USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 242 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 8 TYR OH : rot 180:sc= 0.0585 USER MOD Set 1.2: A 12 GLN :FLIP amide:sc= 0.324 F(o=-2.5!,f=0.38) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.17 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.0184 F(o=-1.2!,f=-0.018) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0925 F(o=-2.6!,f=-0.093) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00894) USER MOD Single : A 10 TYR OH : rot 163:sc= 0.455 USER MOD Single : A 14 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.61) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0757 F(o=-1.1,f=-0.076) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.0273 (180deg=-0.232) USER MOD Single : A 22 GLN : amide:sc= -2.49 K(o=-2.5,f=-4.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.63) USER MOD Single : A 26 MET CE :methyl 161:sc= -0.327 (180deg=-1.13) USER MOD Single : A 28 SER OG : rot -89:sc= -3.89! USER MOD Single : A 33 SER OG : rot -90:sc= -1.48! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.865 0.852 -2.080 1.00 0.00 N ATOM 2 CA ALA A 1 -16.116 1.284 -0.688 1.00 0.00 C ATOM 3 C ALA A 1 -15.468 2.637 -0.418 1.00 0.00 C ATOM 4 O ALA A 1 -16.152 3.611 -0.102 1.00 0.00 O ATOM 5 CB ALA A 1 -15.601 0.241 0.293 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.315 -0.071 -2.243 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.263 1.552 -2.738 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.840 0.771 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.192 1.388 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.793 0.574 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.111 -0.706 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.529 0.107 0.152 1.00 0.00 H new ATOM 10 N SER A 2 -14.151 2.697 -0.558 1.00 0.00 N ATOM 11 CA SER A 2 -13.407 3.921 -0.302 1.00 0.00 C ATOM 12 C SER A 2 -12.123 3.940 -1.142 1.00 0.00 C ATOM 13 O SER A 2 -11.029 3.723 -0.616 1.00 0.00 O ATOM 14 CB SER A 2 -13.077 4.020 1.202 1.00 0.00 C ATOM 15 OG SER A 2 -12.471 2.824 1.672 1.00 0.00 O ATOM 0 H SER A 2 -13.574 1.908 -0.849 1.00 0.00 H new ATOM 0 HA SER A 2 -14.014 4.781 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.408 4.863 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.989 4.215 1.766 1.00 0.00 H new ATOM 0 HG SER A 2 -11.681 2.622 1.129 1.00 0.00 H new ATOM 21 N PRO A 3 -12.244 4.181 -2.466 1.00 0.00 N ATOM 22 CA PRO A 3 -11.099 4.155 -3.391 1.00 0.00 C ATOM 23 C PRO A 3 -9.920 5.006 -2.932 1.00 0.00 C ATOM 24 O PRO A 3 -8.766 4.626 -3.119 1.00 0.00 O ATOM 25 CB PRO A 3 -11.681 4.710 -4.690 1.00 0.00 C ATOM 26 CG PRO A 3 -13.114 4.331 -4.634 1.00 0.00 C ATOM 27 CD PRO A 3 -13.509 4.475 -3.180 1.00 0.00 C ATOM 0 HA PRO A 3 -10.686 3.150 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.557 5.791 -4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.189 4.281 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.717 4.978 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.265 3.309 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.876 5.477 -2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.300 3.778 -2.905 1.00 0.00 H new ATOM 35 N GLN A 4 -10.208 6.145 -2.312 1.00 0.00 N ATOM 36 CA GLN A 4 -9.153 7.059 -1.879 1.00 0.00 C ATOM 37 C GLN A 4 -8.310 6.435 -0.779 1.00 0.00 C ATOM 38 O GLN A 4 -7.096 6.618 -0.737 1.00 0.00 O ATOM 39 CB GLN A 4 -9.732 8.390 -1.389 1.00 0.00 C ATOM 40 CG GLN A 4 -10.408 9.222 -2.478 1.00 0.00 C ATOM 41 CD GLN A 4 -10.891 10.567 -1.969 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.200 11.118 -0.984 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -11.878 11.111 -2.463 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.155 6.458 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.521 7.253 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.456 8.189 