USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 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 34 SER OG : rot 124:sc= 0.388 USER MOD Set 1.2: A 54 TYR OH : rot -97:sc= 0.424 USER MOD Set 2.1: A 44 ASN : amide:sc= -3.91! C(o=-5.4!,f=-12!) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -1.46 F(o=-12,f=-5.4) USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= 0.44 (180deg=-0.368) USER MOD Single : A 5 LYS NZ :NH3+ 129:sc= -0.208 (180deg=-1.07) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 47:sc= -3.81! USER MOD Single : A 10 ASN : amide:sc= -2! C(o=-2!,f=-6.1!) USER MOD Single : A 11 TYR OH : rot 175:sc= 1.34 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.108) USER MOD Single : A 17 GLN : amide:sc= -2.25! C(o=-2.3!,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0621 K(o=-0.062,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -10.3! C(o=-10!,f=-29!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.198 F(o=-0.93,f=-0.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -1.19 (180deg=-1.96) USER MOD Single : A 51 TYR OH : rot -139:sc= -0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 68.210 -76.013 66.411 1.00 0.00 N ATOM 2 CA ASP A 2 69.312 -76.902 66.057 1.00 0.00 C ATOM 3 C ASP A 2 70.161 -76.289 64.949 1.00 0.00 C ATOM 4 O ASP A 2 69.812 -75.250 64.390 1.00 0.00 O ATOM 5 CB ASP A 2 68.764 -78.253 65.595 1.00 0.00 C ATOM 6 CG ASP A 2 68.047 -78.948 66.748 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.235 -78.526 67.877 1.00 0.00 O ATOM 8 OD2 ASP A 2 67.322 -79.893 66.485 1.00 0.00 O ATOM 0 HA ASP A 2 69.936 -77.045 66.939 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.076 -78.110 64.762 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.578 -78.880 65.232 1.00 0.00 H new ATOM 13 N LYS A 3 71.277 -76.940 64.637 1.00 0.00 N ATOM 14 CA LYS A 3 72.169 -76.449 63.593 1.00 0.00 C ATOM 15 C LYS A 3 71.430 -76.344 62.263 1.00 0.00 C ATOM 16 O LYS A 3 71.698 -75.448 61.462 1.00 0.00 O ATOM 17 CB LYS A 3 73.364 -77.392 63.442 1.00 0.00 C ATOM 18 CG LYS A 3 72.879 -78.759 62.957 1.00 0.00 C ATOM 19 CD LYS A 3 74.047 -79.746 62.961 1.00 0.00 C ATOM 20 CE LYS A 3 73.639 -81.024 62.225 1.00 0.00 C ATOM 21 NZ LYS A 3 72.424 -81.601 62.869 1.00 0.00 N ATOM 0 H LYS A 3 71.584 -77.802 65.088 1.00 0.00 H new ATOM 0 HA LYS A 3 72.522 -75.458 63.879 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.081 -76.977 62.734 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.882 -77.496 64.396 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.079 -79.123 63.602 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.464 -78.674 61.953 1.00 0.00 H new ATOM 0 HD2 LYS A 3 74.917 -79.298 62.480 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.335 -79.980 63.986 1.00 0.00 H new ATOM 0 HE2 LYS A 3 73.439 -80.804 61.176 1.00 0.00 H new ATOM 0 HE3 LYS A 3 74.455 -81.747 62.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 72.446 -82.637 62.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 72.404 -81.334 63.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 71.573 -81.234 62.396 1.00 0.00 H new ATOM 35 N CYS A 4 70.499 -77.265 62.035 1.00 0.00 N ATOM 36 CA CYS A 4 69.725 -77.264 60.799 1.00 0.00 C ATOM 37 C CYS A 4 68.576 -76.271 60.835 1.00 0.00 C ATOM 38 O CYS A 4 67.500 -76.641 60.365 1.00 0.00 O ATOM 39 CB CYS A 4 69.070 -78.631 60.592 1.00 0.00 C ATOM 40 SG CYS A 4 70.321 -79.929 60.745 1.00 0.00 S ATOM 0 H CYS A 4 70.264 -78.016 62.684 1.00 0.00 H new ATOM 0 HA CYS A 4 70.428 -77.005 60.007 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.281 -78.783 61.328 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.602 -78.677 59.609 1.00 0.00 H new ATOM 45 N LYS A 5 68.750 -75.079 61.396 1.00 0.00 N ATOM 46 CA LYS A 5 67.654 -74.120 61.483 1.00 0.00 C ATOM 47 C LYS A 5 68.091 -72.757 60.954 1.00 0.00 C ATOM 48 O LYS A 5 69.144 -72.244 61.331 1.00 0.00 O ATOM 49 CB LYS A 5 67.195 -73.983 62.936 1.00 0.00 C ATOM 50 CG LYS A 5 66.891 -75.369 63.508 1.00 0.00 C ATOM 51 CD LYS A 5 65.609 -75.914 62.874 1.00 0.00 C ATOM 52 CE LYS A 5 65.078 -77.077 63.715 1.00 0.00 C ATOM 53 NZ LYS A 5 64.705 -76.581 65.070 1.00 0.00 N ATOM 0 H LYS A 5 69.632 -74.755 61.794 1.00 0.00 H new ATOM 0 HA LYS A 5 66.827 -74.485 60.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.969 -73.495 63.529 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.307 -73.353 62.990 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.723 -76.046 63.311 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.777 -75.310 64.590 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.859 -75.126 62.810 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.808 -76.249 61.856 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.211 -77.525 63.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.836 -77.856 63.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.739 -76.892 65.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.368 -76.963 65.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.747 -75.542 65.083 1.00 0.00 H new ATOM 67 N LYS A 6 67.275 -72.178 60.080 1.00 0.00 N ATOM 68 CA LYS A 6 67.565 -70.855 59.539 1.00 0.00 C ATOM 69 C LYS A 6 66.380 -69.918 59.748 1.00 0.00 C ATOM 70 O LYS A 6 65.322 -70.097 59.146 1.00 0.00 O ATOM 71 CB LYS A 6 67.878 -70.959 58.045 1.00 0.00 C ATOM 72 CG LYS A 6 69.010 -71.965 57.827 1.00 0.00 C ATOM 73 CD LYS A 6 70.357 -71.274 58.045 1.00 0.00 C ATOM 74 CE LYS A 6 70.574 -70.222 56.955 1.00 0.00 C ATOM 75 NZ LYS A 6 71.991 -70.268 56.495 1.00 0.00 N ATOM 0 H LYS A 6 66.414 -72.600 59.733 1.00 0.00 H new ATOM 0 HA LYS A 6 68.430 -70.450 60.064 1.00 0.00 H new ATOM 0 HB2 LYS A 6 66.989 -71.272 57.498 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.165 -69.983 57.654 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.904 -72.803 58.516 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.958 -72.374 56.818 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.382 -70.804 59.028 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.162 -72.008 58.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.902 -70.407 56.117 1.00 0.00 H new ATOM 0 HE3 LYS A 6 70.337 -69.230 57.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 72.139 -69.553 55.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.623 -70.071 57.