USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 hydrogens (4 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 3 CYS SG : rot -179:sc= -23.5! USER MOD Set 1.2: A 24 CYS SG : rot -76:sc= -27.3! USER MOD Set 1.3: A 28 CYS SG : rot -113:sc= -21.3! USER MOD Set 1.4: A 36 CYS SG : rot -156:sc= -21.6! USER MOD Set 2.1: A 9 THR OG1 : rot -94:sc= 1.29 USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 13 THR OG1 : rot -160:sc= -1.22 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -5.94 K(o=-5.9,f=-10!) USER MOD ----------------------------------------------------------------- HETATM 1 C 4LT A 1 2.177 0.440 -7.217 1.00 63.13 C HETATM 2 O 4LT A 1 3.188 -0.188 -7.529 1.00 43.32 O HETATM 3 CA 4LT A 1 2.316 1.935 -7.066 1.00 62.12 C HETATM 4 CB 4LT A 1 2.734 2.266 -5.640 1.00 21.24 C HETATM 5 F 4LT A 1 3.283 2.403 -7.953 1.00 35.14 F ATOM 10 N GLY A 2 0.999 -0.142 -7.015 1.00 13.53 N ATOM 11 CA GLY A 2 0.846 -1.578 -7.155 1.00 43.13 C ATOM 12 C GLY A 2 -0.605 -1.998 -7.273 1.00 74.02 C ATOM 13 O GLY A 2 -1.135 -2.127 -8.378 1.00 4.44 O ATOM 0 H GLY A 2 0.147 0.356 -6.757 1.00 13.53 H new ATOM 0 HA2 GLY A 2 1.391 -1.914 -8.037 1.00 43.13 H new ATOM 0 HA3 GLY A 2 1.296 -2.074 -6.295 1.00 43.13 H new ATOM 17 N CYS A 3 -1.252 -2.214 -6.132 1.00 64.45 N ATOM 18 CA CYS A 3 -2.650 -2.625 -6.111 1.00 53.13 C ATOM 19 C CYS A 3 -3.355 -2.093 -4.867 1.00 3.53 C ATOM 20 O CYS A 3 -2.721 -1.846 -3.840 1.00 62.11 O ATOM 21 CB CYS A 3 -2.757 -4.150 -6.158 1.00 24.43 C ATOM 22 SG CYS A 3 -2.941 -4.832 -7.837 1.00 35.11 S ATOM 0 H CYS A 3 -0.829 -2.111 -5.209 1.00 64.45 H new ATOM 0 HA CYS A 3 -3.138 -2.206 -6.991 1.00 53.13 H new ATOM 0 HB2 CYS A 3 -1.867 -4.580 -5.698 1.00 24.43 H new ATOM 0 HB3 CYS A 3 -3.610 -4.462 -5.555 1.00 24.43 H new ATOM 0 HG CYS A 3 -3.035 -6.127 -7.771 1.00 35.11 H new ATOM 27 N ILE A 4 -4.668 -1.918 -4.966 1.00 71.20 N ATOM 28 CA ILE A 4 -5.458 -1.417 -3.849 1.00 14.25 C ATOM 29 C ILE A 4 -6.907 -1.179 -4.262 1.00 63.23 C ATOM 30 O ILE A 4 -7.260 -0.097 -4.732 1.00 12.32 O ATOM 31 CB ILE A 4 -4.874 -0.106 -3.289 1.00 74.13 C ATOM 32 CG1 ILE A 4 -5.825 0.501 -2.255 1.00 64.20 C ATOM 33 CG2 ILE A 4 -4.611 0.880 -4.417 1.00 41.14 C ATOM 34 CD1 ILE A 4 -6.198 -0.455 -1.144 1.00 35.12 C ATOM 0 H ILE A 4 -5.207 -2.116 -5.809 1.00 71.20 H new ATOM 0 HA ILE A 4 -5.425 -2.181 -3.072 1.00 14.25 H new ATOM 0 HB ILE A 4 -3.927 -0.328 -2.798 1.00 74.13 H new ATOM 0 HG12 ILE A 4 -5.360 1.386 -1.821 1.00 64.20 H new ATOM 0 HG13 ILE A 4 -6.733 0.832 -2.759 1.00 64.20 H new ATOM 0 HG21 ILE A 4 -4.199 1.801 -4.006 1.00 41.14 H new ATOM 0 HG22 ILE A 4 -3.900 0.447 -5.121 1.00 41.14 H new ATOM 0 HG23 ILE A 4 -5.545 1.099 -4.934 1.00 41.14 H new ATOM 0 HD11 ILE A 4 -6.874 0.042 -0.448 1.00 35.12 H new ATOM 0 HD12 ILE A 4 -6.692 -1.330 -1.567 1.00 35.12 H new ATOM 0 HD13 ILE A 4 -5.298 -0.767 -0.615 1.00 35.12 H new ATOM 46 N LEU A 5 -7.742 -2.197 -4.084 1.00 4.13 N ATOM 47 CA LEU A 5 -9.154 -2.099 -4.437 1.00 3.13 C ATOM 48 C LEU A 5 -9.889 -3.394 -4.107 1.00 25.31 C ATOM 49 O LEU A 5 -10.260 -4.153 -5.001 1.00 33.21 O ATOM 50 CB LEU A 5 -9.307 -1.777 -5.924 1.00 42.22 C ATOM 51 CG LEU A 5 -10.481 -0.872 -6.298 1.00 12.44 C ATOM 52 CD1 LEU A 5 -10.357 -0.404 -7.739 1.00 52.23 C ATOM 53 CD2 LEU A 5 -11.802 -1.595 -6.082 1.00 32.55 C ATOM 0 H LEU A 5 -7.466 -3.100 -3.697 1.00 4.13 H new ATOM 0 HA LEU A 5 -9.595 -1.293 -3.850 1.00 3.13 H new ATOM 0 HB2 LEU A 5 -8.387 -1.306 -6.270 1.00 42.22 H new ATOM 0 HB3 LEU A 5 -9.409 -2.715 -6.470 1.00 42.22 H new ATOM 0 HG LEU A 5 -10.459 0.004 -5.650 1.00 12.44 H new ATOM 0 HD11 LEU A 5 -11.202 0.239 -7.987 1.00 52.23 H new ATOM 0 HD12 LEU A 5 -9.428 0.153 -7.862 1.00 52.23 H new ATOM 0 HD13 LEU A 5 -10.352 -1.268 -8.403 1.00 52.23 