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.930 8.979 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.707 9.378 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.254 8.666 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.385 10.655 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.189 12.018 -2.114 1.00 0.00 H new ATOM 52 N GLN A 5 -8.956 5.690 0.101 1.00 0.00 N ATOM 53 CA GLN A 5 -8.252 5.038 1.199 1.00 0.00 C ATOM 54 C GLN A 5 -7.359 3.929 0.671 1.00 0.00 C ATOM 55 O GLN A 5 -6.202 3.803 1.075 1.00 0.00 O ATOM 56 CB GLN A 5 -9.232 4.476 2.231 1.00 0.00 C ATOM 57 CG GLN A 5 -9.952 5.549 3.043 1.00 0.00 C ATOM 58 CD GLN A 5 -9.139 6.049 4.231 1.00 0.00 C ATOM 59 OE1 GLN A 5 -7.818 5.964 4.148 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -9.701 6.493 5.230 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.962 5.520 0.080 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.634 5.789 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.973 3.863 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.691 3.819 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.188 6.391 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.900 5.149 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.719 6.545 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.149 6.810 6.027 1.00 0.00 H new ATOM 69 N ALA A 6 -7.897 3.137 -0.241 1.00 0.00 N ATOM 70 CA ALA A 6 -7.131 2.068 -0.860 1.00 0.00 C ATOM 71 C ALA A 6 -5.970 2.639 -1.655 1.00 0.00 C ATOM 72 O ALA A 6 -4.843 2.153 -1.561 1.00 0.00 O ATOM 73 CB ALA A 6 -8.015 1.213 -1.754 1.00 0.00 C ATOM 0 H ALA A 6 -8.860 3.214 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.734 1.433 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.418 0.420 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.815 0.771 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.447 1.834 -2.539 1.00 0.00 H new ATOM 79 N LYS A 7 -6.242 3.696 -2.406 1.00 0.00 N ATOM 80 CA LYS A 7 -5.232 4.310 -3.249 1.00 0.00 C ATOM 81 C LYS A 7 -4.146 4.946 -2.388 1.00 0.00 C ATOM 82 O LYS A 7 -2.976 4.959 -2.765 1.00 0.00 O ATOM 83 CB LYS A 7 -5.870 5.360 -4.162 1.00 0.00 C ATOM 84 CG LYS A 7 -5.043 5.701 -5.393 1.00 0.00 C ATOM 85 CD LYS A 7 -4.873 4.475 -6.295 1.00 0.00 C ATOM 86 CE LYS A 7 -4.279 4.838 -7.655 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.920 5.425 -7.535 1.00 0.00 N ATOM 0 H LYS A 7 -7.157 4.146 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.778 3.539 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.848 5.000 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.038 6.271 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.527 6.503 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.064 6.071 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.228 3.749 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.841 3.995 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.234 3.946 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.936 5.547 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.543 5.624 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.971 6.309 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.293 4.753 -7.048 1.00 0.00 H new ATOM 101 N TYR A 8 -4.541 5.458 -1.225 1.00 0.00 N ATOM 102 CA TYR A 8 -3.598 6.056 -0.288 1.00 0.00 C ATOM 103 C TYR A 8 -2.698 4.981 0.315 1.00 0.00 C ATOM 104 O TYR A 8 -1.484 5.168 0.444 1.00 0.00 O ATOM 105 CB TYR A 8 -4.342 6.805 0.821 1.00 0.00 C ATOM 106 CG TYR A 8 -3.438 7.624 1.712 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.933 8.842 1.282 1.00 0.00 C ATOM 108 CD2 TYR A 8 -3.093 7.180 2.982 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.109 9.597 2.092 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.269 7.930 3.798 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.780 9.138 3.351 1.00 0.00 C ATOM 112 OH TYR A 8 -0.954 9.887 4.161 1.00 0.00 O ATOM 