USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=15 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 22 GLN : amide:sc= -3.37! C(o=-3.6!,f=-7.4!) USER MOD Set 1.2: A 26 MET CE :methyl -161:sc= -0.217 (180deg=-0.743) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.108 (180deg=0) USER MOD Single : A 2 SER OG : rot 177:sc= -2.02! USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0403 F(o=-2.3!,f=-0.04) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0.892 (180deg=0.785) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.051 USER MOD Single : A 12 GLN :FLIP amide:sc= 0.029 F(o=-3.1!,f=0.029) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.297 F(o=-4.1!,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc=-0.00483 (180deg=-0.0987) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.124 F(o=-3.2!,f=-0.12) USER MOD Single : A 28 SER OG : rot 158:sc= 0.196 USER MOD Single : A 33 SER OG : rot 144:sc= 0.348 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.382 -0.073 2.969 1.00 0.00 N ATOM 2 CA ALA A 1 -15.369 0.154 1.917 1.00 0.00 C ATOM 3 C ALA A 1 -14.570 1.414 2.218 1.00 0.00 C ATOM 4 O ALA A 1 -14.966 2.220 3.061 1.00 0.00 O ATOM 5 CB ALA A 1 -16.034 0.263 0.553 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.160 -0.951 3.481 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.377 0.727 3.634 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.323 -0.155 2.533 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.688 -0.697 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.274 0.430 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.570 -0.661 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.735 1.098 0.556 1.00 0.00 H new ATOM 10 N SER A 2 -13.455 1.584 1.526 1.00 0.00 N ATOM 11 CA SER A 2 -12.587 2.734 1.754 1.00 0.00 C ATOM 12 C SER A 2 -11.738 3.011 0.505 1.00 0.00 C ATOM 13 O SER A 2 -10.510 2.922 0.550 1.00 0.00 O ATOM 14 CB SER A 2 -11.683 2.460 2.971 1.00 0.00 C ATOM 15 OG SER A 2 -11.131 3.657 3.489 1.00 0.00 O ATOM 0 H SER A 2 -13.128 0.943 0.803 1.00 0.00 H new ATOM 0 HA SER A 2 -13.197 3.614 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.260 1.958 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.879 1.782 2.683 1.00 0.00 H new ATOM 0 HG SER A 2 -10.603 3.454 4.289 1.00 0.00 H new ATOM 21 N PRO A 3 -12.388 3.347 -0.634 1.00 0.00 N ATOM 22 CA PRO A 3 -11.695 3.566 -1.916 1.00 0.00 C ATOM 23 C PRO A 3 -10.562 4.592 -1.830 1.00 0.00 C ATOM 24 O PRO A 3 -9.461 4.359 -2.335 1.00 0.00 O ATOM 25 CB PRO A 3 -12.804 4.078 -2.841 1.00 0.00 C ATOM 26 CG PRO A 3 -14.054 3.517 -2.269 1.00 0.00 C ATOM 27 CD PRO A 3 -13.851 3.525 -0.769 1.00 0.00 C ATOM 0 HA PRO A 3 -11.210 2.652 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.831 5.167 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.652 3.743 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.919 4.117 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.234 2.506 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.188 4.460 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.403 2.721 -0.282 1.00 0.00 H new ATOM 35 N GLN A 4 -10.833 5.718 -1.184 1.00 0.00 N ATOM 36 CA GLN A 4 -9.868 6.805 -1.095 1.00 0.00 C ATOM 37 C GLN A 4 -8.657 6.398 -0.261 1.00 0.00 C ATOM 38 O GLN A 4 -7.512 6.595 -0.669 1.00 0.00 O ATOM 39 CB GLN A 4 -10.533 8.047 -0.491 1.00 0.00 C ATOM 40 CG GLN A 4 -9.596 9.236 -0.326 1.00 0.00 C ATOM 41 CD GLN A 4 -10.233 10.372 0.454 1.00 0.00 C ATOM 42 OE1 GLN A 4 -11.546 10.509 0.353 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -9.547 11.120 1.150 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.718 5.903 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.521 7.037 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.369 8.342 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.947 7.787 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.689 