H new ATOM 0 HD21 LEU A 5 -12.626 -0.936 -6.353 1.00 32.55 H new ATOM 0 HD22 LEU A 5 -11.833 -2.490 -6.704 1.00 32.55 H new ATOM 0 HD23 LEU A 5 -11.894 -1.879 -5.034 1.00 32.55 H new ATOM 65 N ASN A 6 -10.096 -3.639 -2.817 1.00 71.02 N ATOM 66 CA ASN A 6 -10.788 -4.842 -2.369 1.00 53.02 C ATOM 67 C ASN A 6 -9.896 -6.071 -2.519 1.00 11.54 C ATOM 68 O ASN A 6 -10.210 -6.990 -3.273 1.00 25.30 O ATOM 69 CB ASN A 6 -12.081 -5.037 -3.164 1.00 33.24 C ATOM 70 CG ASN A 6 -13.126 -5.814 -2.386 1.00 12.43 C ATOM 71 OD1 ASN A 6 -12.838 -6.868 -1.819 1.00 70.14 O ATOM 72 ND2 ASN A 6 -14.348 -5.294 -2.355 1.00 61.12 N ATOM 0 H ASN A 6 -9.794 -3.021 -2.064 1.00 71.02 H new ATOM 0 HA ASN A 6 -11.032 -4.719 -1.314 1.00 53.02 H new ATOM 0 HB2 ASN A 6 -12.486 -4.063 -3.439 1.00 33.24 H new ATOM 0 HB3 ASN A 6 -11.858 -5.563 -4.092 1.00 33.24 H new ATOM 0 HD21 ASN A 6 -15.093 -5.771 -1.847 1.00 61.12 H new ATOM 0 HD22 ASN A 6 -14.542 -4.418 -2.840 1.00 61.12 H new ATOM 79 N GLY A 7 -8.782 -6.078 -1.793 1.00 20.02 N ATOM 80 CA GLY A 7 -7.862 -7.198 -1.858 1.00 64.22 C ATOM 81 C GLY A 7 -6.471 -6.835 -1.377 1.00 0.23 C ATOM 82 O GLY A 7 -6.044 -5.687 -1.502 1.00 23.02 O ATOM 0 H GLY A 7 -8.501 -5.328 -1.161 1.00 20.02 H new ATOM 0 HA2 GLY A 7 -8.250 -8.018 -1.253 1.00 64.22 H new ATOM 0 HA3 GLY A 7 -7.805 -7.558 -2.885 1.00 64.22 H new ATOM 86 N ARG A 8 -5.763 -7.814 -0.823 1.00 75.20 N ATOM 87 CA ARG A 8 -4.414 -7.591 -0.318 1.00 51.32 C ATOM 88 C ARG A 8 -3.372 -8.099 -1.310 1.00 24.34 C ATOM 89 O ARG A 8 -3.113 -9.300 -1.394 1.00 63.34 O ATOM 90 CB ARG A 8 -4.230 -8.285 1.032 1.00 35.24 C ATOM 91 CG ARG A 8 -5.360 -8.017 2.014 1.00 61.23 C ATOM 92 CD ARG A 8 -4.844 -7.387 3.298 1.00 53.32 C ATOM 93 NE ARG A 8 -5.701 -7.693 4.440 1.00 24.44 N ATOM 94 CZ ARG A 8 -5.541 -7.155 5.644 1.00 24.02 C ATOM 95 NH1 ARG A 8 -4.562 -6.287 5.861 1.00 31.01 N ATOM 96 NH2 ARG A 8 -6.361 -7.484 6.634 1.00 62.31 N ATOM 0 H ARG A 8 -6.102 -8.770 -0.713 1.00 75.20 H new ATOM 0 HA ARG A 8 -4.274 -6.518 -0.188 1.00 51.32 H new ATOM 0 HB2 ARG A 8 -4.148 -9.360 0.870 1.00 35.24 H new ATOM 0 HB3 ARG A 8 -3.290 -7.956 1.475 1.00 35.24 H new ATOM 0 HG2 ARG A 8 -6.095 -7.357 1.553 1.00 61.23 H new ATOM 0 HG3 ARG A 8 -5.871 -8.951 2.246 1.00 61.23 H new ATOM 0 HD2 ARG A 8 -3.834 -7.745 3.497 1.00 53.32 H new ATOM 0 HD3 ARG A 8 -4.781 -6.306 3.172 1.00 53.32 H new ATOM 0 HE ARG A 8 -6.464 -8.356 4.306 1.00 24.44 H new ATOM 0 HH11 ARG A 8 -3.930 -6.031 5.103 1.00 31.01 H new ATOM 0 HH12 ARG A 8 -4.441 -5.875 6.786 1.00 31.01 H new ATOM 0 HH21 ARG A 8 -7.115 -8.151 6.471 1.00 62.31 H new ATOM 0 HH22 ARG A 8 -6.237 -7.070 7.558 1.00 62.31 H new ATOM 110 N THR A 9 -2.776 -7.177 -2.059 1.00 42.03 N ATOM 111 CA THR A 9 -1.763 -7.531 -3.046 1.00 32.22 C ATOM 112 C THR A 9 -0.675 -8.403 -2.429 1.00 13.54 C ATOM 113 O THR A 9 -0.170 -8.107 -1.346 1.00 0.15 O ATOM 114 CB THR A 9 -1.114 -6.277 -3.660 1.00 3.45 C ATOM 115 OG1 THR A 9 -0.251 -6.650 -4.740 1.00 20.14 O ATOM 116 CG2 THR A 9 -0.320 -5.510 -2.612 1.00 33.42 C ATOM 0 H THR A 9 -2.977 -6.179 -2.001 1.00 42.03 H new ATOM 0 HA THR A 9 -2.270 -8.090 -3.832 1.00 32.22 H new ATOM 0 HB THR A 9 -1.908 -5.632 -4.036 1.00 3.45 H new ATOM 0 HG1 THR A 9 0.667 -6.741 -4.409 1.00 20.14 H new ATOM 0 HG21 THR A 9 0.129 -4.628 -3.069 1.00 33.42 H new ATOM 0 HG22 THR A 9 -0.985 -5.202 -1.805 1.00 33.42 H new ATOM 0 HG23 THR A 9 0.465 -6.150 -2.210 1.00 33.42 H new ATOM 124 N ASP A 10 -0.319 -9.477 -3.124 1.00 44.41 N ATOM 125 CA ASP A 10 0.712 -10.391 -2.645 1.00 13.53 C ATOM 126 C ASP A 10 0.631 -10.554 -1.130 1.00 41.11 C ATOM 127 O ASP A 10 1.430 -9.978 -0.389 1.00 75.35 O ATOM 128 CB ASP A 10 2.099 -9.883 -3.042 1.00 73.23 C ATOM 129 CG ASP A 10 2.301 -8.421 -2.697 1.00 23.00 C ATOM 130 