USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 246 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -64:sc= 0.967 USER MOD Single : A 9 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.069) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.04! C(o=-4!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Single : A 19 SER OG : rot -170:sc= -0.537 USER MOD Single : A 20 GLN : amide:sc= -2.02! C(o=-2!,f=-5.2!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.793! USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 0.0836 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.8! C(o=-4.8!,f=-7.5!) USER MOD Single : A 29 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.3!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 3:sc= 0.639 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.806 3.355 -8.474 1.00 1.00 N ATOM 2 CA SER A 1 5.888 2.441 -7.299 1.00 1.00 C ATOM 3 C SER A 1 5.493 1.028 -7.704 1.00 1.00 C ATOM 4 O SER A 1 4.312 0.684 -7.724 1.00 1.00 O ATOM 5 CB SER A 1 4.978 2.922 -6.172 1.00 1.00 C ATOM 6 OG SER A 1 4.717 1.861 -5.262 1.00 1.00 O ATOM 0 H1 SER A 1 6.078 4.317 -8.186 1.00 1.00 H new ATOM 0 H2 SER A 1 6.451 3.022 -9.219 1.00 1.00 H new ATOM 0 H3 SER A 1 4.832 3.365 -8.839 1.00 1.00 H new ATOM 0 HA SER A 1 6.918 2.441 -6.942 1.00 1.00 H new ATOM 0 HB2 SER A 1 5.447 3.754 -5.647 1.00 1.00 H new ATOM 0 HB3 SER A 1 4.041 3.294 -6.586 1.00 1.00 H new ATOM 0 HG SER A 1 4.134 2.183 -4.543 1.00 1.00 H new ATOM 14 N PRO A 2 6.487 0.190 -8.033 1.00 1.00 N ATOM 15 CA PRO A 2 6.250 -1.201 -8.443 1.00 1.00 C ATOM 16 C PRO A 2 5.935 -2.101 -7.255 1.00 1.00 C ATOM 17 O PRO A 2 4.982 -2.879 -7.286 1.00 1.00 O ATOM 18 CB PRO A 2 7.557 -1.614 -9.106 1.00 1.00 C ATOM 19 CG PRO A 2 8.606 -0.729 -8.514 1.00 1.00 C ATOM 20 CD PRO A 2 7.917 0.528 -8.032 1.00 1.00 C ATOM 0 HA PRO A 2 5.388 -1.291 -9.104 1.00 1.00 H new ATOM 0 HB2 PRO A 2 7.778 -2.664 -8.916 1.00 1.00 H new ATOM 0 HB3 PRO A 2 7.504 -1.490 -10.188 1.00 1.00 H new ATOM 0 HG2 PRO A 2 9.111 -1.231 -7.688 1.00 1.00 H new ATOM 0 HG3 PRO A 2 9.369 -0.489 -9.255 1.00 1.00 H new ATOM 0 HD2 PRO A 2 8.257 0.809 -7.035 1.00 1.00 H new ATOM 0 HD3 PRO A 2 8.125 1.372 -8.690 1.00 1.00 H new ATOM 28 N THR A 3 6.743 -1.987 -6.209 1.00 1.00 N ATOM 29 CA THR A 3 6.556 -2.786 -5.003 1.00 1.00 C ATOM 30 C THR A 3 7.214 -2.105 -3.810 1.00 1.00 C ATOM 31 O THR A 3 6.597 -1.936 -2.758 1.00 1.00 O ATOM 32 CB THR A 3 7.135 -4.188 -5.209 1.00 1.00 C ATOM 33 OG1 THR A 3 6.469 -5.116 -4.368 1.00 1.00 O ATOM 34 CG2 THR A 3 8.637 -4.217 -4.929 1.00 1.00 C ATOM 0 H THR A 3 7.537 -1.347 -6.171 1.00 1.00 H new ATOM 0 HA THR A 3 5.489 -2.876 -4.800 1.00 1.00 H new ATOM 0 HB THR A 3 6.980 -4.466 -6.252 1.00 1.00 H new ATOM 0 HG1 THR A 3 6.844 -6.011 -4.507 1.00 1.00 H new ATOM 0 HG21 THR A 3 9.017 -5.227 -5.084 1.00 1.00 H new ATOM 0 HG22 THR A 3 9.146 -3.530 -5.605 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.821 -3.915 -3.898 1.00 1.00 H new ATOM 42 N CYS A 4 8.470 -1.715 -3.983 1.00 1.00 N ATOM 43 CA CYS A 4 9.221 -1.048 -2.929 1.00 1.00 C ATOM 44 C CYS A 4 8.746 0.390 -2.772 1.00 1.00 C ATOM 45 O CYS A 4 8.186 0.973 -3.701 1.00 1.00 O ATOM 46 CB CYS A 4 10.708 -1.073 -3.263 1.00 1.00 C ATOM 47 SG CYS A 4 11.078 -0.248 -4.820 1.00 1.00 S ATOM 0 H CYS A 4 8.992 -1.850 -4.849 1.00 1.00 H new ATOM 0 HA CYS A 4 9.056 -1.574 -1.989 1.00 1.00 H new ATOM 0 HB2 CYS A 4 11.266 -0.593 -2.459 1.00 1.00 H new ATOM 0 HB3 CYS A 4 11.049 -2.107 -3.313 1.00 1.00 H new ATOM 52 N ILE A 5 8.973 0.961 -1.593 1.00 1.00 N ATOM 53 CA ILE A 5 8.566 2.336 -1.320 1.00 1.00 C ATOM 54 C ILE A 5 9.568 3.307 -1.920 1.00 1.00 C ATOM 55 O ILE A 5 10.701 3.405 -1.461 1.00 1.00 O ATOM 56 CB ILE A 5 8.473 2.560 0.180 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.494 1.569 0.799 1.00 1.00 C ATOM 58 CG2 ILE A 5 8.049 3.994 