8.912 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.296 9.598 -1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.538 10.984 1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.988 11.876 1.674 1.00 0.00 H new ATOM 52 N GLN A 5 -8.914 5.812 0.899 1.00 0.00 N ATOM 53 CA GLN A 5 -7.834 5.394 1.786 1.00 0.00 C ATOM 54 C GLN A 5 -7.043 4.248 1.172 1.00 0.00 C ATOM 55 O GLN A 5 -5.840 4.118 1.401 1.00 0.00 O ATOM 56 CB GLN A 5 -8.368 4.989 3.160 1.00 0.00 C ATOM 57 CG GLN A 5 -8.808 6.170 4.028 1.00 0.00 C ATOM 58 CD GLN A 5 -7.659 6.819 4.789 1.00 0.00 C ATOM 59 OE1 GLN A 5 -6.445 6.726 4.262 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -7.861 7.388 5.862 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.852 5.616 1.248 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.169 6.248 1.918 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.214 4.315 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.596 4.430 3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.285 6.919 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.559 5.829 4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.807 7.442 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.083 7.805 6.373 1.00 0.00 H new ATOM 69 N ALA A 6 -7.723 3.423 0.388 1.00 0.00 N ATOM 70 CA ALA A 6 -7.069 2.342 -0.338 1.00 0.00 C ATOM 71 C ALA A 6 -6.032 2.898 -1.300 1.00 0.00 C ATOM 72 O ALA A 6 -4.930 2.361 -1.417 1.00 0.00 O ATOM 73 CB ALA A 6 -8.085 1.509 -1.098 1.00 0.00 C ATOM 0 H ALA A 6 -8.730 3.482 0.238 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.570 1.702 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.573 0.709 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.800 1.078 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.613 2.141 -1.812 1.00 0.00 H new ATOM 79 N LYS A 7 -6.383 3.987 -1.971 1.00 0.00 N ATOM 80 CA LYS A 7 -5.484 4.620 -2.925 1.00 0.00 C ATOM 81 C LYS A 7 -4.252 5.158 -2.203 1.00 0.00 C ATOM 82 O LYS A 7 -3.132 5.042 -2.697 1.00 0.00 O ATOM 83 CB LYS A 7 -6.209 5.742 -3.679 1.00 0.00 C ATOM 84 CG LYS A 7 -5.352 6.446 -4.722 1.00 0.00 C ATOM 85 CD LYS A 7 -4.774 5.460 -5.742 1.00 0.00 C ATOM 86 CE LYS A 7 -4.028 6.184 -6.861 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.939 7.056 -6.340 1.00 0.00 N ATOM 0 H LYS A 7 -7.286 4.451 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.160 3.877 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.089 5.326 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.564 6.479 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.951 7.195 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.538 6.976 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.097 4.770 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.580 4.862 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.606 5.450 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.732 6.788 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.505 7.578 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.333 7.730 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.217 6.469 -5.875 1.00 0.00 H new ATOM 101 N TYR A 8 -4.469 5.719 -1.021 1.00 0.00 N ATOM 102 CA TYR A 8 -3.378 6.217 -0.193 1.00 0.00 C ATOM 103 C TYR A 8 -2.491 5.062 0.266 1.00 0.00 C ATOM 104 O TYR A 8 -1.263 5.177 0.280 1.00 0.00 O ATOM 105 CB TYR A 8 -3.940 6.966 1.022 1.00 0.00 C ATOM 106 CG TYR A 8 -2.891 7.669 1.851 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.444 8.935 1.507 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.356 7.066 2.984 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.490 9.584 2.267 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.402 7.707 3.748 1.00 0.00 C ATOM 111 CZ TYR A 8 -0.972 8.966 3.386 1.00 0.00 C ATOM 112 OH TYR A 8 -0.019 9.606 4.145 1.00 0.00 O ATOM 0 H TYR A 8 -5.395 5.841 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.775 6.905 