0.00 H new ATOM 176 N TYR A 103 1.264 1.957 -5.737 1.00 0.00 N ATOM 177 CA TYR A 103 0.458 1.434 -4.649 1.00 0.00 C ATOM 178 C TYR A 103 -0.266 2.542 -3.883 1.00 0.00 C ATOM 179 O TYR A 103 -1.457 2.421 -3.593 1.00 0.00 O ATOM 180 CB TYR A 103 1.342 0.626 -3.705 1.00 0.00 C ATOM 181 CG TYR A 103 1.709 -0.743 -4.238 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.279 -0.895 -5.497 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.482 -1.885 -3.479 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.612 -2.145 -5.983 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.812 -3.138 -3.959 1.00 0.00 C ATOM 186 CZ TYR A 103 2.377 -3.262 -5.210 1.00 0.00 C ATOM 187 OH TYR A 103 2.706 -4.509 -5.692 1.00 0.00 O ATOM 0 H TYR A 103 2.267 1.807 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.309 0.790 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.256 1.187 -3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.828 0.509 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.465 -0.022 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.040 -1.791 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.054 -2.246 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.628 -4.016 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 103 2.477 -5.189 -5.024 1.00 0.00 H new ATOM 197 N LEU A 104 0.449 3.613 -3.545 1.00 0.00 N ATOM 198 CA LEU A 104 -0.152 4.720 -2.803 1.00 0.00 C ATOM 199 C LEU A 104 -1.017 5.608 -3.703 1.00 0.00 C ATOM 200 O LEU A 104 -1.119 6.816 -3.487 1.00 0.00 O ATOM 201 CB LEU A 104 0.934 5.540 -2.093 1.00 0.00 C ATOM 202 CG LEU A 104 2.141 5.941 -2.947 1.00 0.00 C ATOM 203 CD1 LEU A 104 1.734 6.926 -4.030 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.230 6.543 -2.072 1.00 0.00 C ATOM 0 H LEU A 104 1.436 3.738 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.813 4.294 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.476 6.447 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.293 4.967 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 104 2.531 5.044 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.608 7.196 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.985 6.468 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.317 7.822 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.082 6.823 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.843 7.427 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.547 5.810 -1.330 1.00 0.00 H new ATOM 216 N THR A 105 -1.655 4.992 -4.696 1.00 0.00 N ATOM 217 CA THR A 105 -2.527 5.708 -5.622 1.00 0.00 C ATOM 218 C THR A 105 -3.673 4.807 -6.077 1.00 0.00 C ATOM 219 O THR A 105 -3.836 4.540 -7.268 1.00 0.00 O ATOM 220 CB THR A 105 -1.763 6.216 -6.862 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.120 5.124 -7.526 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.727 7.261 -6.475 1.00 0.00 C ATOM 0 H THR A 105 -1.583 3.991 -4.880 1.00 0.00 H new ATOM 0 HA THR A 105 -2.920 6.571 -5.085 1.00 0.00 H new ATOM 0 HB THR A 105 -2.484 6.677 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.235 4.306 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.203 7.602 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.224 8.107 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.011 6.823 -5.779 1.00 0.00 H new ATOM 230 N LEU A 106 -4.453 4.324 -5.114 1.00 0.00 N ATOM 231 CA LEU A 106 -5.571 3.432 -5.403 1.00 0.00 C ATOM 232 C LEU A 106 -6.881 4.203 -5.539 1.00 0.00 C ATOM 233 O LEU A 106 -7.183 5.083 -4.733 1.00 0.00 O ATOM 234 CB LEU A 106 -5.707 2.390 -4.291 1.00 0.00 C ATOM 235 CG LEU A 106 -6.773 1.316 -4.526 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.479 0.539 -5.801 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.850 0.375 -3.334 1.00 0.00 C ATOM 0 H LEU A 106 -4.331 4.536 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.365 2.937 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.743 1.899 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.934 2.906 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.738 1.809 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.248 -0.219 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.473 1.222 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.505 0.057 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.612 -0.382 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.884 -0.110 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.109 0.941 -2.439 1.00 0.00 H new ATOM 249 N GLU A 107 -7.658 3.855 -6.561 1.00 0.00 N ATOM 250 CA GLU A 107 -8.946 4.500 -6.801 1.00 0.00 C ATOM 251 C GLU A 107 -9.923 4.167 -5.679 1.00 0.00 C ATOM 252 O GLU A 107 -9.978 3.029 -5.212 1.00 0.00 O ATOM 253 CB GLU A 107 -9.522 4.056 -8.148 1.00 0.00 C ATOM 254 CG GLU A 107 -10.882 4.660 -8.455 1.00 0.00 C ATOM 255 CD GLU A 107 -11.436 4.206 -9.793 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.752 3.423 -10.485 1.00 0.00 O ATOM 257 OE2 GLU A 107 -12.554 4.635 -10.148 1.00 0.00 O ATOM 0 H GLU A 107 -7.418 3.130 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.793 5.579 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.825 4.329 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.605 2.969 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.582 4.388 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.802 5.747 -8.450 1.00 0.00 H new ATOM 264 N ASN A 108 -10.685 5.167 -5.244 1.00 0.00 N ATOM 265 CA ASN A 108 -11.653 4.977 -4.169 1.00 0.00 C ATOM 266 C ASN A 108 -10.960 4.437 -2.922 1.00 0.00 C ATOM 267 O ASN A 108 -11.488 3.566 -2.230 1.00 0.00 O ATOM 268 CB ASN A 108 -12.765 4.022 -4.609 1.00 0.00 C ATOM 269 CG ASN A 108 -13.528 4.537 -5.813 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.522 3.763 -6.892 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.119 5.616 -5.774 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.651 6.115 -5.619 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.099 5.943 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.332 3.050 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.458 3.870 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.097 6.179 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.630 5.947 -6.592 1.00 0.00 H new ATOM 278 N GLY A 109 -9.770 4.960 -2.649 1.00 0.00 N ATOM 279 CA GLY A 109 -9.008 4.525 -1.496 1.00 0.00 C ATOM 280 C GLY A 109 -7.776 5.377 -1.269 1.00 0.00 C ATOM 281 O GLY A 109 -7.399 6.176 -2.127 1.00 