0.485 1.00 1.00 C ATOM 59 CD1 ILE A 5 8.185 0.699 1.839 1.00 1.00 C ATOM 0 H ILE A 5 9.435 0.494 -0.813 1.00 1.00 H new ATOM 0 HA ILE A 5 7.589 2.509 -1.771 1.00 1.00 H new ATOM 0 HB ILE A 5 9.458 2.397 0.617 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.668 2.109 1.262 1.00 1.00 H new ATOM 0 HG13 ILE A 5 7.066 0.939 0.019 1.00 1.00 H new ATOM 0 HG21 ILE A 5 7.988 4.134 1.564 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.782 4.686 0.070 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.074 4.188 0.039 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.465 0.001 2.266 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.995 0.142 1.368 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.591 1.330 2.630 1.00 1.00 H new ATOM 71 N PRO A 6 9.155 4.046 -2.950 1.00 1.00 N ATOM 72 CA PRO A 6 10.025 5.020 -3.618 1.00 1.00 C ATOM 73 C PRO A 6 10.257 6.262 -2.772 1.00 1.00 C ATOM 74 O PRO A 6 9.487 6.560 -1.864 1.00 1.00 O ATOM 75 CB PRO A 6 9.285 5.355 -4.904 1.00 1.00 C ATOM 76 CG PRO A 6 7.846 5.054 -4.628 1.00 1.00 C ATOM 77 CD PRO A 6 7.811 4.005 -3.540 1.00 1.00 C ATOM 0 HA PRO A 6 11.022 4.619 -3.797 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.422 6.402 -5.174 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.658 4.760 -5.738 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.318 5.954 -4.312 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.349 4.692 -5.528 1.00 1.00 H new ATOM 0 HD2 PRO A 6 7.044 4.228 -2.798 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.585 3.019 -3.946 1.00 1.00 H new ATOM 85 N SER A 7 11.335 6.974 -3.076 1.00 1.00 N ATOM 86 CA SER A 7 11.695 8.187 -2.347 1.00 1.00 C ATOM 87 C SER A 7 10.507 9.138 -2.253 1.00 1.00 C ATOM 88 O SER A 7 9.903 9.495 -3.265 1.00 1.00 O ATOM 89 CB SER A 7 12.860 8.883 -3.042 1.00 1.00 C ATOM 90 OG SER A 7 13.947 7.982 -3.206 1.00 1.00 O ATOM 0 H SER A 7 11.980 6.731 -3.828 1.00 1.00 H new ATOM 0 HA SER A 7 11.991 7.905 -1.337 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.540 9.258 -4.014 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.179 9.745 -2.456 1.00 1.00 H new ATOM 0 HG SER A 7 14.285 7.713 -2.326 1.00 1.00 H new ATOM 96 N GLY A 8 10.182 9.552 -1.031 1.00 1.00 N ATOM 97 CA GLY A 8 9.072 10.473 -0.800 1.00 1.00 C ATOM 98 C GLY A 8 7.914 9.779 -0.092 1.00 1.00 C ATOM 99 O GLY A 8 7.142 10.416 0.625 1.00 1.00 O ATOM 0 H GLY A 8 10.672 9.264 -0.184 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.415 11.316 -0.200 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.729 10.878 -1.752 1.00 1.00 H new ATOM 103 N GLN A 9 7.796 8.474 -0.299 1.00 1.00 N ATOM 104 CA GLN A 9 6.729 7.689 0.315 1.00 1.00 C ATOM 105 C GLN A 9 7.176 7.155 1.669 1.00 1.00 C ATOM 106 O GLN A 9 8.369 7.097 1.959 1.00 1.00 O ATOM 107 CB GLN A 9 6.344 6.531 -0.598 1.00 1.00 C ATOM 108 CG GLN A 9 5.118 6.872 -1.438 1.00 1.00 C ATOM 109 CD GLN A 9 4.401 5.599 -1.867 1.00 1.00 C ATOM 110 OE1 GLN A 9 3.594 5.047 -1.120 1.00 1.00 O ATOM 111 NE2 GLN A 9 4.695 5.132 -3.075 1.00 1.00 N ATOM 0 H GLN A 9 8.428 7.933 -0.890 1.00 1.00 H new ATOM 0 HA GLN A 9 5.862 8.333 0.461 1.00 1.00 H new ATOM 0 HB2 GLN A 9 7.180 6.288 -1.253 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.141 5.644 0.002 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.440 7.504 -0.864 1.00 1.00 H new ATOM 0 HG3 GLN A 9 5.418 7.442 -2.317 1.00 1.00 H new ATOM 0 HE21 GLN A 9 5.371 5.623 -3.661 1.00 1.00 H new ATOM 0 HE22 GLN A 9 4.245 4.283 -3.417 1.00 1.00 H new ATOM 120 N PRO A 10 6.216 6.762 2.519 1.00 1.00 N ATOM 121 CA PRO A 10 6.508 6.231 3.858 1.00 1.00 C ATOM 122 C PRO A 10 6.978 4.781 3.818 1.00 1.00 C ATOM 123 O PRO A 10 6.421 3.954 3.095 1.00 1.00 O ATOM 124 CB PRO A 10 5.181 6.350 4.593 1.00 1.00 C ATOM 125 CG PRO A 10 4.127 6.337 3.531 1.00 1.00 C ATOM 126 CD PRO A 10 4.773 6.806 2.246 1.00 