USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 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 6 CYS SG : rot 167:sc= -0.0533 USER MOD Set 1.2: A 9 CYS SG : rot -77:sc= 2.17 USER MOD Set 1.3: A 39 CYS SG : rot -152:sc= -0.719! USER MOD Set 1.4: A 42 CYS SG : rot 80:sc= -5.04! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0511 USER MOD Single : A 7 THR OG1 : rot -133:sc= 1.01 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 173:sc= -2.52! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 135:sc= 0.942 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.751 12.429 -2.187 1.00 0.00 N ATOM 2 CA MET A 1 -5.230 12.018 -3.479 1.00 0.00 C ATOM 3 C MET A 1 -5.491 10.530 -3.727 1.00 0.00 C ATOM 4 O MET A 1 -6.348 10.172 -4.533 1.00 0.00 O ATOM 5 CB MET A 1 -3.726 12.288 -3.533 1.00 0.00 C ATOM 6 CG MET A 1 -3.364 13.129 -4.759 1.00 0.00 C ATOM 7 SD MET A 1 -4.001 14.786 -4.573 1.00 0.00 S ATOM 8 CE MET A 1 -3.264 15.564 -6.000 1.00 0.00 C ATOM 0 H1 MET A 1 -5.562 13.441 -2.042 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.777 12.261 -2.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.288 11.879 -1.435 1.00 0.00 H new ATOM 0 HA MET A 1 -5.739 12.592 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.413 12.806 -2.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.184 11.343 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.281 13.159 -4.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.776 12.671 -5.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.561 16.612 -6.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.178 15.497 -5.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.602 15.059 -6.905 1.00 0.00 H new ATOM 20 N ASP A 2 -4.736 9.704 -3.017 1.00 0.00 N ATOM 21 CA ASP A 2 -4.875 8.264 -3.150 1.00 0.00 C ATOM 22 C ASP A 2 -4.031 7.574 -2.076 1.00 0.00 C ATOM 23 O ASP A 2 -3.026 6.936 -2.385 1.00 0.00 O ATOM 24 CB ASP A 2 -4.381 7.786 -4.517 1.00 0.00 C ATOM 25 CG ASP A 2 -5.440 7.784 -5.622 1.00 0.00 C ATOM 26 OD1 ASP A 2 -6.576 7.330 -5.417 1.00 0.00 O ATOM 27 OD2 ASP A 2 -5.054 8.280 -6.748 1.00 0.00 O ATOM 0 H ASP A 2 -4.027 10.005 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.931 8.016 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.552 8.421 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.986 6.776 -4.411 1.00 0.00 H new ATOM 32 N ILE A 3 -4.472 7.725 -0.835 1.00 0.00 N ATOM 33 CA ILE A 3 -3.770 7.124 0.286 1.00 0.00 C ATOM 34 C ILE A 3 -4.573 5.928 0.803 1.00 0.00 C ATOM 35 O ILE A 3 -5.800 5.898 0.761 1.00 0.00 O ATOM 36 CB ILE A 3 -3.474 8.175 1.358 1.00 0.00 C ATOM 37 CG1 ILE A 3 -2.496 9.230 0.836 1.00 0.00 C ATOM 38 CG2 ILE A 3 -2.975 7.518 2.647 1.00 0.00 C ATOM 39 CD1 ILE A 3 -3.095 10.633 0.943 1.00 0.00 C ATOM 0 H ILE A 3 -5.306 8.255 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.799 6.744 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.404 8.690 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.567 9.183 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.245 9.016 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.772 8.287 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.737 6.837 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.061 6.962 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.380 11.364 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.011 10.684 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.322 10.853 1.986 1.00 0.00 H new ATOM 51 N TYR A 4 -3.840 4.929 1.299 1.00 0.00 N ATOM 52 CA TYR A 4 -4.449 3.724 1.826 1.00 0.00 C ATOM 53 C TYR A 4 -4.112 3.580 3.303 1.00 0.00 C ATOM 54 O TYR A 4 -2.992 3.906 3.692 1.00 0.00 O ATOM 55 CB TYR A 4 -3.951 2.517 1.037 1.00 0.00 C ATOM 56 CG TYR A 4 -4.659 2.326 -0.283 1.00 0.00 C ATOM 57 CD1 TYR A 4 -4.417 3.209 -1.342 1.00 0.00 C ATOM 58 CD2 TYR A 4 -5.557 1.265 -0.449 1.00 0.00 C ATOM 59 CE1 TYR A 4 -5.073 3.032 -2.566 1.00 0.00 C ATOM 60 CE2 TYR A 4 -6.213 1.087 -1.673 1.00 0.00 C ATOM 61 CZ TYR A 4 -5.971 1.971 -2.731 1.00 0.00 C ATOM 62 OH TYR A 4 -6.609 1.798 -3.924 1.00 0.00 O ATOM 0 H TYR A 4 -2.821 4.939 1.343 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.533 3.785 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.882 2.628 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.079 1.619 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.724 4.027 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.744 0.583 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.886 3.714 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.905 0.268 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.196 1.015 -3.870 1.00 0.00 H new ATOM 72 N VAL A 5 -5.069 3.102 4.086 1.00 0.00 N ATOM 73 CA VAL A 5 -4.851 2.924 5.511 1.00 0.00 C ATOM 74 C VAL A 5 -5.068 1.455 5.877 1.00 0.00 C ATOM 75 O VAL A 5 -6.107 0.879 5.557 1.00 0.00 O ATOM 76 CB VAL A 5 -5.751 3.876 6.301 1.00 0.00 C ATOM 77 CG1 VAL A 5 -7.207 3.406 6.271 1.00 0.00 C ATOM 78 CG2 VAL A 5 -5.255 4.033 7.740 1.00 0.00 C ATOM 0 H VAL A 5 -5.997 2.833 3.760 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.824 3.176 5.774 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.705 4.854 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.825 4.100 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.557 3.370 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.278 2.412 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.913 4.715 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.257 3.061 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.242 4.435 7.734 1.00 0.00 H new