OD1 ASP A 10 1.926 -7.560 -3.520 1.00 24.02 O ATOM 131 OD2 ASP A 10 2.836 -8.138 -1.604 1.00 53.32 O ATOM 0 H ASP A 10 -0.729 -9.737 -4.021 1.00 44.41 H new ATOM 0 HA ASP A 10 0.544 -11.364 -3.107 1.00 13.53 H new ATOM 0 HB2 ASP A 10 2.859 -10.480 -2.539 1.00 73.23 H new ATOM 0 HB3 ASP A 10 2.241 -10.023 -4.114 1.00 73.23 H new ATOM 136 N LEU A 11 -0.338 -11.341 -0.676 1.00 1.21 N ATOM 137 CA LEU A 11 -0.524 -11.580 0.751 1.00 10.42 C ATOM 138 C LEU A 11 -0.692 -13.068 1.037 1.00 75.42 C ATOM 139 O LEU A 11 0.226 -13.725 1.524 1.00 24.24 O ATOM 140 CB LEU A 11 -1.743 -10.809 1.262 1.00 22.45 C ATOM 141 CG LEU A 11 -1.453 -9.656 2.224 1.00 52.15 C ATOM 142 CD1 LEU A 11 -0.607 -10.135 3.393 1.00 44.14 C ATOM 143 CD2 LEU A 11 -0.761 -8.515 1.493 1.00 5.54 C ATOM 0 H LEU A 11 -1.007 -11.824 -1.275 1.00 1.21 H new ATOM 0 HA LEU A 11 0.366 -11.228 1.273 1.00 10.42 H new ATOM 0 HB2 LEU A 11 -2.283 -10.412 0.403 1.00 22.45 H new ATOM 0 HB3 LEU A 11 -2.410 -11.512 1.760 1.00 22.45 H new ATOM 0 HG LEU A 11 -2.401 -9.288 2.617 1.00 52.15 H new ATOM 0 HD11 LEU A 11 -0.411 -9.301 4.066 1.00 44.14 H new ATOM 0 HD12 LEU A 11 -1.141 -10.918 3.931 1.00 44.14 H new ATOM 0 HD13 LEU A 11 0.338 -10.530 3.020 1.00 44.14 H new ATOM 0 HD21 LEU A 11 -0.562 -7.703 2.192 1.00 5.54 H new ATOM 0 HD22 LEU A 11 0.180 -8.870 1.072 1.00 5.54 H new ATOM 0 HD23 LEU A 11 -1.404 -8.154 0.691 1.00 5.54 H new ATOM 155 N GLY A 12 -1.873 -13.595 0.727 1.00 34.45 N ATOM 156 CA GLY A 12 -2.140 -15.003 0.956 1.00 72.50 C ATOM 157 C GLY A 12 -1.803 -15.860 -0.248 1.00 24.30 C ATOM 158 O GLY A 12 -0.693 -15.792 -0.778 1.00 10.52 O ATOM 0 H GLY A 12 -2.649 -13.072 0.322 1.00 34.45 H new ATOM 0 HA2 GLY A 12 -1.562 -15.344 1.815 1.00 72.50 H new ATOM 0 HA3 GLY A 12 -3.192 -15.134 1.208 1.00 72.50 H new ATOM 162 N THR A 13 -2.761 -16.673 -0.682 1.00 14.21 N ATOM 163 CA THR A 13 -2.560 -17.549 -1.829 1.00 23.02 C ATOM 164 C THR A 13 -2.242 -16.746 -3.085 1.00 22.10 C ATOM 165 O THR A 13 -1.542 -17.224 -3.979 1.00 4.52 O ATOM 166 CB THR A 13 -3.800 -18.424 -2.093 1.00 1.35 C ATOM 167 OG1 THR A 13 -4.872 -17.616 -2.590 1.00 14.20 O ATOM 168 CG2 THR A 13 -4.241 -19.135 -0.822 1.00 2.40 C ATOM 0 H THR A 13 -3.685 -16.743 -0.256 1.00 14.21 H new ATOM 0 HA THR A 13 -1.714 -18.194 -1.589 1.00 23.02 H new ATOM 0 HB THR A 13 -3.536 -19.175 -2.838 1.00 1.35 H new ATOM 0 HG1 THR A 13 -5.723 -18.084 -2.458 1.00 14.20 H new ATOM 0 HG21 THR A 13 -5.118 -19.747 -1.033 1.00 2.40 H new ATOM 0 HG22 THR A 13 -3.433 -19.771 -0.462 1.00 2.40 H new ATOM 0 HG23 THR A 13 -4.489 -18.397 -0.059 1.00 2.40 H new ATOM 176 N LEU A 14 -2.759 -15.524 -3.147 1.00 74.31 N ATOM 177 CA LEU A 14 -2.530 -14.653 -4.295 1.00 23.52 C ATOM 178 C LEU A 14 -1.051 -14.302 -4.424 1.00 52.51 C ATOM 179 O LEU A 14 -0.606 -13.817 -5.466 1.00 21.54 O ATOM 180 CB LEU A 14 -3.360 -13.376 -4.165 1.00 14.43 C ATOM 181 CG LEU A 14 -3.201 -12.354 -5.291 1.00 5.43 C ATOM 182 CD1 LEU A 14 -2.030 -11.425 -5.006 1.00 55.33 C ATOM 183 CD2 LEU A 14 -3.013 -13.057 -6.627 1.00 23.21 C ATOM 0 H LEU A 14 -3.340 -15.114 -2.416 1.00 74.31 H new ATOM 0 HA LEU A 14 -2.838 -15.188 -5.194 1.00 23.52 H new ATOM 0 HB2 LEU A 14 -4.412 -13.655 -4.101 1.00 14.43 H new ATOM 0 HB3 LEU A 14 -3.101 -12.892 -3.223 1.00 14.43 H new ATOM 0 HG LEU A 14 -4.110 -11.755 -5.344 1.00 5.43 H new ATOM 0 HD11 LEU A 14 -1.932 -10.704 -5.818 1.00 55.33 H new ATOM 0 HD12 LEU A 14 -2.205 -10.895 -4.070 1.00 55.33 H new ATOM 0 HD13 LEU A 14 -1.113 -12.009 -4.926 1.00 55.33 H new ATOM 0 HD21 LEU A 14 -2.902 -12.314 -7.417 1.00 23.21 H new ATOM 0 HD22 LEU A 14 -2.120 -13.681 -6.587 1.00 23.21 H new ATOM 0 HD23 LEU A 14 -3.882 -13.680 -6.836 1.00 23.21 H new ATOM 195 N LEU A 15 -0.294 -14.549 -3.361 1.00 34.51 N ATOM 