1.00 C ATOM 0 HA PRO A 10 7.319 6.775 4.341 1.00 1.00 H new ATOM 0 HB2 PRO A 10 5.044 5.524 5.290 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.138 7.270 5.176 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.716 5.335 3.410 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.298 6.990 3.805 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.508 6.159 1.410 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.450 7.814 1.984 1.00 1.00 H new ATOM 134 N CYS A 11 8.008 4.480 4.604 1.00 1.00 N ATOM 135 CA CYS A 11 8.563 3.132 4.670 1.00 1.00 C ATOM 136 C CYS A 11 8.670 2.674 6.120 1.00 1.00 C ATOM 137 O CYS A 11 9.008 3.459 7.005 1.00 1.00 O ATOM 138 CB CYS A 11 9.944 3.108 4.021 1.00 1.00 C ATOM 139 SG CYS A 11 11.161 4.050 4.962 1.00 1.00 S ATOM 0 H CYS A 11 8.477 5.156 5.207 1.00 1.00 H new ATOM 0 HA CYS A 11 7.899 2.454 4.134 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.281 2.076 3.927 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.875 3.514 3.012 1.00 1.00 H new ATOM 144 N PRO A 12 8.384 1.389 6.379 1.00 1.00 N ATOM 145 CA PRO A 12 8.450 0.817 7.729 1.00 1.00 C ATOM 146 C PRO A 12 9.886 0.532 8.158 1.00 1.00 C ATOM 147 O PRO A 12 10.301 0.900 9.256 1.00 1.00 O ATOM 148 CB PRO A 12 7.650 -0.473 7.622 1.00 1.00 C ATOM 149 CG PRO A 12 7.709 -0.864 6.180 1.00 1.00 C ATOM 150 CD PRO A 12 7.977 0.391 5.379 1.00 1.00 C ATOM 0 HA PRO A 12 8.057 1.501 8.481 1.00 1.00 H new ATOM 0 HB2 PRO A 12 8.074 -1.251 8.257 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.620 -0.324 7.946 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.496 -1.600 6.014 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.771 -1.324 5.869 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.761 0.229 4.639 1.00 1.00 H new ATOM 0 HD3 PRO A 12 7.088 0.713 4.837 1.00 1.00 H new ATOM 158 N TYR A 13 10.641 -0.123 7.280 1.00 1.00 N ATOM 159 CA TYR A 13 12.034 -0.454 7.562 1.00 1.00 C ATOM 160 C TYR A 13 12.922 -0.011 6.409 1.00 1.00 C ATOM 161 O TYR A 13 12.444 0.205 5.295 1.00 1.00 O ATOM 162 CB TYR A 13 12.191 -1.958 7.765 1.00 1.00 C ATOM 163 CG TYR A 13 10.952 -2.614 8.315 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.714 -2.621 9.678 1.00 1.00 C ATOM 165 CD2 TYR A 13 10.051 -3.218 7.455 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.578 -3.230 10.180 1.00 1.00 C ATOM 167 CE2 TYR A 13 8.915 -3.826 7.958 1.00 1.00 C ATOM 168 CZ TYR A 13 8.684 -3.829 9.317 1.00 1.00 C ATOM 169 OH TYR A 13 7.554 -4.436 9.815 1.00 1.00 O ATOM 0 H TYR A 13 10.311 -0.435 6.367 1.00 1.00 H new ATOM 0 HA TYR A 13 12.332 0.066 8.472 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.448 -2.422 6.813 1.00 1.00 H new ATOM 0 HB3 TYR A 13 13.024 -2.142 8.444 1.00 1.00 H new ATOM 0 HD1 TYR A 13 11.416 -2.151 10.351 1.00 1.00 H new ATOM 0 HD2 TYR A 13 10.235 -3.214 6.391 1.00 1.00 H new ATOM 0 HE1 TYR A 13 9.392 -3.236 11.244 1.00 1.00 H new ATOM 0 HE2 TYR A 13 8.211 -4.297 7.288 1.00 1.00 H new ATOM 0 HH TYR A 13 7.030 -4.808 9.075 1.00 1.00 H new ATOM 179 N ASN A 14 14.217 0.111 6.676 1.00 1.00 N ATOM 180 CA ASN A 14 15.173 0.516 5.657 1.00 1.00 C ATOM 181 C ASN A 14 15.339 -0.588 4.615 1.00 1.00 C ATOM 182 O ASN A 14 16.026 -0.407 3.609 1.00 1.00 O ATOM 183 CB ASN A 14 16.519 0.824 6.306 1.00 1.00 C ATOM 184 CG ASN A 14 16.331 1.623 7.581 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.208 1.861 8.025 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.439 2.035 8.173 1.00 1.00 N ATOM 0 H ASN A 14 14.628 -0.066 7.593 1.00 1.00 H new ATOM 0 HA ASN A 14 14.799 1.411 5.160 1.00 1.00 H new ATOM 0 HB2 ASN A 14 17.042 -0.106 6.528 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.144 1.383 5.610 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.385 2.575 9.037 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.348 1.813 7.766 1.00 1.00 H new ATOM 193 