0.00 O ATOM 0 H GLY A 109 -9.318 5.682 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.641 4.561 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.709 3.486 -1.631 1.00 0.00 H new ATOM 285 N LYS A 110 -7.148 5.209 -0.111 1.00 0.00 N ATOM 286 CA LYS A 110 -5.951 5.970 0.229 1.00 0.00 C ATOM 287 C LYS A 110 -4.951 5.097 0.975 1.00 0.00 C ATOM 288 O LYS A 110 -5.328 4.292 1.825 1.00 0.00 O ATOM 289 CB LYS A 110 -6.311 7.187 1.082 1.00 0.00 C ATOM 290 CG LYS A 110 -7.211 8.188 0.374 1.00 0.00 C ATOM 291 CD LYS A 110 -7.481 9.408 1.242 1.00 0.00 C ATOM 292 CE LYS A 110 -6.201 10.167 1.556 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.528 10.658 0.322 1.00 0.00 N ATOM 0 H LYS A 110 -7.448 4.552 0.609 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.495 6.311 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.806 6.848 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.393 7.690 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.744 8.501 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.155 7.709 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.181 10.070 0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.957 9.096 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.430 11.012 2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.520 9.518 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.782 11.335 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.107 9.855 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.225 11.128 -0.290 1.00 0.00 H new ATOM 307 N VAL A 111 -3.675 5.258 0.647 1.00 0.00 N ATOM 308 CA VAL A 111 -2.623 4.480 1.285 1.00 0.00 C ATOM 309 C VAL A 111 -1.641 5.386 2.024 1.00 0.00 C ATOM 310 O VAL A 111 -1.090 6.322 1.444 1.00 0.00 O ATOM 311 CB VAL A 111 -1.855 3.639 0.249 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.855 2.727 0.938 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.821 2.828 -0.602 1.00 0.00 C ATOM 0 H VAL A 111 -3.345 5.919 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.103 3.815 2.003 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.307 4.317 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.322 2.140 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.143 3.329 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.382 2.056 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.260 2.240 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.397 2.160 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.498 3.502 -1.126 1.00 0.00 H new ATOM 323 N PHE A 112 -1.428 5.101 3.306 1.00 0.00 N ATOM 324 CA PHE A 112 -0.513 5.890 4.124 1.00 0.00 C ATOM 325 C PHE A 112 0.936 5.481 3.879 1.00 0.00 C ATOM 326 O PHE A 112 1.306 4.325 4.078 1.00 0.00 O ATOM 327 CB PHE A 112 -0.858 5.735 5.609 1.00 0.00 C ATOM 328 CG PHE A 112 -2.124 6.440 6.016 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.287 6.301 5.274 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.147 7.244 7.145 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.448 6.952 5.649 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.306 7.896 7.525 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.457 7.750 6.776 1.00 0.00 C ATOM 0 H PHE A 112 -1.877 4.330 3.800 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.625 6.936 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.953 4.674 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.031 6.119 6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.286 5.677 4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.250 7.363 7.734 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.347 6.836 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.311 8.519 8.407 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.363 8.259 7.071 1.00 0.00 H new ATOM 343 N LEU A 113 1.751 6.444 3.452 1.00 0.00 N ATOM 344 CA LEU A 113 3.164 6.196 3.183 1.00 0.00 C ATOM 345 C LEU A 113 3.991 6.316 4.460 1.00 0.00 C ATOM 346 O LEU A 113 3.718 7.161 5.313 1.00 0.00 O ATOM 347 CB LEU A 113 3.676 7.170 2.107 1.00 0.00 C ATOM 348 CG LEU A 113 5.158 7.031 1.710 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.065 7.656 2.760 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.524 5.570 1.489 1.00 0.00 C ATOM 0 H LEU A 113 1.455 7.406 3.285 1.00 0.00 H new ATOM 0 HA LEU A 113 3.272 5.177 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.068 7.041 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.510 8.188 2.460 1.00 0.00 H new ATOM 0 HG LEU A 113 5.305 7.567 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.106 7.544 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.828 8.715 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.912 7.157 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.575 5.496 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.353 5.009 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.907 5.157 0.691 1.00 0.00 H new ATOM 362 N THR A 114 5.006 5.466 4.579 1.00 0.00 N ATOM 363 CA THR A 114 5.883 5.471 5.743 1.00 0.00 C ATOM 364 C THR A 114 7.264 4.937 5.376 1.00 0.00 C ATOM 365 O THR A 114 7.680 3.873 5.839 1.00 0.00 O ATOM 366 CB THR A 114 5.296 4.635 6.900 1.00 0.00 C ATOM 367 OG1 THR A 114 3.974 5.091 7.211 1.00 0.00 O ATOM 368 CG2 THR A 114 6.170 4.737 8.142 1.00 0.00 C ATOM 0 H THR A 114 5.242 4.762 3.879 1.00 0.00 H new ATOM 0 HA THR A 114 5.972 6.505 6.077 1.00 0.00 H new ATOM 0 HB THR A 114 5.260 3.593 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.607 4.555 7.945 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.735 4.139 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.170 4.367 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.232 5.778 8.459 1.00 0.00 H new ATOM 376 N GLY A 115 7.966 5.682 4.527 1.00 0.00 N ATOM 377 CA GLY A 115 9.288 5.283 4.094 1.00 0.00 C ATOM 378 C GLY A 115 10.097 6.461 3.591 1.00 0.00 C ATOM 379 O GLY A 115 10.538 7.300 4.377 1.00 0.00 O ATOM 0 H GLY A 115 7.637 6.562 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.814 4.809 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.202 4.538 3.303 1.00 0.00 H new ATOM 383 N GLY A 116 10.289 6.527 2.279 1.00 0.00 N ATOM 384 CA GLY A 116 11.047 7.620 1.698 1.00 0.00 C ATOM 385 C GLY A 116 11.549 7.311 0.299 1.00 0.00 C ATOM 386 O GLY A 116 10.766 6.981 -0.591 1.00 0.00 O ATOM 0 H GLY A 116 9.935 5.845 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.422 8.512 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.897 