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.668 7.700 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.475 6.259 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.848 9.422 0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.692 6.081 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.152 10.570 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.995 7.225 4.624 1.00 0.00 H new ATOM 0 HH TYR A 8 0.239 9.033 4.897 1.00 0.00 H new ATOM 122 N CYS A 9 -3.125 3.948 0.622 1.00 0.00 N ATOM 123 CA CYS A 9 -2.409 2.767 1.102 1.00 0.00 C ATOM 124 C CYS A 9 -1.463 2.246 0.023 1.00 0.00 C ATOM 125 O CYS A 9 -0.270 2.077 0.266 1.00 0.00 O ATOM 126 CB CYS A 9 -3.401 1.663 1.524 1.00 0.00 C ATOM 127 SG CYS A 9 -2.666 0.313 2.511 1.00 0.00 S ATOM 0 H CYS A 9 -4.138 3.837 0.587 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.821 3.052 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.207 2.118 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.851 1.236 0.628 1.00 0.00 H new ATOM 132 N TYR A 10 -1.993 2.037 -1.179 1.00 0.00 N ATOM 133 CA TYR A 10 -1.200 1.503 -2.284 1.00 0.00 C ATOM 134 C TYR A 10 -0.170 2.507 -2.780 1.00 0.00 C ATOM 135 O TYR A 10 0.841 2.130 -3.375 1.00 0.00 O ATOM 136 CB TYR A 10 -2.098 1.086 -3.450 1.00 0.00 C ATOM 137 CG TYR A 10 -2.826 -0.212 -3.228 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.178 -0.240 -2.906 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.155 -1.417 -3.351 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.835 -1.437 -2.712 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.803 -2.615 -3.160 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.143 -2.623 -2.841 1.00 0.00 C ATOM 143 OH TYR A 10 -4.789 -3.818 -2.644 1.00 0.00 O ATOM 0 H TYR A 10 -2.967 2.229 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.674 0.629 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.829 1.874 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.490 1.000 -4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.721 0.688 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.104 -1.416 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.885 -1.446 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.264 -3.545 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.158 -4.556 -2.774 1.00 0.00 H new ATOM 153 N GLU A 11 -0.430 3.781 -2.557 1.00 0.00 N ATOM 154 CA GLU A 11 0.482 4.814 -2.998 1.00 0.00 C ATOM 155 C GLU A 11 1.688 4.887 -2.070 1.00 0.00 C ATOM 156 O GLU A 11 2.820 4.677 -2.490 1.00 0.00 O ATOM 157 CB GLU A 11 -0.219 6.171 -3.048 1.00 0.00 C ATOM 158 CG GLU A 11 0.447 7.154 -3.992 1.00 0.00 C ATOM 159 CD GLU A 11 0.556 6.608 -5.403 1.00 0.00 C ATOM 160 OE1 GLU A 11 1.673 6.603 -5.960 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.476 6.173 -5.959 1.00 0.00 O ATOM 0 H GLU A 11 -1.262 4.123 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 11 0.821 4.561 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.255 6.026 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.241 6.598 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.122 8.084 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.443 7.395 -3.620 1.00 0.00 H new ATOM 168 N GLN A 12 1.431 5.142 -0.796 1.00 0.00 N ATOM 169 CA GLN A 12 2.502 5.415 0.150 1.00 0.00 C ATOM 170 C GLN A 12 3.240 4.153 0.574 1.00 0.00 C ATOM 171 O GLN A 12 4.361 4.240 1.065 1.00 0.00 O ATOM 172 CB GLN A 12 1.959 6.146 1.380 1.00 0.00 C ATOM 173 CG GLN A 12 1.266 7.454 1.048 1.00 0.00 C ATOM 174 CD GLN A 12 2.212 8.629 0.861 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.434 8.364 0.437 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.845 9.776 1.118 1.00 0.00 N flip ATOM 0 H GLN A 12 0.494 5.166 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 12 3.221 6.054 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.258 5.494 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.781 