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.201 -71.212 56.112 1.00 0.00 H new ATOM 89 N VAL A 7 66.566 -68.919 60.604 1.00 0.00 N ATOM 90 CA VAL A 7 65.488 -67.989 60.923 1.00 0.00 C ATOM 91 C VAL A 7 65.276 -67.004 59.777 1.00 0.00 C ATOM 92 O VAL A 7 66.236 -66.472 59.220 1.00 0.00 O ATOM 93 CB VAL A 7 65.820 -67.223 62.204 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.695 -66.233 62.513 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.960 -68.210 63.365 1.00 0.00 C ATOM 0 H VAL A 7 67.445 -68.733 61.086 1.00 0.00 H new ATOM 0 HA VAL A 7 64.571 -68.560 61.071 1.00 0.00 H new ATOM 0 HB VAL A 7 66.756 -66.681 62.070 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.932 -65.687 63.426 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.592 -65.530 61.686 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.759 -66.776 62.647 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.197 -67.665 64.279 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.023 -68.751 63.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.760 -68.917 63.147 1.00 0.00 H new ATOM 105 N TYR A 8 64.015 -66.768 59.433 1.00 0.00 N ATOM 106 CA TYR A 8 63.688 -65.807 58.385 1.00 0.00 C ATOM 107 C TYR A 8 63.584 -64.398 58.962 1.00 0.00 C ATOM 108 O TYR A 8 62.979 -64.191 60.014 1.00 0.00 O ATOM 109 CB TYR A 8 62.363 -66.189 57.722 1.00 0.00 C ATOM 110 CG TYR A 8 62.639 -67.000 56.478 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.451 -68.138 56.549 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.081 -66.613 55.253 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.706 -68.889 55.396 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.336 -67.365 54.100 1.00 0.00 C ATOM 115 CZ TYR A 8 63.149 -68.503 54.171 1.00 0.00 C ATOM 116 OH TYR A 8 63.400 -69.243 53.034 1.00 0.00 O ATOM 0 H TYR A 8 63.209 -67.224 59.860 1.00 0.00 H new ATOM 0 HA TYR A 8 64.485 -65.824 57.641 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.749 -66.764 58.415 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.800 -65.292 57.467 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.881 -68.436 57.494 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.454 -65.735 55.198 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.333 -69.767 55.451 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.905 -67.067 53.155 1.00 0.00 H new ATOM 0 HH TYR A 8 63.273 -70.195 53.229 1.00 0.00 H new ATOM 126 N GLU A 9 64.177 -63.434 58.266 1.00 0.00 N ATOM 127 CA GLU A 9 64.127 -62.045 58.706 1.00 0.00 C ATOM 128 C GLU A 9 63.436 -61.175 57.660 1.00 0.00 C ATOM 129 O GLU A 9 63.705 -61.295 56.464 1.00 0.00 O ATOM 130 CB GLU A 9 65.543 -61.522 58.952 1.00 0.00 C ATOM 131 CG GLU A 9 66.178 -62.293 60.112 1.00 0.00 C ATOM 132 CD GLU A 9 65.451 -61.968 61.412 1.00 0.00 C ATOM 133 OE1 GLU A 9 64.751 -60.970 61.443 1.00 0.00 O ATOM 134 OE2 GLU A 9 65.607 -62.721 62.359 1.00 0.00 O ATOM 0 H GLU A 9 64.695 -63.587 57.401 1.00 0.00 H new ATOM 0 HA GLU A 9 63.557 -61.999 59.634 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.146 -61.637 58.051 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.514 -60.457 59.182 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.131 -63.364 59.917 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.232 -62.031 60.200 1.00 0.00 H new ATOM 141 N ASN A 10 62.547 -60.301 58.118 1.00 0.00 N ATOM 142 CA ASN A 10 61.832 -59.407 57.214 1.00 0.00 C ATOM 143 C ASN A 10 60.876 -60.195 56.325 1.00 0.00 C ATOM 144 O ASN A 10 60.992 -60.175 55.100 1.00 0.00 O ATOM 145 CB ASN A 10 62.830 -58.641 56.342 1.00 0.00 C ATOM 146 CG ASN A 10 64.048 -58.245 57.168 1.00 0.00 C ATOM 147 OD1 ASN A 10 64.057 -58.422 58.387 1.00 0.00 O ATOM 148 ND2 ASN A 10 65.084 -57.717 56.576 1.00 0.00 N ATOM 0 H ASN A 10 62.305 -60.192 59.103 1.00 0.00 H new ATOM 0 HA ASN A 10 61.254 -58.702 57.811 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.138 -59.259 55.499 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.356 -57.751 55.929 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.903 -57.450 57.123 1.00 0.00 H new ATOM 0 HD22 ASN A 10 65.075 -57.571 55.567 1.00 0.00 H new ATOM 155 N TYR A 11 59.932 -60.890 56.951 1.00 0.00 N ATOM 156 CA TYR A 11 58.939 -61.655 56.205 1.00 0.00 C ATOM 157 C TYR A 11 57.537 -61.369 56.733 1.00 0.00 C ATOM 158 O TYR A 11 57.360 -61.012 57.897 1.00 0.00 O ATOM 159 CB TYR A 11 59.236 -63.151 56.324 1.00 0.00 C ATOM 160 CG TYR A 11 60.101 -63.586 55.166 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.438 -63.176 55.099 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.567 -64.399 54.159 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.241 -63.579 54.025 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.370 -64.802 53.085 1.00 0.00 C ATOM 165 CZ TYR A 11 61.707 -64.392 53.018 1.00 0.00 C ATOM 166 OH TYR A 11 62.498 -64.789 51.959 1.00 0.00 O ATOM 0 H TYR A 11 59.834 -60.940 57.965 1.00 0.00 H new ATOM 0 HA TYR A 11 58.989 -61.357 55.158 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.741 -63.358 57.267 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.305 -63.718 56.330 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.850 -62.549 55.876 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.536 -64.715 54.211 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.272 -63.263 53.973 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.958 -65.429 52.308 1.00 0.00 H new ATOM 0 HH TYR A 11 61.998 -65.414 51.393 1.00 0.00 H new ATOM 176 N PRO A 12 56.547 -61.518 55.894 1.00 0.00 N ATOM 177 CA PRO A 12 55.127 -61.270 56.270 1.00 0.00 C ATOM 178 C PRO A 12 54.652 -62.202 57.380 1.00 0.00 C ATOM 179 O PRO A 12 54.726 -63.424 57.253 1.00 0.00 O ATOM 180 CB PRO A 12 54.332 -61.519 54.955 1.00 0.00 C ATOM 181 CG PRO A 12 55.251 -62.302 54.074 1.00 0.00 C ATOM 182 CD PRO A 12 56.679 -61.945 54.494 1.00 0.00 C ATOM 0 HA PRO A 12 54.986 -60.264 56.666 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.412 -62.070 55.151 1.00 0.00 H new ATOM 0 HB3 PRO A 12 54.046 -60.578 54.485 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.072 -63.372 54.