0 H TYR A 8 -5.511 5.470 -0.910 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.979 6.769 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.084 7.463 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.885 6.085 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.189 9.206 0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.475 6.234 3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.723 10.543 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.009 7.571 4.783 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.823 9.422 5.014 1.00 0.00 H new ATOM 122 N CYS A 9 -3.301 3.850 0.671 1.00 0.00 N ATOM 123 CA CYS A 9 -2.561 2.725 1.238 1.00 0.00 C ATOM 124 C CYS A 9 -1.530 2.210 0.234 1.00 0.00 C ATOM 125 O CYS A 9 -0.360 2.019 0.576 1.00 0.00 O ATOM 126 CB CYS A 9 -3.523 1.593 1.648 1.00 0.00 C ATOM 127 SG CYS A 9 -2.726 0.215 2.540 1.00 0.00 S ATOM 0 H CYS A 9 -4.304 3.687 0.577 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.039 3.070 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.309 2.011 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.005 1.200 0.753 1.00 0.00 H new ATOM 132 N TYR A 10 -1.967 2.023 -1.009 1.00 0.00 N ATOM 133 CA TYR A 10 -1.088 1.547 -2.077 1.00 0.00 C ATOM 134 C TYR A 10 -0.087 2.616 -2.499 1.00 0.00 C ATOM 135 O TYR A 10 0.916 2.316 -3.137 1.00 0.00 O ATOM 136 CB TYR A 10 -1.900 1.103 -3.297 1.00 0.00 C ATOM 137 CG TYR A 10 -2.548 -0.250 -3.137 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.888 -0.377 -2.800 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.808 -1.404 -3.327 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.469 -1.620 -2.656 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.378 -2.647 -3.187 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.711 -2.755 -2.851 1.00 0.00 C ATOM 143 OH TYR A 10 -4.284 -4.001 -2.702 1.00 0.00 O ATOM 0 H TYR A 10 -2.928 2.194 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.539 0.694 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.673 1.845 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.246 1.082 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.485 0.510 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.763 -1.327 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.513 -1.704 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.784 -3.536 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.712 -4.676 -3.123 1.00 0.00 H new ATOM 153 N GLU A 11 -0.377 3.860 -2.170 1.00 0.00 N ATOM 154 CA GLU A 11 0.526 4.956 -2.478 1.00 0.00 C ATOM 155 C GLU A 11 1.722 4.935 -1.539 1.00 0.00 C ATOM 156 O GLU A 11 2.856 4.701 -1.953 1.00 0.00 O ATOM 157 CB GLU A 11 -0.198 6.298 -2.341 1.00 0.00 C ATOM 158 CG GLU A 11 0.614 7.484 -2.827 1.00 0.00 C ATOM 159 CD GLU A 11 0.973 7.382 -4.293 1.00 0.00 C ATOM 160 OE1 GLU A 11 0.096 7.003 -5.100 1.00 0.00 O ATOM 161 OE2 GLU A 11 2.121 7.706 -4.650 1.00 0.00 O ATOM 0 H GLU A 11 -1.232 4.139 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 11 0.870 4.835 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.132 6.255 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.460 6.454 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.048 8.400 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.528 7.560 -2.237 1.00 0.00 H new ATOM 168 N GLN A 12 1.444 5.135 -0.261 1.00 0.00 N ATOM 169 CA GLN A 12 2.488 5.370 0.725 1.00 0.00 C ATOM 170 C GLN A 12 3.305 4.115 1.010 1.00 0.00 C ATOM 171 O GLN A 12 4.418 4.209 1.519 1.00 0.00 O ATOM 172 CB GLN A 12 1.878 5.921 2.016 1.00 0.00 C ATOM 173 CG GLN A 12 1.088 7.203 1.808 1.00 0.00 C ATOM 174 CD GLN A 12 1.942 8.461 1.823 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.204 8.342 1.449 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.467 9.538 2.181 1.00 0.00 N flip ATOM 0 H GLN A 12 0.498 5.139 0.120 1.00 0.00 H new ATOM 0 HA GLN A 12 3.173 6.108 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.224 