ATOM 88 N CYS A 6 -4.071 0.890 6.542 1.00 0.00 N ATOM 89 CA CYS A 6 -4.140 -0.502 6.955 1.00 0.00 C ATOM 90 C CYS A 6 -5.198 -0.625 8.054 1.00 0.00 C ATOM 91 O CYS A 6 -5.381 0.295 8.849 1.00 0.00 O ATOM 92 CB CYS A 6 -2.777 -1.024 7.413 1.00 0.00 C ATOM 93 SG CYS A 6 -2.687 -2.838 7.639 1.00 0.00 S ATOM 0 H CYS A 6 -3.211 1.371 6.805 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.426 -1.123 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.025 -0.725 6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.516 -0.541 8.355 1.00 0.00 H new ATOM 0 HG CYS A 6 -1.444 -3.199 7.761 1.00 0.00 H new ATOM 98 N THR A 7 -5.865 -1.769 8.062 1.00 0.00 N ATOM 99 CA THR A 7 -6.900 -2.025 9.050 1.00 0.00 C ATOM 100 C THR A 7 -6.433 -3.085 10.049 1.00 0.00 C ATOM 101 O THR A 7 -7.238 -3.631 10.802 1.00 0.00 O ATOM 102 CB THR A 7 -8.179 -2.412 8.306 1.00 0.00 C ATOM 103 OG1 THR A 7 -7.728 -3.276 7.267 1.00 0.00 O ATOM 104 CG2 THR A 7 -8.805 -1.231 7.563 1.00 0.00 C ATOM 0 H THR A 7 -5.709 -2.530 7.400 1.00 0.00 H new ATOM 0 HA THR A 7 -7.109 -1.135 9.643 1.00 0.00 H new ATOM 0 HB THR A 7 -8.901 -2.819 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.135 -3.006 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.710 -1.561 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.056 -0.445 8.275 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.096 -0.844 6.831 1.00 0.00 H new ATOM 112 N VAL A 8 -5.134 -3.345 10.023 1.00 0.00 N ATOM 113 CA VAL A 8 -4.550 -4.330 10.917 1.00 0.00 C ATOM 114 C VAL A 8 -3.737 -3.614 11.998 1.00 0.00 C ATOM 115 O VAL A 8 -3.875 -3.914 13.183 1.00 0.00 O ATOM 116 CB VAL A 8 -3.723 -5.338 10.117 1.00 0.00 C ATOM 117 CG1 VAL A 8 -2.994 -6.311 11.046 1.00 0.00 C ATOM 118 CG2 VAL A 8 -4.598 -6.091 9.113 1.00 0.00 C ATOM 0 H VAL A 8 -4.470 -2.890 9.397 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.332 -4.898 11.421 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.971 -4.783 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.414 -7.016 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.326 -5.755 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.723 -6.856 11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.986 -6.801 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.383 -6.628 9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.050 -5.381 8.420 1.00 0.00 H new ATOM 128 N CYS A 9 -2.909 -2.682 11.550 1.00 0.00 N ATOM 129 CA CYS A 9 -2.074 -1.921 12.464 1.00 0.00 C ATOM 130 C CYS A 9 -2.363 -0.434 12.253 1.00 0.00 C ATOM 131 O CYS A 9 -2.878 0.236 13.148 1.00 0.00 O ATOM 132 CB CYS A 9 -0.591 -2.246 12.280 1.00 0.00 C ATOM 133 SG CYS A 9 -0.059 -2.443 10.540 1.00 0.00 S ATOM 0 H CYS A 9 -2.798 -2.436 10.566 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.313 -2.194 13.492 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.000 -1.453 12.738 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.365 -3.165 12.821 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.447 -3.602 10.096 1.00 0.00 H new ATOM 138 N GLY A 10 -2.020 0.040 11.064 1.00 0.00 N ATOM 139 CA GLY A 10 -2.236 1.436 10.724 1.00 0.00 C ATOM 140 C GLY A 10 -0.971 2.058 10.131 1.00 0.00 C ATOM 141 O GLY A 10 -0.396 3.005 10.664 1.00 0.00 O ATOM 0 H GLY A 10 -1.594 -0.518 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.055 1.517 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.534 1.989 11.615 1.00 0.00 H new ATOM 145 N TYR A 11 -0.544 1.496 8.998 1.00 0.00 N ATOM 146 CA TYR A 11 0.642 1.968 8.312 1.00 0.00 C ATOM 147 C TYR A 11 0.259 2.545 6.956 1.00 0.00 C ATOM 148 O TYR A 11 0.209 1.794 5.983 1.00 0.00 O ATOM 149 CB TYR A 11 1.627 0.814 8.149 1.00 0.00 C ATOM 150 CG TYR A 11 2.598 1.006 7.008 1.00 0.00 C ATOM 151 CD1 TYR A 11 3.756 1.770 7.195 1.00 0.00 C ATOM 152 CD2 TYR A 11 2.339 0.419 5.764 1.00 0.00 C ATOM 153 CE1 TYR A 11 4.655 1.947 6.137 1.00 0.00 C ATOM 154 CE2 TYR A 11 3.239 0.597 4.706 1.00 0.00 C ATOM 155 CZ TYR A 11 4.397 1.361 4.893 1.00 0.00 C ATOM 156 OH TYR A 11 5.274 1.533 3.862 1.00 0.00 O ATOM 0 H TYR A 11 -1.010 0.711 8.542 1.00 0.00 H new ATOM 0 HA TYR A 11 1.117 2.755 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.188 0.692 9.076 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.070 -0.109 7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.956 2.223 8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.446 -0.171 5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.549 2.536 6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.040 0.145 3.746 1.00 0.00 H new ATOM 0 HH TYR A 11 4.945 1.059 3.070 1.00 0.00 H new ATOM 166 N GLU A 12 -0.001 3.844 6.916 1.00 0.00 N ATOM 167 CA GLU A 12 -0.375 4.494 5.672 1.00 0.00 C ATOM 168 C GLU A 12 0.573 4.074 4.547 1.00 0.00 C ATOM 169 O GLU A 12 1.776 4.320 4.582 1.00 0.00 O ATOM 170 CB GLU A 12 -0.396 6.015 5.833 1.00 0.00 C ATOM 171 CG GLU A 12 0.870 6.509 6.536 1.00 0.00 C ATOM 172 CD GLU A 12 0.535 7.135 7.892 1.00 0.00 C ATOM 173 OE1 GLU A 12 0.234 6.410 8.851 1.00 0.00 O ATOM 174 OE2 GLU A 12 0.599 8.423 7.929 1.00 0.00 O ATOM 0 H GLU A 12 0.040 4.463 7.725 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.383 4.176 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.480 6.487 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.274 6.312 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.561 5.677 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.377 7.242 5.908 1.00 0.00 H new ATOM 181 N TYR A 13 -0.006 3.425 3.534 1.00 0.00 N ATOM 182 CA TYR A 13 0.755 2.959 2.393 1.00 0.00 C ATOM 183 C TYR A 13 0.931 4.092 1.392 