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 22 GLN :FLIP amide:sc= -0.0361 F(o=-2.3!,f=-1.5) USER MOD Set 1.2: A 25 GLN :FLIP amide:sc= -1.45! F(o=-2.3,f=-1.5!) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= -0.0204 F(o=-2.5!,f=-0.02) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.194 F(o=-3!,f=-0.19) USER MOD Single : A 5 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 0.553 (180deg=-0.0879) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.111 F(o=-1,f=-0.11) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 146:sc= -0.549 (180deg=-1.41) USER MOD Single : A 28 SER OG : rot -75:sc= -2.13! USER MOD Single : A 33 SER OG : rot 180:sc= 0.0128 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.862 2.056 4.098 1.00 0.00 N ATOM 2 CA ALA A 1 -16.533 2.785 2.998 1.00 0.00 C ATOM 3 C ALA A 1 -15.698 3.982 2.556 1.00 0.00 C ATOM 4 O ALA A 1 -16.142 5.129 2.635 1.00 0.00 O ATOM 5 CB ALA A 1 -17.920 3.234 3.434 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.447 1.245 4.384 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.934 1.717 3.774 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.734 2.694 4.909 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.636 2.110 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.403 3.769 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.518 2.362 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.834 3.893 4.298 1.00 0.00 H new ATOM 10 N SER A 2 -14.494 3.711 2.077 1.00 0.00 N ATOM 11 CA SER A 2 -13.574 4.765 1.667 1.00 0.00 C ATOM 12 C SER A 2 -12.584 4.221 0.630 1.00 0.00 C ATOM 13 O SER A 2 -11.399 4.066 0.918 1.00 0.00 O ATOM 14 CB SER A 2 -12.817 5.314 2.896 1.00 0.00 C ATOM 15 OG SER A 2 -12.142 6.525 2.595 1.00 0.00 O ATOM 0 H SER A 2 -14.128 2.766 1.962 1.00 0.00 H new ATOM 0 HA SER A 2 -14.142 5.578 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.520 5.482 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.098 4.572 3.242 1.00 0.00 H new ATOM 0 HG SER A 2 -11.675 6.846 3.394 1.00 0.00 H new ATOM 21 N PRO A 3 -13.061 3.901 -0.594 1.00 0.00 N ATOM 22 CA PRO A 3 -12.204 3.353 -1.663 1.00 0.00 C ATOM 23 C PRO A 3 -11.018 4.258 -2.020 1.00 0.00 C ATOM 24 O PRO A 3 -10.029 3.800 -2.596 1.00 0.00 O ATOM 25 CB PRO A 3 -13.155 3.224 -2.856 1.00 0.00 C ATOM 26 CG PRO A 3 -14.507 3.115 -2.249 1.00 0.00 C ATOM 27 CD PRO A 3 -14.470 4.009 -1.029 1.00 0.00 C ATOM 0 HA PRO A 3 -11.745 2.414 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.085 4.090 -3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.919 2.346 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.279 3.436 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.733 2.085 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.742 5.036 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.160 3.670 -0.256 1.00 0.00 H new ATOM 35 N GLN A 4 -11.111 5.537 -1.676 1.00 0.00 N ATOM 36 CA GLN A 4 -10.027 6.477 -1.951 1.00 0.00 C ATOM 37 C GLN A 4 -8.846 6.247 -1.015 1.00 0.00 C ATOM 38 O GLN A 4 -7.694 6.358 -1.430 1.00 0.00 O ATOM 39 CB GLN A 4 -10.503 7.929 -1.843 1.00 0.00 C ATOM 40 CG GLN A 4 -11.386 8.385 -3.006 1.00 0.00 C ATOM 41 CD GLN A 4 -10.597 8.780 -4.249 1.00 0.00 C ATOM 42 OE1 GLN A 4 -9.410 8.213 -4.430 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -11.044 9.614 -5.036 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.920 5.947 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.701 6.297 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.056 8.050 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.632 8.582 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.077 7.582 -3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.989 9.234 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.959 10.032 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.499 9.887 -5.854 1.00 0.00 H new ATOM 52 N