5.166 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.675 6.106 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.562 7.144 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.329 7.281 2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.489 9.595 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.052 10.374 2.195 1.00 0.00 H new ATOM 185 N CYS A 13 2.771 2.948 0.663 1.00 0.00 N ATOM 186 CA CYS A 13 3.449 1.690 0.962 1.00 0.00 C ATOM 187 C CYS A 13 4.808 1.624 0.256 1.00 0.00 C ATOM 188 O CYS A 13 5.844 1.477 0.905 1.00 0.00 O ATOM 189 CB CYS A 13 2.565 0.491 0.568 1.00 0.00 C ATOM 190 SG CYS A 13 2.243 0.345 -1.218 1.00 0.00 S ATOM 0 H CYS A 13 1.879 2.846 0.179 1.00 0.00 H new ATOM 0 HA CYS A 13 3.626 1.643 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.043 -0.426 0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.612 0.571 1.091 1.00 0.00 H new ATOM 195 N ASN A 14 4.808 1.761 -1.064 1.00 0.00 N ATOM 196 CA ASN A 14 6.053 1.749 -1.829 1.00 0.00 C ATOM 197 C ASN A 14 6.835 3.040 -1.635 1.00 0.00 C ATOM 198 O ASN A 14 8.062 3.047 -1.737 1.00 0.00 O ATOM 199 CB ASN A 14 5.786 1.516 -3.321 1.00 0.00 C ATOM 200 CG ASN A 14 4.746 2.469 -3.901 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.567 2.133 -3.953 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.153 3.665 -4.320 1.00 0.00 N ATOM 0 H ASN A 14 3.966 1.881 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 14 6.654 0.922 -1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.720 1.628 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.450 0.489 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.478 4.330 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.140 3.916 -4.264 1.00 0.00 H new ATOM 209 N VAL A 15 6.125 4.131 -1.366 1.00 0.00 N ATOM 210 CA VAL A 15 6.769 5.413 -1.122 1.00 0.00 C ATOM 211 C VAL A 15 7.661 5.336 0.115 1.00 0.00 C ATOM 212 O VAL A 15 8.730 5.947 0.156 1.00 0.00 O ATOM 213 CB VAL A 15 5.745 6.563 -0.959 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.429 7.843 -0.497 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.998 6.817 -2.264 1.00 0.00 C ATOM 0 H VAL A 15 5.107 4.151 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 15 7.378 5.634 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 15 5.027 6.257 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.687 8.634 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.915 7.670 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.176 8.142 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.285 7.629 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.709 7.090 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.465 5.913 -2.560 1.00 0.00 H new ATOM 225 N ASN A 16 7.233 4.581 1.123 1.00 0.00 N ATOM 226 CA ASN A 16 8.070 4.395 2.301 1.00 0.00 C ATOM 227 C ASN A 16 9.174 3.396 1.984 1.00 0.00 C ATOM 228 O ASN A 16 10.316 3.796 1.739 1.00 0.00 O ATOM 229 CB ASN A 16 7.238 3.902 3.497 1.00 0.00 C ATOM 230 CG ASN A 16 6.145 4.871 3.904 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.375 6.154 3.690 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 5.097 4.466 4.409 1.00 0.00 N flip ATOM 0 H ASN A 16 6.334 4.099 1.149 1.00 0.00 H new ATOM 0 HA ASN A 16 8.511 5.355 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.788 2.941 3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.900 3.733 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.956 3.467 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.370 5.130 4.677 1.00 0.00 H new ATOM 239 N LYS A 17 8.817 2.106 1.954 1.00 0.00 N ATOM 240 CA LYS A 17 9.668 1.053 1.406 1.00 0.00 C ATOM 241 C LYS A 17 9.015 -0.328 1.610 1.00 0.00 C ATOM 242 O LYS A 17 9.278 -1.008 2.602 1.00 0.00 O ATOM 243 CB LYS A 17 11.106 1.073 1.997 1.00 0.00 C ATOM 244 CG LYS A 17 11.232 0.747 3.490 1.00 0.00 C ATOM 245 CD LYS A 17 10.729 1.877 4.387 1.00 0.00 C ATOM 