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 44 ASN : amide:sc= -10.9! C(o=-15!,f=-16!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -4.03 F(o=-16,f=-15) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= -3! C(o=-3!,f=-5.1!) USER MOD Single : A 3 LYS NZ :NH3+ -107:sc= -0.0301 (180deg=-2.39!) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0973) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 48:sc= -3.72! USER MOD Single : A 10 ASN : amide:sc= -2.32! C(o=-2.3!,f=-6.6!) USER MOD Single : A 11 TYR OH : rot 175:sc= 0.627 USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= -0.102 (180deg=-0.156) USER MOD Single : A 20 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.9!) USER MOD Single : A 21 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= -10.6! C(o=-11!,f=-30!) 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= -0.208 F(o=-0.95,f=-0.21) USER MOD Single : A 34 SER OG : rot -159:sc= -0.407! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.0796 (180deg=-0.696) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 54 TYR OH : rot -102:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 70.872 -74.434 66.496 1.00 0.00 N ATOM 2 CA ASP A 2 70.219 -74.125 65.229 1.00 0.00 C ATOM 3 C ASP A 2 71.157 -74.410 64.060 1.00 0.00 C ATOM 4 O ASP A 2 71.378 -73.550 63.206 1.00 0.00 O ATOM 5 CB ASP A 2 69.798 -72.655 65.203 1.00 0.00 C ATOM 6 CG ASP A 2 68.650 -72.424 66.179 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.109 -73.402 66.669 1.00 0.00 O ATOM 8 OD2 ASP A 2 68.329 -71.273 66.424 1.00 0.00 O ATOM 0 HA ASP A 2 69.336 -74.756 65.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 70.644 -72.021 65.468 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.492 -72.374 64.195 1.00 0.00 H new ATOM 13 N LYS A 3 71.707 -75.619 64.029 1.00 0.00 N ATOM 14 CA LYS A 3 72.619 -76.005 62.960 1.00 0.00 C ATOM 15 C LYS A 3 71.883 -76.071 61.625 1.00 0.00 C ATOM 16 O LYS A 3 72.377 -75.584 60.608 1.00 0.00 O ATOM 17 CB LYS A 3 73.240 -77.368 63.269 1.00 0.00 C ATOM 18 CG LYS A 3 72.153 -78.324 63.763 1.00 0.00 C ATOM 19 CD LYS A 3 72.773 -79.688 64.074 1.00 0.00 C ATOM 20 CE LYS A 3 71.666 -80.693 64.398 1.00 0.00 C ATOM 21 NZ LYS A 3 70.748 -80.812 63.229 1.00 0.00 N ATOM 0 H LYS A 3 71.539 -76.344 64.727 1.00 0.00 H new ATOM 0 HA LYS A 3 73.406 -75.254 62.892 1.00 0.00 H new ATOM 0 HB2 LYS A 3 73.717 -77.773 62.376 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.017 -77.262 64.026 1.00 0.00 H new ATOM 0 HG2 LYS A 3 71.675 -77.918 64.655 1.00 0.00 H new ATOM 0 HG3 LYS A 3 71.376 -78.430 63.006 1.00 0.00 H new ATOM 0 HD2 LYS A 3 73.356 -80.036 63.222 1.00 0.00 H new ATOM 0 HD3 LYS A 3 73.459 -79.603 64.917 1.00 0.00 H new ATOM 0 HE2 LYS A 3 72.100 -81.665 64.634 1.00 0.00 H new ATOM 0 HE3 LYS A 3 71.111 -80.369 65.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 69.848 -80.338 63.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 71.185 -80.365 62.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 70.570 -81.817 63.028 1.00 0.00 H new ATOM 35 N CYS A 4 70.699 -76.676 61.638 1.00 0.00 N ATOM 36 CA CYS A 4 69.902 -76.797 60.422 1.00 0.00 C ATOM 37 C CYS A 4 68.811 -75.717 60.364 1.00 0.00 C ATOM 38 O CYS A 4 68.276 -75.421 59.296 1.00 0.00 O ATOM 39 CB CYS A 4 69.226 -78.169 60.375 1.00 0.00 C ATOM 40 SG CYS A 4 70.449 -79.455 60.731 1.00 0.00 S ATOM 0 H CYS A 4 70.273 -77.087 62.469 1.00 0.00 H new ATOM 0 HA CYS A 4 70.574 -76.674 59.573 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.415 -78.212 61.102 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.783 -78.335 59.393 1.00 0.00 H new ATOM 45 N LYS A 5 68.466 -75.168 61.524 1.00 0.00 N ATOM 46 CA LYS A 5 67.396 -74.180 61.600 1.00 0.00 C ATOM 47 C LYS A 5 67.885 -72.820 61.112 1.00 0.00 C ATOM 48 O LYS A 5 68.929 -72.332 61.546 1.00 0.00 O ATOM 49 CB LYS A 5 66.900 -74.058 63.043 1.00 0.00 C ATOM 50 CG LYS A 5 66.229 -75.368 63.465 1.00 0.00 C ATOM 51 CD LYS A 5 65.599 -75.197 64.848 1.00 0.00 C ATOM 52 CE LYS A 5 65.000 -76.528 65.305 1.00 0.00 C ATOM 53 NZ LYS A 5 63.764 -76.812 64.522 1.00 0.00 N ATOM 0 H LYS A 5 68.907 -75.388 62.417 1.00 0.00 H new ATOM 0 HA LYS A 5 66.577 -74.509 60.960 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.734 -73.834 63.708 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.194 -73.232 63.127 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.466 -75.649 62.739 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.962 -76.174 63.485 1.00 0.00 H new ATOM 0 HD2 LYS A 5 66.350 -74.860 65.562 1.00 0.00 H new ATOM 0 HD3 LYS A 5 64.825 -74.430 64.814 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.724 -77.331 65.166 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.768 -76.488 66.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.265 -77.622 64.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.143 -75.978 64.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.019 -77.035 63.539 1.00 0.00 H new ATOM 67 N LYS A 6 67.125 -72.213 60.207 1.00 0.00 N ATOM 68 CA LYS A 6 67.465 -70.888 59.702 1.00 0.00 C ATOM 69 C LYS A 6 66.293 -69.928 59.880 1.00 0.00 C ATOM 70 O LYS A 6 65.255 -70.074 59.235 1.00 0.00 O ATOM 71 CB LYS A 6 67.835 -70.972 58.219 1.00 0.00 C ATOM 72 CG LYS A 6 68.935 -72.018 58.025 1.00 0.00 C ATOM 73 CD LYS A 6 70.302 -71.363 58.226 1.00 0.00 C ATOM 74 CE LYS A 6 70.740 -70.683 56.928 1.00 0.00 C ATOM 75 NZ LYS A 6 71.623 -69.525 57.246 1.00 0.00 N ATOM 0 H LYS A 6 66.275 -72.614 59.810 1.00 0.00 H new ATOM 0 HA LYS A 6 68.317 -70.513 60.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 66.958 -71.238 57.629 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.176 -70.000 57.863 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.804 -72.835 58.734 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.870 -72.449 57.