7.849 2.341 1.00 0.00 H new ATOM 390 N ASP A 117 12.862 7.426 0.109 1.00 0.00 N ATOM 391 CA ASP A 117 13.478 7.165 -1.189 1.00 0.00 C ATOM 392 C ASP A 117 14.893 6.614 -1.013 1.00 0.00 C ATOM 393 O ASP A 117 15.840 7.070 -1.654 1.00 0.00 O ATOM 394 CB ASP A 117 13.508 8.449 -2.025 1.00 0.00 C ATOM 395 CG ASP A 117 14.094 8.235 -3.406 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.535 7.421 -4.170 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.113 8.882 -3.726 1.00 0.00 O ATOM 0 H ASP A 117 13.520 7.699 0.839 1.00 0.00 H new ATOM 0 HA ASP A 117 12.881 6.417 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.495 8.839 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.092 9.205 -1.500 1.00 0.00 H new ATOM 402 N LEU A 118 15.023 5.624 -0.136 1.00 0.00 N ATOM 403 CA LEU A 118 16.310 4.995 0.136 1.00 0.00 C ATOM 404 C LEU A 118 16.491 3.752 -0.730 1.00 0.00 C ATOM 405 O LEU A 118 15.513 3.102 -1.097 1.00 0.00 O ATOM 406 CB LEU A 118 16.428 4.619 1.619 1.00 0.00 C ATOM 407 CG LEU A 118 16.494 5.798 2.600 1.00 0.00 C ATOM 408 CD1 LEU A 118 17.668 6.706 2.265 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.190 6.583 2.595 1.00 0.00 C ATOM 0 H LEU A 118 14.247 5.238 0.402 1.00 0.00 H new ATOM 0 HA LEU A 118 17.094 5.712 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.575 3.995 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.322 4.010 1.751 1.00 0.00 H new ATOM 0 HG LEU A 118 16.643 5.397 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.699 7.536 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 118 18.597 6.139 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 118 17.551 7.094 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.262 7.413 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.003 6.971 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.370 5.928 2.890 1.00 0.00 H new ATOM 421 N PRO A 119 17.746 3.401 -1.072 1.00 0.00 N ATOM 422 CA PRO A 119 18.034 2.227 -1.897 1.00 0.00 C ATOM 423 C PRO A 119 17.209 1.018 -1.476 1.00 0.00 C ATOM 424 O PRO A 119 17.477 0.397 -0.447 1.00 0.00 O ATOM 425 CB PRO A 119 19.520 1.986 -1.642 1.00 0.00 C ATOM 426 CG PRO A 119 20.074 3.341 -1.363 1.00 0.00 C ATOM 427 CD PRO A 119 18.976 4.117 -0.681 1.00 0.00 C ATOM 0 HA PRO A 119 17.789 2.383 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.674 1.313 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 119 20.002 1.530 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.957 3.276 -0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.382 3.833 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.106 4.128 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.956 5.156 -1.010 1.00 0.00 H new ATOM 435 N ALA A 120 16.196 0.706 -2.284 1.00 0.00 N ATOM 436 CA ALA A 120 15.291 -0.412 -2.026 1.00 0.00 C ATOM 437 C ALA A 120 14.347 -0.107 -0.864 1.00 0.00 C ATOM 438 O ALA A 120 13.172 -0.474 -0.902 1.00 0.00 O ATOM 439 CB ALA A 120 16.067 -1.696 -1.768 1.00 0.00 C ATOM 0 H ALA A 120 15.980 1.222 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 120 14.684 -0.556 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.369 -2.511 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.676 -1.935 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.713 -1.563 -0.900 1.00 0.00 H new ATOM 445 N LEU A 121 14.859 0.571 0.159 1.00 0.00 N ATOM 446 CA LEU A 121 14.058 0.934 1.318 1.00 0.00 C ATOM 447 C LEU A 121 13.460 -0.303 1.984 1.00 0.00 C ATOM 448 O LEU A 121 12.244 -0.409 2.147 1.00 0.00 O ATOM 449 CB LEU A 121 12.954 1.912 0.904 1.00 0.00 C ATOM 450 CG LEU A 121 12.271 2.649 2.056 1.00 0.00 C ATOM 451 CD1 LEU A 121 13.308 3.278 2.974 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.321 3.707 1.515 1.00 0.00 C ATOM 0 H LEU A 121 15.830 0.880 0.206 1.00 0.00 H new ATOM 0 HA LEU A 121 14.707 1.420 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.380 2.650 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.196 1.364 0.345 1.00 0.00 H new ATOM 0 HG LEU A 121 11.693 1.930 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 121 12.805 3.799 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.951 2.499 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 121 13.912 3.987 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.841 4.224 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 121 11.880 4.425 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.560 3.231 0.896 1.00 0.00 H new ATOM 464 N ASP A 122 14.331 -1.238 2.362 1.00 0.00 N ATOM 465 CA ASP A 122 13.911 -2.476 3.013 1.00 0.00 C ATOM 466 C ASP A 122 13.405 -2.208 4.431 1.00 0.00 C ATOM 467 O ASP A 122 14.046 -2.584 5.413 1.00 0.00 O ATOM 468 CB ASP A 122 15.074 -3.472 3.053 1.00 0.00 C ATOM 469 CG ASP A 122 14.683 -4.798 3.674 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.773 -5.461 3.133 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.287 -5.174 4.700 1.00 0.00 O ATOM 0 H ASP A 122 15.339 -1.159 2.227 1.00 0.00 H new ATOM 0 HA ASP A 122 13.093 -2.902 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.437 -3.642 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.899 -3.039 3.618 1.00 0.00 H new ATOM 476 N GLY A 123 12.254 -1.551 4.529 1.00 0.00 N ATOM 477 CA GLY A 123 11.681 -1.237 5.823 1.00 0.00 C ATOM 478 C GLY A 123 10.376 -0.478 5.703 1.00 0.00 C ATOM 479 O GLY A 123 9.497 -0.600 6.555 1.00 0.00 O ATOM 0 H GLY A 123 11.706 -1.230 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.512 -2.160 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.392 -0.645 6.399 1.00 0.00 H new ATOM 483 N ALA A 124 10.256 0.309 4.636 1.00 0.00 N ATOM 484 CA ALA A 124 9.055 1.101 4.391 1.00 0.00 C ATOM 485 C ALA A 124 7.795 0.256 4.526 1.00 0.00 C ATOM 486 O ALA A 124 7.821 -0.956 4.321 1.00 0.00 O ATOM 487 CB ALA A 124 9.115 1.733 3.010 1.00 0.00 C ATOM 0 H ALA A 124 10.980 0.415 3.925 1.00 0.00 H new ATOM 0 HA ALA A 124 9.014 1.888 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.213 2.321 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.989 2.381 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.186 0.950 2.255 1.00 0.00 H new ATOM 493 N ARG A 125 6.695 0.911 4.875 1.00 0.00 N ATOM 494 CA ARG A 125 5.419 0.227 5.042 1.00 0.00 C ATOM 495 C ARG A 125 4.259 1.183 4.796 1.00 0.00 C ATOM 496 O ARG A 125 4.268 2.320 5.266 1.00 0.00 O ATOM 497 CB ARG A 125 5.322 -0.367 6.448 1.00 0.00 C ATOM 498 CG ARG A 125 3.973 -0.995 6.757 1.00 0.00 C ATOM 