N GLU A 15 14.710 -1.736 4.865 1.00 1.00 N ATOM 194 CA GLU A 15 14.789 -2.876 3.956 1.00 1.00 C ATOM 195 C GLU A 15 13.606 -2.886 2.993 1.00 1.00 C ATOM 196 O GLU A 15 13.604 -3.628 2.010 1.00 1.00 O ATOM 197 CB GLU A 15 14.805 -4.171 4.760 1.00 1.00 C ATOM 198 CG GLU A 15 15.917 -5.103 4.290 1.00 1.00 C ATOM 199 CD GLU A 15 15.877 -6.406 5.077 1.00 1.00 C ATOM 200 OE1 GLU A 15 15.909 -6.349 6.324 1.00 1.00 O ATOM 201 OE2 GLU A 15 15.812 -7.482 4.444 1.00 1.00 O ATOM 0 H GLU A 15 14.138 -1.900 5.693 1.00 1.00 H new ATOM 0 HA GLU A 15 15.707 -2.792 3.375 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.941 -3.943 5.817 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.842 -4.673 4.664 1.00 1.00 H new ATOM 0 HG2 GLU A 15 15.804 -5.309 3.226 1.00 1.00 H new ATOM 0 HG3 GLU A 15 16.886 -4.620 4.420 1.00 1.00 H new ATOM 208 N ASN A 16 12.600 -2.068 3.280 1.00 1.00 N ATOM 209 CA ASN A 16 11.410 -1.997 2.436 1.00 1.00 C ATOM 210 C ASN A 16 11.462 -0.771 1.529 1.00 1.00 C ATOM 211 O ASN A 16 10.484 -0.450 0.852 1.00 1.00 O ATOM 212 CB ASN A 16 10.156 -1.948 3.305 1.00 1.00 C ATOM 213 CG ASN A 16 8.984 -2.595 2.578 1.00 1.00 C ATOM 214 OD1 ASN A 16 9.174 -3.435 1.698 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.770 -2.205 2.948 1.00 1.00 N ATOM 0 H ASN A 16 12.583 -1.446 4.088 1.00 1.00 H new ATOM 0 HA ASN A 16 11.379 -2.889 1.810 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.338 -2.464 4.248 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.915 -0.914 3.550 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.947 -2.605 2.498 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.661 -1.506 3.682 1.00 1.00 H new ATOM 222 N CYS A 17 12.603 -0.091 1.516 1.00 1.00 N ATOM 223 CA CYS A 17 12.771 1.098 0.686 1.00 1.00 C ATOM 224 C CYS A 17 13.344 0.722 -0.672 1.00 1.00 C ATOM 225 O CYS A 17 14.161 -0.193 -0.781 1.00 1.00 O ATOM 226 CB CYS A 17 13.691 2.098 1.375 1.00 1.00 C ATOM 227 SG CYS A 17 12.817 3.593 1.871 1.00 1.00 S ATOM 0 H CYS A 17 13.423 -0.341 2.068 1.00 1.00 H new ATOM 0 HA CYS A 17 11.793 1.556 0.541 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.139 1.632 2.253 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.507 2.362 0.703 1.00 1.00 H new ATOM 232 N CYS A 18 12.919 1.441 -1.706 1.00 1.00 N ATOM 233 CA CYS A 18 13.398 1.191 -3.057 1.00 1.00 C ATOM 234 C CYS A 18 14.907 1.366 -3.097 1.00 1.00 C ATOM 235 O CYS A 18 15.617 0.616 -3.767 1.00 1.00 O ATOM 236 CB CYS A 18 12.731 2.156 -4.030 1.00 1.00 C ATOM 237 SG CYS A 18 11.015 1.720 -4.365 1.00 1.00 S ATOM 0 H CYS A 18 12.243 2.202 -1.632 1.00 1.00 H new ATOM 0 HA CYS A 18 13.147 0.171 -3.349 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.773 3.166 -3.622 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.289 2.167 -4.966 1.00 1.00 H new ATOM 242 N SER A 19 15.388 2.359 -2.360 1.00 1.00 N ATOM 243 CA SER A 19 16.811 2.645 -2.282 1.00 1.00 C ATOM 244 C SER A 19 17.435 1.896 -1.109 1.00 1.00 C ATOM 245 O SER A 19 18.657 1.858 -0.966 1.00 1.00 O ATOM 246 CB SER A 19 17.031 4.143 -2.111 1.00 1.00 C ATOM 247 OG SER A 19 17.021 4.488 -0.732 1.00 1.00 O ATOM 0 H SER A 19 14.805 2.984 -1.803 1.00 1.00 H new ATOM 0 HA SER A 19 17.286 2.315 -3.206 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.982 4.431 -2.558 1.00 1.00 H new ATOM 0 HB3 SER A 19 16.251 4.694 -2.637 1.00 1.00 H new ATOM 0 HG SER A 19 17.004 5.463 -0.639 1.00 1.00 H new ATOM 253 N GLN A 20 16.588 1.306 -0.270 1.00 1.00 N ATOM 254 CA GLN A 20 17.052 0.561 0.896 1.00 1.00 C ATOM 255 C GLN A 20 17.469 1.515 2.010 1.00 1.00 C ATOM 256 O GLN A 20 18.002 1.088 3.034 1.00 1.00 O ATOM 257 CB GLN A 20 18.223 -0.335 0.512 1.00 1.00 C ATOM 258 CG GLN A 20 17.941 -1.793 0.867 1.00 1.00 C ATOM 259 CD GLN A 20 16.566 -2.206 0.360 1.00 1.00 C ATOM 260 OE1 GLN A 20 15.560 -2.027 1.047 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.521 -2.764 -0.845 1.00 1.00 N ATOM 0 H GLN A 20 15.574 1.330 -0.377 1.00 1.00 H new ATOM 0 HA GLN A 20 16.232 -0.059 1.259 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.415 -0.249 -0.557 1.00 1.00 H new ATOM 0 HB3 GLN A 20 19.124 -0.000 1.026 1.00 1.00 H new ATOM 0 HG2 GLN A 20 18.705 -2.435 0.429 1.00 1.00 H new ATOM 0 HG3 GLN A 20 17.993 -1.928 1.947 1.00 1.00 H new ATOM 0 HE21 GLN A 20 17.380 -2.893 -1.380 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.627 -3.063 -1.235 1.00 1.00 H new ATOM 270 N SER A 21 17.228 2.807 1.806 1.00 1.00 N ATOM 271 CA SER A 21 17.581 3.815 2.797 1.00 1.00 C ATOM 272 C SER A 21 16.331 4.505 3.327 1.00 1.00 C ATOM 273 O SER A 21 15.709 5.299 2.625 1.00 1.00 O ATOM 274 CB SER A 21 18.512 4.848 2.170 1.00 1.00 C ATOM 275 OG SER A 21 19.865 4.432 2.292 1.00 1.00 O ATOM 0 H SER A 21 16.790 3.179 0.963 1.00 1.00 H new ATOM 0 HA SER A 21 18.087 3.325 3.628 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.260 4.984 1.118 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.376 5.813 2.658 1.00 1.00 H new ATOM 0 HG SER A 21 20.452 5.103 1.884 1.00 1.00 H new ATOM 281 N CYS A 22 15.970 4.207 4.574 1.00 1.00 N ATOM 282 CA CYS A 22 14.796 4.812 5.198 1.00 1.00 C ATOM 283 C CYS A 22 15.230 5.926 6.141 1.00 1.00 C ATOM 284 O CYS A 22 16.277 5.833 6.783 1.00 1.00 O ATOM 285 CB CYS A 22 14.008 3.756 5.967 1.00 1.00 C ATOM 286 SG CYS A 22 12.815 2.889 4.929 1.00 1.00 S ATOM 0 H CYS A 22 16.473 3.551 5.171 1.00 1.00 H new ATOM 0 HA CYS A 22 14.157 5.231 4.420 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.701 3.034 6.399 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.485 4.231 6.797 1.00 1.00 H new ATOM 291 N THR A 23 14.426 6.981 6.223 1.00 1.00 N ATOM 292 CA THR A 23 14.739 8.114 7.088 1.00 1.00 C ATOM 293 C THR A 23 13.506 8.547 7.872 1.00 1.00 C ATOM 294 O THR A 23 12.419 8.002 7.688 1.00 1.00 O ATOM 295 CB THR A 23 15.259 9.277 6.244 1.00 1.00 C ATOM 296 OG1 THR A 23 15.032 10.508 6.912 1.00 1.00 O ATOM 297 CG2 THR A 23 14.585 9.294 4.874 1.00 1.00 C ATOM 0 H THR A 23 13.554 7.076 5.702 1.00 1.00 H new ATOM 0 HA THR A 23 15.509 7.811 7.798 1.00 1.00 H new ATOM 0 HB THR A 23 16.331 9.143 6.101 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.371 11.246 6.363 1.00 1.00 H new ATOM 0 HG21 THR A 23 14.970 10.130 4.290 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.795 8.360 4.353 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.508 9.405 5.000 1.00 1.00 H new ATOM 305 N PHE A 24 13.685 9.527 8.753 1.00 1.00 N ATOM 306 CA PHE A 24 12.592 10.039 9.572 1.00 1.00 C ATOM 307 C PHE A 24 12.367 11.520 9.283 1.00 1.00 C ATOM 308 O PHE A 24 13.238 12.350 9.542 1.00 1.00 O ATOM 309 CB PHE A 24 12.924 9.851 11.048 1.00 1.00 C ATOM 310 CG PHE A 24 11.993 8.901 11.757 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.686 9.275 12.017 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.449 7.657 12.162 1.00 1.00 C ATOM 313 CE1 PHE A 24 9.833 8.406 12.677 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.597 6.787 12.820 1.00 1.00 C ATOM 315 CZ PHE A 24 10.289 7.162 13.079 1.00 1.00 C ATOM 0 H PHE A 24 14.582 9.984 8.918 1.00 1.00 H new ATOM 0 HA PHE A 24 11.683 9.488 9.331 1.00 1.00 H new ATOM 0 HB2 PHE A 24 13.945 9.481 11.138 1.00 1.00 H new ATOM 0 HB3 PHE A 24 12.890 10.820 11.546 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.331 10.246 11.705 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.470 7.366 11.964 1.00 1.00 H new ATOM 0 HE1 PHE A 24 8.813 8.699 12.878 1.00 1.00 H new ATOM 0 HE2 PHE A 24 11.952 5.816 13.131 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.625 6.484 13.594 1.00 1.00 H new ATOM 325 N LYS A 25 11.193 11.849 8.754 1.00 1.00 N ATOM 326 CA LYS A 25 10.852 13.232 8.439 1.00 1.00 C ATOM 327 C LYS A 25 9.835 13.758 9.444 1.00 1.00 C ATOM 