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.251 -70.632 59.033 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.036 -72.113 58.521 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.269 -71.394 56.293 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.867 -70.345 56.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 71.921 -69.063 56.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.103 -68.844 57.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.462 -69.859 57.762 1.00 0.00 H new ATOM 89 N VAL A 7 66.466 -68.947 60.760 1.00 0.00 N ATOM 90 CA VAL A 7 65.391 -68.011 61.066 1.00 0.00 C ATOM 91 C VAL A 7 65.202 -67.022 59.920 1.00 0.00 C ATOM 92 O VAL A 7 66.170 -66.464 59.404 1.00 0.00 O ATOM 93 CB VAL A 7 65.711 -67.250 62.353 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.579 -66.268 62.661 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.852 -68.242 63.510 1.00 0.00 C ATOM 0 H VAL A 7 67.333 -68.780 61.270 1.00 0.00 H new ATOM 0 HA VAL A 7 64.469 -68.576 61.200 1.00 0.00 H new ATOM 0 HB VAL A 7 66.644 -66.701 62.227 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.807 -65.726 63.579 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.476 -65.561 61.838 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.646 -66.817 62.787 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.080 -67.700 64.428 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.918 -68.790 63.635 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.658 -68.943 63.292 1.00 0.00 H new ATOM 105 N TYR A 8 63.951 -66.810 59.528 1.00 0.00 N ATOM 106 CA TYR A 8 63.642 -65.842 58.482 1.00 0.00 C ATOM 107 C TYR A 8 63.550 -64.434 59.065 1.00 0.00 C ATOM 108 O TYR A 8 62.918 -64.221 60.100 1.00 0.00 O ATOM 109 CB TYR A 8 62.318 -66.205 57.807 1.00 0.00 C ATOM 110 CG TYR A 8 62.593 -66.993 56.550 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.438 -68.108 56.594 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.004 -66.608 55.340 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.693 -68.840 55.427 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.259 -67.339 54.174 1.00 0.00 C ATOM 115 CZ TYR A 8 63.104 -68.455 54.217 1.00 0.00 C ATOM 116 OH TYR A 8 63.355 -69.175 53.067 1.00 0.00 O ATOM 0 H TYR A 8 63.139 -67.291 59.915 1.00 0.00 H new ATOM 0 HA TYR A 8 64.443 -65.866 57.743 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.699 -66.790 58.487 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.760 -65.300 57.567 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.893 -68.404 57.527 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.353 -65.747 55.306 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.344 -69.701 55.461 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.804 -67.042 53.241 1.00 0.00 H new ATOM 0 HH TYR A 8 63.240 -70.131 53.248 1.00 0.00 H new ATOM 126 N GLU A 9 64.184 -63.479 58.394 1.00 0.00 N ATOM 127 CA GLU A 9 64.153 -62.092 58.847 1.00 0.00 C ATOM 128 C GLU A 9 63.444 -61.210 57.825 1.00 0.00 C ATOM 129 O GLU A 9 63.688 -61.316 56.622 1.00 0.00 O ATOM 130 CB GLU A 9 65.579 -61.581 59.061 1.00 0.00 C ATOM 131 CG GLU A 9 66.230 -62.349 60.213 1.00 0.00 C ATOM 132 CD GLU A 9 65.535 -62.005 61.526 1.00 0.00 C ATOM 133 OE1 GLU A 9 64.829 -61.011 61.557 1.00 0.00 O ATOM 134 OE2 GLU A 9 65.718 -62.742 62.482 1.00 0.00 O ATOM 0 H GLU A 9 64.722 -63.637 57.542 1.00 0.00 H new ATOM 0 HA GLU A 9 63.606 -62.050 59.789 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.163 -61.708 58.149 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.565 -60.514 59.284 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.166 -63.421 60.028 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.289 -62.099 60.276 1.00 0.00 H new ATOM 141 N ASN A 10 62.564 -60.340 58.311 1.00 0.00 N ATOM 142 CA ASN A 10 61.838 -59.431 57.432 1.00 0.00 C ATOM 143 C ASN A 10 60.862 -60.203 56.549 1.00 0.00 C ATOM 144 O ASN A 10 60.953 -60.161 55.322 1.00 0.00 O ATOM 145 CB ASN A 10 62.823 -58.657 56.553 1.00 0.00 C ATOM 146 CG ASN A 10 64.043 -58.250 57.371 1.00 0.00 C ATOM 147 OD1 ASN A 10 64.090 -58.489 58.578 1.00 0.00 O ATOM 148 ND2 ASN A 10 65.039 -57.646 56.784 1.00 0.00 N ATOM 0 H ASN A 10 62.338 -60.246 59.301 1.00 0.00 H new ATOM 0 HA ASN A 10 61.275 -58.731 58.049 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.131 -59.273 55.708 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.338 -57.771 56.142 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.859 -57.371 57.325 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.998 -57.449 55.784 1.00 0.00 H new ATOM 155 N TYR A 11 59.929 -60.905 57.182 1.00 0.00 N ATOM 156 CA TYR A 11 58.916 -61.651 56.444 1.00 0.00 C ATOM 157 C TYR A 11 57.526 -61.365 57.006 1.00 0.00 C ATOM 158 O TYR A 11 57.374 -61.052 58.186 1.00 0.00 O ATOM 159 CB TYR A 11 59.205 -63.151 56.531 1.00 0.00 C ATOM 160 CG TYR A 11 60.050 -63.569 55.350 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.392 -63.178 55.278 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.493 -64.348 54.330 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.177 -63.564 54.185 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.277 -64.735 53.237 1.00 0.00 C ATOM 165 CZ TYR A 11 61.619 -64.343 53.165 1.00 0.00 C ATOM 166 OH TYR A 11 62.392 -64.726 52.087 1.00 0.00 O ATOM 0 H TYR A 11 59.853 -60.973 58.197 1.00 0.00 H new ATOM 0 HA TYR A 11 58.947 -61.336 55.401 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.724 -63.379 57.462 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.271 -63.713 56.541 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.822 -62.578 56.066 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.458 -64.651 54.386 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.212 -63.261 54.129 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.847 -65.336 52.449 1.00 0.00 H new ATOM 0 HH TYR A 11 61.876 -65.330 51.513 1.00 0.00 H new ATOM 176 N PRO A 12 56.522 -61.467 56.179 1.00 0.00 N ATOM 177 CA PRO A 12 55.113 -61.197 56.584 1.00 0.00 C ATOM 178 C PRO A 12 54.605 -62.206 57.610 1.00 0.00 C ATOM 179 O PRO A 12 54.634 -63.414 57.375 1.00 0.00 O ATOM 180 CB PRO A 12 54.306 -61.310 55.254 1.00 0.00 C ATOM 181 CG PRO A 12 55.174 -62.112 54.342 1.00 0.00 C ATOM 182 CD PRO A 12 56.622 -61.852 54.764 1.00 0.00 C ATOM 0 HA PRO A 12 55.012 -60.224 57.065 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.345 -61.799 55.416 1.00 0.00 H new ATOM 0 HB3 PRO A 12 54.096 -60.326 54.835 1.00 0.00 H new ATOM 0 HG2 PRO A 12 54.935 -63.173 54.415 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.016 -61.821 53.304 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.240 -62.741 54.636 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.075 -61.060 54.167 1.00 0.00 H new ATOM 190 N VAL A 13 54.139 -61.702 58.748 1.00 0.00 N ATOM 191 CA VAL A 13 53.616 -62.567 59.799 1.00 0.00 C ATOM 192 C VAL A 13 52.212 -63.050 59.445 1.00 0.00 C ATOM 193 O VAL A 13 51.888 -64.224 59.620 1.00 0.00 O ATOM 194 CB VAL A 13 53.577 -61.811 61.127 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.962 -61.235 61.428 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.562 -60.670 61.033 1.00 0.00 C ATOM 0 H VAL A 13 54.113 -60.706 58.965 1.00 0.00 H new ATOM 0 HA VAL A 13 54.273 -63.431 59.893 1.00 0.00 H new ATOM 0 HB VAL A 13 53.286 -62.494 61.925 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.934 -60.696 62.375 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.687 -62.046 61.494 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.253 -60.552 60.630 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.533 -60.130 61.979 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.854 -59.988 60.235 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.575 -61.078 60.818 1.00 0.00 H new ATOM 206 N SER A 14 51.385 -62.136 58.947 1.00 0.00 N ATOM 207 CA SER A 14 50.015 -62.478 58.587 1.00 0.00 C ATOM 208 C SER A 14 49.987 -63.717 57.700 1.00 0.00 C ATOM 209 O SER A 14 49.112 -64.571 57.837 1.00 0.00 O ATOM 210 CB SER A 14 49.363 -61.307 57.849 1.00 0.00 C ATOM 211 OG SER A 14 47.969 -61.555 57.716 1.00 0.00 O ATOM 0 H SER A 14 51.637 -61.161 58.785 1.00 0.00 H new ATOM 0 HA SER A 14 49.460 -62.687 59.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.529 -60.379 58.397 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.818 -61.183 56.866 1.00 0.00 H new ATOM 0 HG SER A 14 47.547 -60.806 57.245 1.00 0.00 H new ATOM 217 N LYS A 15 50.953 -63.811 56.791 1.00 0.00 N ATOM 218 CA LYS A 15 51.031 -64.953 55.888 1.00 0.00 C ATOM 219 C LYS A 15 51.490 -66.198 56.640 1.00 0.00 C ATOM 220 O LYS A 15 51.106 -67.317 56.301 1.00 0.00 O ATOM 221 CB LYS A 15 52.007 -64.652 54.749 1.00 0.00 C ATOM 222 CG LYS A 15 51.419 -63.569 53.843 1.00 0.00 C ATOM 223 CD LYS A 15 52.250 -63.466 52.563 1.00 0.00 C ATOM 224 CE LYS A 15 51.758 -62.283 51.728 1.00 0.00 C ATOM 225 NZ LYS A 15 52.230 -61.010 52.343 1.00 0.00 N ATOM 0 H LYS A 15 51.687 -63.115 56.661 1.00 0.00 H new ATOM 0 HA LYS A 15 50.039 -65.136 55.476 1.00 0.00 H new ATOM 0 HB2 LYS A 15 52.964 -64.322 55.154 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.200 -65.557 54.173 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.384 -63.807 53.599 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.411 -62.611 54.362 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.304 -63.337 52.810 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.168 -64.389 51.989 1.00 0.00 H new ATOM 0 HE2 LYS A 15 52.130 -62.366 50.707 1.00 0.00 H new ATOM 0 HE3 LYS A 15 50.669 -62.291 51.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 52.477 -60.333 51.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 51.475 -60.610 52.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.068 -61.198 52.929 1.00 0.00 H new ATOM 239 N CYS A 16 52.316 -65.994 57.661 1.00 0.00 N ATOM 240 CA CYS A 16 52.821 -67.108 58.456 1.00 0.00 C ATOM 241 C CYS A 16 51.684 -67.786 59.214 1.00 0.00 C ATOM 242 O CYS A 16 51.874 -68.833 59.832 1.00 0.00 O ATOM 243 CB CYS A 16 53.871 -66.608 59.449 1.00 0.00 C ATOM 244 SG CYS A 16 55.277 -67.747 59.466 1.00 0.00 S ATOM 0 H CYS A 16 52.648 -65.076 57.956 1.00 0.00 H new ATOM 0 HA CYS A 16 53.275 -67.833 57.781 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.203 -65.608 59.171 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.437 -66.534 60.446 1.00 0.00 H new ATOM 249 N GLN A 17 50.501 -67.182 59.159 1.00 0.00 N ATOM 250 CA GLN A 17 49.338 -67.738 59.841 1.00 0.00 C ATOM 251 C GLN A 17 48.952 -69.082 59.230 1.00 0.00 C ATOM 252 O GLN A 17 48.094 -69.790 59.755 1.00 0.00 O ATOM 253 CB GLN A 17 48.159 -66.770 59.736 1.00 0.00 C ATOM 254 CG GLN A 17 47.617 -66.777 58.305 1.00 0.00 C ATOM 255 CD GLN A 17 46.703 -65.576 58.089 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.920 -64.515 58.675 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.686 -65.680 57.277 1.00 0.00 N ATOM 0 H GLN A 17 50.323 -66.314 58.653 1.00 0.00 H new ATOM 0 HA GLN A 17 49.592 -67.888 60.890 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.374 -67.060 60.435 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.475 -65.764 60.011 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.443 -66.749 57.594 1.00 0.00 H new ATOM 0 HG3 GLN A 17 47.068 -67.700 58.119 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.508 -66.560 56.793 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.069 -64.881 57.127 1.00 0.00 H new ATOM 266 N LEU A 18 49.593 -69.425 58.117 1.00 0.00 N ATOM 267 CA LEU A 18 49.323 -70.695 57.452 1.00 0.00 C ATOM 268 C LEU A 18 50.593 -71.536 57.367 1.00 0.00 C ATOM 269 O LEU A 18 51.415 -71.346 56.471 1.00 0.00 O ATOM 270 CB LEU A 18 48.781 -70.442 56.045 1.00 0.00 C ATOM 271 CG LEU A 18 47.272 -70.196 56.115 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.843 -69.308 54.946 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.535 -71.535 56.035 1.00 0.00 C ATOM 0 H LEU A 18 50.298 -68.847 57.660 1.00 0.00 H new ATOM 0 HA LEU A 18 48.580 -71.239 58.035 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.280 -69.581 55.