1.00 0.00 C ATOM 184 O TYR A 13 0.371 4.013 0.299 1.00 0.00 O ATOM 185 CB TYR A 13 0.034 1.777 1.751 1.00 0.00 C ATOM 186 CG TYR A 13 0.546 1.436 0.372 1.00 0.00 C ATOM 187 CD1 TYR A 13 1.789 0.808 0.222 1.00 0.00 C ATOM 188 CD2 TYR A 13 -0.222 1.746 -0.757 1.00 0.00 C ATOM 189 CE1 TYR A 13 2.263 0.491 -1.056 1.00 0.00 C ATOM 190 CE2 TYR A 13 0.253 1.429 -2.035 1.00 0.00 C ATOM 191 CZ TYR A 13 1.495 0.801 -2.185 1.00 0.00 C ATOM 192 OH TYR A 13 1.957 0.492 -3.430 1.00 0.00 O ATOM 0 H TYR A 13 -1.003 3.214 3.489 1.00 0.00 H new ATOM 0 HA TYR A 13 1.743 2.633 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.139 0.904 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.031 2.001 1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.382 0.568 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.181 2.230 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.222 0.007 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.339 1.669 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 13 1.257 0.671 -4.092 1.00 0.00 H new ATOM 202 N ASP A 14 1.691 5.109 1.773 1.00 0.00 N ATOM 203 CA ASP A 14 1.923 6.241 0.893 1.00 0.00 C ATOM 204 C ASP A 14 2.511 5.742 -0.429 1.00 0.00 C ATOM 205 O ASP A 14 3.645 5.273 -0.502 1.00 0.00 O ATOM 206 CB ASP A 14 2.918 7.225 1.512 1.00 0.00 C ATOM 207 CG ASP A 14 2.924 8.619 0.882 1.00 0.00 C ATOM 208 OD1 ASP A 14 1.940 9.043 0.258 1.00 0.00 O ATOM 209 OD2 ASP A 14 4.013 9.290 1.055 1.00 0.00 O ATOM 0 H ASP A 14 2.154 5.172 2.680 1.00 0.00 H new ATOM 0 HA ASP A 14 0.970 6.745 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.695 7.324 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.920 6.803 1.434 1.00 0.00 H new ATOM 214 N PRO A 15 1.703 5.856 -1.485 1.00 0.00 N ATOM 215 CA PRO A 15 2.054 5.450 -2.829 1.00 0.00 C ATOM 216 C PRO A 15 3.378 6.086 -3.225 1.00 0.00 C ATOM 217 O PRO A 15 4.037 5.574 -4.129 1.00 0.00 O ATOM 218 CB PRO A 15 0.915 5.966 -3.704 1.00 0.00 C ATOM 219 CG PRO A 15 -0.246 6.080 -2.796 1.00 0.00 C ATOM 220 CD PRO A 15 0.364 6.403 -1.434 1.00 0.00 C ATOM 0 HA PRO A 15 2.177 4.372 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.164 6.930 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.707 5.281 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.929 6.865 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.818 5.153 -2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.383 7.478 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.215 5.956 -0.626 1.00 0.00 H new ATOM 228 N ALA A 16 3.739 7.171 -2.556 1.00 0.00 N ATOM 229 CA ALA A 16 4.985 7.856 -2.856 1.00 0.00 C ATOM 230 C ALA A 16 6.153 7.068 -2.261 1.00 0.00 C ATOM 231 O ALA A 16 7.284 7.176 -2.732 1.00 0.00 O ATOM 232 CB ALA A 16 4.920 9.290 -2.327 1.00 0.00 C ATOM 0 H ALA A 16 3.190 7.593 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 16 5.141 7.912 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.855 9.804 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.093 9.816 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.766 9.273 -1.248 1.00 0.00 H new ATOM 238 N LYS A 17 5.838 6.291 -1.234 1.00 0.00 N ATOM 239 CA LYS A 17 6.848 5.484 -0.570 1.00 0.00 C ATOM 240 C LYS A 17 6.850 4.079 -1.174 1.00 0.00 C ATOM 241 O LYS A 17 7.812 3.330 -1.009 1.00 0.00 O ATOM 242 CB LYS A 17 6.635 5.502 0.946 1.00 0.00 C ATOM 243 CG LYS A 17 7.883 6.013 1.668 1.00 0.00 C ATOM 244 CD LYS A 17 7.506 6.796 2.927 1.00 0.00 C ATOM 245 CE LYS A 17 8.723 7.000 3.832 1.00 0.00 C ATOM 246 NZ LYS A 17 8.397 7.925 4.939 1.00 0.00 N ATOM 0 H LYS A 17 4.899 6.203 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 17 7.841 5.903 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.784 6.137 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.394 4.498 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.522 5.172 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.460 6.651 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.091 7.764 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.728 6.261 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.048 6.041 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.554 7.399 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.234 8.052 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.109 8.845 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.619 7.529 5.504 1.00 0.00 H new ATOM 257 N GLY A 18 5.762 3.763 -1.861 1.00 0.00 N ATOM 258 CA GLY A 18 5.626 2.460 -2.490 1.00 0.00 C ATOM 259 C GLY A 18 6.122 1.349 -1.563 1.00 0.00 C ATOM 260 O GLY A 18 5.698 1.261 -0.412 1.00 0.00 O ATOM 0 H GLY A 18 4.966 4.387 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.582 2.284 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.192 2.441 -3.421 1.00 0.00 H new ATOM 264 N ASP A 19 7.014 0.528 -2.099 1.00 0.00 N ATOM 265 CA ASP A 19 7.572 -0.574 -1.334 1.00 0.00 C ATOM 266 C ASP A 19 8.868 -1.044 -1.996 1.00 0.00 C ATOM 267 O ASP A 19 8.886 -1.954 -2.822 1.00 0.00 O ATOM 268 CB ASP A 19 6.605 -1.759 -1.290 1.00 0.00 C ATOM 269 CG ASP A 19 5.882 -1.956 0.043 1.00 0.00 C ATOM 270 OD1 ASP A 19 4.813 -1.250 0.193 1.00 0.00 O ATOM 271 OD2 ASP A 19 6.318 -2.744 0.896 1.00 0.00 O ATOM 0 H ASP A 19 7.364 0.604 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 19 7.756 -0.221 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.859 -1.629 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.158 -2.669 -1.524 1.00 0.00 H new ATOM 276 N PRO A 20 9.968 -0.394 -1.609 1.00 0.00 N ATOM 277 CA PRO A 20 11.298 -0.674 -2.104 1.00 0.00 C ATOM 278 C PRO A 20 11.836 -1.933 -1.438 1.00 