196 CA LEU A 15 1.136 -14.261 -3.356 1.00 33.13 C ATOM 197 C LEU A 15 1.782 -14.688 -4.669 1.00 61.35 C ATOM 198 O LEU A 15 2.732 -14.061 -5.139 1.00 53.12 O ATOM 199 CB LEU A 15 1.815 -14.973 -2.185 1.00 2.25 C ATOM 200 CG LEU A 15 1.973 -14.155 -0.902 1.00 41.34 C ATOM 201 CD1 LEU A 15 2.456 -15.037 0.238 1.00 61.50 C ATOM 202 CD2 LEU A 15 2.933 -12.995 -1.125 1.00 12.24 C ATOM 0 H LEU A 15 -0.647 -14.948 -2.491 1.00 34.51 H new ATOM 0 HA LEU A 15 1.264 -13.185 -3.243 1.00 33.13 H new ATOM 0 HB2 LEU A 15 1.243 -15.871 -1.951 1.00 2.25 H new ATOM 0 HB3 LEU A 15 2.804 -15.299 -2.508 1.00 2.25 H new ATOM 0 HG LEU A 15 0.999 -13.748 -0.631 1.00 41.34 H new ATOM 0 HD11 LEU A 15 2.562 -14.437 1.142 1.00 61.50 H new ATOM 0 HD12 LEU A 15 1.733 -15.833 0.414 1.00 61.50 H new ATOM 0 HD13 LEU A 15 3.420 -15.474 -0.023 1.00 61.50 H new ATOM 0 HD21 LEU A 15 3.034 -12.424 -0.202 1.00 12.24 H new ATOM 0 HD22 LEU A 15 3.908 -13.382 -1.421 1.00 12.24 H new ATOM 0 HD23 LEU A 15 2.545 -12.348 -1.912 1.00 12.24 H new ATOM 214 N PHE A 16 1.260 -15.759 -5.259 1.00 41.32 N ATOM 215 CA PHE A 16 1.785 -16.269 -6.520 1.00 64.41 C ATOM 216 C PHE A 16 0.775 -17.191 -7.197 1.00 11.11 C ATOM 217 O PHE A 16 -0.316 -17.422 -6.676 1.00 73.20 O ATOM 218 CB PHE A 16 3.098 -17.019 -6.284 1.00 20.33 C ATOM 219 CG PHE A 16 4.260 -16.115 -5.986 1.00 33.13 C ATOM 220 CD1 PHE A 16 4.692 -15.189 -6.922 1.00 20.42 C ATOM 221 CD2 PHE A 16 4.919 -16.190 -4.769 1.00 61.35 C ATOM 222 CE1 PHE A 16 5.761 -14.357 -6.650 1.00 42.23 C ATOM 223 CE2 PHE A 16 5.989 -15.360 -4.492 1.00 53.12 C ATOM 224 CZ PHE A 16 6.410 -14.441 -5.434 1.00 34.34 C ATOM 0 H PHE A 16 0.474 -16.290 -4.884 1.00 41.32 H new ATOM 0 HA PHE A 16 1.972 -15.419 -7.177 1.00 64.41 H new ATOM 0 HB2 PHE A 16 2.966 -17.714 -5.454 1.00 20.33 H new ATOM 0 HB3 PHE A 16 3.330 -17.616 -7.166 1.00 20.33 H new ATOM 0 HD1 PHE A 16 4.188 -15.117 -7.874 1.00 20.42 H new ATOM 0 HD2 PHE A 16 4.593 -16.905 -4.029 1.00 61.35 H new ATOM 0 HE1 PHE A 16 6.089 -13.641 -7.389 1.00 42.23 H new ATOM 0 HE2 PHE A 16 6.495 -15.430 -3.541 1.00 53.12 H new ATOM 0 HZ PHE A 16 7.245 -13.790 -5.220 1.00 34.34 H new ATOM 234 N ARG A 17 1.147 -17.713 -8.361 1.00 74.30 N ATOM 235 CA ARG A 17 0.273 -18.608 -9.111 1.00 10.13 C ATOM 236 C ARG A 17 -1.143 -18.046 -9.188 1.00 54.32 C ATOM 237 O ARG A 17 -2.113 -18.793 -9.319 1.00 33.11 O ATOM 238 CB ARG A 17 0.249 -19.993 -8.462 1.00 75.22 C ATOM 239 CG ARG A 17 -0.495 -21.036 -9.281 1.00 64.01 C ATOM 240 CD ARG A 17 -1.610 -21.685 -8.476 1.00 62.14 C ATOM 241 NE ARG A 17 -1.742 -23.109 -8.773 1.00 44.03 N ATOM 242 CZ ARG A 17 -2.656 -23.895 -8.215 1.00 4.42 C ATOM 243 NH1 ARG A 17 -3.514 -23.397 -7.335 1.00 71.13 N ATOM 244 NH2 ARG A 17 -2.713 -25.181 -8.536 1.00 44.33 N ATOM 0 H ARG A 17 2.047 -17.532 -8.805 1.00 74.30 H new ATOM 0 HA ARG A 17 0.666 -18.695 -10.124 1.00 10.13 H new ATOM 0 HB2 ARG A 17 1.274 -20.329 -8.305 1.00 75.22 H new ATOM 0 HB3 ARG A 17 -0.215 -19.916 -7.479 1.00 75.22 H new ATOM 0 HG2 ARG A 17 -0.913 -20.569 -10.173 1.00 64.01 H new ATOM 0 HG3 ARG A 17 0.204 -21.801 -9.619 1.00 64.01 H new ATOM 0 HD2 ARG A 17 -1.413 -21.553 -7.412 1.00 62.14 H new ATOM 0 HD3 ARG A 17 -2.552 -21.181 -8.690 1.00 62.14 H new ATOM 0 HE ARG A 17 -1.097 -23.523 -9.446 1.00 44.03 H new ATOM 0 HH11 ARG A 17 -3.473 -22.409 -7.086 1.00 71.13 H new ATOM 0 HH12 ARG A 17 -4.215 -24.002 -6.908 1.00 71.13 H new ATOM 0 HH21 ARG A 17 -2.054 -25.568 -9.212 1.00 44.33 H new ATOM 0 HH22 ARG A 17 -3.415 -25.783 -8.107 1.00 44.33 H new ATOM 258 N CYS A 18 -1.255 -16.724 -9.106 1.00 72.22 N ATOM 259 CA CYS A 18 -2.552 -16.061 -9.166 1.00 0.31 C ATOM 260 C CYS A 18 -3.647 -17.042 -9.575 1.00 23.01 C ATOM 261 O CYS A 18 -3.735 -17.440 -10.736 1.00 72.35 O ATOM 