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.991 -71.298 55.404 1.00 0.00 H new ATOM 0 HG LEU A 18 47.028 -69.700 57.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.768 -69.134 54.997 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.368 -68.355 55.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 47.086 -69.802 54.005 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.460 -71.362 56.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.780 -72.030 55.095 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.840 -72.168 56.868 1.00 0.00 H new ATOM 285 N ALA A 19 50.745 -72.464 58.305 1.00 0.00 N ATOM 286 CA ALA A 19 51.919 -73.329 58.327 1.00 0.00 C ATOM 287 C ALA A 19 52.214 -73.870 56.932 1.00 0.00 C ATOM 288 O ALA A 19 53.277 -74.442 56.690 1.00 0.00 O ATOM 289 CB ALA A 19 51.692 -74.495 59.291 1.00 0.00 C ATOM 0 H ALA A 19 50.076 -72.636 59.055 1.00 0.00 H new ATOM 0 HA ALA A 19 52.773 -72.741 58.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.574 -75.136 59.301 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.513 -74.108 60.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.827 -75.073 58.966 1.00 0.00 H new ATOM 295 N ASN A 20 51.267 -73.687 56.018 1.00 0.00 N ATOM 296 CA ASN A 20 51.440 -74.156 54.649 1.00 0.00 C ATOM 297 C ASN A 20 52.198 -73.124 53.819 1.00 0.00 C ATOM 298 O ASN A 20 53.056 -73.474 53.009 1.00 0.00 O ATOM 299 CB ASN A 20 50.075 -74.422 54.012 1.00 0.00 C ATOM 300 CG ASN A 20 49.447 -75.669 54.623 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.147 -76.487 55.221 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.162 -75.866 54.510 1.00 0.00 N ATOM 0 H ASN A 20 50.378 -73.221 56.199 1.00 0.00 H new ATOM 0 HA ASN A 20 52.017 -75.081 54.673 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.420 -73.564 54.164 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.186 -74.551 52.935 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.736 -76.698 54.917 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.584 -75.188 54.014 1.00 0.00 H new ATOM 309 N GLN A 21 51.874 -71.852 54.026 1.00 0.00 N ATOM 310 CA GLN A 21 52.536 -70.776 53.296 1.00 0.00 C ATOM 311 C GLN A 21 53.957 -70.572 53.811 1.00 0.00 C ATOM 312 O GLN A 21 54.894 -70.415 53.030 1.00 0.00 O ATOM 313 CB GLN A 21 51.744 -69.476 53.451 1.00 0.00 C ATOM 314 CG GLN A 21 50.475 -69.546 52.600 1.00 0.00 C ATOM 315 CD GLN A 21 50.836 -69.483 51.120 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.416 -68.497 50.663 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.525 -70.481 50.338 1.00 0.00 N ATOM 0 H GLN A 21 51.163 -71.542 54.688 1.00 0.00 H new ATOM 0 HA GLN A 21 52.580 -71.052 52.242 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.484 -69.319 54.498 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.354 -68.627 53.143 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.935 -70.469 52.812 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.810 -68.722 52.856 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.045 -71.297 50.718 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.762 -70.445 49.347 1.00 0.00 H new ATOM 326 N CYS A 22 54.107 -70.573 55.132 1.00 0.00 N ATOM 327 CA CYS A 22 55.415 -70.367 55.744 1.00 0.00 C ATOM 328 C CYS A 22 56.418 -71.396 55.230 1.00 0.00 C ATOM 329 O CYS A 22 57.447 -71.041 54.655 1.00 0.00 O ATOM 330 CB CYS A 22 55.303 -70.477 57.264 1.00 0.00 C ATOM 331 SG CYS A 22 56.960 -70.471 57.995 1.00 0.00 S ATOM 0 H CYS A 22 53.345 -70.713 55.795 1.00 0.00 H new ATOM 0 HA CYS A 22 55.766 -69.370 55.476 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.718 -69.646 57.657 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.778 -71.393 57.535 1.00 0.00 H new ATOM 336 N ASN A 23 56.111 -72.672 55.442 1.00 0.00 N ATOM 337 CA ASN A 23 57.005 -73.744 55.018 1.00 0.00 C ATOM 338 C ASN A 23 57.253 -73.675 53.515 1.00 0.00 C ATOM 339 O ASN A 23 58.387 -73.819 53.057 1.00 0.00 O ATOM 340 CB ASN A 23 56.397 -75.102 55.375 1.00 0.00 C ATOM 341 CG ASN A 23 54.971 -75.190 54.842 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.308 -74.167 54.667 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.455 -76.359 54.573 1.00 0.00 N ATOM 0 H ASN A 23 55.257 -72.987 55.901 1.00 0.00 H new ATOM 0 HA ASN A 23 57.956 -73.623 55.536 1.00 0.00 H new ATOM 0 HB2 ASN A 23 57.002 -75.904 54.952 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.399 -75.238 56.456 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.501 -76.426 54.217 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.006 -77.205 54.719 1.00 0.00 H new ATOM 350 N TYR A 24 56.187 -73.456 52.753 1.00 0.00 N ATOM 351 CA TYR A 24 56.305 -73.350 51.303 1.00 0.00 C ATOM 352 C TYR A 24 57.220 -72.190 50.921 1.00 0.00 C ATOM 353 O TYR A 24 58.186 -72.367 50.179 1.00 0.00 O ATOM 354 CB TYR A 24 54.924 -73.138 50.681 1.00 0.00 C ATOM 355 CG TYR A 24 54.321 -74.476 50.325 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.135 -75.446 51.317 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.948 -74.745 49.003 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.575 -76.685 50.987 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.389 -75.986 48.673 1.00 0.00 C ATOM 360 CZ TYR A 24 53.202 -76.956 49.665 1.00 0.00 C ATOM 361 