0.00 C ATOM 279 O PRO A 20 12.911 -2.394 -1.819 1.00 0.00 O ATOM 280 CB PRO A 20 12.127 0.548 -1.715 1.00 0.00 C ATOM 281 CG PRO A 20 11.458 1.036 -0.468 1.00 0.00 C ATOM 282 CD PRO A 20 9.983 0.681 -0.640 1.00 0.00 C ATOM 0 HA PRO A 20 11.322 -0.848 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.170 0.286 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.119 1.306 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.878 0.558 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.593 2.110 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.540 0.367 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.409 1.538 -0.992 1.00 0.00 H new ATOM 290 N ASP A 21 11.095 -2.456 -0.472 1.00 0.00 N ATOM 291 CA ASP A 21 11.519 -3.656 0.230 1.00 0.00 C ATOM 292 C ASP A 21 10.520 -4.782 -0.046 1.00 0.00 C ATOM 293 O ASP A 21 9.873 -5.282 0.873 1.00 0.00 O ATOM 294 CB ASP A 21 11.563 -3.424 1.741 1.00 0.00 C ATOM 295 CG ASP A 21 12.889 -2.876 2.272 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.256 -1.722 2.007 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.568 -3.700 2.997 1.00 0.00 O ATOM 0 H ASP A 21 10.204 -2.071 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 21 12.516 -3.919 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.766 -2.730 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.349 -4.367 2.245 1.00 0.00 H new ATOM 302 N SER A 22 10.426 -5.149 -1.316 1.00 0.00 N ATOM 303 CA SER A 22 9.518 -6.206 -1.725 1.00 0.00 C ATOM 304 C SER A 22 9.510 -6.330 -3.250 1.00 0.00 C ATOM 305 O SER A 22 9.415 -7.433 -3.786 1.00 0.00 O ATOM 306 CB SER A 22 8.102 -5.947 -1.206 1.00 0.00 C ATOM 307 OG SER A 22 7.525 -7.112 -0.622 1.00 0.00 O ATOM 0 H SER A 22 10.965 -4.732 -2.075 1.00 0.00 H new ATOM 0 HA SER A 22 9.869 -7.143 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.128 -5.146 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.472 -5.603 -2.027 1.00 0.00 H new ATOM 0 HG SER A 22 6.622 -6.905 -0.302 1.00 0.00 H new ATOM 313 N GLY A 23 9.612 -5.183 -3.905 1.00 0.00 N ATOM 314 CA GLY A 23 9.619 -5.149 -5.358 1.00 0.00 C ATOM 315 C GLY A 23 8.644 -4.094 -5.885 1.00 0.00 C ATOM 316 O GLY A 23 7.906 -4.346 -6.837 1.00 0.00 O ATOM 0 H GLY A 23 9.690 -4.270 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.625 -4.931 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.347 -6.129 -5.750 1.00 0.00 H new ATOM 320 N ILE A 24 8.673 -2.935 -5.245 1.00 0.00 N ATOM 321 CA ILE A 24 7.801 -1.841 -5.638 1.00 0.00 C ATOM 322 C ILE A 24 8.612 -0.545 -5.698 1.00 0.00 C ATOM 323 O ILE A 24 9.514 -0.334 -4.888 1.00 0.00 O ATOM 324 CB ILE A 24 6.587 -1.764 -4.710 1.00 0.00 C ATOM 325 CG1 ILE A 24 6.023 -3.158 -4.428 1.00 0.00 C ATOM 326 CG2 ILE A 24 5.524 -0.820 -5.277 1.00 0.00 C ATOM 327 CD1 ILE A 24 5.291 -3.712 -5.651 1.00 0.00 C ATOM 0 H ILE A 24 9.287 -2.729 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 24 7.400 -2.013 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 24 6.912 -1.349 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.833 -3.832 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.339 -3.113 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.671 -0.783 -4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.945 0.179 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.197 -1.183 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.900 -4.704 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.467 -3.049 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.984 -3.779 -6.490 1.00 0.00 H new ATOM 339 N LYS A 25 8.262 0.290 -6.665 1.00 0.00 N ATOM 340 CA LYS A 25 8.946 1.560 -6.842 1.00 0.00 C ATOM 341 C LYS A 25 7.967 2.704 -6.571 1.00 0.00 C ATOM 342 O LYS A 25 6.776 2.626 -6.863 1.00 0.00 O ATOM 343 CB LYS A 25 9.604 1.627 -8.222 1.00 0.00 C ATOM 344 CG LYS A 25 11.128 1.548 -8.107 1.00 0.00 C ATOM 345 CD LYS A 25 11.765 1.249 -9.466 1.00 0.00 C ATOM 346 CE LYS A 25 11.536 2.403 -10.444 1.00 0.00 C ATOM 347 NZ LYS A 25 10.487 2.051 -11.426 1.00 0.00 N ATOM 0 H LYS A 25 7.513 0.112 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 25 9.759 1.658 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.240 0.808 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.321 2.555 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.516 2.489 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.403 0.771 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.835 1.080 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.343 0.331 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.243 3.299 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.465 2.636 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.345 2.846 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.781 1.209 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.597 1.851 -10.927 1.00 0.00 H new ATOM 358 N PRO A 26 8.505 3.783 -5.998 1.00 0.00 N ATOM 359 CA PRO A 26 7.765 4.979 -5.655 1.00 0.00 C ATOM 360 C PRO A 26 6.881 5.385 -6.825 1.00 0.00 C ATOM 361 O PRO A 26 7.367 5.415 -7.955 1.00 0.00 O ATOM 362 CB PRO A 26 8.834 6.036 -5.383 1.00 0.00 C ATOM 363 CG PRO A 26 10.015 5.272 -4.964 1.00 0.00 C ATOM 364 CD PRO A 26 9.902 3.908 -5.641 1.00 0.00 C ATOM 0 HA PRO A 26 7.110 4.841 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.041 6.628 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.515 6.731 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.933 5.779 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.046 5.167 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.541 3.850 