246 CE LYS A 17 10.888 1.523 5.861 1.00 0.00 C ATOM 247 NZ LYS A 17 10.113 0.309 6.237 1.00 0.00 N ATOM 0 H LYS A 17 7.924 1.766 2.312 1.00 0.00 H new ATOM 0 HA LYS A 17 9.766 1.248 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.715 0.362 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.533 2.061 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.670 -0.161 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.276 0.540 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.281 2.791 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.680 2.078 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.943 1.361 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.560 2.364 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.084 0.223 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.143 0.388 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.569 -0.533 5.832 1.00 0.00 H new ATOM 261 N VAL A 18 8.151 -0.757 0.692 1.00 0.00 N ATOM 262 CA VAL A 18 7.605 -2.112 0.776 1.00 0.00 C ATOM 263 C VAL A 18 7.456 -2.703 -0.628 1.00 0.00 C ATOM 264 O VAL A 18 7.136 -1.988 -1.585 1.00 0.00 O ATOM 265 CB VAL A 18 6.227 -2.189 1.516 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.126 -1.176 2.653 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.068 -2.044 0.545 1.00 0.00 C ATOM 0 H VAL A 18 7.820 -0.204 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 18 8.316 -2.689 1.367 1.00 0.00 H new ATOM 0 HB VAL A 18 6.165 -3.180 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.153 -1.267 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.913 -1.368 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.240 -0.168 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.126 -2.102 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.135 -1.081 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.109 -2.845 -0.193 1.00 0.00 H new ATOM 277 N PRO A 19 7.732 -4.008 -0.772 1.00 0.00 N ATOM 278 CA PRO A 19 7.464 -4.748 -2.010 1.00 0.00 C ATOM 279 C PRO A 19 5.970 -4.766 -2.341 1.00 0.00 C ATOM 280 O PRO A 19 5.140 -4.667 -1.432 1.00 0.00 O ATOM 281 CB PRO A 19 7.953 -6.169 -1.701 1.00 0.00 C ATOM 282 CG PRO A 19 8.887 -6.015 -0.550 1.00 0.00 C ATOM 283 CD PRO A 19 8.358 -4.858 0.249 1.00 0.00 C ATOM 0 HA PRO A 19 7.957 -4.298 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.121 -6.826 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.457 -6.609 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.921 -6.923 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.903 -5.822 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.638 -5.182 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.155 -4.334 0.776 1.00 0.00 H new ATOM 291 N PHE A 20 5.619 -4.892 -3.617 1.00 0.00 N ATOM 292 CA PHE A 20 4.215 -4.826 -4.028 1.00 0.00 C ATOM 293 C PHE A 20 3.364 -5.854 -3.280 1.00 0.00 C ATOM 294 O PHE A 20 2.267 -5.536 -2.815 1.00 0.00 O ATOM 295 CB PHE A 20 4.066 -5.028 -5.542 1.00 0.00 C ATOM 296 CG PHE A 20 2.656 -4.821 -6.026 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.200 -3.551 -6.341 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.784 -5.892 -6.158 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.905 -3.352 -6.779 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.488 -5.699 -6.597 1.00 0.00 C ATOM 301 CZ PHE A 20 0.047 -4.427 -6.908 1.00 0.00 C ATOM 0 H PHE A 20 6.279 -5.039 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 20 3.856 -3.829 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.728 -4.336 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.390 -6.036 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.865 -2.706 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.122 -6.888 -5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.563 -2.356 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.180 -6.542 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.966 -4.274 -7.251 1.00 0.00 H new ATOM 311 N ASP A 21 3.878 -7.073 -3.145 1.00 0.00 N ATOM 312 CA ASP A 21 3.143 -8.141 -2.473 1.00 0.00 C ATOM 313 C ASP A 21 2.844 -7.770 -1.024 1.00 0.00 C ATOM 314 O ASP A 21 1.764 -8.061 -0.516 1.00 0.00 O ATOM 315 CB ASP A 21 3.910 -9.466 -2.523 1.00 0.00 C ATOM 316 CG ASP A 21 5.237 -9.415 -1.796 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.281 -9.782 -0.605 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.244 -9.018 -2.413 1.00 0.00 O ATOM 0 H ASP A 21 4.798 -7.346 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 21 2.201 -8.269 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.294 -10.252 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.084 -9.739 -3.564 1.00 0.00 H new ATOM 323 N GLN A 22 3.797 -7.121 -0.366 1.00 0.00 N ATOM 324 CA GLN A 22 3.590 -6.650 0.994 1.00 0.00 C ATOM 325 C GLN A 22 2.559 -5.529 1.008 1.00 0.00 C ATOM 326 O GLN A 22 1.732 -5.443 1.914 1.00 0.00 O ATOM 327 CB GLN A 22 4.901 -6.156 1.612 1.00 0.00 C ATOM 328 CG GLN A 22 4.749 -5.724 3.059 1.00 0.00 C ATOM 329 CD GLN A 22 5.980 -5.026 3.599 1.00 0.00 C ATOM 330 OE1 GLN A 22 7.101 -5.286 3.163 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.783 -4.138 4.559 1.00 0.00 N ATOM 0 H GLN A 22 4.717 -6.910 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 22 3.224 -7.487 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.646 -6.949 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.279 -5.318 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.892 -5.056 3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.535 -6.599 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.838 -3.950 4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.576 -3.641 4.965 1.00 0.00 H new ATOM 340 N CYS A 23 2.602 -4.675 -0.007 1.00 0.00 N ATOM 341 CA CYS A 23 1.616 -3.604 -0.128 1.00 0.00 C ATOM 342 C CYS A 23 0.229 -4.210 -0.281 1.00 0.00 C ATOM 343 O CYS A 23 -0.730 -3.767 0.353 1.00 0.00 O ATOM 344 CB CYS A 23 1.921 -2.673 -1.315 1.00 0.00 C ATOM 345 SG CYS A 23 0.898 -1.167 -1.348 1.00 0.00 S ATOM 0 H CYS A 23 3.299 -4.700 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 23 1.660 -2.999 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.972 -2.387 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.772 -3.223 -2.244 1.00 0.00 H new ATOM 350 N TYR A 24 0.135 -5.247 -1.103 1.00 0.00 N ATOM 351 CA TYR A 24 -1.118 -5.957 -1.285 1.00 0.00 C ATOM 352 C TYR A 24 -1.560 -6.595 0.022 1.00 0.00 C ATOM 353 O TYR A 24 -2.729 -6.531 0.368 1.00 0.00 O ATOM 354 CB TYR A 24 -0.994 -7.033 -2.374 1.00 0.00 C ATOM 355 CG TYR A 24 -2.321 -7.641 -2.760 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.805 -8.769 -2.113 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.092 -7.078 -3.764 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.021 -9.319 -2.457 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.309 -7.622 -4.116 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.771 -8.744 -3.460 1.00 0.00 C ATOM 361 OH TYR A 24 -5.986 -9.287 -3.806 1.00 0.00 O ATOM 0 H TYR A 24 0.913 -5.613 -1.653 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.868 -5.232 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.531 -6.595 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.328 -7.821 -2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.220 -9.223 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.734 -6.199 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.384 -10.197 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.898 -7.172 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.386 -8.760 -4.530 1.00 0.00 H new ATOM 371 N GLN A 25 -0.617 -7.166 0.764 1.00 0.00 N ATOM 372 CA GLN A 25 -0.956 -7.949 1.951 1.00 0.00 C ATOM 373 C GLN A 25 -1.487 -7.051 3.066 1.00 0.00 C ATOM 374 O GLN A 25 -2.277 -7.489 3.901 1.00 0.00 O ATOM 375 CB GLN A 25 0.260 -8.760 2.451 1.00 0.00 