6.344 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.683 7.322 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.562 7.692 1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.893 9.946 1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.493 10.556 1.005 1.00 0.00 H new ATOM 185 N CYS A 13 2.631 2.987 0.375 1.00 0.00 N ATOM 186 CA CYS A 13 3.246 1.732 0.806 1.00 0.00 C ATOM 187 C CYS A 13 4.622 1.554 0.155 1.00 0.00 C ATOM 188 O CYS A 13 5.635 1.446 0.847 1.00 0.00 O ATOM 189 CB CYS A 13 2.328 0.534 0.485 1.00 0.00 C ATOM 190 SG CYS A 13 2.046 0.248 -1.295 1.00 0.00 S ATOM 0 H CYS A 13 1.722 2.883 -0.077 1.00 0.00 H new ATOM 0 HA CYS A 13 3.383 1.772 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.762 -0.366 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.365 0.690 0.971 1.00 0.00 H new ATOM 195 N ASN A 14 4.662 1.557 -1.169 1.00 0.00 N ATOM 196 CA ASN A 14 5.917 1.384 -1.894 1.00 0.00 C ATOM 197 C ASN A 14 6.765 2.654 -1.879 1.00 0.00 C ATOM 198 O ASN A 14 7.987 2.581 -1.974 1.00 0.00 O ATOM 199 CB ASN A 14 5.668 0.879 -3.329 1.00 0.00 C ATOM 200 CG ASN A 14 4.595 1.645 -4.100 1.00 0.00 C ATOM 201 OD1 ASN A 14 4.615 2.970 -4.050 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 3.769 1.037 -4.779 1.00 0.00 N flip ATOM 0 H ASN A 14 3.843 1.677 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 14 6.490 0.618 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.604 0.933 -3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.383 -0.172 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.777 0.017 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.076 1.553 -5.322 1.00 0.00 H new ATOM 209 N VAL A 15 6.125 3.815 -1.758 1.00 0.00 N ATOM 210 CA VAL A 15 6.861 5.075 -1.676 1.00 0.00 C ATOM 211 C VAL A 15 7.670 5.125 -0.384 1.00 0.00 C ATOM 212 O VAL A 15 8.815 5.582 -0.372 1.00 0.00 O ATOM 213 CB VAL A 15 5.932 6.313 -1.737 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.723 7.596 -1.512 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.203 6.389 -3.069 1.00 0.00 C ATOM 0 H VAL A 15 5.110 3.910 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 15 7.521 5.110 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 15 5.194 6.206 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.049 8.452 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.199 7.563 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.487 7.692 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.559 7.268 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.930 6.460 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.597 5.493 -3.204 1.00 0.00 H new ATOM 225 N ASN A 16 7.071 4.641 0.701 1.00 0.00 N ATOM 226 CA ASN A 16 7.748 4.629 1.996 1.00 0.00 C ATOM 227 C ASN A 16 8.851 3.580 1.978 1.00 0.00 C ATOM 228 O ASN A 16 10.031 3.926 1.902 1.00 0.00 O ATOM 229 CB ASN A 16 6.748 4.343 3.132 1.00 0.00 C ATOM 230 CG ASN A 16 7.342 4.560 4.519 1.00 0.00 C ATOM 231 OD1 ASN A 16 8.547 4.410 4.726 1.00 0.00 O ATOM 232 ND2 ASN A 16 6.504 4.910 5.492 1.00 0.00 N ATOM 0 H ASN A 16 6.127 4.255 0.711 1.00 0.00 H new ATOM 0 HA ASN A 16 8.187 5.610 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.876 4.986 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.398 3.314 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.855 5.061 6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.511 5.027 5.292 1.00 0.00 H new ATOM 239 N LYS A 17 8.455 2.305 2.031 1.00 0.00 N ATOM 240 CA LYS A 17 9.375 1.190 1.831 1.00 0.00 C ATOM 241 C LYS A 17 8.661 -0.142 2.061 1.00 0.00 C ATOM 242 O LYS A 17 8.694 -0.671 3.176 1.00 0.00 O ATOM 243 CB LYS A 17 10.579 1.282 2.774 1.00 0.00 C ATOM 244 CG LYS A 17 11.629 0.207 2.526 1.00 0.00 C ATOM 245 CD LYS A 17 12.849 0.423 3.415 1.00 0.00 C ATOM 246 CE LYS A 17 13.857 -0.707 3.269 1.00 0.00 C ATOM 247 NZ LYS A 17 14.387 -0.797 1.882 1.00 0.00 N ATOM 0 H LYS A 