GLN A 5 -9.130 5.908 0.238 1.00 0.00 N ATOM 53 CA GLN A 5 -8.065 5.672 1.216 1.00 0.00 C ATOM 54 C GLN A 5 -7.217 4.477 0.792 1.00 0.00 C ATOM 55 O GLN A 5 -6.038 4.378 1.136 1.00 0.00 O ATOM 56 CB GLN A 5 -8.623 5.447 2.629 1.00 0.00 C ATOM 57 CG GLN A 5 -9.093 4.021 2.893 1.00 0.00 C ATOM 58 CD GLN A 5 -9.564 3.801 4.320 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.427 2.960 4.574 1.00 0.00 O ATOM 60 NE2 GLN A 5 -9.007 4.554 5.259 1.00 0.00 N ATOM 0 H GLN A 5 -10.076 5.791 0.601 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.443 6.567 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.854 5.705 3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.458 6.129 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.906 3.780 2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.278 3.331 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.295 5.240 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.291 4.447 6.233 1.00 0.00 H new ATOM 69 N ALA A 6 -7.832 3.574 0.041 1.00 0.00 N ATOM 70 CA ALA A 6 -7.129 2.421 -0.504 1.00 0.00 C ATOM 71 C ALA A 6 -6.020 2.871 -1.443 1.00 0.00 C ATOM 72 O ALA A 6 -4.923 2.317 -1.434 1.00 0.00 O ATOM 73 CB ALA A 6 -8.094 1.495 -1.227 1.00 0.00 C ATOM 0 H ALA A 6 -8.821 3.618 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.682 1.870 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.548 0.640 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.855 1.146 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.572 2.034 -2.045 1.00 0.00 H new ATOM 79 N LYS A 7 -6.305 3.905 -2.228 1.00 0.00 N ATOM 80 CA LYS A 7 -5.325 4.458 -3.157 1.00 0.00 C ATOM 81 C LYS A 7 -4.151 5.060 -2.384 1.00 0.00 C ATOM 82 O LYS A 7 -3.009 5.033 -2.843 1.00 0.00 O ATOM 83 CB LYS A 7 -5.975 5.521 -4.058 1.00 0.00 C ATOM 84 CG LYS A 7 -5.006 6.168 -5.037 1.00 0.00 C ATOM 85 CD LYS A 7 -4.397 5.139 -5.994 1.00 0.00 C ATOM 86 CE LYS A 7 -3.235 5.734 -6.785 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.152 6.209 -5.882 1.00 0.00 N ATOM 0 H LYS A 7 -7.209 4.378 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.953 3.653 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.790 5.062 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.416 6.296 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.526 6.935 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.210 6.667 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.049 4.275 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.163 4.782 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.838 4.985 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.594 6.564 -7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.285 6.369 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.443 7.098 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.969 5.492 -5.152 1.00 0.00 H new ATOM 101 N TYR A 8 -4.447 5.586 -1.203 1.00 0.00 N ATOM 102 CA TYR A 8 -3.427 6.147 -0.329 1.00 0.00 C ATOM 103 C TYR A 8 -2.535 5.034 0.220 1.00 0.00 C ATOM 104 O TYR A 8 -1.314 5.181 0.282 1.00 0.00 O ATOM 105 CB TYR A 8 -4.088 6.924 0.818 1.00 0.00 C ATOM 106 CG TYR A 8 -3.122 7.692 1.691 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.683 7.172 2.902 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.664 8.945 1.308 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.812 7.880 3.708 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.792 9.659 2.106 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.369 9.123 3.305 1.00 0.00 C ATOM 112 OH TYR A 8 -0.503 9.834 4.105 1.00 0.00 O ATOM 0 H TYR A 8 -5.394 5.636 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.806 6.835 -0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.812 7.622 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.644 6.224 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.028 6.199 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.995 