C ATOM 376 CG GLN A 25 1.145 -8.013 3.447 1.00 0.00 C ATOM 377 CD GLN A 25 2.328 -8.834 3.911 1.00 0.00 C ATOM 378 OE1 GLN A 25 2.850 -9.673 3.174 1.00 0.00 O ATOM 379 NE2 GLN A 25 2.759 -8.601 5.138 1.00 0.00 N ATOM 0 H GLN A 25 0.382 -7.103 0.568 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.742 -8.650 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.097 -9.678 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.865 -9.052 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.505 -7.093 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.547 -7.724 4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.298 -7.897 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.552 -9.125 5.508 1.00 0.00 H new ATOM 388 N MET A 26 -1.048 -5.802 3.082 1.00 0.00 N ATOM 389 CA MET A 26 -1.488 -4.859 4.100 1.00 0.00 C ATOM 390 C MET A 26 -2.782 -4.164 3.690 1.00 0.00 C ATOM 391 O MET A 26 -3.698 -4.018 4.497 1.00 0.00 O ATOM 392 CB MET A 26 -0.389 -3.828 4.365 1.00 0.00 C ATOM 393 CG MET A 26 -0.839 -2.626 5.192 1.00 0.00 C ATOM 394 SD MET A 26 0.486 -1.424 5.450 1.00 0.00 S ATOM 395 CE MET A 26 1.053 -1.145 3.770 1.00 0.00 C ATOM 0 H MET A 26 -0.389 -5.418 2.404 1.00 0.00 H new ATOM 0 HA MET A 26 -1.686 -5.415 5.017 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.437 -4.319 4.880 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.003 -3.473 3.410 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.675 -2.138 4.691 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.204 -2.971 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.612 -0.210 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.698 -1.968 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.194 -1.087 3.101 1.00 0.00 H new ATOM 405 N CYS A 27 -2.863 -3.743 2.435 1.00 0.00 N ATOM 406 CA CYS A 27 -4.029 -3.003 1.961 1.00 0.00 C ATOM 407 C CYS A 27 -5.175 -3.938 1.556 1.00 0.00 C ATOM 408 O CYS A 27 -6.284 -3.475 1.277 1.00 0.00 O ATOM 409 CB CYS A 27 -3.645 -2.105 0.778 1.00 0.00 C ATOM 410 SG CYS A 27 -2.168 -1.073 1.070 1.00 0.00 S ATOM 0 H CYS A 27 -2.142 -3.899 1.730 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.380 -2.385 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.470 -2.731 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.487 -1.455 0.541 1.00 0.00 H new ATOM 415 N SER A 28 -4.919 -5.245 1.517 1.00 0.00 N ATOM 416 CA SER A 28 -5.953 -6.208 1.144 1.00 0.00 C ATOM 417 C SER A 28 -7.150 -6.210 2.117 1.00 0.00 C ATOM 418 O SER A 28 -8.285 -6.106 1.657 1.00 0.00 O ATOM 419 CB SER A 28 -5.369 -7.619 0.951 1.00 0.00 C ATOM 420 OG SER A 28 -4.539 -8.008 2.030 1.00 0.00 O ATOM 0 H SER A 28 -4.013 -5.658 1.737 1.00 0.00 H new ATOM 0 HA SER A 28 -6.346 -5.880 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.183 -8.336 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.795 -7.649 0.025 1.00 0.00 H new ATOM 0 HG SER A 28 -3.618 -7.722 1.854 1.00 0.00 H new ATOM 426 N PRO A 29 -6.947 -6.296 3.460 1.00 0.00 N ATOM 427 CA PRO A 29 -8.064 -6.265 4.427 1.00 0.00 C ATOM 428 C PRO A 29 -8.886 -4.978 4.342 1.00 0.00 C ATOM 429 O PRO A 29 -9.962 -4.869 4.932 1.00 0.00 O ATOM 430 CB PRO A 29 -7.372 -6.360 5.790 1.00 0.00 C ATOM 431 CG PRO A 29 -6.060 -7.003 5.500 1.00 0.00 C ATOM 432 CD PRO A 29 -5.654 -6.474 4.150 1.00 0.00 C ATOM 0 HA PRO A 29 -8.775 -7.069 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.241 -5.375 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.958 -6.953 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.321 -6.751 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.148 -8.089 5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.108 -5.534 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.007 -7.173 3.620 1.00 0.00 H new ATOM 440 N LEU A 30 -8.363 -4.004 3.616 1.00 0.00 N ATOM 441 CA LEU A 30 -9.044 -2.738 3.410 1.00 0.00 C ATOM 442 C LEU A 30 -9.912 -2.825 2.155 1.00 0.00 C ATOM 443 