262 CB CYS A 18 -2.505 -14.892 -10.152 1.00 13.32 C ATOM 263 SG CYS A 18 -1.832 -15.325 -11.788 1.00 21.40 S ATOM 0 H CYS A 18 -0.463 -16.091 -8.998 1.00 72.22 H new ATOM 0 HA CYS A 18 -2.784 -15.680 -8.171 1.00 0.31 H new ATOM 0 HB2 CYS A 18 -3.513 -14.497 -10.279 1.00 13.32 H new ATOM 0 HB3 CYS A 18 -1.901 -14.093 -9.723 1.00 13.32 H new ATOM 268 N ARG A 19 -4.478 -17.427 -8.612 1.00 72.24 N ATOM 269 CA ARG A 19 -5.566 -18.362 -8.872 1.00 34.14 C ATOM 270 C ARG A 19 -6.539 -17.793 -9.901 1.00 4.13 C ATOM 271 O ARG A 19 -7.353 -18.521 -10.469 1.00 13.35 O ATOM 272 CB ARG A 19 -6.311 -18.684 -7.574 1.00 44.14 C ATOM 273 CG ARG A 19 -6.318 -17.538 -6.576 1.00 53.32 C ATOM 274 CD ARG A 19 -5.259 -17.727 -5.502 1.00 63.31 C ATOM 275 NE ARG A 19 -5.343 -19.045 -4.877 1.00 45.41 N ATOM 276 CZ ARG A 19 -4.474 -20.023 -5.106 1.00 20.20 C ATOM 277 NH1 ARG A 19 -3.461 -19.834 -5.941 1.00 13.44 N ATOM 278 NH2 ARG A 19 -4.617 -21.194 -4.499 1.00 71.40 N ATOM 0 H ARG A 19 -4.419 -17.106 -7.646 1.00 72.24 H new ATOM 0 HA ARG A 19 -5.135 -19.279 -9.274 1.00 34.14 H new ATOM 0 HB2 ARG A 19 -7.340 -18.953 -7.813 1.00 44.14 H new ATOM 0 HB3 ARG A 19 -5.853 -19.557 -7.109 1.00 44.14 H new ATOM 0 HG2 ARG A 19 -6.143 -16.598 -7.099 1.00 53.32 H new ATOM 0 HG3 ARG A 19 -7.301 -17.466 -6.110 1.00 53.32 H new ATOM 0 HD2 ARG A 19 -4.270 -17.596 -5.941 1.00 63.31 H new ATOM 0 HD3 ARG A 19 -5.374 -16.956 -4.740 1.00 63.31 H new ATOM 0 HE ARG A 19 -6.111 -19.224 -4.230 1.00 45.41 H new ATOM 0 HH11 ARG A 19 -3.347 -18.935 -6.410 1.00 13.44 H new ATOM 0 HH12 ARG A 19 -2.796 -20.587 -6.114 1.00 13.44 H new ATOM 0 HH21 ARG A 19 -5.395 -21.344 -3.856 1.00 71.40 H new ATOM 0 HH22 ARG A 19 -3.949 -21.945 -4.675 1.00 71.40 H new ATOM 292 N ARG A 20 -6.447 -16.488 -10.135 1.00 51.01 N ATOM 293 CA ARG A 20 -7.320 -15.821 -11.094 1.00 65.01 C ATOM 294 C ARG A 20 -7.262 -14.306 -10.920 1.00 24.23 C ATOM 295 O ARG A 20 -7.103 -13.805 -9.806 1.00 61.14 O ATOM 296 CB ARG A 20 -8.760 -16.309 -10.931 1.00 31.22 C ATOM 297 CG ARG A 20 -9.762 -15.544 -11.779 1.00 15.41 C ATOM 298 CD ARG A 20 -10.745 -16.482 -12.463 1.00 45.52 C ATOM 299 NE ARG A 20 -12.086 -15.908 -12.541 1.00 25.33 N ATOM 300 CZ ARG A 20 -12.412 -14.908 -13.352 1.00 65.30 C ATOM 301 NH1 ARG A 20 -11.498 -14.374 -14.151 1.00 74.13 N ATOM 302 NH2 ARG A 20 -13.653 -14.441 -13.365 1.00 74.04 N ATOM 0 H ARG A 20 -5.777 -15.872 -9.674 1.00 51.01 H new ATOM 0 HA ARG A 20 -6.972 -16.068 -12.097 1.00 65.01 H new ATOM 0 HB2 ARG A 20 -8.808 -17.366 -11.192 1.00 31.22 H new ATOM 0 HB3 ARG A 20 -9.046 -16.226 -9.882 1.00 31.22 H new ATOM 0 HG2 ARG A 20 -10.307 -14.838 -11.152 1.00 15.41 H new ATOM 0 HG3 ARG A 20 -9.232 -14.959 -12.531 1.00 15.41 H new ATOM 0 HD2 ARG A 20 -10.389 -16.710 -13.468 1.00 45.52 H new ATOM 0 HD3 ARG A 20 -10.786 -17.425 -11.918 1.00 45.52 H new ATOM 0 HE ARG A 20 -12.812 -16.297 -11.939 1.00 25.33 H new ATOM 0 HH11 ARG A 20 -10.543 -14.731 -14.143 1.00 74.13 H new ATOM 0 HH12 ARG A 20 -11.750 -13.606 -14.773 1.00 74.13 H new ATOM 0 HH21 ARG A 20 -14.358 -14.850 -12.752 1.00 74.04 H new ATOM 0 HH22 ARG A 20 -13.902 -13.673 -13.988 1.00 74.04 H new ATOM 316 N ASP A 21 -7.391 -13.583 -12.027 1.00 22.24 N ATOM 317 CA ASP A 21 -7.354 -12.126 -11.997 1.00 1.35 C ATOM 318 C ASP A 21 -8.249 -11.582 -10.887 1.00 25.21 C ATOM 319 O ASP A 21 -8.039 -10.474 -10.394 1.00 10.11 O ATOM 320 CB ASP A 21 -7.791 -11.555 -13.347 1.00 30.24 C ATOM 321 CG ASP A 21 -7.085 -12.220 -14.512 1.00 75.30 C ATOM 322 OD1 ASP A 21 -7.542 -13.300 -14.944 1.00 44.24 O ATOM 323 OD2 ASP A 21 -6.078 -11.661 -14.992 1.00 63.13 O ATOM 0 H ASP A 21 -7.522 -13.982 -12.956 1.00 22.24 H new ATOM 0 HA ASP A 21 -6.328 -11.818 -11.796 1.00 1.35 H new ATOM 0 HB2 ASP A 21 -8.868 -11.679 -13.460 1.00 30.24 H new ATOM 0 HB3 ASP A 21 -7.590 -10.484 -13.368 1.00 30.24 H new ATOM 328 N SER A 22 -9.247 -12.370 -10.500 1.00 1.44 N ATOM 329 CA SER A 22 -10.177 -11.965 -9.452 1.00 21.33 C ATOM 330 C SER A 22 -9.433 -11.647 -8.158 1.00 61.32 C ATOM 331 O SER A 22 -9.894 -10.846 -7.345 1.00 45.32 O ATOM 332 CB SER A 22 -11.208 -13.068 -9.202 1.00 41.24 C ATOM 333 OG SER A 22 -11.851 -12.892 -7.952 1.00 5.33 O ATOM 0 H SER A 22 -9.432 -13.292 -10.896 1.00 1.44 H new ATOM 0 HA SER A 22 -10.692 -11.064 -9.786 1.00 21.33 H new ATOM 0 HB2 SER A 22 -11.950 -13.064 -10.000 1.00 41.24 H new ATOM 0 HB3 SER A 22 -10.718 -14.041 -9.228 1.00 41.24 H new ATOM 0 HG SER A 22 -12.506 -13.609 -7.817 1.00 5.33 H new ATOM 339 N ASP A 23 -8.280 -12.281 -7.975 1.00 60.33 N ATOM 340 CA ASP A 23 -7.470 -12.066 -6.782 1.00 31.33 C ATOM 341 C ASP A 23 -6.683 -10.764 -6.887 1.00 3.13 C ATOM 342 O ASP A 23 -5.909 -10.420 -5.993 1.00 1.04 O ATOM 343 CB ASP A 23 -6.513 -13.240 -6.571 1.00 24.12 C ATOM 344 CG ASP A 23 -5.662 -13.520 -7.794 1.00 71.41 C ATOM 345 OD1 ASP A 23 -5.344 -12.561 -8.528 1.00 64.42 O ATOM 346 OD2 ASP A 23 -5.314 -14.699 -8.017 1.00 11.31 O ATOM 0 H ASP A 23 -7.885 -12.948 -8.638 1.00 60.33 H new ATOM 0 HA ASP A 23 -8.140 -11.996 -5.925 1.00 31.33 H new ATOM 0 HB2 ASP A 23 -5.864 -13.028 -5.721 1.00 24.12 H new ATOM 0 HB3 ASP A 23 -7.087 -14.132 -6.319 1.00 24.12 H new ATOM 351 N CYS A 24 -6.884 -10.044 -7.985 1.00 51.40 N ATOM 352 CA CYS A 24 -6.192 -8.780 -8.209 1.00 15.12 C ATOM 353 C CYS A 24 -7.155 -7.603 -8.079 1.00 3.33 C ATOM 354 O CYS A 24 -7.901 -7.274 -9.001 1.00 35.22 O ATOM 355 CB CYS A 24 -5.541 -8.769 -9.593 1.00 23.30 C ATOM 356 SG CYS A 24 -3.726 -8.926 -9.561 1.00 40.44 S ATOM 0 H CYS A 24 -7.521 -10.314 -8.734 1.00 51.40 H new ATOM 0 HA CYS A 24 -5.417 -8.679 -7.449 1.00 15.12 H new ATOM 0 HB2 CYS A 24 -5.955 -9.585 -10.184 1.00 23.30 H new ATOM 0 HB3 CYS A 24 -5.806 -7.841 -10.100 1.00 23.30 H new ATOM 0 HG CYS A 24 -3.198 -7.791 -9.208 1.00 40.44 H new ATOM 361 N PRO A 25 -7.138 -6.952 -6.906 1.00 44.52 N ATOM 362 CA PRO A 25 -8.002 -5.801 -6.627 1.00 45.52 C ATOM 363 C PRO A 25 -7.601 -4.567 -7.430 1.00 32.33 C ATOM 364 O PRO A 25 -8.435 -3.944 -8.085 1.00 42.41 O ATOM 365 CB PRO A 25 -7.794 -5.555 -5.131 1.00 24.44 C ATOM 366 CG PRO A 25 -6.444 -6.114 -4.839 1.00 44.23 C ATOM 367 CD PRO A 25 -6.273 -7.288 -5.763 1.00 32.44 C ATOM 0 HA PRO A 25 -9.039 -5.994 -6.901 1.00 45.52 H new ATOM 0 HB2 PRO A 25 -7.842 -4.492 -4.894 1.00 24.44 H new ATOM 0 HB3 PRO A 25 -8.564 -6.049 -4.538 1.00 24.44 H new ATOM 0 HG2 PRO A 25 -5.668 -5.368 -5.008 1.00 44.23 H new ATOM 0 HG3 PRO A 25 -6.367 -6.423 -3.797 1.00 44.23 H new ATOM 0 HD2 PRO A 25 -5.234 -7.411 -6.068 1.00 32.44 H new ATOM 0 HD3 PRO A 25 -6.578 -8.221 -5.288 1.00 32.44 H new ATOM 375 N GLY A 26 -6.319 -4.221 -7.374 1.00 4.13 N ATOM 376 CA GLY A 26 -5.830 -3.063 -8.100 1.00 75.43 C ATOM 377 C GLY A 26 -5.713 -3.321 -9.590 1.00 15.45 C ATOM 378 O GLY A 26 -6.242 -4.308 -10.099 1.00 54.00 O ATOM 0 H GLY A 26 -5.610 -4.722 -6.839 1.00 4.13 H new ATOM 0 HA2 GLY A 26 -6.502 -2.222 -7.932 1.00 75.43 H new ATOM 0 HA3 GLY A 26 -4.855 -2.776 -7.706 1.00 75.43 H new ATOM 382 N ALA A 27 -5.020 -2.429 -10.290 1.00 21.03 N ATOM 383 CA ALA A 27 -4.835 -2.565 -11.729 1.00 51.42 C ATOM 384 C ALA A 27 -4.193 -3.904 -12.077 1.00 12.54 C ATOM 385 O ALA A 27 -4.474 -4.485 -13.125 1.00 35.11 O ATOM 386 CB ALA A 27 -3.990 -1.418 -12.263 1.00 41.41 C ATOM 0 H ALA A 27 -4.578 -1.605 -9.884 1.00 21.03 H new ATOM 0 HA ALA A 27 -5.817 -2.530 -12.201 1.00 51.42 H new ATOM 0 HB1 ALA A 27 -3.860 -1.532 -13.339 1.00 41.41 H new ATOM 0 HB2 ALA A 27 -4.489 -0.471 -12.056 1.00 41.41 H new ATOM 0 HB3 ALA A 27 -3.015 -1.427 -11.777 