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.084 -62.056 53.025 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.347 -62.801 54.400 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.090 -61.150 53.872 1.00 0.00 H new ATOM 190 N VAL A 13 54.164 -61.617 58.469 1.00 0.00 N ATOM 191 CA VAL A 13 53.678 -62.404 59.596 1.00 0.00 C ATOM 192 C VAL A 13 52.305 -62.991 59.286 1.00 0.00 C ATOM 193 O VAL A 13 52.054 -64.173 59.527 1.00 0.00 O ATOM 194 CB VAL A 13 53.589 -61.529 60.847 1.00 0.00 C ATOM 195 CG1 VAL A 13 52.422 -60.550 60.705 1.00 0.00 C ATOM 196 CG2 VAL A 13 53.364 -62.414 62.074 1.00 0.00 C ATOM 0 H VAL A 13 54.095 -60.607 58.595 1.00 0.00 H new ATOM 0 HA VAL A 13 54.379 -63.219 59.773 1.00 0.00 H new ATOM 0 HB VAL A 13 54.518 -60.972 60.966 1.00 0.00 H new ATOM 0 HG11 VAL A 13 52.359 -59.927 61.597 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.581 -59.918 59.831 1.00 0.00 H new ATOM 0 HG13 VAL A 13 51.493 -61.107 60.585 1.00 0.00 H new ATOM 0 HG21 VAL A 13 53.301 -61.790 62.966 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.435 -62.972 61.955 1.00 0.00 H new ATOM 0 HG23 VAL A 13 54.196 -63.111 62.177 1.00 0.00 H new ATOM 206 N SER A 14 51.418 -62.158 58.751 1.00 0.00 N ATOM 207 CA SER A 14 50.068 -62.603 58.422 1.00 0.00 C ATOM 208 C SER A 14 50.114 -63.871 57.577 1.00 0.00 C ATOM 209 O SER A 14 49.262 -64.749 57.711 1.00 0.00 O ATOM 210 CB SER A 14 49.329 -61.505 57.659 1.00 0.00 C ATOM 211 OG SER A 14 49.350 -60.306 58.422 1.00 0.00 O ATOM 0 H SER A 14 51.607 -61.179 58.537 1.00 0.00 H new ATOM 0 HA SER A 14 49.539 -62.818 59.351 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.799 -61.341 56.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.300 -61.809 57.467 1.00 0.00 H new ATOM 0 HG SER A 14 48.878 -59.599 57.934 1.00 0.00 H new ATOM 217 N LYS A 15 51.113 -63.960 56.705 1.00 0.00 N ATOM 218 CA LYS A 15 51.268 -65.132 55.852 1.00 0.00 C ATOM 219 C LYS A 15 51.602 -66.363 56.690 1.00 0.00 C ATOM 220 O LYS A 15 51.210 -67.480 56.353 1.00 0.00 O ATOM 221 CB LYS A 15 52.381 -64.892 54.830 1.00 0.00 C ATOM 222 CG LYS A 15 51.878 -63.941 53.742 1.00 0.00 C ATOM 223 CD LYS A 15 51.134 -64.740 52.670 1.00 0.00 C ATOM 224 CE LYS A 15 50.763 -63.816 51.509 1.00 0.00 C ATOM 225 NZ LYS A 15 49.698 -62.871 51.948 1.00 0.00 N ATOM 0 H LYS A 15 51.823 -63.240 56.571 1.00 0.00 H new ATOM 0 HA LYS A 15 50.327 -65.305 55.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.256 -64.468 55.322 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.692 -65.838 54.386 1.00 0.00 H new ATOM 0 HG2 LYS A 15 51.217 -63.191 54.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 52.716 -63.406 53.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 51.759 -65.558 52.312 1.00 0.00 H new ATOM 0 HD3 LYS A 15 50.235 -65.188 53.094 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.641 -63.262 51.176 1.00 0.00 H new ATOM 0 HE3 LYS A 15 50.415 -64.403 50.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 49.314 -62.372 51.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 48.936 -63.401 52.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 50.100 -62.180 52.614 1.00 0.00 H new ATOM 239 N CYS A 16 52.327 -66.149 57.782 1.00 0.00 N ATOM 240 CA CYS A 16 52.707 -67.248 58.663 1.00 0.00 C ATOM 241 C CYS A 16 51.472 -67.869 59.307 1.00 0.00 C ATOM 242 O CYS A 16 51.552 -68.927 59.931 1.00 0.00 O ATOM 243 CB CYS A 16 53.654 -66.742 59.752 1.00 0.00 C ATOM 244 SG CYS A 16 55.169 -67.733 59.742 1.00 0.00 S ATOM 0 H CYS A 16 52.662 -65.232 58.077 1.00 0.00 H new ATOM 0 HA CYS A 16 53.213 -68.008 58.068 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.892 -65.692 59.583 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.171 -66.806 60.727 1.00 0.00 H new ATOM 249 N GLN A 17 50.332 -67.204 59.152 1.00 0.00 N ATOM 250 CA GLN A 17 49.085 -67.705 59.717 1.00 0.00 C ATOM 251 C GLN A 17 48.700 -69.032 59.073 1.00 0.00 C ATOM 252 O GLN A 17 47.720 -69.664 59.468 1.00 0.00 O ATOM 253 CB GLN A 17 47.965 -66.685 59.498 1.00 0.00 C ATOM 254 CG GLN A 17 47.519 -66.722 58.035 1.00 0.00 C ATOM 255 CD GLN A 17 46.748 -65.453 57.692 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.782 -64.482 58.448 1.00 0.00 O ATOM 257 NE2 GLN A 17 46.049 -65.402 56.591 1.00 0.00 N ATOM 0 H GLN A 17 50.246 -66.324 58.644 1.00 0.00 H new ATOM 0 HA GLN A 17 49.230 -67.862 60.786 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.122 -66.909 60.152 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.313 -65.685 59.758 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.388 -66.816 57.384 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.893 -67.597 57.859 1.00 0.00 H new ATOM 0 HE21 GLN A 17 46.022 -66.208 55.966 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.529 -64.556 56.355 1.00 0.00 H new ATOM 266 N LEU A 18 49.477 -69.449 58.080 1.00 0.00 N ATOM 267 CA LEU A 18 49.222 -70.713 57.400 1.00 0.00 C ATOM 268 C LEU A 18 50.501 -71.539 57.304 1.00 0.00 C ATOM 269 O LEU A 18 51.313 -71.341 56.401 1.00 0.00 O ATOM 270 CB LEU A 18 48.676 -70.450 55.996 1.00 0.00 C ATOM 271 CG LEU A 18 47.172 -70.184 56.074 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.749 -69.286 54.910 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.416 -71.512 55.992 1.00 0.00 C ATOM 0 H LEU A 18 50.284 -68.934 57.729 1.00 0.00 H new ATOM 0 HA LEU A 18 48.485 -71.272 57.978 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.185 -69.595 55.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.871 -71.307 55.352 1.00 0.00 H new ATOM 0 HG LEU A 18 46.940 -69.689 57.017 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.677 -69.097 54.967 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.287 -68.340 54.966 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.981 -69.780 53.966 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.344 -71.324 56.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.650 -72.006 55.049 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.715 -72.153 56.821 1.00 0.00 H new ATOM 285 N ALA A 19 50.673 -72.464 58.242 1.00 0.00 N ATOM 286 CA ALA A 19 51.858 -73.315 58.254 1.00 0.00 C ATOM 287 C ALA A 19 52.168 -73.823 56.849 1.00 0.00 C ATOM 288 O ALA A 19 53.243 -74.368 56.599 1.00 0.00 O ATOM 289 CB ALA A 19 51.637 -74.505 59.190 1.00 0.00 C ATOM 0 H ALA A 19 50.013 -72.643 58.999 1.00 0.00 H new ATOM 0 HA ALA A 19 52.702 -72.724 58.609 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.526 -75.135 59.193 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.445 -74.143 60.200 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.782 -75.086 58.844 1.00 0.00 H new ATOM 295 N ASN A 20 51.220 -73.638 55.935 1.00 0.00 N ATOM 296 CA ASN A 20 51.408 -74.073 54.556 1.00 0.00 C ATOM 297 C ASN A 20 52.192 -73.029 53.766 1.00 0.00 C ATOM 298 O ASN A 20 53.037 -73.369 52.938 1.00 0.00 O ATOM 299 CB ASN A 20 50.050 -74.305 53.892 1.00 0.00 C ATOM 300 CG ASN A 20 49.431 -75.599 54.409 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.126 -76.432 54.989 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.156 -75.818 54.230 1.00 0.00 N ATOM 0 H ASN A 20 50.321 -73.194 56.122 1.00 0.00 H new ATOM 0 HA ASN A 20 51.973 -75.005 54.563 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.386 -73.466 54.100 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.169 -74.356 52.810 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.734 -76.682 54.571 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.582 -75.125 53.749 1.00 0.00 H new ATOM 309 N GLN A 21 51.904 -71.758 54.027 1.00 0.00 N ATOM 310 CA GLN A 21 52.593 -70.672 53.340 1.00 0.00 C ATOM 311 C GLN A 21 54.014 -70.515 53.874 1.00 0.00 C ATOM 312 O GLN A 21 54.967 -70.399 53.104 1.00 0.00 O ATOM 313 CB GLN A 21 51.827 -69.362 53.534 1.00 0.00 C ATOM 314 CG GLN A 21 50.523 -69.410 52.736 1.00 0.00 C ATOM 315 CD GLN A 21 50.827 -69.448 51.242 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.450 -68.527 50.712 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.424 -70.463 50.529 1.00 0.00 N ATOM 0 H GLN A 21 51.203 -71.456 54.704 1.00 0.00 H new ATOM 0 HA GLN A 21 52.640 -70.912 52.278 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.613 -69.207 54.591 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.436 -68.520 53.205 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.945 -70.289 53.020 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.912 -68.538 52.969 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.908 -71.224 50.971 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.625 -70.496 49.529 1.00 0.00 H new ATOM 326 N CYS A 22 54.146 -70.511 55.197 1.00 0.00 N ATOM 327 CA CYS A 22 55.453 -70.348 55.823 1.00 0.00 C ATOM 328 C CYS A 22 56.443 -71.374 55.280 1.00 0.00 C ATOM 329 O CYS A 22 57.484 -71.014 54.732 1.00 0.00 O ATOM 330 CB CYS A 22 55.326 -70.512 57.339 1.00 0.00 C ATOM 331 SG CYS A 22 56.975 -70.501 58.086 1.00 0.00 S ATOM 0 H CYS A 22 53.371 -70.618 55.851 1.00 0.00 H new ATOM 0 HA CYS A 22 55.823 -69.349 55.593 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.722 -69.705 57.754 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.815 -71.446 57.573 1.00 0.00 H new ATOM 336 N ASN A 23 56.112 -72.651 55.438 1.00 0.00 N ATOM 337 CA ASN A 23 56.994 -73.721 54.987 1.00 0.00 C ATOM 338 C ASN A 23 57.242 -73.616 53.484 1.00 0.00 C ATOM 339 O ASN A 23 58.374 -73.751 53.022 1.00 0.00 O ATOM 340 CB ASN A 23 56.372 -75.081 55.309 1.00 0.00 C ATOM 341 CG ASN A 23 54.948 -75.144 54.769 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.314 -74.109 54.565 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.403 -76.304 54.524 1.00 0.00 N ATOM 0 H ASN A 23 55.245 -72.969 55.872 1.00 0.00 H new ATOM 0 HA ASN A 23 57.946 -73.624 55.508 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.972 -75.878 54.869 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.368 -75.242 56.387 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.450 -76.354 54.163 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.930 -77.161 54.694 1.00 0.00 H new ATOM 350 N TYR A 24 56.176 -73.377 52.729 1.00 0.00 N ATOM 351 CA TYR A 24 56.292 -73.245 51.281 1.00 0.00 C ATOM 352 C TYR A 24 57.230 -72.099 50.918 1.00 0.00 C ATOM 353 O TYR A 24 58.214 -72.290 50.204 1.00 0.00 O ATOM 354 CB TYR A 24 54.913 -72.992 50.668 1.00 0.00 C ATOM 355 CG TYR A 24 54.288 -74.308 50.274 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.100 -75.311 51.233 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.893 -74.527 48.948 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.520 -76.531 50.867 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.313 -75.747 48.582 1.00 0.00 C ATOM 360 CZ TYR A 24 53.127 -76.750 49.543 1.00 0.00 C ATOM 361 OH TYR A 24 52.555 -77.953 49.181 1.00 0.00 O ATOM 0 H TYR A 24 55.228 -73.271 53.091 1.00 0.00 H new ATOM 0 HA TYR A 24 56.703 -74.173 50.883 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.275 -72.474 51.384 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.004 -72.345 49.796 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.403 -75.143 52.256 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.036 -73.754 48.208 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.376 -77.304 51.608 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.009 -75.915 47.559 1.00 0.00 H new ATOM 0 HH TYR A 24 52.340 -77.938 48.225 1.00 0.00 H new ATOM 371 N ASP A 25 56.918 -70.905 51.414 1.00 0.00 N ATOM 372 CA ASP A 25 57.740 -69.733 51.137 1.00 0.00 C ATOM 373 C ASP A 25 59.198 -69.997 51.504 1.00 0.00 C ATOM 374 O ASP A 25 60.110 -69.628 50.766 1.00 0.00 O ATOM 375 CB ASP A 25 57.222 -68.532 51.930 1.00 0.00 C ATOM 376 CG ASP A 25 55.849 -68.119 51.413 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.471 -68.590 50.352 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.195 -67.337 52.083 1.00 0.00 O ATOM 0 H ASP A 25 56.107 -70.725 52.006 1.00 0.00 H new ATOM 0 HA ASP A 25 57.681 -69.518 50.070 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.160 -68.784 52.989 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.919 -67.699 51.841 1.00 0.00 H new ATOM 383 N CYS A 26 59.407 -70.638 52.650 1.00 0.00 N ATOM 384 CA CYS A 26 60.758 -70.942 53.106 1.00 0.00 C ATOM 385 C CYS A 26 61.531 -71.701 52.031 1.00 0.00 C ATOM 386 O CYS A 26 62.653 -71.332 51.683 1.00 0.00 O ATOM 387 CB CYS A 26 60.701 -71.782 54.383 1.00 0.00 C ATOM 388 SG CYS A 26 62.037 -71.278 55.497 1.00 0.00 S ATOM 0 H CYS A 26 58.665 -70.954 53.275 1.00 0.00 H new ATOM 0 HA CYS A 26 61.271 -70.002 53.310 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.736 -71.653 54.873 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.796 -72.840 54.140 1.00 0.00 H new ATOM 393 N LYS A 27 60.924 -72.762 51.511 1.00 0.00 N ATOM 394 CA LYS A 27 61.568 -73.569 50.480 1.00 0.00 C ATOM 395 C LYS A 27 61.736 -72.766 49.193 1.00 0.00 C ATOM 396 O LYS A 27 62.822 -72.722 48.615 1.00 0.00 O ATOM 397 CB LYS A 27 60.733 -74.819 50.198 1.00 0.00 C ATOM 398 CG LYS A 27 60.600 -75.644 51.479 1.00 0.00 C ATOM 399 CD LYS A 27 59.827 -76.929 51.181 1.00 0.00 C ATOM 400 CE LYS A 27 58.445 -76.857 51.834 1.00 0.00 C ATOM 401 NZ LYS A 27 57.732 -78.150 51.632 1.00 0.00 N ATOM 0 H LYS A 27 59.995 -73.082 51.783 1.00 0.00 H new ATOM 0 HA LYS A 27 62.554 -73.863 50.841 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.746 -74.535 49.832 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.204 -75.415 49.416 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.587 -75.884 51.873 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.083 -75.065 52.245 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.725 -77.063 50.104 1.00 0.00 H new ATOM 0 HD3 LYS A 27 60.375 -77.792 51.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.545 -76.647 52.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 57.868 -76.040 51.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 56.793 -78.101 52.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 57.625 -78.332 50.