OH TYR A 24 52.651 -78.179 49.339 1.00 0.00 O ATOM 0 H TYR A 24 55.238 -73.349 53.112 1.00 0.00 H new ATOM 0 HA TYR A 24 56.736 -74.277 50.925 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.276 -72.610 51.380 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.006 -72.516 49.790 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.424 -75.238 52.337 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.091 -73.996 48.238 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.430 -77.433 51.753 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.102 -76.195 47.653 1.00 0.00 H new ATOM 0 HH TYR A 24 52.448 -78.201 48.380 1.00 0.00 H new ATOM 371 N ASP A 25 56.907 -71.003 51.431 1.00 0.00 N ATOM 372 CA ASP A 25 57.703 -69.819 51.130 1.00 0.00 C ATOM 373 C ASP A 25 59.165 -70.040 51.505 1.00 0.00 C ATOM 374 O ASP A 25 60.070 -69.653 50.766 1.00 0.00 O ATOM 375 CB ASP A 25 57.156 -68.613 51.897 1.00 0.00 C ATOM 376 CG ASP A 25 55.776 -68.239 51.364 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.397 -68.770 50.335 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.120 -67.427 51.995 1.00 0.00 O ATOM 0 H ASP A 25 56.114 -70.836 52.050 1.00 0.00 H new ATOM 0 HA ASP A 25 57.641 -69.629 50.058 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.094 -68.845 52.960 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.836 -67.767 51.795 1.00 0.00 H new ATOM 383 N CYS A 26 59.388 -70.664 52.657 1.00 0.00 N ATOM 384 CA CYS A 26 60.746 -70.927 53.122 1.00 0.00 C ATOM 385 C CYS A 26 61.546 -71.664 52.053 1.00 0.00 C ATOM 386 O CYS A 26 62.662 -71.269 51.716 1.00 0.00 O ATOM 387 CB CYS A 26 60.706 -71.764 54.401 1.00 0.00 C ATOM 388 SG CYS A 26 62.038 -71.237 55.507 1.00 0.00 S ATOM 0 H CYS A 26 58.653 -70.995 53.282 1.00 0.00 H new ATOM 0 HA CYS A 26 61.231 -69.973 53.327 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.741 -71.648 54.895 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.815 -72.821 54.160 1.00 0.00 H new ATOM 393 N LYS A 27 60.971 -72.740 51.526 1.00 0.00 N ATOM 394 CA LYS A 27 61.644 -73.529 50.500 1.00 0.00 C ATOM 395 C LYS A 27 61.791 -72.724 49.212 1.00 0.00 C ATOM 396 O LYS A 27 62.881 -72.637 48.646 1.00 0.00 O ATOM 397 CB LYS A 27 60.847 -74.804 50.218 1.00 0.00 C ATOM 398 CG LYS A 27 60.633 -75.573 51.523 1.00 0.00 C ATOM 399 CD LYS A 27 59.623 -76.698 51.294 1.00 0.00 C ATOM 400 CE LYS A 27 60.204 -77.713 50.308 1.00 0.00 C ATOM 401 NZ LYS A 27 59.468 -79.004 50.432 1.00 0.00 N ATOM 0 H LYS A 27 60.048 -73.084 51.790 1.00 0.00 H new ATOM 0 HA LYS A 27 62.637 -73.792 50.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.886 -74.553 49.770 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.380 -75.427 49.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.579 -75.985 51.873 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.272 -74.899 52.300 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.387 -77.187 52.239 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.690 -76.290 50.905 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.124 -77.333 49.289 1.00 0.00 H new ATOM 0 HE3 LYS A 27 61.264 -77.866 50.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.863 -79.694 49.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.566 -79.368 51.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.461 -78.852 50.219 1.00 0.00 H new ATOM 415 N LEU A 28 60.691 -72.139 48.756 1.00 0.00 N ATOM 416 CA LEU A 28 60.704 -71.367 47.518 1.00 0.00 C ATOM 417 C LEU A 28 61.766 -70.274 47.577 1.00 0.00 C ATOM 418 O LEU A 28 62.309 -69.867 46.550 1.00 0.00 O ATOM 419 CB LEU A 28 59.332 -70.735 47.281 1.00 0.00 C ATOM 420 CG LEU A 28 58.285 -71.837 47.110 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.884 -71.241 47.268 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.420 -72.456 45.717 1.00 0.00 C ATOM 0 H LEU A 28 59.784 -72.183 49.220 1.00 0.00 H new ATOM 0 HA LEU A 28 60.940 -72.042 46.695 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.066 -70.093 48.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.359 -70.104 46.393 1.00 0.00 H new ATOM 0 HG LEU A 28 58.440 -72.605 47.867 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.138 -72.027 47.146 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.786 -70.799 48.260 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.728 -70.472 46.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.674 -73.241 45.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.265 -71.687 44.960 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.417 -72.881 45.603 1.00 0.00 H new ATOM 434 N ASP A 29 62.058 -69.804 48.785 1.00 0.00 N ATOM 435 CA ASP A 29 63.028 -68.729 48.961 1.00 0.00 C ATOM 436 C ASP A 29 64.411 -69.298 49.263 1.00 0.00 C ATOM 437 O ASP A 29 65.393 -68.951 48.606 1.00 0.00 O ATOM 438 CB ASP A 29 62.590 -67.812 50.103 1.00 0.00 C ATOM 439 CG ASP A 29 61.295 -67.097 49.731 1.00 0.00 C ATOM 440 OD1 ASP A 29 60.964 -67.087 48.557 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.655 -66.569 50.625 1.00 0.00 O ATOM 0 H ASP A 29 61.641 -70.147 49.650 1.00 0.00 H new ATOM 0 HA ASP A 29 63.079 -68.156 48.035 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.445 -68.395 51.013 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.371 -67.081 50.313 1.00 0.00 H new ATOM 446 N LYS A 30 64.479 -70.174 50.260 1.00 0.00 N ATOM 447 CA LYS A 30 65.760 -70.721 50.696 1.00 0.00 C ATOM 448 C LYS A 30 65.897 -72.177 50.261 1.00 0.00 C ATOM 449 O LYS A 30 66.997 -72.730 50.247 1.00 0.00 O ATOM 450 CB LYS A 30 65.876 -70.628 52.218 1.00 0.00 C ATOM 451 CG LYS A 30 65.911 -69.158 52.639 1.00 0.00 C ATOM 452 CD LYS A 30 67.348 -68.636 52.554 1.00 0.00 C ATOM 453 CE LYS A 30 67.418 -67.232 53.156 1.00 0.00 C ATOM 454 NZ LYS A 30 68.844 -66.815 53.279 1.00 0.00 N ATOM 0 H LYS A 30 63.670 -70.518 50.778 1.00 0.00 H new ATOM 0 HA LYS A 30 66.558 -70.139 50.235 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.032 -71.132 52.689 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.779 -71.136 52.556 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.260 -68.568 51.994 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.534 -69.051 53.656 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.022 -69.306 53.088 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.677 -68.614 51.515 1.00 0.00 H new ATOM 0 HE2 LYS A 30 66.875 -66.527 52.526 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.939 -67.220 54.