1.00 41.41 H new ATOM 392 N CYS A 28 -3.329 -4.388 -11.191 1.00 10.42 N ATOM 393 CA CYS A 28 -2.646 -5.658 -11.404 1.00 4.33 C ATOM 394 C CYS A 28 -3.620 -6.723 -11.898 1.00 22.44 C ATOM 395 O CYS A 28 -4.832 -6.598 -11.725 1.00 35.25 O ATOM 396 CB CYS A 28 -1.976 -6.124 -10.109 1.00 41.45 C ATOM 397 SG CYS A 28 -3.074 -6.108 -8.656 1.00 54.43 S ATOM 0 H CYS A 28 -3.085 -3.919 -10.318 1.00 10.42 H new ATOM 0 HA CYS A 28 -1.882 -5.508 -12.167 1.00 4.33 H new ATOM 0 HB2 CYS A 28 -1.596 -7.135 -10.253 1.00 41.45 H new ATOM 0 HB3 CYS A 28 -1.116 -5.486 -9.908 1.00 41.45 H new ATOM 0 HG CYS A 28 -2.672 -5.198 -7.819 1.00 54.43 H new ATOM 402 N ILE A 29 -3.080 -7.771 -12.512 1.00 54.32 N ATOM 403 CA ILE A 29 -3.901 -8.858 -13.029 1.00 73.45 C ATOM 404 C ILE A 29 -3.123 -10.169 -13.058 1.00 23.21 C ATOM 405 O ILE A 29 -1.893 -10.172 -13.118 1.00 23.43 O ATOM 406 CB ILE A 29 -4.417 -8.550 -14.448 1.00 5.54 C ATOM 407 CG1 ILE A 29 -3.252 -8.171 -15.366 1.00 34.34 C ATOM 408 CG2 ILE A 29 -5.449 -7.433 -14.405 1.00 3.34 C ATOM 409 CD1 ILE A 29 -3.660 -7.976 -16.809 1.00 50.31 C ATOM 0 H ILE A 29 -2.078 -7.890 -12.663 1.00 54.32 H new ATOM 0 HA ILE A 29 -4.752 -8.957 -12.355 1.00 73.45 H new ATOM 0 HB ILE A 29 -4.895 -9.445 -14.848 1.00 5.54 H new ATOM 0 HG12 ILE A 29 -2.794 -7.252 -14.999 1.00 34.34 H new ATOM 0 HG13 ILE A 29 -2.491 -8.949 -15.314 1.00 34.34 H new ATOM 0 HG21 ILE A 29 -5.804 -7.227 -15.415 1.00 3.34 H new ATOM 0 HG22 ILE A 29 -6.289 -7.737 -13.780 1.00 3.34 H new ATOM 0 HG23 ILE A 29 -4.995 -6.534 -13.989 1.00 3.34 H new ATOM 0 HD11 ILE A 29 -2.785 -7.709 -17.402 1.00 50.31 H new ATOM 0 HD12 ILE A 29 -4.091 -8.901 -17.193 1.00 50.31 H new ATOM 0 HD13 ILE A 29 -4.399 -7.177 -16.873 1.00 50.31 H new ATOM 421 N CYS A 30 -3.847 -11.282 -13.016 1.00 72.44 N ATOM 422 CA CYS A 30 -3.226 -12.601 -13.039 1.00 21.03 C ATOM 423 C CYS A 30 -2.735 -12.947 -14.441 1.00 62.34 C ATOM 424 O CYS A 30 -3.523 -13.025 -15.384 1.00 64.53 O ATOM 425 CB CYS A 30 -4.216 -13.663 -12.557 1.00 14.24 C ATOM 426 SG CYS A 30 -3.739 -15.370 -12.976 1.00 21.00 S ATOM 0 H CYS A 30 -4.866 -11.297 -12.966 1.00 72.44 H new ATOM 0 HA CYS A 30 -2.368 -12.582 -12.367 1.00 21.03 H new ATOM 0 HB2 CYS A 30 -4.321 -13.582 -11.475 1.00 14.24 H new ATOM 0 HB3 CYS A 30 -5.195 -13.454 -12.989 1.00 14.24 H new ATOM 431 N ARG A 31 -1.428 -13.154 -14.571 1.00 14.22 N ATOM 432 CA ARG A 31 -0.832 -13.491 -15.858 1.00 1.33 C ATOM 433 C ARG A 31 0.045 -14.734 -15.742 1.00 5.25 C ATOM 434 O ARG A 31 0.275 -15.244 -14.646 1.00 4.42 O ATOM 435 CB ARG A 31 -0.004 -12.316 -16.383 1.00 71.52 C ATOM 436 CG ARG A 31 -0.060 -11.085 -15.494 1.00 20.45 C ATOM 437 CD ARG A 31 1.264 -10.850 -14.784 1.00 22.53 C ATOM 438 NE ARG A 31 1.872 -9.579 -15.166 1.00 41.21 N ATOM 439 CZ ARG A 31 2.652 -9.428 -16.231 1.00 54.30 C ATOM 440 NH1 ARG A 31 2.916 -10.463 -17.015 1.00 62.44 N ATOM 441 NH2 ARG A 31 3.168 -8.238 -16.513 1.00 71.45 N ATOM 0 H ARG A 31 -0.762 -13.094 -13.801 1.00 14.22 H new ATOM 0 HA ARG A 31 -1.639 -13.701 -16.560 1.00 1.33 H new ATOM 0 HB2 ARG A 31 1.034 -12.632 -16.486 1.00 71.52 H new ATOM 0 HB3 ARG A 31 -0.357 -12.050 -17.379 1.00 71.52 H new ATOM 0 HG2 ARG A 31 -0.312 -10.212 -16.096 1.00 20.45 H new ATOM 0 HG3 ARG A 31 -0.854 -11.203 -14.756 1.00 20.45 H new ATOM 0 HD2 ARG A 31 1.105 -10.866 -13.706 1.00 22.53 H new ATOM 0 HD3 ARG A 31 1.950 -11.664 -15.017 1.00 22.53 H new ATOM 0 HE ARG A 31 1.688 -8.762 -14.583 1.00 41.21 H new ATOM 0 HH11 ARG A 31 2.520 -11.378 -16.802 1.00 62.44 H new ATOM 0 HH12 ARG A 31 3.515 -10.344 -17.832 1.00 62.44 H new ATOM 0 HH21 ARG A 31 2.966 -7.439 -15.912 1.00 71.45 H new ATOM 0 HH22 ARG A 31 3.767 -8.123 -17.331 1.00 71.45 H new ATOM 455 N GLY A 32 0.533 -15.217 -16.881 1.00 15.14 