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.280 -78.920 52.066 1.00 0.00 H new ATOM 415 N LEU A 28 60.655 -72.133 48.752 1.00 0.00 N ATOM 416 CA LEU A 28 60.684 -71.365 47.511 1.00 0.00 C ATOM 417 C LEU A 28 61.799 -70.325 47.549 1.00 0.00 C ATOM 418 O LEU A 28 62.351 -69.958 46.512 1.00 0.00 O ATOM 419 CB LEU A 28 59.340 -70.667 47.297 1.00 0.00 C ATOM 420 CG LEU A 28 58.242 -71.717 47.121 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.872 -71.057 47.291 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.342 -72.328 45.721 1.00 0.00 C ATOM 0 H LEU A 28 59.754 -72.135 49.230 1.00 0.00 H new ATOM 0 HA LEU A 28 60.872 -72.052 46.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.112 -70.026 48.148 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.388 -70.024 46.418 1.00 0.00 H new ATOM 0 HG LEU A 28 58.364 -72.499 47.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.090 -71.805 47.166 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.800 -70.620 48.287 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.749 -70.275 46.542 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.560 -73.077 45.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.220 -71.545 44.973 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.318 -72.798 45.598 1.00 0.00 H new ATOM 434 N ASP A 29 62.126 -69.857 48.748 1.00 0.00 N ATOM 435 CA ASP A 29 63.144 -68.824 48.902 1.00 0.00 C ATOM 436 C ASP A 29 64.495 -69.448 49.235 1.00 0.00 C ATOM 437 O ASP A 29 65.505 -69.139 48.603 1.00 0.00 O ATOM 438 CB ASP A 29 62.740 -67.853 50.013 1.00 0.00 C ATOM 439 CG ASP A 29 61.501 -67.068 49.594 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.135 -67.154 48.434 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.937 -66.393 50.440 1.00 0.00 O ATOM 0 H ASP A 29 61.705 -70.173 49.622 1.00 0.00 H new ATOM 0 HA ASP A 29 63.229 -68.282 47.960 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.539 -68.403 50.932 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.561 -67.168 50.225 1.00 0.00 H new ATOM 446 N LYS A 30 64.506 -70.327 50.232 1.00 0.00 N ATOM 447 CA LYS A 30 65.753 -70.927 50.695 1.00 0.00 C ATOM 448 C LYS A 30 65.842 -72.385 50.256 1.00 0.00 C ATOM 449 O LYS A 30 66.918 -72.982 50.267 1.00 0.00 O ATOM 450 CB LYS A 30 65.836 -70.844 52.220 1.00 0.00 C ATOM 451 CG LYS A 30 65.952 -69.379 52.646 1.00 0.00 C ATOM 452 CD LYS A 30 67.420 -68.949 52.603 1.00 0.00 C ATOM 453 CE LYS A 30 67.558 -67.540 53.182 1.00 0.00 C ATOM 454 NZ LYS A 30 68.996 -67.244 53.434 1.00 0.00 N ATOM 0 H LYS A 30 63.673 -70.638 50.732 1.00 0.00 H new ATOM 0 HA LYS A 30 66.585 -70.377 50.255 1.00 0.00 H new ATOM 0 HB2 LYS A 30 64.951 -71.295 52.668 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.697 -71.407 52.579 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.358 -68.749 51.984 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.553 -69.249 53.652 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.031 -69.649 53.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.786 -68.969 51.576 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.141 -66.809 52.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.991 -67.460 54.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.089 -66.286 53.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.379 -67.935 54.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.525 -67.304 52.540 1.00 0.00 H new ATOM 468 N HIS A 31 64.704 -72.952 49.869 1.00 0.00 N ATOM 469 CA HIS A 31 64.668 -74.338 49.417 1.00 0.00 C ATOM 470 C HIS A 31 65.059 -75.283 50.550 1.00 0.00 C ATOM 471 O HIS A 31 65.911 -76.154 50.378 1.00 0.00 O ATOM 472 CB HIS A 31 65.625 -74.529 48.238 1.00 0.00 C ATOM 473 CG HIS A 31 65.313 -73.516 47.171 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.586 -72.174 47.071 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.628 -73.849 46.013 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 65.080 -71.681 45.872 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.513 -72.732 45.273 1.00 0.00 N flip ATOM 0 H HIS A 31 63.801 -72.478 49.859 1.00 0.00 H new ATOM 0 HA HIS A 31 63.651 -74.570 49.101 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.657 -74.416 48.571 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.528 -75.538 47.837 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.254 -74.828 45.752 1.00 0.00 H new ATOM 0 HE1 HIS A 31 65.134 -70.667 45.505 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.049 -72.692 44.365 1.00 0.00 H new ATOM 485 N ALA A 32 64.430 -75.103 51.706 1.00 0.00 N ATOM 486 CA ALA A 32 64.702 -75.962 52.852 1.00 0.00 C ATOM 487 C ALA A 32 63.791 -77.186 52.832 1.00 0.00 C ATOM 488 O ALA A 32 63.191 -77.507 51.806 1.00 0.00 O ATOM 489 CB ALA A 32 64.487 -75.184 54.152 1.00 0.00 C ATOM 0 H ALA A 32 63.734 -74.376 51.874 1.00 0.00 H new ATOM 0 HA ALA A 32 65.739 -76.294 52.796 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.692 -75.833 55.003 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.160 -74.327 54.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.455 -74.836 54.202 1.00 0.00 H new ATOM 495 N ARG A 33 63.692 -77.864 53.970 1.00 0.00 N ATOM 496 CA ARG A 33 62.837 -79.041 54.075 1.00 0.00 C ATOM 497 C ARG A 33 61.391 -78.631 54.334 1.00 0.00 C ATOM 498 O ARG A 33 60.482 -79.028 53.604 1.00 0.00 O ATOM 499 CB ARG A 33 63.325 -79.942 55.210 1.00 0.00 C ATOM 500 CG ARG A 33 64.791 -80.310 54.976 1.00 0.00 C ATOM 501 CD ARG A 33 64.871 -81.557 54.095 1.00 0.00 C ATOM 502 NE ARG A 33 64.101 -82.645 54.688 1.00 0.00 N ATOM 503 CZ ARG A 33 63.789 -83.728 53.984 1.00 0.00 C ATOM 504 NH1 ARG A 33 64.170 -83.831 52.740 1.00 0.00 N ATOM 505 NH2 ARG A 33 63.100 -84.689 54.538 1.00 0.00 N ATOM 0 H ARG A 33 64.189 -77.621 54.827 1.00 0.00 H new ATOM 0 HA ARG A 33 62.885 -79.587 53.133 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.216 -79.431 56.167 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.716 -80.845 55.259 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.313 -79.481 54.499 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.287 -80.493 55.929 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.489 -81.332 53.099 1.00 0.00 H new ATOM 0 HD3 ARG A 33 65.911 -81.861 53.976 1.00 0.00 H new ATOM 0 HE ARG A 33 63.797 -82.573 55.659 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.708 -83.080 52.307 1.00 0.00 H new ATOM 0 HH12 ARG A 33 63.930 -84.663 52.200 1.00 0.00 H new ATOM 0 HH21 ARG A 33 62.802 -84.608 55.510 1.00 0.00 H new ATOM 0 HH22 ARG A 33 62.860 -85.521 53.999 1.00 0.00 H new ATOM 519 N SER A 34 61.184 -77.834 55.378 1.00 0.00 N ATOM 520 CA SER A 34 59.845 -77.360 55.710 1.00 0.00 C ATOM 521 C SER A 34 59.839 -75.844 55.880 1.00 0.00 C ATOM 522 O SER A 34 59.415 -75.112 54.985 1.00 0.00 O ATOM 523 CB SER A 34 59.364 -78.022 57.002 1.00 0.00 C ATOM 524 OG SER A 34 59.046 -79.382 56.743 1.00 0.00 O ATOM 0 H SER A 34 61.919 -77.505 56.004 1.00 0.00 H new ATOM 0 HA SER A 34 59.173 -77.624 54.893 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.138 -77.957 57.