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 68.892 -65.860 53.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.349 -67.482 53.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.287 -66.811 52.338 1.00 0.00 H new ATOM 468 N HIS A 31 64.773 -72.791 49.904 1.00 0.00 N ATOM 469 CA HIS A 31 64.783 -74.178 49.454 1.00 0.00 C ATOM 470 C HIS A 31 65.200 -75.108 50.590 1.00 0.00 C ATOM 471 O HIS A 31 66.131 -75.900 50.446 1.00 0.00 O ATOM 472 CB HIS A 31 65.749 -74.340 48.280 1.00 0.00 C ATOM 473 CG HIS A 31 65.401 -73.347 47.204 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.636 -71.999 47.090 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.719 -73.712 46.055 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 65.108 -71.532 45.889 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.567 -72.605 45.305 1.00 0.00 N flip ATOM 0 H HIS A 31 63.851 -72.354 49.917 1.00 0.00 H new ATOM 0 HA HIS A 31 63.775 -74.443 49.134 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.775 -74.185 48.615 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.692 -75.355 47.886 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.372 -74.704 45.806 1.00 0.00 H new ATOM 0 HE1 HIS A 31 65.131 -70.521 45.511 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.096 -72.587 44.400 1.00 0.00 H new ATOM 485 N ALA A 32 64.504 -75.006 51.717 1.00 0.00 N ATOM 486 CA ALA A 32 64.788 -75.869 52.858 1.00 0.00 C ATOM 487 C ALA A 32 63.886 -77.098 52.836 1.00 0.00 C ATOM 488 O ALA A 32 63.304 -77.434 51.805 1.00 0.00 O ATOM 489 CB ALA A 32 64.573 -75.099 54.163 1.00 0.00 C ATOM 0 H ALA A 32 63.745 -74.340 51.865 1.00 0.00 H new ATOM 0 HA ALA A 32 65.827 -76.193 52.795 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.787 -75.751 55.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.240 -74.237 54.191 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.539 -74.760 54.219 1.00 0.00 H new ATOM 495 N ARG A 33 63.775 -77.765 53.980 1.00 0.00 N ATOM 496 CA ARG A 33 62.922 -78.943 54.085 1.00 0.00 C ATOM 497 C ARG A 33 61.471 -78.535 54.322 1.00 0.00 C ATOM 498 O ARG A 33 60.575 -78.929 53.575 1.00 0.00 O ATOM 499 CB ARG A 33 63.397 -79.832 55.236 1.00 0.00 C ATOM 500 CG ARG A 33 64.888 -80.132 55.067 1.00 0.00 C ATOM 501 CD ARG A 33 65.064 -81.374 54.191 1.00 0.00 C ATOM 502 NE ARG A 33 66.421 -81.429 53.661 1.00 0.00 N ATOM 503 CZ ARG A 33 66.835 -80.563 52.741 1.00 0.00 C ATOM 504 NH1 ARG A 33 66.022 -79.644 52.297 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.055 -80.632 52.281 1.00 0.00 N ATOM 0 H ARG A 33 64.261 -77.513 54.841 1.00 0.00 H new ATOM 0 HA ARG A 33 62.984 -79.497 53.148 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.221 -79.335 56.190 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.828 -80.761 55.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.392 -79.279 54.612 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.350 -80.293 56.041 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.857 -82.271 54.774 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.346 -81.354 53.371 1.00 0.00 H new ATOM 0 HE ARG A 33 67.064 -82.144 54.002 1.00 0.00 H new ATOM 0 HH11 ARG A 33 65.069 -79.590 52.656 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.340 -78.980 51.591 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.691 -81.350 52.627 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.372 -79.967 51.575 1.00 0.00 H new ATOM 519 N SER A 34 61.245 -77.744 55.367 1.00 0.00 N ATOM 520 CA SER A 34 59.903 -77.266 55.674 1.00 0.00 C ATOM 521 C SER A 34 59.904 -75.752 55.867 1.00 0.00 C ATOM 522 O SER A 34 59.507 -75.002 54.976 1.00 0.00 O ATOM 523 CB SER A 34 59.384 -77.943 56.942 1.00 0.00 C ATOM 524 OG SER A 34 60.364 -77.835 57.967 1.00 0.00 O ATOM 0 H SER A 34 61.968 -77.423 56.010 1.00 0.00 H new ATOM 0 HA SER A 34 59.250 -77.514 54.837 1.00 0.00 H new ATOM 0 HB2 SER A 34 58.453 -77.476 57.263 1.00 0.00 H new ATOM 0 HB3 SER A 34 59.163 -78.992 56.744 1.00 0.00 H new ATOM 0 HG SER A 34 60.207 -78.527 58.643 1.00 0.00 H new ATOM 530 N GLY A 35 60.351 -75.310 57.039 1.00 0.00 N ATOM 531 CA GLY A 35 60.429 -73.883 57.326 1.00 0.00 C ATOM 532 C GLY A 35 59.109 -73.370 57.891 1.00 0.00 C ATOM 533 O GLY A 35 58.509 -72.443 57.347 1.00 0.00 O ATOM 0 H GLY A 35 60.662 -75.915 57.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.232 -73.694 58.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.676 -73.338 56.415 1.00 0.00 H new ATOM 537 N GLU A 36 58.664 -73.978 58.986 1.00 0.00 N ATOM 538 CA GLU A 36 57.410 -73.577 59.614 1.00 0.00 C ATOM 539 C GLU A 36 57.582 -72.258 60.362 1.00 0.00 C ATOM 540 O GLU A 36 58.691 -71.734 60.468 1.00 0.00 O ATOM 541 CB GLU A 36 56.946 -74.661 60.589 1.00 0.00 C ATOM 542 CG GLU A 36 56.897 -76.010 59.866 1.00 0.00 C ATOM 543 CD GLU A 36 58.262 -76.686 59.934 1.00 0.00 C ATOM 544 OE1 GLU A 36 59.204 -76.036 60.356 1.00 0.00 O ATOM 545 OE2 GLU A 36 58.346 -77.845 59.563 1.00 0.00 O ATOM 0 H GLU A 36 59.148 -74.744 59.454 1.00 0.00 H new ATOM 0 HA GLU A 36 56.661 -73.444 58.834 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.626 -74.716 61.