9.368 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.480 7.463 4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.443 10.632 1.793 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.288 10.688 3.676 1.00 0.00 H new ATOM 122 N CYS A 9 -3.155 3.919 0.597 1.00 0.00 N ATOM 123 CA CYS A 9 -2.419 2.762 1.108 1.00 0.00 C ATOM 124 C CYS A 9 -1.480 2.218 0.036 1.00 0.00 C ATOM 125 O CYS A 9 -0.288 2.028 0.281 1.00 0.00 O ATOM 126 CB CYS A 9 -3.390 1.662 1.573 1.00 0.00 C ATOM 127 SG CYS A 9 -2.592 0.262 2.434 1.00 0.00 S ATOM 0 H CYS A 9 -4.166 3.790 0.559 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.827 3.083 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.131 2.106 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.928 1.280 0.706 1.00 0.00 H new ATOM 132 N TYR A 10 -2.017 2.005 -1.163 1.00 0.00 N ATOM 133 CA TYR A 10 -1.237 1.462 -2.273 1.00 0.00 C ATOM 134 C TYR A 10 -0.186 2.452 -2.762 1.00 0.00 C ATOM 135 O TYR A 10 0.763 2.075 -3.450 1.00 0.00 O ATOM 136 CB TYR A 10 -2.149 1.065 -3.439 1.00 0.00 C ATOM 137 CG TYR A 10 -2.883 -0.237 -3.227 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.213 -0.261 -2.829 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.240 -1.446 -3.439 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.880 -1.456 -2.650 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.896 -2.643 -3.261 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.218 -2.646 -2.866 1.00 0.00 C ATOM 143 OH TYR A 10 -4.878 -3.842 -2.690 1.00 0.00 O ATOM 0 H TYR A 10 -2.992 2.201 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.726 0.575 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.878 1.859 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.550 0.989 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.733 0.670 -2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.206 -1.449 -3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.915 -1.459 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.378 -3.576 -3.430 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.268 -4.584 -2.884 1.00 0.00 H new ATOM 153 N GLU A 11 -0.360 3.720 -2.433 1.00 0.00 N ATOM 154 CA GLU A 11 0.627 4.718 -2.788 1.00 0.00 C ATOM 155 C GLU A 11 1.752 4.738 -1.760 1.00 0.00 C ATOM 156 O GLU A 11 2.901 4.424 -2.074 1.00 0.00 O ATOM 157 CB GLU A 11 -0.004 6.106 -2.890 1.00 0.00 C ATOM 158 CG GLU A 11 0.870 7.099 -3.636 1.00 0.00 C ATOM 159 CD GLU A 11 1.213 6.623 -5.033 1.00 0.00 C ATOM 160 OE1 GLU A 11 0.460 6.944 -5.975 1.00 0.00 O ATOM 161 OE2 GLU A 11 2.231 5.919 -5.196 1.00 0.00 O ATOM 0 H GLU A 11 -1.169 4.078 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 11 1.035 4.453 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.967 6.026 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.201 6.485 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.356 8.058 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.789 7.265 -3.074 1.00 0.00 H new ATOM 168 N GLN A 12 1.401 5.061 -0.521 1.00 0.00 N ATOM 169 CA GLN A 12 2.385 5.273 0.529 1.00 0.00 C ATOM 170 C GLN A 12 3.136 3.998 0.884 1.00 0.00 C ATOM 171 O GLN A 12 4.230 4.067 1.434 1.00 0.00 O ATOM 172 CB GLN A 12 1.714 5.869 1.769 1.00 0.00 C ATOM 173 CG GLN A 12 1.229 7.287 1.544 1.00 0.00 C ATOM 174 CD GLN A 12 2.304 8.330 1.789 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.563 7.944 1.652 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 2.006 9.475 2.126 1.00 0.00 N flip ATOM 0 H GLN A 12 0.434 5.182 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 12 3.123 5.979 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.871 5.242 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.419 5.858 2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.865 7.382 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.383 7.484 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.026 