499 CD ARG A 125 3.947 -1.587 8.157 1.00 0.00 C ATOM 500 NE ARG A 125 4.289 -0.597 9.174 1.00 0.00 N ATOM 501 CZ ARG A 125 4.368 -0.869 10.473 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.125 -2.097 10.913 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.691 0.086 11.335 1.00 0.00 N ATOM 0 H ARG A 125 6.661 1.916 5.048 1.00 0.00 H new ATOM 0 HA ARG A 125 5.361 -0.579 4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.100 -1.121 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.523 0.417 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.189 -0.243 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.756 -1.774 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.955 -1.990 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.647 -2.420 8.212 1.00 0.00 H new ATOM 0 HE ARG A 125 4.478 0.358 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.877 -2.835 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.186 -2.303 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.879 1.031 11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.751 -0.125 12.331 1.00 0.00 H new ATOM 517 N VAL A 126 3.262 0.714 4.053 1.00 0.00 N ATOM 518 CA VAL A 126 2.098 1.531 3.744 1.00 0.00 C ATOM 519 C VAL A 126 0.806 0.804 4.102 1.00 0.00 C ATOM 520 O VAL A 126 0.663 -0.394 3.846 1.00 0.00 O ATOM 521 CB VAL A 126 2.066 1.927 2.257 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.292 2.749 1.898 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.966 0.697 1.370 1.00 0.00 C ATOM 0 H VAL A 126 3.238 -0.225 3.655 1.00 0.00 H new ATOM 0 HA VAL A 126 2.177 2.436 4.346 1.00 0.00 H new ATOM 0 HB VAL A 126 1.180 2.538 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.252 3.020 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.313 3.654 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.191 2.163 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.945 1.003 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.828 0.053 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.053 0.151 1.607 1.00 0.00 H new ATOM 533 N GLU A 127 -0.125 1.535 4.706 1.00 0.00 N ATOM 534 CA GLU A 127 -1.402 0.958 5.111 1.00 0.00 C ATOM 535 C GLU A 127 -2.510 1.310 4.122 1.00 0.00 C ATOM 536 O GLU A 127 -2.805 2.484 3.895 1.00 0.00 O ATOM 537 CB GLU A 127 -1.778 1.451 6.510 1.00 0.00 C ATOM 538 CG GLU A 127 -3.016 0.778 7.082 1.00 0.00 C ATOM 539 CD GLU A 127 -3.364 1.278 8.471 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.644 2.158 8.985 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.359 0.786 9.045 1.00 0.00 O ATOM 0 H GLU A 127 -0.020 2.526 4.925 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.292 -0.126 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.938 1.280 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.944 2.528 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.860 0.952 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.855 -0.299 7.118 1.00 0.00 H new ATOM 548 N PHE A 128 -3.130 0.284 3.546 1.00 0.00 N ATOM 549 CA PHE A 128 -4.215 0.478 2.590 1.00 0.00 C ATOM 550 C PHE A 128 -5.552 0.620 3.310 1.00 0.00 C ATOM 551 O PHE A 128 -5.749 0.062 4.390 1.00 0.00 O ATOM 552 CB PHE A 128 -4.289 -0.691 1.601 1.00 0.00 C ATOM 553 CG PHE A 128 -3.090 -0.818 0.702 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.818 -0.967 1.230 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.240 -0.790 -0.675 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.719 -1.088 0.401 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.144 -0.908 -1.509 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.882 -1.058 -0.970 1.00 0.00 C ATOM 0 H PHE A 128 -2.898 -0.693 3.726 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.008 1.395 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.408 -1.618 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.180 -0.574 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.684 -0.989 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.225 -0.675 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.267 -1.206 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.275 -0.883 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.024 -1.152 -1.619 1.00 0.00 H new ATOM 568 N ARG A 129 -6.472 1.362 2.702 1.00 0.00 N ATOM 569 CA ARG A 129 -7.795 1.566 3.282 1.00 0.00 C ATOM 570 C ARG A 129 -8.767 2.103 2.236 1.00 0.00 C ATOM 571 O ARG A 129 -8.435 3.005 1.468 1.00 0.00 O ATOM 572 CB ARG A 129 -7.720 2.523 4.476 1.00 0.00 C ATOM 573 CG ARG A 129 -7.240 3.914 4.120 1.00 0.00 C ATOM 574 CD ARG A 129 -7.174 4.811 5.344 1.00 0.00 C ATOM 575 NE ARG A 129 -8.466 4.918 6.014 1.00 0.00 N ATOM 576 CZ ARG A 129 -8.675 5.654 7.101 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.682 6.354 7.633 1.00 0.00 N ATOM 578 NH2 ARG A 129 -9.879 5.692 7.656 1.00 0.00 N ATOM 0 H ARG A 129 -6.326 1.832 1.808 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.162 0.601 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -8.707 2.596 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.052 2.100 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.254 3.853 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.911 4.353 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.435 4.418 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.836 5.804 5.048 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.253 4.398 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.755 6.328 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.845 6.918 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.645 5.156 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.038 6.257 8.490 1.00 0.00 H new ATOM 592 N CYS A 130 -9.965 1.529 2.206 1.00 0.00 N ATOM 593 CA CYS A 130 -10.987 1.933 1.247 1.00 0.00 C ATOM 594 C CYS A 130 -11.852 3.066 1.795 1.00 0.00 C ATOM 595 O CYS A 130 -11.982 3.235 3.008 1.00 0.00 O ATOM 596 CB CYS A 130 -11.863 0.737 0.877 1.00 0.00 C ATOM 597 SG CYS A 130 -10.940 -0.667 0.171 1.00 0.00 S ATOM 0 H CYS A 130 -10.253 0.781 2.837 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.481 2.300 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.394 0.399 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.617 1.060 0.160 1.00 0.00 H new ATOM 602 N ASP A 131 -12.438 3.840 0.882 1.00 0.00 N ATOM 603 CA ASP A 131 -13.296 4.966 1.246 1.00 0.00 C ATOM 604 C ASP A 131 -14.397 4.537 2.218 1.00 0.00 C ATOM 605 O ASP A 131 -14.665 