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 55.961 -74.412 60.985 1.00 0.00 H new ATOM 0 HG2 GLU A 36 56.142 -76.650 60.323 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.605 -75.864 58.826 1.00 0.00 H new ATOM 552 N CYS A 37 56.478 -71.729 60.880 1.00 0.00 N ATOM 553 CA CYS A 37 56.513 -70.456 61.591 1.00 0.00 C ATOM 554 C CYS A 37 56.978 -70.661 63.030 1.00 0.00 C ATOM 555 O CYS A 37 56.778 -71.727 63.611 1.00 0.00 O ATOM 556 CB CYS A 37 55.143 -69.795 61.688 1.00 0.00 C ATOM 557 SG CYS A 37 54.475 -69.513 60.030 1.00 0.00 S ATOM 0 H CYS A 37 55.555 -72.158 60.822 1.00 0.00 H new ATOM 0 HA CYS A 37 57.193 -69.825 61.020 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.464 -70.428 62.260 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.223 -68.849 62.223 1.00 0.00 H new ATOM 562 N PHE A 38 57.599 -69.632 63.597 1.00 0.00 N ATOM 563 CA PHE A 38 58.051 -69.698 64.983 1.00 0.00 C ATOM 564 C PHE A 38 57.962 -68.324 65.640 1.00 0.00 C ATOM 565 O PHE A 38 58.050 -67.296 64.970 1.00 0.00 O ATOM 566 CB PHE A 38 59.496 -70.198 65.037 1.00 0.00 C ATOM 567 CG PHE A 38 59.530 -71.671 64.710 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.590 -72.091 63.376 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.503 -72.619 65.741 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.622 -73.458 63.072 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.534 -73.985 65.437 1.00 0.00 C ATOM 572 CZ PHE A 38 59.594 -74.404 64.102 1.00 0.00 C ATOM 0 H PHE A 38 57.800 -68.751 63.124 1.00 0.00 H new ATOM 0 HA PHE A 38 57.406 -70.390 65.524 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.111 -69.643 64.329 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.916 -70.025 66.028 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.612 -71.361 62.581 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.458 -72.296 66.771 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.668 -73.781 62.043 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.512 -74.716 66.232 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.619 -75.458 63.868 1.00 0.00 H new ATOM 582 N TYR A 39 57.785 -68.316 66.958 1.00 0.00 N ATOM 583 CA TYR A 39 57.676 -67.064 67.696 1.00 0.00 C ATOM 584 C TYR A 39 59.030 -66.663 68.274 1.00 0.00 C ATOM 585 O TYR A 39 59.532 -67.298 69.202 1.00 0.00 O ATOM 586 CB TYR A 39 56.659 -67.213 68.830 1.00 0.00 C ATOM 587 CG TYR A 39 55.272 -67.351 68.248 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.938 -68.484 67.496 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.321 -66.346 68.461 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.652 -68.611 66.958 1.00 0.00 C ATOM 591 CE2 TYR A 39 53.035 -66.473 67.923 1.00 0.00 C ATOM 592 CZ TYR A 39 52.701 -67.606 67.171 1.00 0.00 C ATOM 593 OH TYR A 39 51.433 -67.732 66.639 1.00 0.00 O ATOM 0 H TYR A 39 57.715 -69.156 67.532 1.00 0.00 H new ATOM 0 HA TYR A 39 57.342 -66.287 67.009 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.899 -68.087 69.436 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.704 -66.346 69.489 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.672 -69.259 67.331 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.580 -65.472 69.041 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.393 -69.485 66.378 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.301 -65.698 68.088 1.00 0.00 H new ATOM 0 HH TYR A 39 50.897 -66.948 66.881 1.00 0.00 H new ATOM 603 N ASP A 40 59.614 -65.606 67.719 1.00 0.00 N ATOM 604 CA ASP A 40 60.909 -65.126 68.191 1.00 0.00 C ATOM 605 C ASP A 40 60.749 -64.347 69.494 1.00 0.00 C ATOM 606 O ASP A 40 59.749 -64.491 70.196 1.00 0.00 O ATOM 607 CB ASP A 40 61.550 -64.227 67.132 1.00 0.00 C ATOM 608 CG ASP A 40 60.673 -63.005 66.885 1.00 0.00 C ATOM 609 OD1 ASP A 40 59.778 -62.771 67.680 1.00 0.00 O ATOM 610 OD2 ASP A 40 60.909 -62.320 65.903 1.00 0.00 O ATOM 0 H ASP A 40 59.216 -65.069 66.949 1.00 0.00 H new ATOM 0 HA ASP A 40 61.551 -65.988 68.373 1.00 0.00 H new ATOM 0 HB2 ASP A 40 62.541 -63.913 67.461 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.683 -64.783 66.204 1.00 0.00 H new ATOM 615 N GLU A 41 61.742 -63.521 69.808 1.00 0.00 N ATOM 616 CA GLU A 41 61.700 -62.722 71.028 1.00 0.00 C ATOM 617 C GLU A 41 60.605 -61.665 70.939 1.00 0.00 C ATOM 618 O GLU A 41 59.900 -61.404 71.915 1.00 0.00 O ATOM 619 CB GLU A 41 63.052 -62.042 71.254 1.00 0.00 C ATOM 620 CG GLU A 41 64.126 -63.105 71.489 1.00 0.00 C ATOM 621 CD GLU A 41 64.478 -63.791 70.174 1.00 0.00 C ATOM 622 OE1 GLU A 41 64.208 -63.210 69.136 1.00 0.00 O ATOM 623 OE2 GLU A 41 65.014 -64.886 70.224 1.00 0.00 O ATOM 0 H GLU A 41 62.579 -63.388 69.240 1.00 0.00 H new ATOM 0 HA GLU A 41 61.482 -63.384 71.866 1.00 0.00 H new ATOM 0 HB2 GLU A 41 63.313 -61.432 70.389 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.995 -61.372 72.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 65.016 -62.645 71.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 63.769 -63.842 72.209 1.00 0.00 H new ATOM 630 N LYS A 42 60.467 -61.060 69.764 1.00 0.00 N ATOM 631 CA LYS A 42 59.448 -60.037 69.557 1.00 0.00 C ATOM 632 C LYS A 42 58.070 -60.676 69.414 1.00 0.00 C ATOM 633 O LYS A 42 57.090 -59.997 69.108 1.00 0.00 O ATOM 634 CB LYS A 42 59.770 -59.226 68.301 1.00 0.00 C ATOM 635 CG LYS A 42 61.126 -58.539 68.471 1.00 0.00 C ATOM 636 CD LYS A 42 61.396 -57.635 67.266 1.00 0.00 C ATOM 637 CE LYS A 42 62.826 -57.098 67.341 1.00 0.00 C ATOM 638 NZ LYS A 42 63.789 -58.226 67.199 1.00 0.00 N ATOM 0 H LYS A 42 61.043 -61.258 68.946 1.00 0.00 H new ATOM 0 HA LYS A 42 59.441 -59.376 70.424 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.788 -59.879 67.428 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.993 -58.482 68.126 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.135 -57.951 69.