17 7.492 2.021 2.213 1.00 0.00 H new ATOM 0 HA LYS A 17 9.730 1.244 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.042 2.263 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.230 1.207 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.201 -0.777 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.930 0.222 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.324 1.370 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.533 0.497 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.682 -0.551 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.386 -1.652 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.166 -1.485 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.629 -1.104 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.737 0.136 1.583 1.00 0.00 H new ATOM 261 N VAL A 18 8.006 -0.687 1.037 1.00 0.00 N ATOM 262 CA VAL A 18 7.442 -2.034 1.130 1.00 0.00 C ATOM 263 C VAL A 18 7.445 -2.675 -0.257 1.00 0.00 C ATOM 264 O VAL A 18 7.287 -1.981 -1.266 1.00 0.00 O ATOM 265 CB VAL A 18 5.982 -2.076 1.704 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.745 -1.008 2.763 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.947 -1.986 0.594 1.00 0.00 C ATOM 0 H VAL A 18 7.853 -0.223 0.142 1.00 0.00 H new ATOM 0 HA VAL A 18 8.071 -2.583 1.831 1.00 0.00 H new ATOM 0 HB VAL A 18 5.867 -3.042 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.721 -1.079 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.437 -1.157 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.908 -0.022 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.947 -2.018 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.078 -1.051 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.074 -2.825 -0.090 1.00 0.00 H new ATOM 277 N PRO A 19 7.678 -3.990 -0.332 1.00 0.00 N ATOM 278 CA PRO A 19 7.509 -4.745 -1.573 1.00 0.00 C ATOM 279 C PRO A 19 6.046 -4.756 -2.018 1.00 0.00 C ATOM 280 O PRO A 19 5.147 -4.651 -1.177 1.00 0.00 O ATOM 281 CB PRO A 19 7.961 -6.168 -1.213 1.00 0.00 C ATOM 282 CG PRO A 19 8.714 -6.039 0.069 1.00 0.00 C ATOM 283 CD PRO A 19 8.150 -4.833 0.770 1.00 0.00 C ATOM 0 HA PRO A 19 8.077 -4.311 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.105 -6.834 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.591 -6.589 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.597 -6.934 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.781 -5.917 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.338 -5.104 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.907 -4.326 1.369 1.00 0.00 H new ATOM 291 N PHE A 20 5.797 -4.877 -3.318 1.00 0.00 N ATOM 292 CA PHE A 20 4.426 -4.867 -3.835 1.00 0.00 C ATOM 293 C PHE A 20 3.573 -5.929 -3.138 1.00 0.00 C ATOM 294 O PHE A 20 2.424 -5.669 -2.775 1.00 0.00 O ATOM 295 CB PHE A 20 4.408 -5.093 -5.353 1.00 0.00 C ATOM 296 CG PHE A 20 3.040 -4.950 -5.962 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.583 -3.711 -6.377 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.213 -6.053 -6.119 1.00 0.00 C ATOM 299 CE1 PHE A 20 1.329 -3.571 -6.939 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.956 -5.919 -6.679 1.00 0.00 C ATOM 301 CZ PHE A 20 0.514 -4.676 -7.090 1.00 0.00 C ATOM 0 H PHE A 20 6.518 -4.983 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 20 4.002 -3.885 -3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.085 -4.382 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.791 -6.090 -5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.215 -2.843 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.555 -7.027 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.986 -2.599 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.321 -6.785 -6.795 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.467 -4.569 -7.529 1.00 0.00 H new ATOM 311 N ASP A 21 4.149 -7.112 -2.930 1.00 0.00 N ATOM 312 CA ASP A 21 3.439 -8.209 -2.278 