9.739 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.739 10.160 2.309 1.00 0.00 H new ATOM 185 N CYS A 13 2.570 2.846 0.550 1.00 0.00 N ATOM 186 CA CYS A 13 3.229 1.574 0.827 1.00 0.00 C ATOM 187 C CYS A 13 4.610 1.536 0.161 1.00 0.00 C ATOM 188 O CYS A 13 5.623 1.302 0.821 1.00 0.00 O ATOM 189 CB CYS A 13 2.355 0.397 0.347 1.00 0.00 C ATOM 190 SG CYS A 13 2.156 0.287 -1.462 1.00 0.00 S ATOM 0 H CYS A 13 1.663 2.764 0.090 1.00 0.00 H new ATOM 0 HA CYS A 13 3.365 1.477 1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.792 -0.534 0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.369 0.484 0.803 1.00 0.00 H new ATOM 195 N ASN A 14 4.648 1.800 -1.139 1.00 0.00 N ATOM 196 CA ASN A 14 5.910 1.820 -1.883 1.00 0.00 C ATOM 197 C ASN A 14 6.713 3.071 -1.557 1.00 0.00 C ATOM 198 O ASN A 14 7.945 3.043 -1.564 1.00 0.00 O ATOM 199 CB ASN A 14 5.663 1.755 -3.396 1.00 0.00 C ATOM 200 CG ASN A 14 4.975 0.478 -3.848 1.00 0.00 C ATOM 201 OD1 ASN A 14 4.206 0.490 -4.807 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.243 -0.636 -3.176 1.00 0.00 N ATOM 0 H ASN A 14 3.823 2.004 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 14 6.478 0.940 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.055 2.610 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.617 1.847 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.806 -1.515 -3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.886 -0.612 -2.385 1.00 0.00 H new ATOM 209 N VAL A 15 6.015 4.165 -1.264 1.00 0.00 N ATOM 210 CA VAL A 15 6.672 5.427 -0.953 1.00 0.00 C ATOM 211 C VAL A 15 7.497 5.289 0.320 1.00 0.00 C ATOM 212 O VAL A 15 8.595 5.839 0.419 1.00 0.00 O ATOM 213 CB VAL A 15 5.662 6.590 -0.792 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.373 7.881 -0.402 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.864 6.801 -2.074 1.00 0.00 C ATOM 0 H VAL A 15 4.996 4.201 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 15 7.323 5.666 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 15 4.972 6.318 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.641 8.682 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.894 7.738 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.093 8.148 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.162 7.623 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.545 7.040 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.314 5.891 -2.314 1.00 0.00 H new ATOM 225 N ASN A 16 6.976 4.546 1.292 1.00 0.00 N ATOM 226 CA ASN A 16 7.725 4.305 2.515 1.00 0.00 C ATOM 227 C ASN A 16 8.860 3.331 2.230 1.00 0.00 C ATOM 228 O ASN A 16 10.009 3.746 2.079 1.00 0.00 O ATOM 229 CB ASN A 16 6.820 3.738 3.620 1.00 0.00 C ATOM 230 CG ASN A 16 5.671 4.656 3.999 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.874 5.957 3.881 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.603 4.193 4.398 1.00 0.00 N flip ATOM 0 H ASN A 16 6.055 4.109 1.257 1.00 0.00 H new ATOM 0 HA ASN A 16 8.129 5.255 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.415 2.781 3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.423 3.541 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.482 3.183 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.838 4.819 4.650 1.00 0.00 H new ATOM 239 N LYS A 17 8.520 2.046 2.103 1.00 0.00 N ATOM 240 CA LYS A 17 9.460 1.023 1.652 1.00 0.00 C ATOM 241 C LYS A 17 8.818 -0.360 1.751 1.00 0.00 C ATOM 242 O LYS A 17 8.992 -1.044 2.759 1.00 0.00 O ATOM 243 CB LYS A 17 10.750 1.044 2.485 1.00 0.00 C ATOM 244 CG LYS A 17 11.817 0.075 1.987 1.00 0.00 C ATOM 245 CD LYS A 17 13.122 0.253 2.762 1.00 0.00 C ATOM 246 CE LYS A 17 14.149 -0.801 2.375 1.00 0.00 C ATOM 247 NZ LYS A 17 15.432 -0.621 3.105 1.00 0.00 N ATOM 0 H LYS A 17 7.587 1.688 2.310 1.00 0.00 H new ATOM 0 HA LYS A 17 9.713 1.239 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.159 