3.345 2.367 1.00 0.00 O ATOM 606 CB ASP A 131 -13.922 5.574 -0.015 1.00 0.00 C ATOM 607 CG ASP A 131 -14.780 4.582 -0.778 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.866 3.412 -0.347 1.00 0.00 O ATOM 609 OD2 ASP A 131 -15.364 4.975 -1.810 1.00 0.00 O ATOM 0 H ASP A 131 -12.332 3.705 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.678 5.713 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.530 6.435 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.130 5.941 -0.668 1.00 0.00 H new ATOM 614 N PRO A 132 -15.041 5.508 2.904 1.00 0.00 N ATOM 615 CA PRO A 132 -16.115 5.234 3.872 1.00 0.00 C ATOM 616 C PRO A 132 -17.398 4.735 3.205 1.00 0.00 C ATOM 617 O PRO A 132 -18.483 5.267 3.444 1.00 0.00 O ATOM 618 CB PRO A 132 -16.362 6.592 4.548 1.00 0.00 C ATOM 619 CG PRO A 132 -15.218 7.460 4.138 1.00 0.00 C ATOM 620 CD PRO A 132 -14.771 6.949 2.801 1.00 0.00 C ATOM 0 HA PRO A 132 -15.829 4.444 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.312 7.021 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.406 6.488 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.524 8.504 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.408 7.409 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -15.328 7.409 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.715 7.152 2.621 1.00 0.00 H new ATOM 628 N ASP A 133 -17.263 3.706 2.378 1.00 0.00 N ATOM 629 CA ASP A 133 -18.389 3.111 1.673 1.00 0.00 C ATOM 630 C ASP A 133 -18.061 1.667 1.317 1.00 0.00 C ATOM 631 O ASP A 133 -18.908 0.779 1.415 1.00 0.00 O ATOM 632 CB ASP A 133 -18.717 3.902 0.404 1.00 0.00 C ATOM 633 CG ASP A 133 -19.175 5.316 0.699 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.205 5.475 1.387 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.502 6.266 0.243 1.00 0.00 O ATOM 0 H ASP A 133 -16.368 3.260 2.178 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.262 3.137 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.835 3.936 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -19.496 3.381 -0.153 1.00 0.00 H new ATOM 640 N PHE A 134 -16.812 1.445 0.920 1.00 0.00 N ATOM 641 CA PHE A 134 -16.336 0.115 0.563 1.00 0.00 C ATOM 642 C PHE A 134 -15.375 -0.391 1.635 1.00 0.00 C ATOM 643 O PHE A 134 -14.572 0.379 2.163 1.00 0.00 O ATOM 644 CB PHE A 134 -15.628 0.132 -0.797 1.00 0.00 C ATOM 645 CG PHE A 134 -16.482 0.615 -1.938 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.029 1.888 -1.927 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.733 -0.207 -3.026 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.810 2.332 -2.976 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.513 0.232 -4.080 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.052 1.504 -4.054 1.00 0.00 C ATOM 0 H PHE A 134 -16.106 2.177 0.837 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.196 -0.551 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.746 0.768 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.278 -0.875 -1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.842 2.541 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.314 -1.202 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.231 3.326 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.701 -0.418 -4.922 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.662 1.850 -4.876 1.00 0.00 H new ATOM 660 N HIS A 135 -15.453 -1.676 1.958 1.00 0.00 N ATOM 661 CA HIS A 135 -14.575 -2.246 2.972 1.00 0.00 C ATOM 662 C HIS A 135 -13.435 -3.031 2.329 1.00 0.00 C ATOM 663 O HIS A 135 -13.645 -3.814 1.399 1.00 0.00 O ATOM 664 CB HIS A 135 -15.364 -3.139 3.936 1.00 0.00 C ATOM 665 CG HIS A 135 -16.059 -4.290 3.278 1.00 0.00 C ATOM 666 ND1 HIS A 135 -17.011 -4.133 2.292 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.943 -5.625 3.475 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.451 -5.320 1.914 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.819 -6.241 2.616 1.00 0.00 N ATOM 0 H HIS A 135 -16.107 -2.337 1.538 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.143 -1.423 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.683 -3.526 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -16.105 -2.530 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.284 -6.114 4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.201 -5.505 1.159 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.959 -7.248 2.534 1.00 0.00 H new ATOM 678 N LEU A 136 -12.222 -2.798 2.828 1.00 0.00 N ATOM 679 CA LEU A 136 -11.031 -3.463 2.312 1.00 0.00 C ATOM 680 C LEU A 136 -11.003 -4.928 2.744 1.00 0.00 C ATOM 681 O LEU A 136 -11.199 -5.242 3.919 1.00 0.00 O ATOM 682 CB LEU A 136 -9.775 -2.727 2.798 1.00 0.00 C ATOM 683 CG LEU A 136 -8.446 -3.180 2.182 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.026 -4.534 2.732 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.548 -3.229 0.665 1.00 0.00 C ATOM 0 H LEU A 136 -12.040 -2.149 3.594 1.00 0.00 H new ATOM 0 HA LEU A 136 -11.054 -3.436 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.901 -1.663 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.708 -2.841 3.880 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.682 -2.451 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.081 -4.833 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.905 -4.466 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.791 -5.275 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.595 -3.553 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.329 -3.932 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.793 -2.237 0.285 1.00 0.00 H new ATOM 697 N VAL A 137 -10.768 -5.818 1.784 1.00 0.00 N ATOM 698 CA VAL A 137 -10.726 -7.250 2.061 1.00 0.00 C ATOM 699 C VAL A 137 -9.526 -7.918 1.388 1.00 0.00 C ATOM 700 O VAL A 137 -9.692 -8.725 0.472 1.00 0.00 O ATOM 701 CB VAL A 137 -12.016 -7.946 1.581 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.037 -9.405 2.013 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.244 -7.213 2.098 1.00 0.00 C ATOM 0 H VAL A 137 -10.604 -5.573 0.808 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.633 -7.357 3.142 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.034 -7.916 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.956 -9.875 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.179 -9.923 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.991 -9.463 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.144 -7.719 