1.00 0.00 C ATOM 313 C ASP A 21 3.029 -7.822 -0.859 1.00 0.00 C ATOM 314 O ASP A 21 1.936 -8.163 -0.414 1.00 0.00 O ATOM 315 CB ASP A 21 4.282 -9.495 -2.259 1.00 0.00 C ATOM 316 CG ASP A 21 5.588 -9.356 -1.502 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.608 -8.995 -2.126 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.603 -9.617 -0.281 1.00 0.00 O ATOM 0 H ASP A 21 5.106 -7.334 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 21 2.539 -8.407 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.696 -10.297 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.497 -9.793 -3.285 1.00 0.00 H new ATOM 323 N GLN A 22 3.895 -7.096 -0.156 1.00 0.00 N ATOM 324 CA GLN A 22 3.569 -6.617 1.181 1.00 0.00 C ATOM 325 C GLN A 22 2.445 -5.590 1.113 1.00 0.00 C ATOM 326 O GLN A 22 1.547 -5.578 1.957 1.00 0.00 O ATOM 327 CB GLN A 22 4.784 -5.988 1.869 1.00 0.00 C ATOM 328 CG GLN A 22 4.508 -5.604 3.313 1.00 0.00 C ATOM 329 CD GLN A 22 5.574 -4.704 3.906 1.00 0.00 C ATOM 330 OE1 GLN A 22 6.737 -4.752 3.514 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.183 -3.883 4.869 1.00 0.00 N ATOM 0 H GLN A 22 4.821 -6.829 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 22 3.250 -7.479 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.618 -6.689 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.092 -5.102 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.543 -5.100 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.431 -6.510 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.207 -3.873 5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.858 -3.260 5.313 1.00 0.00 H new ATOM 340 N CYS A 23 2.499 -4.728 0.102 1.00 0.00 N ATOM 341 CA CYS A 23 1.454 -3.722 -0.093 1.00 0.00 C ATOM 342 C CYS A 23 0.121 -4.416 -0.340 1.00 0.00 C ATOM 343 O CYS A 23 -0.903 -4.044 0.231 1.00 0.00 O ATOM 344 CB CYS A 23 1.787 -2.777 -1.262 1.00 0.00 C ATOM 345 SG CYS A 23 0.729 -1.296 -1.341 1.00 0.00 S ATOM 0 H CYS A 23 3.247 -4.703 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 23 1.391 -3.115 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.828 -2.464 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.695 -3.327 -2.198 1.00 0.00 H new ATOM 350 N TYR A 24 0.152 -5.453 -1.166 1.00 0.00 N ATOM 351 CA TYR A 24 -1.034 -6.248 -1.446 1.00 0.00 C ATOM 352 C TYR A 24 -1.481 -7.003 -0.192 1.00 0.00 C ATOM 353 O TYR A 24 -2.659 -7.289 -0.013 1.00 0.00 O ATOM 354 CB TYR A 24 -0.751 -7.238 -2.581 1.00 0.00 C ATOM 355 CG TYR A 24 -1.992 -7.900 -3.126 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.443 -9.107 -2.609 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.711 -7.316 -4.157 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.579 -9.711 -3.106 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.847 -7.913 -4.658 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.277 -9.111 -4.132 1.00 0.00 C ATOM 361 OH TYR A 24 -5.411 -9.710 -4.634 1.00 0.00 O ATOM 0 H TYR A 24 0.991 -5.764 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.836 -5.576 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.243 -6.714 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.068 -8.007 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.897 -9.580 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.375 -6.378 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.920 -10.649 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.398 -7.444 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.783 -9.156 -5.352 1.00 0.00 H new ATOM 371 N GLN A 25 -0.536 -7.313 0.680 1.00 0.00 N ATOM 372 CA GLN A 25 -0.828 -8.084 1.874 1.00 0.00 C ATOM 373 C GLN A 25 -1.585 -7.236 2.894 1.00 0.00 C ATOM 374 O GLN A 25 -2.453 -7.735 3.604 1.00 0.00 O ATOM 375 CB GLN A 25 0.479 -8.610 2.484 1.00 0.00 C ATOM 376 CG GLN A 25 0.295 -9.511 3.707 1.00 0.00 C ATOM 377 CD GLN A 25 -0.044 -10.955 3.364 