2.054 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.508 0.803 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.462 -0.950 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.995 0.239 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.528 1.246 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.922 0.192 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.748 -1.793 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.332 -0.752 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.104 -1.359 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.828 0.315 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.262 -0.693 4.128 1.00 0.00 H new ATOM 261 N VAL A 18 8.078 -0.791 0.732 1.00 0.00 N ATOM 262 CA VAL A 18 7.524 -2.144 0.746 1.00 0.00 C ATOM 263 C VAL A 18 7.483 -2.713 -0.673 1.00 0.00 C ATOM 264 O VAL A 18 7.243 -1.984 -1.640 1.00 0.00 O ATOM 265 CB VAL A 18 6.088 -2.228 1.356 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.923 -1.330 2.579 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.030 -1.936 0.307 1.00 0.00 C ATOM 0 H VAL A 18 7.852 -0.239 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 18 8.186 -2.728 1.385 1.00 0.00 H new ATOM 0 HB VAL A 18 5.948 -3.253 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.908 -1.424 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.634 -1.630 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.109 -0.294 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.041 -2.002 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.181 -0.933 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.108 -2.664 -0.501 1.00 0.00 H new ATOM 277 N PRO A 19 7.765 -4.013 -0.815 1.00 0.00 N ATOM 278 CA PRO A 19 7.546 -4.746 -2.065 1.00 0.00 C ATOM 279 C PRO A 19 6.056 -4.873 -2.391 1.00 0.00 C ATOM 280 O PRO A 19 5.227 -4.780 -1.482 1.00 0.00 O ATOM 281 CB PRO A 19 8.142 -6.134 -1.792 1.00 0.00 C ATOM 282 CG PRO A 19 8.984 -5.976 -0.572 1.00 0.00 C ATOM 283 CD PRO A 19 8.357 -4.865 0.221 1.00 0.00 C ATOM 0 HA PRO A 19 8.000 -4.239 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.357 -6.873 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.738 -6.478 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.012 -6.900 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.013 -5.734 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.604 -5.239 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.096 -4.325 0.814 1.00 0.00 H new ATOM 291 N PHE A 20 5.708 -5.054 -3.665 1.00 0.00 N ATOM 292 CA PHE A 20 4.300 -5.158 -4.069 1.00 0.00 C ATOM 293 C PHE A 20 3.537 -6.161 -3.203 1.00 0.00 C ATOM 294 O PHE A 20 2.438 -5.865 -2.730 1.00 0.00 O ATOM 295 CB PHE A 20 4.165 -5.556 -5.546 1.00 0.00 C ATOM 296 CG PHE A 20 2.731 -5.668 -5.995 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.104 -6.904 -6.074 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.008 -4.535 -6.328 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.785 -7.004 -6.476 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.690 -4.629 -6.731 1.00 0.00 C ATOM 301 CZ PHE A 20 0.078 -5.865 -6.805 1.00 0.00 C ATOM 0 H PHE A 20 6.375 -5.132 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 20 3.864 -4.169 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.677 -4.819 -6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.666 -6.510 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.653 -7.798 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.481 -3.565 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.309 -7.972 -6.533 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.139 -3.737 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.952 -5.940 -7.120 1.00 0.00 H new ATOM 311 N ASP A 21 4.131 -7.333 -2.980 1.00 0.00 N ATOM 312 CA ASP A 21 3.479 -8.387 -2.196 1.00 0.00 C ATOM 313 C ASP A 21 3.137 -7.885 -0.796 