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.211 3.107 -4.970 1.00 0.00 H new ATOM 372 N GLY A 27 5.621 5.683 -6.542 1.00 0.00 N ATOM 373 CA GLY A 27 4.693 6.081 -7.587 1.00 0.00 C ATOM 374 C GLY A 27 3.991 4.863 -8.189 1.00 0.00 C ATOM 375 O GLY A 27 3.933 4.716 -9.409 1.00 0.00 O ATOM 0 H GLY A 27 5.221 5.657 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.952 6.767 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.229 6.620 -8.369 1.00 0.00 H new ATOM 379 N THR A 28 3.474 4.021 -7.306 1.00 0.00 N ATOM 380 CA THR A 28 2.778 2.820 -7.736 1.00 0.00 C ATOM 381 C THR A 28 1.377 2.768 -7.122 1.00 0.00 C ATOM 382 O THR A 28 1.232 2.737 -5.901 1.00 0.00 O ATOM 383 CB THR A 28 3.646 1.615 -7.372 1.00 0.00 C ATOM 384 OG1 THR A 28 4.867 1.843 -8.070 1.00 0.00 O ATOM 385 CG2 THR A 28 3.115 0.309 -7.968 1.00 0.00 C ATOM 0 H THR A 28 3.523 4.147 -6.295 1.00 0.00 H new ATOM 0 HA THR A 28 2.626 2.815 -8.815 1.00 0.00 H new ATOM 0 HB THR A 28 3.702 1.523 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.623 1.658 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.768 -0.515 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.108 0.122 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.090 0.389 -9.055 1.00 0.00 H new ATOM 393 N LYS A 29 0.382 2.760 -7.997 1.00 0.00 N ATOM 394 CA LYS A 29 -1.001 2.711 -7.556 1.00 0.00 C ATOM 395 C LYS A 29 -1.241 1.413 -6.784 1.00 0.00 C ATOM 396 O LYS A 29 -0.600 0.398 -7.054 1.00 0.00 O ATOM 397 CB LYS A 29 -1.948 2.905 -8.742 1.00 0.00 C ATOM 398 CG LYS A 29 -2.148 4.391 -9.047 1.00 0.00 C ATOM 399 CD LYS A 29 -2.427 4.613 -10.535 1.00 0.00 C ATOM 400 CE LYS A 29 -3.774 5.310 -10.742 1.00 0.00 C ATOM 401 NZ LYS A 29 -4.858 4.312 -10.877 1.00 0.00 N ATOM 0 H LYS A 29 0.506 2.787 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.211 3.532 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.545 2.401 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.910 2.442 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.978 4.779 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.259 4.949 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.631 5.215 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.425 3.656 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.982 5.970 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.734 5.935 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.765 4.801 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.666 3.699 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.906 3.733 -10.014 1.00 0.00 H new ATOM 412 N PHE A 30 -2.166 1.486 -5.838 1.00 0.00 N ATOM 413 CA PHE A 30 -2.498 0.329 -5.024 1.00 0.00 C ATOM 414 C PHE A 30 -3.301 -0.695 -5.830 1.00 0.00 C ATOM 415 O PHE A 30 -3.547 -1.805 -5.360 1.00 0.00 O ATOM 416 CB PHE A 30 -3.356 0.831 -3.861 1.00 0.00 C ATOM 417 CG PHE A 30 -3.777 -0.265 -2.880 1.00 0.00 C ATOM 418 CD1 PHE A 30 -4.783 -1.120 -3.206 1.00 0.00 C ATOM 419 CD2 PHE A 30 -3.144 -0.384 -1.682 1.00 0.00 C ATOM 420 CE1 PHE A 30 -5.173 -2.137 -2.295 1.00 0.00 C ATOM 421 CE2 PHE A 30 -3.535 -1.401 -0.771 1.00 0.00 C ATOM 422 CZ PHE A 30 -4.541 -2.256 -1.097 1.00 0.00 C ATOM 0 H PHE A 30 -2.696 2.329 -5.617 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.586 -0.156 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.802 1.597 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.250 1.308 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.285 -1.026 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.344 0.295 -1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.972 -2.816 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.033 -1.495 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.838 -3.030 -0.404 1.00 0.00 H new ATOM 432 N GLU A 31 -3.687 -0.285 -7.029 1.00 0.00 N ATOM 433 CA GLU A 31 -4.457 -1.153 -7.904 1.00 0.00 C ATOM 434 C GLU A 31 -3.524 -1.926 -8.840 1.00 0.00 C ATOM 435 O GLU A 31 -3.949 -2.871 -9.503 1.00 0.00 O ATOM 436 CB GLU A 31 -5.491 -0.353 -8.698 1.00 0.00 C ATOM 437 CG GLU A 31 -6.858 -0.391 -8.013 1.00 0.00 C ATOM 438 CD GLU A 31 -7.982 -0.117 -9.015 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.907 -0.567 -10.168 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.959 0.590 -8.559 1.00 0.00 O ATOM 0 H GLU A 31 -3.481 0.636 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.998 -1.871 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.159 0.680 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.574 -0.759 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.009 -1.366 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.889 0.350 -7.214 1.00 0.00 H new ATOM 447 N ASP A 32 -2.272 -1.495 -8.863 1.00 0.00 N ATOM 448 CA ASP A 32 -1.276 -2.134 -9.706 1.00 0.00 C ATOM 449 C ASP A 32 -0.402 -3.052 -8.849 1.00 0.00 C ATOM 450 O ASP A 32 0.616 -3.561 -9.317 1.00 0.00 O ATOM 451 CB ASP A 32 -0.366 -1.097 -10.367 1.00 0.00 C ATOM 452 CG ASP A 32 -1.076 -0.117 -11.303 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.060 -0.617 -11.972 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.709 1.064 -11.389 1.00 0.00 O ATOM 0 H ASP A 32 -1.924 -0.711 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.800 -2.698 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.139 -0.529 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.406 -1.620 -10.931 1.00 0.00 H new ATOM 459 N LEU A 33 -0.830 -3.236 -7.609 1.00 0.00 N ATOM 460 CA LEU A 33 -0.100 -4.084 -6.682 1.00 0.00 C ATOM 461 C LEU A 33 -0.181 -5.537 -7.155 1.00 0.00 C ATOM 462 O LEU A 33 -1.188 -5.994 -7.691 1.00 0.00 O ATOM 463 CB LEU A 33 -0.602 -3.873 -5.253 1.00 0.00 C ATOM 464 CG LEU A 33 -0.292 -2.512 -4.627 1.00 0.00 C ATOM 465 CD1 LEU A 33 -1.125 -2.287 -3.363 1.00 0.00 C ATOM 466 CD2 LEU A 33 1.207 -2.360 -4.360 1.00 0.00 C ATOM 0 H LEU A 33 -1.674 -2.812 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 33 0.955 -3.812 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.682 -4.017 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.171 -4.649 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.573 -1.736 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.885 -1.312 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.185 -2.322 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.899 -3.066 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.400 -1.384 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.536 -3.142 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.754 -2.445 -5.299 1.00 0.00 H new ATOM 478 N PRO A 34 0.919 -6.263 -6.939 1.00 0.00 N ATOM 479 CA PRO A 34 1.061 -7.656 -7.303 1.00 0.00 C ATOM 480 C PRO A 34 -0.250 -8.386 -7.052 1.00 0.00 C ATOM 481 O PRO A 34 -0.911 -8.770 -8.016 1.00 0.00 O ATOM 482 CB PRO A 34 2.167 -8.187 -6.394 1.00 0.00 C ATOM 483 CG PRO A 34 2.992 -6.990 -6.079 1.00 0.00 C ATOM 484 CD PRO A 34 2.121 -5.758 -6.312 1.00 0.00 C ATOM 0 HA PRO A 34 1.306 -7.797 -8.356 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.757 -8.636 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.757 -8.956 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.339 -7.024 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.879 -6.958 -6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.894 -5.252 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.625 -5.033 -6.951 1.00 0.00 H new ATOM 492 N ASP A 35 -0.598 -8.562 -5.786 1.00 0.00 N ATOM 493 CA ASP A 35 -1.831 -9.248 -5.437 1.00 0.00 C ATOM 494 C ASP A 35 -1.684 -9.877 -4.050 1.00 0.00 C ATOM 495 O ASP A 35 -2.573 -9.748 -3.209 1.00 0.00 O ATOM 496 CB ASP A 35 -2.139 -10.367 -6.433 1.00 0.00 C ATOM 497 CG ASP A 35 -3.018 -11.495 -5.888 1.00 0.00 C ATOM 498 OD1 ASP A 35 -2.475 -12.210 -4.962 1.00 0.00 O ATOM 499 OD2 ASP A 35 -4.163 -11.681 -6.326 1.00 0.00 O ATOM 0 H ASP A 35 -0.048 -8.242 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.640 -8.518 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.630 -9.933 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.198 -10.795 -6.778 1.00 0.00 H new ATOM 504 N ASP A 36 -0.557 -10.545 -3.854 1.00 0.00 N ATOM 505 CA ASP A 36 -0.283 -11.194 -2.583 1.00 0.00 C ATOM 506 C ASP A 36 0.498 -10.235 -1.683 1.00 0.00 C ATOM 507 O ASP A 36 1.227 -10.668 -0.792 1.00 0.00 O ATOM 508 CB ASP A 36 0.564 -12.453 -2.780 1.00 0.00 C ATOM 509 CG ASP A 36 2.061 -12.202 -2.973 1.00 0.00 C ATOM 510 OD1 ASP A 36 2.487 -11.628 -3.986 1.00 0.00 O ATOM 511 OD2 ASP A 36 2.814 -12.628 -2.016 1.00 0.00 O ATOM 0 H ASP A 36 0.177 -10.651 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.237 -11.467 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.428 -13.103 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.187 -12.994 -3.648 1.00 0.00 H new ATOM 516 N TRP A 37 0.320 -8.949 -1.947 1.00 0.00 N ATOM 517 CA TRP A 37 0.998 -7.924 -1.172 1.00 0.00 C ATOM 518 C TRP A 37 0.409 -7.932 0.240 1.00 0.00 C ATOM 519 O TRP A 37 -0.688 -8.444 0.456 1.00 0.00 O ATOM 520 CB TRP A 37 0.894 -6.560 -1.856 1.00 0.00 C ATOM 521 CG TRP A 37 1.625 -5.436 -1.119 1.00 0.00 C ATOM 522 CD1 TRP A 37 2.922 -5.107 -1.195 1.00 0.00 C ATOM 523 CD2 TRP A 37 1.046 -4.501 -0.184 1.00 0.00 C ATOM 524 NE1 TRP A 37 3.220 -4.033 -0.382 1.00 0.00 N ATOM 525 CE2 TRP A 37 2.043 -3.653 0.253 1.00 0.00 C ATOM 526 CE3 TRP A 37 -0.276 -4.377 0.276 1.00 0.00 C ATOM 527 CZ2 TRP A 37 1.822 -2.620 1.172 1.00 0.00 C ATOM 528 CZ3 TRP A 37 -0.481 -3.340 1.195 1.00 0.00 C ATOM 529 CH2 TRP A 37 0.512 -2.477 1.645 1.00 0.00 C ATOM 0 H TRP A 37 -0.285 -8.593 -2.687 1.00 0.00 H new ATOM 0 HA TRP A 37 2.065 -8.134 -1.105 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.296 -6.640 -2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.158 -6.293 -1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.643 -5.619 -1.815 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.135 -3.598 -0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.071 -5.030 -0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.619 -1.969 1.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.480 -3.201 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.274 -1.700 2.356 1.00 0.00 H new ATOM 540 N ALA A 38 1.164 -7.357 1.165 1.00 0.00 N ATOM 541 CA ALA A 38 0.731 -7.292 2.550 1.00 0.00 C ATOM 542 C ALA A 38 1.408 -6.103 3.236 1.00 0.00 C ATOM 543 O ALA A 38 2.417 -5.594 2.751 1.00 0.00 O ATOM 544 CB ALA A 38 1.039 -8.619 3.245 1.00 0.00 C ATOM 0 H ALA A 38 2.073 -6.932 0.982 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.346 -7.137 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.714 -8.570 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.511 -9.427 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.112 -8.808 3.209 1.00 0.00 H new ATOM 550 N CYS A 39 0.824 -5.695 4.353 1.00 0.00 N ATOM 551 CA CYS A 39 1.358 -4.576 5.111 1.00 0.00 C ATOM 552 C CYS A 39 2.732 -4.975 5.654 1.00 0.00 C ATOM 553 O CYS A 39 2.870 -5.870 6.485 1.00 0.00 O ATOM 554 CB CYS A 39 0.407 -4.143 6.228 1.00 0.00 C ATOM 555 SG CYS A 39 0.981 -2.713 7.214 1.00 0.00 S ATOM 0 H CYS A 39 -0.014 -6.119 4.751 1.00 0.00 H new ATOM 0 HA CYS A 39 1.464 -3.710 4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.560 -3.898 