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.747 -11.182 2.264 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 0.326 -11.872 4.097 1.00 0.00 N flip ATOM 0 H GLN A 25 0.442 -7.041 0.582 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.460 -8.928 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.024 -9.164 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.101 -7.760 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.210 -9.494 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.498 -9.101 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.866 -11.667 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.093 -12.837 3.864 1.00 0.00 H new ATOM 388 N MET A 26 -1.241 -5.959 2.975 1.00 0.00 N ATOM 389 CA MET A 26 -1.901 -5.058 3.913 1.00 0.00 C ATOM 390 C MET A 26 -3.094 -4.339 3.276 1.00 0.00 C ATOM 391 O MET A 26 -4.189 -4.329 3.837 1.00 0.00 O ATOM 392 CB MET A 26 -0.907 -4.026 4.462 1.00 0.00 C ATOM 393 CG MET A 26 0.269 -4.624 5.239 1.00 0.00 C ATOM 394 SD MET A 26 1.383 -3.361 5.896 1.00 0.00 S ATOM 395 CE MET A 26 1.830 -2.465 4.410 1.00 0.00 C ATOM 0 H MET A 26 -0.514 -5.524 2.407 1.00 0.00 H new ATOM 0 HA MET A 26 -2.277 -5.671 4.733 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.516 -3.440 3.630 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.443 -3.336 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.114 -5.229 6.061 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.829 -5.293 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.742 -1.896 4.589 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.996 -3.170 3.596 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.024 -1.783 4.140 1.00 0.00 H new ATOM 405 N CYS A 27 -2.889 -3.738 2.110 1.00 0.00 N ATOM 406 CA CYS A 27 -3.905 -2.864 1.522 1.00 0.00 C ATOM 407 C CYS A 27 -5.051 -3.643 0.865 1.00 0.00 C ATOM 408 O CYS A 27 -6.167 -3.132 0.777 1.00 0.00 O ATOM 409 CB CYS A 27 -3.273 -1.909 0.502 1.00 0.00 C ATOM 410 SG CYS A 27 -1.856 -0.954 1.145 1.00 0.00 S ATOM 0 H CYS A 27 -2.039 -3.836 1.555 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.332 -2.290 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.945 -2.485 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.036 -1.214 0.152 1.00 0.00 H new ATOM 415 N SER A 28 -4.801 -4.866 0.409 1.00 0.00 N ATOM 416 CA SER A 28 -5.858 -5.631 -0.264 1.00 0.00 C ATOM 417 C SER A 28 -6.981 -6.036 0.712 1.00 0.00 C ATOM 418 O SER A 28 -8.150 -5.837 0.394 1.00 0.00 O ATOM 419 CB SER A 28 -5.313 -6.850 -1.025 1.00 0.00 C ATOM 420 OG SER A 28 -6.304 -7.398 -1.878 1.00 0.00 O ATOM 0 H SER A 28 -3.903 -5.343 0.487 1.00 0.00 H new ATOM 0 HA SER A 28 -6.291 -4.963 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.443 -6.558 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.979 -7.607 -0.316 1.00 0.00 H new ATOM 0 HG SER A 28 -5.873 -7.922 -2.585 1.00 0.00 H new ATOM 426 N PRO A 29 -6.671 -6.602 1.911 1.00 0.00 N ATOM 427 CA PRO A 29 -7.693 -6.871 2.949 1.00 0.00 C ATOM 428 C PRO A 29 -8.435 -5.608 3.403 1.00 0.00 C ATOM 429 O PRO A 29 -9.424 -5.677 4.132 1.00 0.00 O ATOM 430 CB PRO A 29 -6.881 -7.452 4.111 1.00 0.00 C ATOM 431 CG PRO A 29 -5.681 -8.041 3.455 1.00 0.00 C ATOM 432 CD PRO A 29 -5.345 -7.095 2.333 1.00 0.00 C ATOM 0 HA PRO A 29 -8.473 -7.534 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.604 -6.680 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.448 -8.206 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.852 -8.131 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.889 -9.042 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.700 -6.283 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.824 -7.601 1.520 1.00 0.00 H new ATOM 440 N LEU A 30 -7.923 -4.459 2.995 1.00 0.00 N ATOM 441 CA LEU A 30 -8.565 -3.177 3.251 1.00 0.00 C ATOM 442 C LEU A 30 -9.552 -2.888 2.120 1.00 0.00 C ATOM 443 O LEU A 30 -10.749 -2.686 2.345 1.00 0.00 O ATOM 444 CB LEU A 30 -7.484 -2.073 3.320 1.00 0.00 C ATOM 445 CG LEU A 30 -7.884 -0.716 3.937 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.709 0.250 3.855 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.094 -0.104 3.242 1.00 0.00 C ATOM 0 H LEU A 30 -7.048 -4.387 2.