328 O LYS A 25 9.066 12.990 10.016 1.00 1.00 O ATOM 329 CB LYS A 25 10.286 13.322 7.024 1.00 1.00 C ATOM 330 CG LYS A 25 10.678 14.634 6.352 1.00 1.00 C ATOM 331 CD LYS A 25 9.581 15.684 6.505 1.00 1.00 C ATOM 332 CE LYS A 25 9.997 17.013 5.882 1.00 1.00 C ATOM 333 NZ LYS A 25 8.944 18.052 6.073 1.00 1.00 N ATOM 0 H LYS A 25 10.460 11.175 8.534 1.00 1.00 H new ATOM 0 HA LYS A 25 11.754 13.842 8.496 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.651 12.484 6.430 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.200 13.239 7.059 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.604 15.006 6.789 1.00 1.00 H new ATOM 0 HG3 LYS A 25 10.872 14.459 5.294 1.00 1.00 H new ATOM 0 HD2 LYS A 25 8.666 15.329 6.032 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.358 15.829 7.562 1.00 1.00 H new ATOM 0 HE2 LYS A 25 10.931 17.351 6.331 1.00 1.00 H new ATOM 0 HE3 LYS A 25 10.186 16.875 4.817 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 9.390 18.989 6.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.292 18.039 5.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.415 17.854 6.946 1.00 1.00 H new ATOM 347 N GLU A 26 9.838 15.068 9.662 1.00 1.00 N ATOM 348 CA GLU A 26 8.919 15.684 10.607 1.00 1.00 C ATOM 349 C GLU A 26 7.679 16.209 9.893 1.00 1.00 C ATOM 350 O GLU A 26 7.771 16.783 8.808 1.00 1.00 O ATOM 351 CB GLU A 26 9.615 16.822 11.345 1.00 1.00 C ATOM 352 CG GLU A 26 9.033 17.010 12.743 1.00 1.00 C ATOM 353 CD GLU A 26 10.105 16.769 13.797 1.00 1.00 C ATOM 354 OE1 GLU A 26 10.935 17.674 14.018 1.00 1.00 O ATOM 355 OE2 GLU A 26 10.112 15.675 14.399 1.00 1.00 O ATOM 0 H GLU A 26 10.467 15.722 9.197 1.00 1.00 H new ATOM 0 HA GLU A 26 8.607 14.927 11.326 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.682 16.613 11.418 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.509 17.746 10.777 1.00 1.00 H new ATOM 0 HG2 GLU A 26 8.633 18.019 12.845 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.202 16.321 12.895 1.00 1.00 H new ATOM 362 N ASN A 27 6.520 16.008 10.512 1.00 1.00 N ATOM 363 CA ASN A 27 5.253 16.458 9.946 1.00 1.00 C ATOM 364 C ASN A 27 4.823 17.767 10.593 1.00 1.00 C ATOM 365 O ASN A 27 5.525 18.314 11.444 1.00 1.00 O ATOM 366 CB ASN A 27 4.161 15.406 10.158 1.00 1.00 C ATOM 367 CG ASN A 27 4.718 14.153 10.827 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.767 13.641 10.434 1.00 1.00 O ATOM 369 ND2 ASN A 27 4.015 13.660 11.839 1.00 1.00 N ATOM 0 H ASN A 27 6.432 15.534 11.411 1.00 1.00 H new ATOM 0 HA ASN A 27 5.396 16.610 8.876 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.364 15.825 10.773 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.717 15.141 9.198 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.339 12.824 12.325 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.151 14.117 12.131 1.00 1.00 H new ATOM 376 N GLU A 28 3.658 18.260 10.189 1.00 1.00 N ATOM 377 CA GLU A 28 3.120 19.498 10.729 1.00 1.00 C ATOM 378 C GLU A 28 2.248 19.205 11.942 1.00 1.00 C ATOM 379 O GLU A 28 1.941 20.099 12.730 1.00 1.00 O ATOM 380 CB GLU A 28 2.303 20.224 9.665 1.00 1.00 C ATOM 381 CG GLU A 28 2.035 21.672 10.066 1.00 1.00 C ATOM 382 CD GLU A 28 3.266 22.530 9.801 1.00 1.00 C ATOM 383 OE1 GLU A 28 3.758 22.526 8.653 1.00 1.00 O ATOM 384 OE2 GLU A 28 3.734 23.205 10.741 1.00 1.00 O ATOM 0 H GLU A 28 3.067 17.817 9.486 1.00 1.00 H new ATOM 0 HA GLU A 28 3.949 20.136 11.035 1.00 1.00 H new ATOM 0 HB2 GLU A 28 2.836 20.200 8.715 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.357 19.705 9.513 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.185 22.060 9.505 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.770 21.721 11.122 1.00 1.00 H new ATOM 391 N ASN A 29 1.855 17.942 12.089 1.00 1.00 N ATOM 392 CA ASN A 29 1.021 17.525 13.208 1.00 1.00 C ATOM 393 C ASN A 29 1.812 17.586 14.506 1.00 1.00 C