1.00 0.00 C ATOM 314 O ASP A 21 2.106 -8.246 -0.230 1.00 0.00 O ATOM 315 CB ASP A 21 4.361 -9.639 -2.099 1.00 0.00 C ATOM 316 CG ASP A 21 5.597 -9.430 -1.245 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.540 -9.716 -0.030 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.623 -8.970 -1.779 1.00 0.00 O ATOM 0 H ASP A 21 5.058 -7.578 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 21 2.558 -8.656 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.774 -10.459 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.666 -9.940 -3.101 1.00 0.00 H new ATOM 323 N GLN A 22 4.007 -7.050 -0.240 1.00 0.00 N ATOM 324 CA GLN A 22 3.763 -6.447 1.059 1.00 0.00 C ATOM 325 C GLN A 22 2.655 -5.407 0.958 1.00 0.00 C ATOM 326 O GLN A 22 1.783 -5.331 1.823 1.00 0.00 O ATOM 327 CB GLN A 22 5.036 -5.794 1.592 1.00 0.00 C ATOM 328 CG GLN A 22 4.861 -5.194 2.974 1.00 0.00 C ATOM 329 CD GLN A 22 4.751 -6.243 4.061 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.441 -7.362 3.885 1.00 0.00 O flip ATOM 331 NE2 GLN A 22 4.056 -6.049 5.058 1.00 0.00 N flip ATOM 0 H GLN A 22 4.889 -6.776 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 22 3.454 -7.232 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.833 -6.537 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.354 -5.014 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.706 -4.540 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.966 -4.572 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.540 -5.175 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.996 -6.762 5.785 1.00 0.00 H new ATOM 340 N CYS A 23 2.686 -4.616 -0.112 1.00 0.00 N ATOM 341 CA CYS A 23 1.668 -3.587 -0.320 1.00 0.00 C ATOM 342 C CYS A 23 0.302 -4.239 -0.429 1.00 0.00 C ATOM 343 O CYS A 23 -0.658 -3.806 0.210 1.00 0.00 O ATOM 344 CB CYS A 23 1.950 -2.743 -1.578 1.00 0.00 C ATOM 345 SG CYS A 23 0.884 -1.273 -1.729 1.00 0.00 S ATOM 0 H CYS A 23 3.397 -4.666 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 23 1.692 -2.914 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.992 -2.425 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.819 -3.368 -2.461 1.00 0.00 H new ATOM 350 N TYR A 24 0.227 -5.308 -1.210 1.00 0.00 N ATOM 351 CA TYR A 24 -1.008 -6.047 -1.349 1.00 0.00 C ATOM 352 C TYR A 24 -1.430 -6.633 -0.011 1.00 0.00 C ATOM 353 O TYR A 24 -2.584 -6.522 0.373 1.00 0.00 O ATOM 354 CB TYR A 24 -0.872 -7.165 -2.394 1.00 0.00 C ATOM 355 CG TYR A 24 -2.149 -7.949 -2.592 1.00 0.00 C ATOM 356 CD1 TYR A 24 -3.186 -7.437 -3.357 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.320 -9.197 -2.006 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.356 -8.144 -3.534 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.486 -9.912 -2.181 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.503 -9.381 -2.945 1.00 0.00 C ATOM 361 OH TYR A 24 -5.671 -10.087 -3.119 1.00 0.00 O ATOM 0 H TYR A 24 1.007 -5.677 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.775 -5.352 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.569 -6.730 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.078 -7.846 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.075 -6.468 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.527 -9.614 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.154 -7.730 -4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.602 -10.883 -1.722 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.613 -10.940 -2.639 1.00 0.00 H new ATOM 371 N GLN A 25 -0.488 -7.207 0.727 1.00 0.00 N ATOM 372 CA GLN A 25 -0.842 -7.970 1.922 1.00 0.00 C ATOM 373 C GLN A 25 -1.355 -7.047 3.028 1.00 0.00 C ATOM 374 O GLN A 25 -2.089 -7.478 3.917 1.00 0.00 O ATOM 375 CB GLN A 25 0.344 -8.827 2.419 1.00 0.00 C ATOM 376 CG GLN A 25 1.085 -8.258 3.623 1.00 0.00 C ATOM 377 CD GLN A 25 2.017 -9.278 4.250 1.00 0.00 C ATOM 378 OE1 GLN A 25 3.072 -8.810 4.893 