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.489 -77.499 57.388 1.00 0.00 H new ATOM 0 HG SER A 34 59.563 -79.959 57.344 1.00 0.00 H new ATOM 530 N GLY A 35 60.310 -75.380 57.032 1.00 0.00 N ATOM 531 CA GLY A 35 60.377 -73.948 57.298 1.00 0.00 C ATOM 532 C GLY A 35 59.071 -73.446 57.906 1.00 0.00 C ATOM 533 O GLY A 35 58.439 -72.532 57.376 1.00 0.00 O ATOM 0 H GLY A 35 60.649 -75.970 57.792 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.203 -73.738 57.977 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.582 -73.411 56.372 1.00 0.00 H new ATOM 537 N GLU A 36 58.674 -74.049 59.021 1.00 0.00 N ATOM 538 CA GLU A 36 57.434 -73.664 59.687 1.00 0.00 C ATOM 539 C GLU A 36 57.619 -72.356 60.450 1.00 0.00 C ATOM 540 O GLU A 36 58.728 -71.829 60.538 1.00 0.00 O ATOM 541 CB GLU A 36 56.999 -74.766 60.655 1.00 0.00 C ATOM 542 CG GLU A 36 56.827 -76.080 59.890 1.00 0.00 C ATOM 543 CD GLU A 36 55.671 -75.961 58.903 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.862 -75.062 59.072 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.609 -76.770 57.991 1.00 0.00 O ATOM 0 H GLU A 36 59.188 -74.801 59.480 1.00 0.00 H new ATOM 0 HA GLU A 36 56.664 -73.522 58.929 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.742 -74.887 61.443 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.063 -74.490 61.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.747 -76.324 59.358 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.637 -76.895 60.589 1.00 0.00 H new ATOM 552 N CYS A 37 56.525 -71.840 61.003 1.00 0.00 N ATOM 553 CA CYS A 37 56.573 -70.579 61.733 1.00 0.00 C ATOM 554 C CYS A 37 57.041 -70.808 63.167 1.00 0.00 C ATOM 555 O CYS A 37 56.811 -71.872 63.742 1.00 0.00 O ATOM 556 CB CYS A 37 55.210 -69.913 61.838 1.00 0.00 C ATOM 557 SG CYS A 37 54.540 -69.601 60.186 1.00 0.00 S ATOM 0 H CYS A 37 55.602 -72.272 60.960 1.00 0.00 H new ATOM 0 HA CYS A 37 57.259 -69.943 61.173 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.528 -70.550 62.401 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.296 -68.975 62.387 1.00 0.00 H new ATOM 562 N PHE A 38 57.698 -69.804 63.738 1.00 0.00 N ATOM 563 CA PHE A 38 58.150 -69.890 65.121 1.00 0.00 C ATOM 564 C PHE A 38 58.073 -68.524 65.797 1.00 0.00 C ATOM 565 O PHE A 38 58.367 -67.499 65.182 1.00 0.00 O ATOM 566 CB PHE A 38 59.590 -70.404 65.169 1.00 0.00 C ATOM 567 CG PHE A 38 59.618 -71.858 64.762 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.681 -72.205 63.407 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.582 -72.859 65.740 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.707 -73.552 63.030 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.608 -74.208 65.362 1.00 0.00 C ATOM 572 CZ PHE A 38 59.671 -74.554 64.007 1.00 0.00 C ATOM 0 H PHE A 38 57.928 -68.928 63.269 1.00 0.00 H new ATOM 0 HA PHE A 38 57.499 -70.583 65.653 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.220 -69.816 64.502 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.996 -70.289 66.174 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.710 -71.433 62.653 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.534 -72.592 66.785 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.755 -73.819 61.985 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.579 -74.981 66.116 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.692 -75.594 63.715 1.00 0.00 H new ATOM 582 N TYR A 39 57.675 -68.519 67.065 1.00 0.00 N ATOM 583 CA TYR A 39 57.534 -67.271 67.805 1.00 0.00 C ATOM 584 C TYR A 39 58.870 -66.854 68.411 1.00 0.00 C ATOM 585 O TYR A 39 59.455 -67.584 69.212 1.00 0.00 O ATOM 586 CB TYR A 39 56.497 -67.439 68.919 1.00 0.00 C ATOM 587 CG TYR A 39 55.128 -67.624 68.308 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.843 -68.775 67.564 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.145 -66.644 68.488 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.574 -68.945 66.999 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.875 -66.815 67.923 1.00 0.00 C ATOM 592 CZ TYR A 39 52.589 -67.966 67.179 1.00 0.00 C ATOM 593 OH TYR A 39 51.338 -68.134 66.621 1.00 0.00 O ATOM 0 H TYR A 39 57.446 -69.358 67.598 1.00 0.00 H new ATOM 0 HA TYR A 39 57.203 -66.496 67.114 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.750 -68.299 69.539 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.502 -66.565 69.570 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.602 -69.531 67.426 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.366 -65.756 69.062 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.354 -69.832 66.424 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.116 -66.059 68.061 1.00 0.00 H new ATOM 0 HH TYR A 39 50.775 -67.363 66.843 1.00 0.00 H new ATOM 603 N ASP A 40 59.348 -65.675 68.023 1.00 0.00 N ATOM 604 CA ASP A 40 60.610 -65.164 68.546 1.00 0.00 C ATOM 605 C ASP A 40 60.361 -64.193 69.695 1.00 0.00 C ATOM 606 O ASP A 40 59.364 -64.303 70.409 1.00 0.00 O ATOM 607 CB ASP A 40 61.386 -64.454 67.434 1.00 0.00 C ATOM 608 CG ASP A 40 60.637 -63.200 66.994 1.00 0.00 C ATOM 609 OD1 ASP A 40 59.577 -62.945 67.541 1.00 0.00 O ATOM 610 OD2 ASP A 40 61.135 -62.514 66.118 1.00 0.00 O ATOM 0 H ASP A 40 58.885 -65.060 67.354 1.00 0.00 H new ATOM 0 HA ASP A 40 61.195 -66.005 68.918 1.00 0.00 H new ATOM 0 HB2 ASP A 40 62.382 -64.187 67.787 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.518 -65.125 66.585 1.00 0.00 H new ATOM 615 N GLU A 41 61.274 -63.243 69.869 1.00 0.00 N ATOM 616 CA GLU A 41 61.142 -62.256 70.935 1.00 0.00 C ATOM 617 C GLU A 41 60.157 -61.163 70.534 1.00 0.00 C ATOM 618 O GLU A 41 59.362 -60.699 71.351 1.00 0.00 O ATOM 619 CB GLU A 41 62.505 -61.630 71.239 1.00 0.00 C ATOM 620 CG GLU A 41 63.461 -62.711 71.748 1.00 0.00 C ATOM 621 CD GLU A 41 63.932 -63.579 70.588 1.00 0.00 C ATOM 622 OE1 GLU A 41 63.731 -63.177 69.453 1.00 0.00 O ATOM 623 OE2 GLU A 41 64.487 -64.634 70.850 1.00 0.00 O ATOM 0 H GLU A 41 62.107 -63.136 69.291 1.00 0.00 H new ATOM 0 HA GLU A 41 60.766 -62.759 71.826 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.911 -61.164 70.341 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.397 -60.844 71.986 1.00 0.00 H new ATOM 0 HG2 GLU A 41 64.318 -62.249 72.238 1.00 0.00 H new ATOM 0 HG3 GLU A 41 62.961 -63.328 72.495 1.00 0.00 H new ATOM 630 N LYS A 42 60.216 -60.755 69.270 1.00 0.00 N ATOM 631 CA LYS A 42 59.322 -59.716 68.771 1.00 0.00 C ATOM 632 C LYS A 42 57.891 -60.237 68.681 1.00 0.00 C ATOM 633 O LYS A 42 56.992 -59.532 68.223 1.00 0.00 O ATOM 634 CB LYS A 42 59.784 -59.248 67.389 1.00 0.00 C ATOM 635 CG LYS A 42 61.190 -58.655 67.495 1.00 0.00 C ATOM 636 CD LYS A 42 61.757 -58.430 66.092 1.00 0.00 C ATOM 637 CE LYS A 42 60.831 -57.497 65.310 1.00 0.00 C ATOM 638 NZ LYS A 42 60.345 -56.411 66.208 1.00 0.00 N ATOM 0 H LYS A 42 60.868 -61.124 68.578 1.00 0.00 H new ATOM 0 HA LYS A 42 59.348 -58.877 69.