ATOM 394 O ASN A 29 1.244 17.511 15.596 1.00 1.00 O ATOM 395 CB ASN A 29 0.513 16.105 12.971 1.00 1.00 C ATOM 396 CG ASN A 29 -0.813 15.890 13.690 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.656 16.786 13.736 1.00 1.00 O ATOM 398 ND2 ASN A 29 -0.997 14.701 14.251 1.00 1.00 N ATOM 0 H ASN A 29 2.102 17.190 11.445 1.00 1.00 H new ATOM 0 HA ASN A 29 0.170 18.201 13.287 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.387 15.930 11.902 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.249 15.384 13.328 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.866 14.500 14.746 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.270 13.989 14.187 1.00 1.00 H new ATOM 405 N GLY A 30 3.130 17.724 14.384 1.00 1.00 N ATOM 406 CA GLY A 30 4.003 17.798 15.545 1.00 1.00 C ATOM 407 C GLY A 30 4.572 16.426 15.876 1.00 1.00 C ATOM 408 O GLY A 30 5.016 16.180 16.997 1.00 1.00 O ATOM 0 H GLY A 30 3.615 17.787 13.489 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.816 18.498 15.351 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.448 18.183 16.400 1.00 1.00 H new ATOM 412 N ASN A 31 4.558 15.537 14.889 1.00 1.00 N ATOM 413 CA ASN A 31 5.073 14.187 15.064 1.00 1.00 C ATOM 414 C ASN A 31 6.161 13.915 14.037 1.00 1.00 C ATOM 415 O ASN A 31 6.558 14.810 13.296 1.00 1.00 O ATOM 416 CB ASN A 31 3.941 13.180 14.904 1.00 1.00 C ATOM 417 CG ASN A 31 3.313 12.871 16.256 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.812 12.034 17.007 1.00 1.00 O ATOM 419 ND2 ASN A 31 2.214 13.549 16.567 1.00 1.00 N ATOM 0 H ASN A 31 4.194 15.730 13.956 1.00 1.00 H new ATOM 0 HA ASN A 31 5.496 14.090 16.064 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.185 13.577 14.227 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.322 12.263 14.454 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.749 13.385 17.460 1.00 1.00 H new ATOM 0 HD22 ASN A 31 1.835 14.234 15.913 1.00 1.00 H new ATOM 426 N THR A 32 6.639 12.678 13.990 1.00 1.00 N ATOM 427 CA THR A 32 7.678 12.303 13.039 1.00 1.00 C ATOM 428 C THR A 32 7.413 10.910 12.480 1.00 1.00 C ATOM 429 O THR A 32 7.170 9.964 13.229 1.00 1.00 O ATOM 430 CB THR A 32 9.050 12.356 13.707 1.00 1.00 C ATOM 431 OG1 THR A 32 10.063 12.490 12.724 1.00 1.00 O ATOM 432 CG2 THR A 32 9.301 11.106 14.546 1.00 1.00 C ATOM 0 H THR A 32 6.326 11.920 14.596 1.00 1.00 H new ATOM 0 HA THR A 32 7.664 13.014 12.213 1.00 1.00 H new ATOM 0 HB THR A 32 9.072 13.221 14.369 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.651 12.573 11.839 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.285 11.171 15.010 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.539 11.029 15.321 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.259 10.224 13.907 1.00 1.00 H new ATOM 440 N VAL A 33 7.466 10.792 11.158 1.00 1.00 N ATOM 441 CA VAL A 33 7.243 9.517 10.488 1.00 1.00 C ATOM 442 C VAL A 33 8.505 9.110 9.746 1.00 1.00 C ATOM 443 O VAL A 33 9.515 9.805 9.806 1.00 1.00 O ATOM 444 CB VAL A 33 6.077 9.632 9.507 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.364 8.291 9.358 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.096 10.709 9.962 1.00 1.00 C ATOM 0 H VAL A 33 7.663 11.569 10.527 1.00 1.00 H new ATOM 0 HA VAL A 33 6.998 8.760 11.233 1.00 1.00 H new ATOM 0 HB VAL A 33 6.477 9.919 8.535 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.537 8.395 8.655 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.066 7.545 8.985 1.00 1.00 H new ATOM 0 HG13 VAL A 33 4.979 7.974 10.327 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.273 10.776 9.250 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.705 10.452 10.946 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.609 11.669 10.015 1.00 1.00 H new ATOM 456 N LYS A 34 8.449 7.988 9.045 1.00 1.00 N ATOM 457 CA LYS A 34 9.599 7.507 8.295 1.00 1.00 C ATOM 458 C LYS A 34 9.270 