5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.248 -4.988 6.898 1.00 0.00 H new ATOM 0 HG CYS A 39 0.490 -2.789 8.415 1.00 0.00 H new ATOM 560 N PRO A 40 3.758 -4.280 5.158 1.00 0.00 N ATOM 561 CA PRO A 40 5.141 -4.489 5.531 1.00 0.00 C ATOM 562 C PRO A 40 5.283 -4.382 7.043 1.00 0.00 C ATOM 563 O PRO A 40 6.330 -4.756 7.569 1.00 0.00 O ATOM 564 CB PRO A 40 5.909 -3.372 4.828 1.00 0.00 C ATOM 565 CG PRO A 40 5.057 -2.952 3.704 1.00 0.00 C ATOM 566 CD PRO A 40 3.632 -3.222 4.180 1.00 0.00 C ATOM 0 HA PRO A 40 5.514 -5.472 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.100 -2.541 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.878 -3.725 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.203 -1.898 3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.287 -3.516 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.187 -2.329 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.990 -3.524 3.352 1.00 0.00 H new ATOM 574 N VAL A 41 4.249 -3.881 7.703 1.00 0.00 N ATOM 575 CA VAL A 41 4.283 -3.734 9.148 1.00 0.00 C ATOM 576 C VAL A 41 3.850 -5.049 9.800 1.00 0.00 C ATOM 577 O VAL A 41 4.656 -5.726 10.436 1.00 0.00 O ATOM 578 CB VAL A 41 3.422 -2.543 9.574 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.519 -2.309 11.083 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.808 -1.283 8.797 1.00 0.00 C ATOM 0 H VAL A 41 3.382 -3.572 7.263 1.00 0.00 H new ATOM 0 HA VAL A 41 5.297 -3.521 9.487 1.00 0.00 H new ATOM 0 HB VAL A 41 2.384 -2.777 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.898 -1.457 11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.173 -3.197 11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.555 -2.106 11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.181 -0.451 9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.854 -1.044 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.664 -1.455 7.730 1.00 0.00 H new ATOM 590 N CYS A 42 2.577 -5.370 9.620 1.00 0.00 N ATOM 591 CA CYS A 42 2.027 -6.591 10.182 1.00 0.00 C ATOM 592 C CYS A 42 2.111 -7.690 9.121 1.00 0.00 C ATOM 593 O CYS A 42 2.558 -8.800 9.405 1.00 0.00 O ATOM 594 CB CYS A 42 0.595 -6.389 10.682 1.00 0.00 C ATOM 595 SG CYS A 42 -0.543 -5.633 9.465 1.00 0.00 S ATOM 0 H CYS A 42 1.911 -4.805 9.093 1.00 0.00 H new ATOM 0 HA CYS A 42 2.609 -6.886 11.055 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.191 -7.355 10.985 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.621 -5.761 11.573 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.950 -6.541 8.629 1.00 0.00 H new ATOM 600 N GLY A 43 1.673 -7.342 7.919 1.00 0.00 N ATOM 601 CA GLY A 43 1.693 -8.285 6.814 1.00 0.00 C ATOM 602 C GLY A 43 0.320 -8.931 6.620 1.00 0.00 C ATOM 603 O GLY A 43 0.218 -10.150 6.484 1.00 0.00 O ATOM 0 H GLY A 43 1.302 -6.420 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.990 -7.772 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.439 -9.057 7.004 1.00 0.00 H new ATOM 607 N ALA A 44 -0.701 -8.087 6.614 1.00 0.00 N ATOM 608 CA ALA A 44 -2.063 -8.561 6.439 1.00 0.00 C ATOM 609 C ALA A 44 -2.377 -8.656 4.944 1.00 0.00 C ATOM 610 O ALA A 44 -1.666 -8.084 4.119 1.00 0.00 O ATOM 611 CB ALA A 44 -3.026 -7.631 7.179 1.00 0.00 C ATOM 0 H ALA A 44 -0.612 -7.077 6.728 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.181 -9.558 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.048 -7.986 7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.779 -7.621 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.938 -6.622 6.777 1.00 0.00 H new ATOM 617 N SER A 45 -3.443 -9.383 4.641 1.00 0.00 N ATOM 618 CA SER A 45 -3.860 -9.560 3.261 1.00 0.00 C ATOM 619 C SER A 45 -4.117 -8.198 2.613 1.00 0.00 C ATOM 620 O SER A 45 -4.677 -7.303 3.243 1.00 0.00 O ATOM 621 CB SER A 45 -5.112 -10.435 3.172 1.00 0.00 C ATOM 622 OG SER A 45 -5.243 -11.051 1.894 1.00 0.00 O ATOM 0 H SER A 45 -4.030 -9.856 5.328 1.00 0.00 H new ATOM 0 HA SER A 45 -3.058 -10.065 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.072 -11.205 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.994 -9.827 3.374 1.00 0.00 H new ATOM 0 HG SER A 45 -6.053 -11.602 1.878 1.00 0.00 H new ATOM 628 N LYS A 46 -3.694 -8.085 1.362 1.00 0.00 N ATOM 629 CA LYS A 46 -3.872 -6.847 0.622 1.00 0.00 C ATOM 630 C LYS A 46 -5.333 -6.406 0.717 1.00 0.00 C ATOM 631 O LYS A 46 -5.645 -5.231 0.527 1.00 0.00 O ATOM 632 CB LYS A 46 -3.370 -7.006 -0.815 1.00 0.00 C ATOM 633 CG LYS A 46 -3.581 -5.719 -1.615 1.00 0.00 C ATOM 634 CD LYS A 46 -3.124 -5.893 -3.065 1.00 0.00 C ATOM 635 CE LYS A 46 -4.277 -6.374 -3.949 1.00 0.00 C ATOM 636 NZ LYS A 46 -4.657 -5.325 -4.920 1.00 0.00 N ATOM 0 H LYS A 46 -3.229 -8.830 0.843 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.270 -6.051 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.311 -7.264 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.896 -7.829 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.635 -5.442 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.027 -4.903 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.740 -4.946 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.304 -6.610 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.983 -7.280 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.135 -6.632 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.441 -5.667 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.957 -4.471 -4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.841 -5.098 -5.523 1.00 0.00 H new ATOM 647 N ASP A 47 -6.192 -7.371 1.012 1.00 0.00 N ATOM 648 CA ASP A 47 -7.613 -7.097 1.135 1.00 0.00 C ATOM 649 C