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.232 -7.206 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.238 -6.188 1.729 1.00 0.00 H new ATOM 713 N GLY A 138 -8.316 -7.584 1.832 1.00 0.00 N ATOM 714 CA GLY A 138 -7.139 -8.185 1.233 1.00 0.00 C ATOM 715 C GLY A 138 -5.842 -7.649 1.799 1.00 0.00 C ATOM 716 O GLY A 138 -5.656 -7.613 3.015 1.00 0.00 O ATOM 0 H GLY A 138 -8.132 -6.919 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.174 -9.264 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.158 -8.011 0.157 1.00 0.00 H new ATOM 720 N SER A 139 -4.942 -7.245 0.905 1.00 0.00 N ATOM 721 CA SER A 139 -3.640 -6.707 1.292 1.00 0.00 C ATOM 722 C SER A 139 -3.779 -5.348 1.969 1.00 0.00 C ATOM 723 O SER A 139 -3.328 -4.329 1.444 1.00 0.00 O ATOM 724 CB SER A 139 -2.738 -6.586 0.065 1.00 0.00 C ATOM 725 OG SER A 139 -1.527 -5.929 0.386 1.00 0.00 O ATOM 0 H SER A 139 -5.094 -7.281 -0.103 1.00 0.00 H new ATOM 0 HA SER A 139 -3.191 -7.397 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.523 -7.578 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 139 -3.257 -6.035 -0.719 1.00 0.00 H new ATOM 0 HG SER A 139 -1.709 -4.988 0.588 1.00 0.00 H new ATOM 731 N SER A 140 -4.408 -5.340 3.135 1.00 0.00 N ATOM 732 CA SER A 140 -4.615 -4.121 3.889 1.00 0.00 C ATOM 733 C SER A 140 -3.280 -3.509 4.312 1.00 0.00 C ATOM 734 O SER A 140 -3.208 -2.329 4.655 1.00 0.00 O ATOM 735 CB SER A 140 -5.480 -4.427 5.108 1.00 0.00 C ATOM 736 OG SER A 140 -4.796 -5.262 6.026 1.00 0.00 O ATOM 0 H SER A 140 -4.786 -6.176 3.580 1.00 0.00 H new ATOM 0 HA SER A 140 -5.125 -3.392 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.762 -3.496 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.403 -4.912 4.790 1.00 0.00 H new ATOM 0 HG SER A 140 -5.373 -5.441 6.798 1.00 0.00 H new ATOM 742 N ARG A 141 -2.223 -4.321 4.282 1.00 0.00 N ATOM 743 CA ARG A 141 -0.886 -3.863 4.660 1.00 0.00 C ATOM 744 C ARG A 141 0.174 -4.461 3.734 1.00 0.00 C ATOM 745 O ARG A 141 0.118 -5.645 3.403 1.00 0.00 O ATOM 746 CB ARG A 141 -0.581 -4.253 6.109 1.00 0.00 C ATOM 747 CG ARG A 141 -1.622 -3.769 7.106 1.00 0.00 C ATOM 748 CD ARG A 141 -1.307 -4.243 8.516 1.00 0.00 C ATOM 749 NE ARG A 141 -0.072 -3.660 9.034 1.00 0.00 N ATOM 750 CZ ARG A 141 0.082 -2.365 9.291 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.922 -1.520 9.095 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.240 -1.911 9.751 1.00 0.00 N ATOM 0 H ARG A 141 -2.267 -5.300 4.000 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.862 -2.777 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.505 -5.338 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.392 -3.848 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.665 -2.680 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.606 -4.132 6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.134 -3.984 9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.223 -5.330 8.521 1.00 0.00 H new ATOM 0 HE ARG A 141 0.717 -4.282 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.817 -1.863 8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.799 -0.527 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.014 -2.556 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.356 -0.917 9.948 1.00 0.00 H new ATOM 766 N SER A 142 1.137 -3.637 3.320 1.00 0.00 N ATOM 767 CA SER A 142 2.207 -4.093 2.430 1.00 0.00 C ATOM 768 C SER A 142 3.563 -3.583 2.909 1.00 0.00 C ATOM 769 O SER A 142 3.738 -2.386 3.142 1.00 0.00 O ATOM 770 CB SER A 142 1.957 -3.601 1.003 1.00 0.00 C ATOM 771 OG SER A 142 2.076 -2.193 0.921 1.00 0.00 O ATOM 0 H SER A 142 1.199 -2.654 3.585 1.00 0.00 H new ATOM 0 HA SER A 142 2.213 -5.183 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.669 -4.069 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.961 -3.904 0.680 1.00 0.00 H new ATOM 0 HG SER A 142 3.009 -1.954 0.738 1.00 0.00 H new ATOM 777 N VAL A 143 4.520 -4.494 3.050 1.00 0.00 N ATOM 778 CA VAL A 143 5.861 -4.129 3.494 1.00 0.00 C ATOM 779 C VAL A 143 6.824 -4.051 2.314 1.00 0.00 C ATOM 780 O VAL A 143 6.945 -4.997 1.535 1.00 0.00 O ATOM 781 CB VAL A 143 6.406 -5.135 4.526 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.835 -4.785 4.915 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.508 -5.180 5.753 1.00 0.00 C ATOM 0 H VAL A 143 4.393 -5.489 2.864 1.00 0.00 H new ATOM 0 HA VAL A 143 5.785 -3.148 3.964 1.00 0.00 H new ATOM 0 HB VAL A 143 6.412 -6.125 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.201 -5.508 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.470 -4.810 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.859 -3.786 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.908 -5.896 6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.467 -4.191 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.504 -5.485 5.458 1.00 0.00 H new ATOM 793 N CYS A 144 7.509 -2.919 2.188 1.00 0.00 N ATOM 794 CA CYS A 144 8.463 -2.721 1.103 1.00 0.00 C ATOM 795 C CYS A 144 9.732 -3.535 1.335 1.00 0.00 C ATOM 796 O CYS A 144 10.232 -3.617 2.457 1.00 0.00 O ATOM 797 CB CYS A 144 8.812 -1.239 0.959 1.00 0.00 C ATOM 798 SG CYS A 144 9.921 -0.877 -0.440 1.00 0.00 S ATOM 0 H CYS A 144 7.421 -2.126 2.823 1.00 0.00 H new ATOM 0 HA CYS A 144 7.996 -3.066 0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.891 -0.669 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.281 -0.895 1.881 1.00 0.00 H new ATOM 803 N SER A 145 10.248 -4.130 0.265 1.00 0.00 N ATOM 804 CA SER A 145 11.462 -4.936 0.343 1.00 0.00 C ATOM 805 C SER A 145 11.953 -5.301 -1.054 1.00 0.00 C ATOM 806 O SER A 145 11.177 -5.757 -1.893 1.00 0.00 O ATOM 807 CB SER A 145 11.208 -6.207 1.155 1.00 0.00 C ATOM 808 OG SER A 145 10.187 -6.995 0.566 1.00 0.00 O ATOM 0 H SER A 145 9.843 -4.069 -0.669 1.00 0.00 H new ATOM 0 HA SER A 145 12.231 -4.347 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.127 -6.789 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.924 -5.941 2.173 1.00 0.00 H new ATOM 0 HG SER A 145 10.220 -6.898 -0.409 1.00 0.00 H new ATOM 814 N GLN A 146 13.243 -5.092 -1.297 1.00 0.00 N ATOM 815 CA GLN A 146 13.835 -5.393 -2.597 1.00 0.00 C ATOM 816 C GLN A 146 13.138 -4.601 -3.700 1.00 0.00 C ATOM 817 O GLN A 146 12.919 -5.106 -4.802 1.00 0.00 O ATOM 818 CB GLN A 146 13.747 -6.893 -2.887 1.00 0.00 C ATOM 819 CG GLN A 146 14.444 -7.755 -1.846 1.00 0.00 C ATOM 820 CD GLN A 146 14.303 -9.238 -2.127 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.733 -9.728 -3.171 1.00 0.00 O ATOM 822 NE2 GLN A 146 13.696 -9.961 -1.192 1.00 0.00 N ATOM 0 H GLN A 146 13.898 -4.716 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 146 14.885 -5.102 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.698 -7.183 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.186 -7.092 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.502 -7.494 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.031 -7.535 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 146 13.355 -9.512 -0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.571 -10.965 -1.325 1.00 0.00 H new ATOM 831 N GLY A 147 12.794 -3.353 -3.391 1.00 0.00 N ATOM 832 CA GLY A 147 12.127 -2.496 -4.355 1.00 0.00 C ATOM 833 C GLY A 147 10.785 -3.046 -4.810 1.00 0.00 C ATOM 834 O GLY A 147 10.264 -2.641 -5.848 1.00 0.00 O ATOM 0 H GLY A 147 12.967 -2.919 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.979 -1.510 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.773 -2.364 -5.223 1.00 0.00 H new ATOM 838 N GLN A 148 10.221 -3.965 -4.030 1.00 0.00 N ATOM 839 CA GLN A 148 8.929 -4.563 -4.362 1.00 0.00 C ATOM 840 C GLN A 148 8.110 -4.846 -3.103 1.00 0.00 C ATOM 841 O GLN A 148 8.623 -5.405 -2.134 1.00 0.00 O ATOM 842 CB GLN A 148 9.132 -5.851 -5.163 1.00 0.00 C ATOM 843 CG GLN A 148 10.005 -6.878 -4.459 1.00 0.00 C ATOM 844 CD GLN A 148 10.251 -8.112 -5.305 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.799 -8.026 -6.404 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.848 -9.270 -4.793 1.00 0.00 N ATOM 0 H GLN A 148 10.637 -4.312 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 148 8.374 -3.850 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 148 8.159 -6.296 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.581 -5.603 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.961 -6.422 -4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.530 -7.172 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.398 -9.294 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.989 -10.135 -5.315 1.00 0.00 H new ATOM 855 N TRP A 149 6.834 -4.462 -3.123 1.00 0.00 N ATOM 856 CA TRP A 149 5.955 -4.686 -1.977 1.00 0.00 C ATOM 857 C TRP A 149 5.637 -6.168 -1.814 1.00 0.00 C ATOM 858 O TRP A 149 5.341 -6.860 -2.787 1.00 0.00 O ATOM 859 CB TRP A 149 4.655 -3.893 -2.119 1.00 0.00 C ATOM 860 CG TRP A 149 4.861 -2.412 -2.168 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.912 -1.626 -3.282 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.067 -1.540 -1.050 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.119 -0.315 -2.925 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.222 -0.238 -1.561 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.128 -1.735 0.332 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.437 0.863 -0.737 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.343 -0.640 1.148 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.494 0.644 0.612 1.00 0.00 C ATOM 0 H TRP A 149 6.389 -3.998 -3.914 1.00 0.00 H new ATOM 0 HA TRP A 149 6.483 -4.339 -1.088 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.142 -4.211 -3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.999 -4.133 -1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.805 -1.982 -4.296 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.185 0.472 -3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.010 -2.722 0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.555 1.855 -1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.395 -0.778 2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.659 1.479 1.277 1.00 0.00 H new ATOM 879 N SER A 150 5.702 -6.645 -0.576 1.00 0.00 N ATOM 880 CA SER A 150 5.421 -8.045 -0.278 1.00 0.00 C ATOM 881 C SER A 150 4.022 -8.443 -0.743 1.00 0.00 C ATOM 882 O SER A 150 3.864 -9.394 -1.509 1.00 0.00 O ATOM 883 CB SER A 150 5.565 -8.308 1.222 1.00 0.00 C ATOM 884 OG SER A 150 5.290 -9.663 1.531 1.00 0.00 O ATOM 0 H SER A 150 5.947 -6.082 0.239 1.00 0.00 H new ATOM 0 HA SER A 150 6.145 -8.652 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.576 -8.057 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.885 -7.660 1.775 1.00 0.00 H new ATOM 0 HG SER A 150 5.390 -9.805 2.495 1.00 0.00 H new ATOM 890 N THR A 151 3.009 -7.723 -0.267 1.00 0.00 N ATOM 891 CA THR A 151 1.627 -8.023 -0.633 1.00 0.00 C ATOM 892 C THR A 151 1.130 -7.138 -1.777 1.00 0.00 C ATOM 893 O THR A 151 1.309 -5.921 -1.757 1.00 0.00 O ATOM 894 CB THR A 151 0.691 -7.860 0.576 1.00 0.00 C ATOM 895 OG1 THR A 151 0.820 -6.540 1.114 1.00 0.00 O ATOM 896 CG2 THR A 151 1.009 -8.888 1.651 1.00 0.00 C ATOM 0 H THR A 151 3.118 -6.933 0.369 1.00 0.00 H new ATOM 0 HA THR A 151 1.613 -9.060 -0.969 1.00 0.00 H new ATOM 0 HB THR A 151 -0.334 -8.019 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 151 -0.025 -6.057 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.334 -8.752 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 151 0.883 -9.891 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.038 -8.758 1.985 1.00 0.00 H new ATOM 904 N PRO A 152 0.482 -7.747 -2.792 1.00 0.00 N ATOM 905 CA PRO A 152 -0.059 -7.024 -3.950 1.00 0.00 C ATOM 906 C PRO A 152 -1.292 -6.202 -3.584 1.00 0.00 C ATOM 907 O PRO A 152 -2.047 -6.579 -2.691 1.00 0.00 O ATOM 908 CB PRO A 152 -0.439 -8.136 -4.940 1.00 0.00 C ATOM 909 CG PRO A 152 0.126 -9.399 -4.374 1.00 0.00 C ATOM 910 CD PRO A 152 0.219 -9.188 -2.892 1.00 0.00 C ATOM 0 HA PRO A 152 0.662 -6.313 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.521 -8.207 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.030 -7.934 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.514 -10.250 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.107 -9.612 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.703 -9.468 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.020 -9.779 -2.448 1.00 0.00 H new ATOM 918 N LYS A 153 -1.491 -5.082 -4.276 1.00 0.00 N ATOM 919 CA LYS A 153 -2.637 -4.214 -4.012 1.00 0.00 C ATOM 920 C LYS A 153 -3.933 -5.021 -3.920 1.00 0.00 C ATOM 921 O LYS A 153 -4.271 -5.771 -4.835 1.00 0.00 O ATOM 922 CB LYS A 153 -2.772 -3.159 -5.113 1.00 0.00 C ATOM 923 CG LYS A 153 -1.578 -2.224 -5.220 1.00 0.00 C ATOM 924 CD LYS A 153 -1.763 -1.211 -6.340 1.00 0.00 C ATOM 925 CE LYS A 153 -2.961 -0.308 -6.090 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.797 0.505 -4.854 1.00 0.00 N ATOM 0 H LYS A 