7.444 6.809 1.00 1.00 C ATOM 459 O LYS A 34 8.275 6.840 6.411 1.00 1.00 O ATOM 460 CB LYS A 34 9.999 6.128 8.797 1.00 1.00 C ATOM 461 CG LYS A 34 11.046 6.232 9.900 1.00 1.00 C ATOM 462 CD LYS A 34 11.108 4.949 10.724 1.00 1.00 C ATOM 463 CE LYS A 34 9.882 4.808 11.622 1.00 1.00 C ATOM 464 NZ LYS A 34 9.149 3.541 11.347 1.00 1.00 N ATOM 0 H LYS A 34 7.622 7.395 8.980 1.00 1.00 H new ATOM 0 HA LYS A 34 10.430 8.197 8.440 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.120 5.605 9.173 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.393 5.536 7.971 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.023 6.432 9.460 1.00 1.00 H new ATOM 0 HG3 LYS A 34 10.810 7.074 10.551 1.00 1.00 H new ATOM 0 HD2 LYS A 34 11.174 4.089 10.058 1.00 1.00 H new ATOM 0 HD3 LYS A 34 12.011 4.950 11.335 1.00 1.00 H new ATOM 0 HE2 LYS A 34 10.190 4.832 12.667 1.00 1.00 H new ATOM 0 HE3 LYS A 34 9.216 5.657 11.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 8.322 3.476 11.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 8.834 3.530 10.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 9.779 2.731 11.519 1.00 1.00 H new ATOM 478 N ARG A 35 10.110 8.071 5.992 1.00 1.00 N ATOM 479 CA ARG A 35 9.910 8.086 4.548 1.00 1.00 C ATOM 480 C ARG A 35 11.061 7.370 3.851 1.00 1.00 C ATOM 481 O ARG A 35 11.886 6.727 4.499 1.00 1.00 O ATOM 482 CB ARG A 35 9.808 9.524 4.051 1.00 1.00 C ATOM 483 CG ARG A 35 8.588 10.226 4.642 1.00 1.00 C ATOM 484 CD ARG A 35 8.630 11.728 4.377 1.00 1.00 C ATOM 485 NE ARG A 35 7.293 12.224 4.071 1.00 1.00 N ATOM 486 CZ ARG A 35 7.071 13.504 3.785 1.00 1.00 C ATOM 487 NH1 ARG A 35 8.085 14.353 3.709 1.00 1.00 N ATOM 488 NH2 ARG A 35 5.834 13.933 3.575 1.00 1.00 N ATOM 0 H ARG A 35 10.938 8.577 6.307 1.00 1.00 H new ATOM 0 HA ARG A 35 8.981 7.565 4.315 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.712 10.070 4.321 1.00 1.00 H new ATOM 0 HB3 ARG A 35 9.744 9.532 2.963 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.679 9.804 4.212 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.547 10.045 5.716 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.028 12.247 5.249 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.303 11.939 3.546 1.00 1.00 H new ATOM 0 HE ARG A 35 6.508 11.573 4.076 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.038 14.026 3.870 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.913 15.334 3.490 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.051 13.281 3.633 1.00 1.00 H new ATOM 0 HH22 ARG A 35 5.665 14.915 3.356 1.00 1.00 H new ATOM 502 N CYS A 36 11.105 7.477 2.528 1.00 1.00 N ATOM 503 CA CYS A 36 12.149 6.832 1.742 1.00 1.00 C ATOM 504 C CYS A 36 13.103 7.865 1.156 1.00 1.00 C ATOM 505 O CYS A 36 12.690 8.774 0.436 1.00 1.00 O ATOM 506 CB CYS A 36 11.522 6.011 0.622 1.00 1.00 C ATOM 507 SG CYS A 36 12.554 4.612 0.147 1.00 1.00 S ATOM 0 H CYS A 36 10.429 8.005 1.977 1.00 1.00 H new ATOM 0 HA CYS A 36 12.717 6.173 2.399 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.545 5.648 0.942 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.356 6.650 -0.246 1.00 1.00 H new ATOM 512 N ASP A 37 14.384 7.711 1.466 1.00 1.00 N ATOM 513 CA ASP A 37 15.416 8.615 0.976 1.00 1.00 C ATOM 514 C ASP A 37 15.180 8.954 -0.490 1.00 1.00 C ATOM 515 O ASP A 37 15.611 8.167 -1.360 1.00 0.00 O ATOM 516 CB ASP A 37 16.785 7.965 1.149 1.00 1.00 C ATOM 517 CG ASP A 37 17.372 8.324 2.507 1.00 1.00 C ATOM 518 OD1 ASP A 37 16.749 7.983 3.534 1.00 1.00 O ATOM 519 OD2 ASP A 37 18.453 8.948 2.542 1.00 1.00 O ATOM 520 OXT ASP A 37 14.564 10.005 -0.766 1.00 0.00 O ATOM 0 H ASP A 37 14.735 6.960 2.061 1.00 1.00 H new ATOM 0 HA ASP A 37 15.378 9.540 1.551 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.695 6.882 1.059 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.455 8.297 0.356 1.00 1.00 H new TER 525 ASP A 37