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.782 -60.085 66.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.092 -58.503 66.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.158 -57.712 68.041 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.838 -59.327 68.057 1.00 0.00 H new ATOM 0 HD2 LYS A 42 62.756 -57.998 66.157 1.00 0.00 H new ATOM 0 HD3 LYS A 42 61.855 -59.382 65.571 1.00 0.00 H new ATOM 0 HE2 LYS A 42 61.362 -57.070 64.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.986 -58.058 64.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.105 -55.573 65.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 59.500 -56.736 66.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 61.090 -56.165 66.890 1.00 0.00 H new ATOM 652 N ARG A 43 57.689 -61.474 69.121 1.00 0.00 N ATOM 653 CA ARG A 43 56.362 -62.077 69.092 1.00 0.00 C ATOM 654 C ARG A 43 55.796 -62.057 67.675 1.00 0.00 C ATOM 655 O ARG A 43 54.582 -61.981 67.482 1.00 0.00 O ATOM 656 CB ARG A 43 55.421 -61.318 70.029 1.00 0.00 C ATOM 657 CG ARG A 43 56.166 -60.956 71.316 1.00 0.00 C ATOM 658 CD ARG A 43 56.798 -62.214 71.911 1.00 0.00 C ATOM 659 NE ARG A 43 55.914 -63.360 71.725 1.00 0.00 N ATOM 660 CZ ARG A 43 55.934 -64.387 72.568 1.00 0.00 C ATOM 661 NH1 ARG A 43 56.754 -64.382 73.584 1.00 0.00 N ATOM 662 NH2 ARG A 43 55.134 -65.400 72.382 1.00 0.00 N ATOM 0 H ARG A 43 58.421 -62.075 69.499 1.00 0.00 H new ATOM 0 HA ARG A 43 56.447 -63.112 69.424 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.056 -60.414 69.541 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.549 -61.930 70.261 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.936 -60.214 71.106 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.478 -60.508 72.033 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.759 -62.406 71.435 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.992 -62.064 72.973 1.00 0.00 H new ATOM 0 HE ARG A 43 55.270 -63.373 70.934 1.00 0.00 H new ATOM 0 HH11 ARG A 43 57.379 -63.590 73.731 1.00 0.00 H new ATOM 0 HH12 ARG A 43 56.769 -65.170 74.231 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.492 -65.404 71.589 1.00 0.00 H new ATOM 0 HH22 ARG A 43 55.150 -66.188 73.029 1.00 0.00 H new ATOM 676 N ASN A 44 56.683 -62.124 66.687 1.00 0.00 N ATOM 677 CA ASN A 44 56.260 -62.123 65.293 1.00 0.00 C ATOM 678 C ASN A 44 56.563 -63.467 64.639 1.00 0.00 C ATOM 679 O ASN A 44 57.717 -63.892 64.577 1.00 0.00 O ATOM 680 CB ASN A 44 56.978 -61.008 64.529 1.00 0.00 C ATOM 681 CG ASN A 44 58.421 -61.415 64.250 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.079 -62.000 65.109 1.00 0.00 O ATOM 683 ND2 ASN A 44 58.954 -61.137 63.092 1.00 0.00 N ATOM 0 H ASN A 44 57.692 -62.179 66.825 1.00 0.00 H new ATOM 0 HA ASN A 44 55.184 -61.951 65.261 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.460 -60.806 63.591 1.00 0.00 H new ATOM 0 HB3 ASN A 44 56.957 -60.086 65.110 1.00 0.00 H new ATOM 0 HD21 ASN A 44 59.919 -61.405 62.897 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.406 -60.652 62.382 1.00 0.00 H new ATOM 690 N LEU A 45 55.520 -64.132 64.152 1.00 0.00 N ATOM 691 CA LEU A 45 55.688 -65.430 63.509 1.00 0.00 C ATOM 692 C LEU A 45 56.847 -65.391 62.518 1.00 0.00 C ATOM 693 O LEU A 45 56.811 -64.654 61.534 1.00 0.00 O ATOM 694 CB LEU A 45 54.401 -65.820 62.777 1.00 0.00 C ATOM 695 CG LEU A 45 53.191 -65.436 63.630 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.908 -65.876 62.923 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.287 -66.131 64.989 1.00 0.00 C ATOM 0 H LEU A 45 54.557 -63.797 64.190 1.00 0.00 H new ATOM 0 HA LEU A 45 55.908 -66.170 64.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.353 -65.317 61.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.394 -66.892 62.579 1.00 0.00 H new ATOM 0 HG LEU A 45 53.175 -64.356 63.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.046 -65.602 63.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.840 -65.383 61.953 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.923 -66.957 62.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.425 -65.859 65.599 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.303 -67.211 64.845 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.202 -65.819 65.493 1.00 0.00 H new ATOM 709 N GLN A 46 57.873 -66.193 62.785 1.00 0.00 N ATOM 710 CA GLN A 46 59.033 -66.251 61.904 1.00 0.00 C ATOM 711 C GLN A 46 59.194 -67.650 61.321 1.00 0.00 C ATOM 712 O GLN A 46 58.993 -68.649 62.012 1.00 0.00 O ATOM 713 CB GLN A 46 60.297 -65.870 62.679 1.00 0.00 C ATOM 714 CG GLN A 46 60.041 -64.589 63.476 1.00 0.00 C ATOM 715 CD GLN A 46 61.354 -63.850 63.709 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.501 -62.638 63.247 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.270 -64.390 64.329 1.00 0.00 N flip ATOM 0 H GLN A 46 57.925 -66.807 63.598 1.00 0.00 H new ATOM 0 HA GLN A 46 58.881 -65.545 61.087 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.581 -66.679 63.352 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.128 -65.722 61.990 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.344 -63.948 62.936 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.576 -64.832 64.431 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.153 -65.337 64.689 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.146 -63.890 64.483 1.00 0.00 H new ATOM 726 N CYS A 47 59.556 -67.716 60.043 1.00 0.00 N ATOM 727 CA CYS A 47 59.769 -69.000 59.384 1.00 0.00 C ATOM 728 C CYS A 47 61.196 -69.488 59.610 1.00 0.00 C ATOM 729 O CYS A 47 62.160 -68.798 59.278 1.00 0.00 O ATOM 730 CB CYS A 47 59.521 -68.882 57.879 1.00 0.00 C ATOM 731 SG CYS A 47 57.749 -68.713 57.554 1.00 0.00 S ATOM 0 H CYS A 47 59.707 -66.902 59.447 1.00 0.00 H new ATOM 0 HA CYS A 47 59.066 -69.714 59.814 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.056 -68.020 57.481 