O LEU A 30 -11.138 -2.742 2.223 1.00 0.00 O ATOM 444 CB LEU A 30 -8.005 -1.608 3.265 1.00 0.00 C ATOM 445 CG LEU A 30 -8.490 -0.172 3.549 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.359 0.813 3.295 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.702 0.204 2.702 1.00 0.00 C ATOM 0 H LEU A 30 -7.456 -4.069 3.154 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.681 -2.521 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.174 -1.824 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.611 -1.638 2.249 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.794 -0.129 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.707 1.826 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.520 0.580 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.039 0.740 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.008 1.224 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.442 0.137 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.523 -0.480 2.918 1.00 0.00 H new ATOM 459 N GLU A 31 -9.264 -3.016 1.016 1.00 0.00 N ATOM 460 CA GLU A 31 -9.947 -2.936 -0.271 1.00 0.00 C ATOM 461 C GLU A 31 -10.709 -4.219 -0.600 1.00 0.00 C ATOM 462 O GLU A 31 -11.934 -4.200 -0.694 1.00 0.00 O ATOM 463 CB GLU A 31 -8.957 -2.591 -1.384 1.00 0.00 C ATOM 464 CG GLU A 31 -9.628 -2.351 -2.736 1.00 0.00 C ATOM 465 CD GLU A 31 -10.843 -1.447 -2.645 1.00 0.00 C ATOM 466 OE1 GLU A 31 -10.685 -0.242 -2.369 1.00 0.00 O ATOM 467 OE2 GLU A 31 -11.966 -1.935 -2.879 1.00 0.00 O ATOM 0 H GLU A 31 -8.268 -3.227 0.954 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.684 -2.137 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.398 -1.699 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.235 -3.402 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.904 -1.909 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.926 -3.309 -3.162 1.00 0.00 H new ATOM 474 N ARG A 32 -10.004 -5.331 -0.761 1.00 0.00 N ATOM 475 CA ARG A 32 -10.659 -6.565 -1.192 1.00 0.00 C ATOM 476 C ARG A 32 -10.520 -7.674 -0.153 1.00 0.00 C ATOM 477 O ARG A 32 -9.424 -8.164 0.123 1.00 0.00 O ATOM 478 CB ARG A 32 -10.152 -7.053 -2.575 1.00 0.00 C ATOM 479 CG ARG A 32 -8.633 -7.276 -2.690 1.00 0.00 C ATOM 480 CD ARG A 32 -7.872 -5.979 -2.952 1.00 0.00 C ATOM 481 NE ARG A 32 -8.387 -5.277 -4.132 1.00 0.00 N ATOM 482 CZ ARG A 32 -7.734 -4.314 -4.786 1.00 0.00 C ATOM 483 NH1 ARG A 32 -6.523 -3.932 -4.401 1.00 0.00 N ATOM 484 NH2 ARG A 32 -8.301 -3.732 -5.835 1.00 0.00 N ATOM 0 H ARG A 32 -8.999 -5.408 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.717 -6.324 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.657 -7.988 -2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.452 -6.325 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.265 -7.731 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.432 -7.981 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.949 -5.330 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.814 -6.200 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.309 -5.543 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.080 -4.376 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.035 -3.195 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.231 -4.021 -6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.807 -2.995 -6.339 1.00 0.00 H new ATOM 498 N SER A 33 -11.649 -8.050 0.430 1.00 0.00 N ATOM 499 CA SER A 33 -11.711 -9.148 1.385 1.00 0.00 C ATOM 500 C SER A 33 -13.074 -9.826 1.287 1.00 0.00 C ATOM 501 CB SER A 33 -11.466 -8.649 2.816 1.00 0.00 C ATOM 502 OG SER A 33 -10.181 -8.061 2.943 1.00 0.00 O ATOM 0 H SER A 33 -12.549 -7.602 0.254 1.00 0.00 H new ATOM 0 HA SER A 33 -10.928 -9.867 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.230 -7.920 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.559 -9.481 3.514 1.00 0.00 H new ATOM 0 HG SER A 33 -9.531 -8.748 3.200 1.00 0.00 H new TER 508 SER A 33