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.103 -3.202 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.640 -2.464 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.127 -1.889 2.307 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.154 -0.895 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.994 1.207 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.861 -0.161 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.430 0.396 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.339 0.850 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.866 0.057 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.945 -0.780 3.330 1.00 0.00 H new ATOM 459 N GLU A 31 -9.024 -2.891 0.907 1.00 0.00 N ATOM 460 CA GLU A 31 -9.775 -2.506 -0.286 1.00 0.00 C ATOM 461 C GLU A 31 -10.788 -3.568 -0.710 1.00 0.00 C ATOM 462 O GLU A 31 -11.931 -3.250 -1.042 1.00 0.00 O ATOM 463 CB GLU A 31 -8.800 -2.243 -1.440 1.00 0.00 C ATOM 464 CG GLU A 31 -9.477 -1.798 -2.730 1.00 0.00 C ATOM 465 CD GLU A 31 -8.506 -1.707 -3.885 1.00 0.00 C ATOM 466 OE1 GLU A 31 -8.046 -2.766 -4.364 1.00 0.00 O ATOM 467 OE2 GLU A 31 -8.206 -0.583 -4.330 1.00 0.00 O ATOM 0 H GLU A 31 -8.059 -3.161 0.717 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.333 -1.603 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.087 -1.478 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.230 -3.151 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.272 -2.500 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.946 -0.826 -2.575 1.00 0.00 H new ATOM 474 N ARG A 32 -10.373 -4.823 -0.704 1.00 0.00 N ATOM 475 CA ARG A 32 -11.200 -5.899 -1.241 1.00 0.00 C ATOM 476 C ARG A 32 -11.516 -6.933 -0.171 1.00 0.00 C ATOM 477 O ARG A 32 -10.803 -7.926 -0.015 1.00 0.00 O ATOM 478 CB ARG A 32 -10.504 -6.584 -2.436 1.00 0.00 C ATOM 479 CG ARG A 32 -10.237 -5.667 -3.646 1.00 0.00 C ATOM 480 CD ARG A 32 -11.503 -5.262 -4.405 1.00 0.00 C ATOM 481 NE ARG A 32 -12.423 -4.461 -3.598 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.648 -4.116 -3.994 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.105 -4.507 -5.176 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.415 -3.381 -3.203 1.00 0.00 N ATOM 0 H ARG A 32 -9.471 -5.125 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.134 -5.453 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.555 -6.998 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.118 -7.423 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.727 -4.767 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.560 -6.175 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.222 -4.697 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.017 -6.160 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.109 -4.148 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.518 -5.075 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.043 -4.240 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.068 -3.080 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.353 -3.116 -3.505 1.00 0.00 H new ATOM 498 N SER A 33 -12.574 -6.680 0.582 1.00 0.00 N ATOM 499 CA SER A 33 -13.076 -7.639 1.555 1.00 0.00 C ATOM 500 C SER A 33 -14.577 -7.448 1.743 1.00 0.00 C ATOM 501 CB SER A 33 -12.338 -7.499 2.893 1.00 0.00 C ATOM 502 OG SER A 33 -10.956 -7.779 2.734 1.00 0.00 O ATOM 0 H SER A 33 -13.106 -5.811 0.538 1.00 0.00 H new ATOM 0 HA SER A 33 -12.894 -8.646 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.467 -6.489 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.770 -8.180 3.626 1.00 0.00 H new ATOM 0 HG SER A 33 -10.434 -7.190 3.317 1.00 0.00 H new TER 508 SER A 33