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 1.779 -10.485 4.165 1.00 0.00 N flip ATOM 0 H GLN A 25 0.511 -7.162 0.526 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.648 -8.652 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.026 -9.820 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.052 -8.951 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.658 -7.383 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.363 -7.921 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.954 -10.808 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.407 -11.161 4.600 1.00 0.00 H new ATOM 388 N MET A 26 -0.975 -5.778 2.967 1.00 0.00 N ATOM 389 CA MET A 26 -1.455 -4.800 3.931 1.00 0.00 C ATOM 390 C MET A 26 -2.743 -4.126 3.453 1.00 0.00 C ATOM 391 O MET A 26 -3.706 -4.010 4.208 1.00 0.00 O ATOM 392 CB MET A 26 -0.374 -3.744 4.198 1.00 0.00 C ATOM 393 CG MET A 26 -0.873 -2.521 4.962 1.00 0.00 C ATOM 394 SD MET A 26 0.401 -1.256 5.169 1.00 0.00 S ATOM 395 CE MET A 26 0.950 -1.019 3.479 1.00 0.00 C ATOM 0 H MET A 26 -0.339 -5.404 2.263 1.00 0.00 H new ATOM 0 HA MET A 26 -1.678 -5.328 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.438 -4.205 4.761 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.044 -3.418 3.245 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.724 -2.090 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.232 -2.833 5.943 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.225 0.025 3.329 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.815 -1.654 3.285 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.144 -1.284 2.794 1.00 0.00 H new ATOM 405 N CYS A 27 -2.765 -3.691 2.200 1.00 0.00 N ATOM 406 CA CYS A 27 -3.885 -2.896 1.697 1.00 0.00 C ATOM 407 C CYS A 27 -5.070 -3.754 1.236 1.00 0.00 C ATOM 408 O CYS A 27 -6.196 -3.261 1.175 1.00 0.00 O ATOM 409 CB CYS A 27 -3.425 -1.989 0.550 1.00 0.00 C ATOM 410 SG CYS A 27 -1.964 -0.969 0.945 1.00 0.00 S ATOM 0 H CYS A 27 -2.029 -3.871 1.517 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.233 -2.290 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.199 -2.607 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.248 -1.332 0.268 1.00 0.00 H new ATOM 415 N SER A 28 -4.840 -5.026 0.913 1.00 0.00 N ATOM 416 CA SER A 28 -5.928 -5.883 0.436 1.00 0.00 C ATOM 417 C SER A 28 -7.041 -6.083 1.487 1.00 0.00 C ATOM 418 O SER A 28 -8.218 -6.013 1.132 1.00 0.00 O ATOM 419 CB SER A 28 -5.410 -7.231 -0.094 1.00 0.00 C ATOM 420 OG SER A 28 -4.652 -7.936 0.873 1.00 0.00 O ATOM 0 H SER A 28 -3.929 -5.481 0.971 1.00 0.00 H new ATOM 0 HA SER A 28 -6.381 -5.351 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.255 -7.844 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.796 -7.059 -0.978 1.00 0.00 H new ATOM 0 HG SER A 28 -3.766 -7.526 0.956 1.00 0.00 H new ATOM 426 N PRO A 29 -6.721 -6.335 2.788 1.00 0.00 N ATOM 427 CA PRO A 29 -7.749 -6.406 3.843 1.00 0.00 C ATOM 428 C PRO A 29 -8.570 -5.120 3.954 1.00 0.00 C ATOM 429 O PRO A 29 -9.702 -5.130 4.437 1.00 0.00 O ATOM 430 CB PRO A 29 -6.938 -6.626 5.123 1.00 0.00 C ATOM 431 CG PRO A 29 -5.684 -7.282 4.656 1.00 0.00 C ATOM 432 CD PRO A 29 -5.378 -6.640 3.330 1.00 0.00 C ATOM 0 HA PRO A 29 -8.477 -7.192 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.729 -5.683 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.476 -7.255 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.871 -7.129 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.817 -8.359 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.776 -5.739 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.822 -7.311 2.676 1.00 0.00 H new ATOM 440 N LEU A 30 -7.984 -4.020 3.505 1.00 0.00 N ATOM 441 CA LEU A 30 -8.643 -2.720 3.516 1.00 0.00 C ATOM 442 C LEU A 30 -9.568 -2.616 2.308 1.00 0.00 C ATOM 443 O LEU A 30 -10.779 -2.445 2.446 1.00 0.00 O ATOM 444 CB LEU A 30 -7.574 -1.606 3.477 1.00 0.00 C ATOM 445 CG LEU A 30 -8.033 -0.172 3.814 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.846 0.778 3.730 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.137 0.312 2.880 1.00 0.00 C ATOM 0 H LEU A 30 -7.039 -4.002 3.