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.910 -69.763 57.368 1.00 0.00 H new ATOM 736 N ILE A 48 61.323 -70.685 60.176 1.00 0.00 N ATOM 737 CA ILE A 48 62.639 -71.253 60.449 1.00 0.00 C ATOM 738 C ILE A 48 62.942 -72.390 59.480 1.00 0.00 C ATOM 739 O ILE A 48 62.569 -73.538 59.717 1.00 0.00 O ATOM 740 CB ILE A 48 62.694 -71.778 61.885 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.595 -70.602 62.861 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.015 -72.514 62.109 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.731 -71.117 64.295 1.00 0.00 C ATOM 0 H ILE A 48 60.539 -71.275 60.452 1.00 0.00 H new ATOM 0 HA ILE A 48 63.386 -70.470 60.319 1.00 0.00 H new ATOM 0 HB ILE A 48 61.863 -72.463 62.053 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.377 -69.873 62.649 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.640 -70.091 62.736 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.054 -72.888 63.132 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.088 -73.350 61.414 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.846 -71.829 61.941 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.661 -70.280 64.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.933 -71.830 64.503 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.697 -71.608 64.415 1.00 0.00 H new ATOM 755 N CYS A 49 63.622 -72.062 58.386 1.00 0.00 N ATOM 756 CA CYS A 49 63.986 -73.068 57.393 1.00 0.00 C ATOM 757 C CYS A 49 64.870 -74.142 58.019 1.00 0.00 C ATOM 758 O CYS A 49 66.056 -73.918 58.263 1.00 0.00 O ATOM 759 CB CYS A 49 64.744 -72.409 56.233 1.00 0.00 C ATOM 760 SG CYS A 49 63.662 -72.249 54.791 1.00 0.00 S ATOM 0 H CYS A 49 63.930 -71.115 58.165 1.00 0.00 H new ATOM 0 HA CYS A 49 63.071 -73.528 57.021 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.105 -71.426 56.537 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.620 -73.005 55.976 1.00 0.00 H new ATOM 765 N ASP A 50 64.285 -75.307 58.276 1.00 0.00 N ATOM 766 CA ASP A 50 65.033 -76.411 58.867 1.00 0.00 C ATOM 767 C ASP A 50 65.688 -77.257 57.781 1.00 0.00 C ATOM 768 O ASP A 50 65.006 -77.905 56.988 1.00 0.00 O ATOM 769 CB ASP A 50 64.097 -77.287 59.703 1.00 0.00 C ATOM 770 CG ASP A 50 62.993 -77.860 58.822 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.260 -78.107 57.657 1.00 0.00 O ATOM 772 OD2 ASP A 50 61.896 -78.043 59.323 1.00 0.00 O ATOM 0 H ASP A 50 63.304 -75.511 58.086 1.00 0.00 H new ATOM 0 HA ASP A 50 65.811 -75.996 59.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.661 -78.097 60.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.661 -76.699 60.511 1.00 0.00 H new ATOM 777 N TYR A 51 67.017 -77.245 57.750 1.00 0.00 N ATOM 778 CA TYR A 51 67.756 -78.017 56.759 1.00 0.00 C ATOM 779 C TYR A 51 68.123 -79.390 57.312 1.00 0.00 C ATOM 780 O TYR A 51 69.302 -79.722 57.444 1.00 0.00 O ATOM 781 CB TYR A 51 69.029 -77.269 56.357 1.00 0.00 C ATOM 782 CG TYR A 51 68.698 -76.239 55.304 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.306 -74.950 55.684 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.781 -76.574 53.947 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.998 -73.995 54.708 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.474 -75.618 52.971 1.00 0.00 C ATOM 787 CZ TYR A 51 68.082 -74.330 53.351 1.00 0.00 C ATOM 788 OH TYR A 51 67.779 -73.388 52.388 1.00 0.00 O ATOM 0 H TYR A 51 67.600 -76.713 58.395 1.00 0.00 H new ATOM 0 HA TYR A 51 67.121 -78.150 55.883 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.469 -76.785 57.229 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.770 -77.971 55.974 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.241 -74.692 56.731 1.00 0.00 H new ATOM 0 HD2 TYR A 51 69.082 -77.569 53.653 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.696 -73.001 55.001 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.540 -75.875 51.924 1.00 0.00 H new ATOM 0 HH TYR A 51 67.265 -73.810 51.668 1.00 0.00 H new ATOM 798 N CYS A 52 67.107 -80.185 57.632 1.00 0.00 N ATOM 799 CA CYS A 52 67.337 -81.524 58.165 1.00 0.00 C ATOM 800 C CYS A 52 66.024 -82.293 58.266 1.00 0.00 C ATOM 801 O CYS A 52 64.977 -81.814 57.828 1.00 0.00 O ATOM 802 CB CYS A 52 67.984 -81.431 59.548 1.00 0.00 C ATOM 803 SG CYS A 52 69.780 -81.304 59.366 1.00 0.00 S ATOM 0 H CYS A 52 66.125 -79.929 57.533 1.00 0.00 H new ATOM 0 HA CYS A 52 68.005 -82.055 57.487 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.600 -80.563 60.083 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.729 -82.310 60.141 1.00 0.00 H new ATOM 808 N GLU A 53 66.087 -83.487 58.844 1.00 0.00 N ATOM 809 CA GLU A 53 64.895 -84.315 58.998 1.00 0.00 C ATOM 810 C GLU A 53 64.201 -84.015 60.323 1.00 0.00 C ATOM 811 O GLU A 53 64.361 -84.748 61.298 1.00 0.00 O ATOM 812 CB GLU A 53 65.277 -85.795 58.943 1.00 0.00 C ATOM 813 CG GLU A 53 65.955 -86.099 57.607 1.00 0.00 C ATOM 814 CD GLU A 53 64.975 -85.873 56.461 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.782 -85.885 56.717 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.432 -85.691 55.344 1.00 0.00 O ATOM 0 H GLU A 53 66.943 -83.902 59.211 1.00 0.00 H new ATOM 0 HA GLU A 53 64.209 -84.087 58.182 1.00 0.00 H new ATOM 0 HB2 GLU A 53 65.948 -86.039 59.767 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.388 -86.415 59.061 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.829 -85.460 57.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.309 -87.130 57.596 1.00 0.00 H new ATOM 823 N TYR A 54 63.432 -82.931 60.351 1.00 0.00 N ATOM 824 CA TYR A 54 62.715 -82.547 61.560 1.00 0.00 C ATOM 825 C TYR A 54 63.599 -82.732 62.789 1.00 0.00 C ATOM 826 CB TYR A 54 61.449 -83.393 61.708 1.00 0.00 C ATOM 827 CG TYR A 54 60.436 -82.972 60.670 1.00 0.00 C ATOM 828 CD1 TYR A 54 60.439 -83.574 59.406 1.00 0.00 C ATOM 829 CD2 TYR A 54 59.496 -81.980 60.971 1.00 0.00 C ATOM 830 CE1 TYR A 54 59.500 -83.184 58.443 1.00 0.00 C ATOM 831 CE2 TYR A 54 58.557 -81.589 60.008 1.00 0.00 C ATOM 832 CZ TYR A 54 58.559 -82.192 58.744 1.00 0.00 C ATOM 833 OH TYR A 54 57.633 -81.807 57.796 1.00 0.00 O ATOM 0 H TYR A 54 63.290 -82.308 59.556 1.00 0.00 H new ATOM 0 HA TYR A 54 62.441 -81.495 61.478 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.689 -84.450 61.589 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.033 -83.271 62.708 1.00 0.00 H new ATOM 0 HD1 TYR A 54 61.165 -84.339 59.174 1.00 0.00 H new ATOM 0 HD2 TYR A 54 59.495 -81.516 61.946 1.00 0.00 H new ATOM 0 HE1 TYR A 54 59.502 -83.649 57.468 1.00 0.00 H new ATOM 0 HE2 TYR A 54 57.832 -80.823 60.240 1.00 0.00 H new ATOM 0 HH TYR A 54 57.948 -80.999 57.340 1.00 0.00 H new TER 843 TYR A 54