ASP A 47 -7.915 -6.622 2.558 1.00 0.00 C ATOM 650 O ASP A 47 -8.859 -7.097 3.188 1.00 0.00 O ATOM 651 CB ASP A 47 -8.442 -8.355 0.871 1.00 0.00 C ATOM 652 CG ASP A 47 -9.801 -8.108 0.213 1.00 0.00 C ATOM 653 OD1 ASP A 47 -10.448 -7.077 0.451 1.00 0.00 O ATOM 654 OD2 ASP A 47 -10.199 -9.040 -0.585 1.00 0.00 O ATOM 0 H ASP A 47 -5.930 -8.344 1.169 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.873 -6.333 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.864 -9.026 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.602 -8.872 1.817 1.00 0.00 H new ATOM 659 N ALA A 48 -7.095 -5.692 3.024 1.00 0.00 N ATOM 660 CA ALA A 48 -7.263 -5.148 4.361 1.00 0.00 C ATOM 661 C ALA A 48 -7.273 -3.620 4.288 1.00 0.00 C ATOM 662 O ALA A 48 -8.108 -2.970 4.916 1.00 0.00 O ATOM 663 CB ALA A 48 -6.155 -5.680 5.271 1.00 0.00 C ATOM 0 H ALA A 48 -6.312 -5.301 2.500 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.215 -5.464 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.281 -5.272 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.209 -6.768 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.184 -5.380 4.876 1.00 0.00 H new ATOM 669 N PHE A 49 -6.336 -3.090 3.515 1.00 0.00 N ATOM 670 CA PHE A 49 -6.227 -1.650 3.352 1.00 0.00 C ATOM 671 C PHE A 49 -7.476 -1.079 2.678 1.00 0.00 C ATOM 672 O PHE A 49 -8.141 -1.770 1.907 1.00 0.00 O ATOM 673 CB PHE A 49 -5.015 -1.392 2.455 1.00 0.00 C ATOM 674 CG PHE A 49 -3.670 -1.563 3.163 1.00 0.00 C ATOM 675 CD1 PHE A 49 -3.104 -2.796 3.260 1.00 0.00 C ATOM 676 CD2 PHE A 49 -3.039 -0.482 3.696 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.855 -2.955 3.918 1.00 0.00 C ATOM 678 CE2 PHE A 49 -1.791 -0.641 4.353 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.225 -1.874 4.450 1.00 0.00 C ATOM 0 H PHE A 49 -5.646 -3.632 2.995 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.121 -1.172 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.055 -2.071 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.079 -0.379 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.604 -3.654 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.488 0.497 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.406 -3.934 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.291 0.217 4.776 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.275 -1.994 4.950 1.00 0.00 H new ATOM 689 N GLU A 50 -7.757 0.177 2.992 1.00 0.00 N ATOM 690 CA GLU A 50 -8.915 0.850 2.426 1.00 0.00 C ATOM 691 C GLU A 50 -8.592 2.320 2.150 1.00 0.00 C ATOM 692 O GLU A 50 -8.175 3.047 3.050 1.00 0.00 O ATOM 693 CB GLU A 50 -10.130 0.718 3.346 1.00 0.00 C ATOM 694 CG GLU A 50 -9.790 1.163 4.770 1.00 0.00 C ATOM 695 CD GLU A 50 -11.061 1.449 5.573 1.00 0.00 C ATOM 696 OE1 GLU A 50 -11.971 2.125 5.073 1.00 0.00 O ATOM 697 OE2 GLU A 50 -11.083 0.939 6.758 1.00 0.00 O ATOM 0 H GLU A 50 -7.203 0.747 3.631 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.164 0.369 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.951 1.321 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.472 -0.317 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.208 0.388 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.168 2.057 4.737 1.00 0.00 H new ATOM 704 N LYS A 51 -8.799 2.714 0.902 1.00 0.00 N ATOM 705 CA LYS A 51 -8.536 4.084 0.497 1.00 0.00 C ATOM 706 C LYS A 51 -9.076 5.039 1.563 1.00 0.00 C ATOM 707 O LYS A 51 -10.276 5.302 1.615 1.00 0.00 O ATOM 708 CB LYS A 51 -9.094 4.345 -0.903 1.00 0.00 C ATOM 709 CG LYS A 51 -8.522 5.637 -1.490 1.00 0.00 C ATOM 710 CD LYS A 51 -9.158 5.953 -2.845 1.00 0.00 C ATOM 711 CE LYS A 51 -9.979 7.242 -2.779 1.00 0.00 C ATOM 712 NZ LYS A 51 -11.188 7.045 -1.948 1.00 0.00 N ATOM 0 H LYS A 51 -9.146 2.108 0.158 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.463 4.261 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.853 3.507 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.181 4.412 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.698 6.463 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.442 5.542 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.380 6.052 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.798 5.126 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.372 8.046 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.268 7.548 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.734 7.930 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.774 6.292 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.906 6.775 -0.984 1.00 0.00 H new ATOM 723 N GLN A 52 -8.163 5.534 2.386 1.00 0.00 N ATOM 724 CA GLN A 52 -8.533 6.454 3.448 1.00 0.00 C ATOM 725 C GLN A 52 -9.867 6.038 4.070 1.00 0.00 C ATOM 726 O GLN A 52 -9.961 5.860 5.284 1.00 0.00 O ATOM 727 CB GLN A 52 -8.595 7.892 2.929 1.00 0.00 C ATOM 728 CG GLN A 52 -9.540 8.003 1.731 1.00 0.00 C ATOM 729 CD GLN A 52 -9.646 9.452 1.249 1.00 0.00 C ATOM 730 OE1 GLN A 52 -8.676 10.071 0.845 1.00 0.00 O ATOM 731 NE2 GLN A 52 -10.876 9.954 1.314 1.00 0.00 N ATOM 732 OXT GLN A 52 -10.835 5.892 3.293 1.00 0.00 O ATOM 0 H GLN A 52 -7.168 5.315 2.339 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.766 6.414 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.932 8.555 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.597 8.222 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.180 7.371 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.528 7.635 2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.643 9.380 1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.052 10.913 1.015 1.00 0.00 H new TER 741 GLN A 52