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.235 -2.607 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.779 -1.877 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.136 -1.594 2.479 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.436 -0.186 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.173 1.790 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.080 0.467 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.434 0.758 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.428 1.326 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.773 0.305 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.000 -0.349 2.964 1.00 0.00 H new ATOM 459 N GLU A 31 -8.973 -2.731 1.132 1.00 0.00 N ATOM 460 CA GLU A 31 -9.688 -2.539 -0.128 1.00 0.00 C ATOM 461 C GLU A 31 -10.779 -3.591 -0.299 1.00 0.00 C ATOM 462 O GLU A 31 -11.915 -3.272 -0.651 1.00 0.00 O ATOM 463 CB GLU A 31 -8.691 -2.574 -1.300 1.00 0.00 C ATOM 464 CG GLU A 31 -9.270 -2.157 -2.656 1.00 0.00 C ATOM 465 CD GLU A 31 -10.051 -3.261 -3.343 1.00 0.00 C ATOM 466 OE1 GLU A 31 -11.231 -3.037 -3.681 1.00 0.00 O ATOM 467 OE2 GLU A 31 -9.487 -4.356 -3.555 1.00 0.00 O ATOM 0 H GLU A 31 -7.985 -2.959 1.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.175 -1.564 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.852 -1.919 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.292 -3.585 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.922 -1.295 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.456 -1.838 -3.308 1.00 0.00 H new ATOM 474 N ARG A 32 -10.447 -4.837 -0.017 1.00 0.00 N ATOM 475 CA ARG A 32 -11.395 -5.924 -0.190 1.00 0.00 C ATOM 476 C ARG A 32 -11.662 -6.594 1.154 1.00 0.00 C ATOM 477 O ARG A 32 -11.086 -7.638 1.475 1.00 0.00 O ATOM 478 CB ARG A 32 -10.869 -6.942 -1.221 1.00 0.00 C ATOM 479 CG ARG A 32 -11.886 -8.015 -1.641 1.00 0.00 C ATOM 480 CD ARG A 32 -13.098 -7.434 -2.372 1.00 0.00 C ATOM 481 NE ARG A 32 -12.782 -6.206 -3.107 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.579 -5.657 -4.023 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.719 -6.249 -4.365 1.00 0.00 N ATOM 484 NH2 ARG A 32 -13.237 -4.514 -4.598 1.00 0.00 N ATOM 0 H ARG A 32 -9.532 -5.122 0.332 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.334 -5.521 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.543 -6.402 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.990 -7.436 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.393 -8.742 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.226 -8.553 -0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.489 -8.178 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.888 -7.227 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.896 -5.742 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.988 -7.129 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.324 -5.823 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.364 -4.054 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.847 -4.093 -5.299 1.00 0.00 H new ATOM 498 N SER A 33 -12.525 -5.973 1.941 1.00 0.00 N ATOM 499 CA SER A 33 -12.861 -6.474 3.264 1.00 0.00 C ATOM 500 C SER A 33 -14.182 -7.241 3.231 1.00 0.00 C ATOM 501 CB SER A 33 -12.927 -5.308 4.260 1.00 0.00 C ATOM 502 OG SER A 33 -13.544 -4.172 3.672 1.00 0.00 O ATOM 0 H SER A 33 -13.010 -5.113 1.684 1.00 0.00 H new ATOM 0 HA SER A 33 -12.084 -7.166 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.485 -5.612 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.921 -5.050 4.591 1.00 0.00 H new ATOM 0 HG SER A 33 -13.577 -3.442 4.326 1.00 0.00 H new TER 508 SER A 33