N ATOM 456 CA GLY A 32 1.378 -16.396 -16.885 1.00 21.32 C ATOM 457 C GLY A 32 2.620 -16.222 -16.033 1.00 61.23 C ATOM 458 O GLY A 32 3.291 -17.197 -15.696 1.00 40.42 O ATOM 0 H GLY A 32 0.358 -14.812 -17.801 1.00 15.14 H new ATOM 0 HA2 GLY A 32 0.807 -17.250 -16.520 1.00 21.32 H new ATOM 0 HA3 GLY A 32 1.673 -16.625 -17.909 1.00 21.32 H new ATOM 462 N ASN A 33 2.928 -14.977 -15.686 1.00 12.31 N ATOM 463 CA ASN A 33 4.099 -14.678 -14.870 1.00 63.03 C ATOM 464 C ASN A 33 4.073 -15.474 -13.569 1.00 24.00 C ATOM 465 O ASN A 33 5.076 -15.560 -12.862 1.00 2.15 O ATOM 466 CB ASN A 33 4.165 -13.180 -14.564 1.00 32.41 C ATOM 467 CG ASN A 33 3.668 -12.853 -13.169 1.00 73.31 C ATOM 468 OD1 ASN A 33 2.518 -12.452 -12.986 1.00 23.32 O ATOM 469 ND2 ASN A 33 4.534 -13.023 -12.177 1.00 63.43 N ATOM 0 H ASN A 33 2.383 -14.159 -15.957 1.00 12.31 H new ATOM 0 HA ASN A 33 4.987 -14.966 -15.433 1.00 63.03 H new ATOM 0 HB2 ASN A 33 5.193 -12.835 -14.671 1.00 32.41 H new ATOM 0 HB3 ASN A 33 3.569 -12.636 -15.296 1.00 32.41 H new ATOM 0 HD21 ASN A 33 4.256 -12.819 -11.217 1.00 63.43 H new ATOM 0 HD22 ASN A 33 5.477 -13.357 -12.375 1.00 63.43 H new ATOM 476 N GLY A 34 2.918 -16.056 -13.260 1.00 43.40 N ATOM 477 CA GLY A 34 2.783 -16.837 -12.045 1.00 20.51 C ATOM 478 C GLY A 34 2.356 -15.996 -10.859 1.00 23.05 C ATOM 479 O GLY A 34 2.734 -16.277 -9.721 1.00 63.30 O ATOM 0 H GLY A 34 2.074 -16.000 -13.830 1.00 43.40 H new ATOM 0 HA2 GLY A 34 2.053 -17.630 -12.206 1.00 20.51 H new ATOM 0 HA3 GLY A 34 3.734 -17.320 -11.820 1.00 20.51 H new ATOM 483 N TYR A 35 1.568 -14.960 -11.123 1.00 62.02 N ATOM 484 CA TYR A 35 1.093 -14.072 -10.069 1.00 21.12 C ATOM 485 C TYR A 35 0.298 -12.909 -10.653 1.00 51.34 C ATOM 486 O TYR A 35 0.361 -12.639 -11.853 1.00 52.31 O ATOM 487 CB TYR A 35 2.272 -13.540 -9.252 1.00 53.51 C ATOM 488 CG TYR A 35 1.909 -12.383 -8.348 1.00 74.02 C ATOM 489 CD1 TYR A 35 1.322 -12.602 -7.108 1.00 22.31 C ATOM 490 CD2 TYR A 35 2.153 -11.071 -8.734 1.00 41.25 C ATOM 491 CE1 TYR A 35 0.988 -11.549 -6.279 1.00 43.44 C ATOM 492 CE2 TYR A 35 1.824 -10.011 -7.912 1.00 12.12 C ATOM 493 CZ TYR A 35 1.241 -10.255 -6.686 1.00 2.14 C ATOM 494 OH TYR A 35 0.911 -9.203 -5.863 1.00 3.44 O ATOM 0 H TYR A 35 1.244 -14.714 -12.059 1.00 62.02 H new ATOM 0 HA TYR A 35 0.435 -14.645 -9.415 1.00 21.12 H new ATOM 0 HB2 TYR A 35 2.678 -14.350 -8.646 1.00 53.51 H new ATOM 0 HB3 TYR A 35 3.062 -13.224 -9.933 1.00 53.51 H new ATOM 0 HD1 TYR A 35 1.123 -13.614 -6.787 1.00 22.31 H new ATOM 0 HD2 TYR A 35 2.608 -10.876 -9.694 1.00 41.25 H new ATOM 0 HE1 TYR A 35 0.532 -11.737 -5.318 1.00 43.44 H new ATOM 0 HE2 TYR A 35 2.022 -8.997 -8.227 1.00 12.12 H new ATOM 0 HH TYR A 35 1.155 -8.359 -6.297 1.00 3.44 H new ATOM 504 N CYS A 36 -0.450 -12.222 -9.796 1.00 71.12 N ATOM 505 CA CYS A 36 -1.259 -11.087 -10.225 1.00 25.03 C ATOM 506 C CYS A 36 -0.377 -9.889 -10.565 1.00 1.23 C ATOM 507 O CYS A 36 -0.281 -8.936 -9.792 1.00 62.22 O ATOM 508 CB CYS A 36 -2.258 -10.705 -9.132 1.00 13.45 C ATOM 509 SG CYS A 36 -3.238 -9.216 -9.508 1.00 0.42 S ATOM 0 H CYS A 36 -0.513 -12.432 -8.800 1.00 71.12 H new ATOM 0 HA CYS A 36 -1.806 -11.380 -11.121 1.00 25.03 H new ATOM 0 HB2 CYS A 36 -2.937 -11.542 -8.967 1.00 13.45 H new ATOM 0 HB3 CYS A 36 -1.717 -10.545 -8.200 1.00 13.45 H new ATOM 0 HG CYS A 36 -3.657 -8.681 -8.400 1.00 0.42 H new ATOM 514 N GLY A 37 0.265 -9.945 -11.728 1.00 5.43 N ATOM 515 CA GLY A 37 1.131 -8.859 -12.150 1.00 55.32 C ATOM 516 C GLY A 37 0.380 -7.780 -12.906 1.00 62.20 C ATOM 517 O GLY A 37 -0.483 -8.078 -13.731 1.00 54.22 O ATOM 0 H GLY A 37 0.201 -10.722 -12.385 1.00 5.43 H new ATOM 0 HA2 GLY A 37 1.610 -8.419 -11.275 1.00 55.32 H new ATOM 0 HA3 GLY A 37 1.925 -9.256 -12.782 1.00 55.32 H new TER 521 GLY A 37