153 -0.876 -4.755 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.464 -3.721 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -2.914 -3.662 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.669 -2.568 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -1.438 -1.701 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.674 -2.806 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.863 -0.604 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.894 -1.735 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.100 0.355 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.862 -0.916 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.626 0.375 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.941 0.200 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.709 1.510 -5.108 1.00 0.00 H new ATOM 940 N PRO A 154 -4.679 -4.874 -2.808 1.00 0.00 N ATOM 941 CA PRO A 154 -5.943 -5.592 -2.602 1.00 0.00 C ATOM 942 C PRO A 154 -7.062 -5.069 -3.499 1.00 0.00 C ATOM 943 O PRO A 154 -6.816 -4.636 -4.625 1.00 0.00 O ATOM 944 CB PRO A 154 -6.267 -5.317 -1.132 1.00 0.00 C ATOM 945 CG PRO A 154 -5.598 -4.021 -0.834 1.00 0.00 C ATOM 946 CD PRO A 154 -4.348 -3.998 -1.668 1.00 0.00 C ATOM 0 HA PRO A 154 -5.855 -6.651 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.343 -5.254 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.893 -6.113 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.247 -3.181 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.361 -3.939 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.103 -2.988 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.488 -4.370 -1.112 1.00 0.00 H new ATOM 954 N HIS A 155 -8.291 -5.106 -2.989 1.00 0.00 N ATOM 955 CA HIS A 155 -9.446 -4.629 -3.740 1.00 0.00 C ATOM 956 C HIS A 155 -10.550 -4.175 -2.789 1.00 0.00 C ATOM 957 O HIS A 155 -10.732 -4.750 -1.716 1.00 0.00 O ATOM 958 CB HIS A 155 -9.970 -5.723 -4.675 1.00 0.00 C ATOM 959 CG HIS A 155 -10.541 -6.909 -3.961 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.817 -7.674 -3.070 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.776 -7.462 -4.011 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.583 -8.646 -2.605 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.776 -8.538 -3.159 1.00 0.00 N ATOM 0 H HIS A 155 -8.511 -5.462 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.133 -3.777 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.737 -5.297 -5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.157 -6.056 -5.320 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.607 -7.120 -4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -10.283 -9.400 -1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.569 -9.154 -2.983 1.00 0.00 H new ATOM 972 N CYS A 156 -11.283 -3.141 -3.188 1.00 0.00 N ATOM 973 CA CYS A 156 -12.365 -2.612 -2.365 1.00 0.00 C ATOM 974 C CYS A 156 -13.707 -3.187 -2.800 1.00 0.00 C ATOM 975 O CYS A 156 -14.016 -3.237 -3.991 1.00 0.00 O ATOM 976 CB CYS A 156 -12.401 -1.086 -2.450 1.00 0.00 C ATOM 977 SG CYS A 156 -10.901 -0.270 -1.819 1.00 0.00 S ATOM 0 H CYS A 156 -11.148 -2.654 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.179 -2.906 -1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.550 -0.794 -3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.262 -0.722 -1.890 1.00 0.00 H new ATOM 982 N GLN A 157 -14.499 -3.625 -1.827 1.00 0.00 N ATOM 983 CA GLN A 157 -15.808 -4.201 -2.114 1.00 0.00 C ATOM 984 C GLN A 157 -16.904 -3.472 -1.344 1.00 0.00 C ATOM 985 O GLN A 157 -16.751 -3.172 -0.162 1.00 0.00 O ATOM 986 CB GLN A 157 -15.821 -5.689 -1.758 1.00 0.00 C ATOM 987 CG GLN A 157 -17.131 -6.384 -2.092 1.00 0.00 C ATOM 988 CD GLN A 157 -17.129 -7.849 -1.703 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.298 -8.627 -2.173 1.00 0.00 O ATOM 990 NE2 GLN A 157 -18.062 -8.234 -0.840 1.00 0.00 N ATOM 0 H GLN A 157 -14.259 -3.592 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 157 -16.002 -4.087 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.010 -6.188 -2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.622 -5.801 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.948 -5.877 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.322 -6.296 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.731 -7.556 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.110 -9.208 -0.541 1.00 0.00 H new ATOM 999 N VAL A 158 -18.010 -3.189 -2.025 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.133 -2.496 -1.407 1.00 0.00 C ATOM 1001 C VAL A 158 -19.755 -3.341 -0.297 1.00 0.00 C ATOM 1002 O VAL A 158 -19.940 -4.549 -0.454 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.217 -2.143 -2.446 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.757 -3.401 -3.109 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.341 -1.345 -1.800 1.00 0.00 C ATOM 0 H VAL A 158 -18.152 -3.430 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.742 -1.573 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.762 -1.523 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.520 -3.129 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.944 -3.924 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.194 -4.052 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.095 -1.106 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.795 -1.935 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.939 -0.422 -1.383 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.076 -2.700 0.823 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.678 -3.397 1.955 1.00 0.00 C ATOM 1017 C ASN A 159 -22.025 -3.999 1.571 1.00 0.00 C ATOM 1018 O ASN A 159 -22.569 -3.608 0.517 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.852 -2.444 3.140 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.532 -1.903 3.651 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.645 -2.663 4.041 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.397 -0.583 3.657 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.526 -4.858 2.328 1.00 0.00 O ATOM 0 H ASN A 159 -19.930 -1.701 0.971 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.008 -4.206 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.490 -1.612 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.364 -2.965 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.532 -0.160 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.158 0.009 3.325 1.00 0.00 H new TER 1030 ASN A 159