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.915 -59.286 68.563 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.254 -58.193 66.340 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.686 -56.808 67.252 1.00 0.00 H new ATOM 0 HE2 LYS A 42 62.992 -56.363 66.553 1.00 0.00 H new ATOM 0 HE3 LYS A 42 62.985 -56.588 68.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.687 -57.869 66.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.957 -58.658 68.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.395 -58.939 66.552 1.00 0.00 H new ATOM 652 N ARG A 43 58.003 -61.984 69.636 1.00 0.00 N ATOM 653 CA ARG A 43 56.739 -62.703 69.527 1.00 0.00 C ATOM 654 C ARG A 43 56.152 -62.546 68.127 1.00 0.00 C ATOM 655 O ARG A 43 54.943 -62.384 67.965 1.00 0.00 O ATOM 656 CB ARG A 43 55.745 -62.173 70.561 1.00 0.00 C ATOM 657 CG ARG A 43 56.457 -61.973 71.900 1.00 0.00 C ATOM 658 CD ARG A 43 57.119 -63.284 72.326 1.00 0.00 C ATOM 659 NE ARG A 43 56.257 -64.414 72.000 1.00 0.00 N ATOM 660 CZ ARG A 43 55.213 -64.724 72.761 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.944 -64.010 73.820 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.455 -65.739 72.449 1.00 0.00 N ATOM 0 H ARG A 43 58.802 -62.564 69.891 1.00 0.00 H new ATOM 0 HA ARG A 43 56.927 -63.760 69.714 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.318 -61.230 70.220 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.918 -62.873 70.678 1.00 0.00 H new ATOM 0 HG2 ARG A 43 57.207 -61.187 71.812 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.744 -61.650 72.659 1.00 0.00 H new ATOM 0 HD2 ARG A 43 58.080 -63.394 71.824 1.00 0.00 H new ATOM 0 HD3 ARG A 43 57.319 -63.267 73.397 1.00 0.00 H new ATOM 0 HE ARG A 43 56.459 -64.976 71.173 1.00 0.00 H new ATOM 0 HH11 ARG A 43 55.535 -63.215 74.063 1.00 0.00 H new ATOM 0 HH12 ARG A 43 54.143 -64.247 74.405 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.664 -66.296 71.620 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.654 -65.976 73.034 1.00 0.00 H new ATOM 676 N ASN A 44 57.017 -62.596 67.119 1.00 0.00 N ATOM 677 CA ASN A 44 56.573 -62.462 65.737 1.00 0.00 C ATOM 678 C ASN A 44 56.722 -63.787 64.995 1.00 0.00 C ATOM 679 O ASN A 44 57.713 -64.496 65.165 1.00 0.00 O ATOM 680 CB ASN A 44 57.391 -61.383 65.028 1.00 0.00 C ATOM 681 CG ASN A 44 57.910 -61.913 63.695 1.00 0.00 C ATOM 682 OD1 ASN A 44 57.179 -62.581 62.965 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.137 -61.654 63.334 1.00 0.00 N ATOM 0 H ASN A 44 58.022 -62.727 67.232 1.00 0.00 H new ATOM 0 HA ASN A 44 55.521 -62.177 65.739 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.776 -60.499 64.862 1.00 0.00 H new ATOM 0 HB3 ASN A 44 58.227 -61.077 65.657 1.00 0.00 H new ATOM 0 HD21 ASN A 44 59.492 -62.006 62.445 1.00 0.00 H new ATOM 0 HD22 ASN A 44 59.741 -61.100 63.941 1.00 0.00 H new ATOM 690 N LEU A 45 55.730 -64.114 64.173 1.00 0.00 N ATOM 691 CA LEU A 45 55.762 -65.356 63.410 1.00 0.00 C ATOM 692 C LEU A 45 56.874 -65.316 62.366 1.00 0.00 C ATOM 693 O LEU A 45 56.815 -64.537 61.413 1.00 0.00 O ATOM 694 CB LEU A 45 54.417 -65.580 62.718 1.00 0.00 C ATOM 695 CG LEU A 45 53.287 -65.090 63.625 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.938 -65.411 62.980 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.383 -65.794 64.980 1.00 0.00 C ATOM 0 H LEU A 45 54.900 -63.541 64.019 1.00 0.00 H new ATOM 0 HA LEU A 45 55.956 -66.178 64.099 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.392 -65.046 61.768 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.284 -66.638 62.493 1.00 0.00 H new ATOM 0 HG LEU A 45 53.375 -64.013 63.765 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.133 -65.062 63.627 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.869 -64.912 62.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.849 -66.488 62.840 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.579 -65.446 65.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.295 -66.871 64.838 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.344 -65.567 65.441 1.00 0.00 H new ATOM 709 N GLN A 46 57.885 -66.159 62.551 1.00 0.00 N ATOM 710 CA GLN A 46 59.003 -66.211 61.618 1.00 0.00 C ATOM 711 C GLN A 46 59.194 -67.628 61.089 1.00 0.00 C ATOM 712 O GLN A 46 59.027 -68.603 61.823 1.00 0.00 O ATOM 713 CB GLN A 46 60.285 -65.745 62.312 1.00 0.00 C ATOM 714 CG GLN A 46 60.105 -64.310 62.807 1.00 0.00 C ATOM 715 CD GLN A 46 61.403 -63.806 63.431 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.650 -62.525 63.457 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.212 -64.602 63.907 1.00 0.00 N flip ATOM 0 H GLN A 46 57.953 -66.811 63.333 1.00 0.00 H new ATOM 0 HA GLN A 46 58.783 -65.550 60.780 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.518 -66.403 63.149 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.126 -65.800 61.620 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.816 -63.664 61.978 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.299 -64.268 63.540 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.016 -65.603 63.885 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.078 -64.261 64.323 1.00 0.00 H new ATOM 726 N CYS A 47 59.544 -67.737 59.812 1.00 0.00 N ATOM 727 CA CYS A 47 59.768 -69.041 59.198 1.00 0.00 C ATOM 728 C CYS A 47 61.188 -69.527 59.473 1.00 0.00 C ATOM 729 O CYS A 47 62.160 -68.863 59.115 1.00 0.00 O ATOM 730 CB CYS A 47 59.557 -68.953 57.686 1.00 0.00 C ATOM 731 SG CYS A 47 57.797 -68.766 57.307 1.00 0.00 S ATOM 0 H CYS A 47 59.678 -66.944 59.185 1.00 0.00 H new ATOM 0 HA CYS A 47 59.057 -69.745 59.629 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.115 -68.108 57.283 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.946 -69.850 57.205 1.00 0.00 H new ATOM 736 N ILE A 48 61.299 -70.687 60.111 1.00 0.00 N ATOM 737 CA ILE A 48 62.605 -71.253 60.428 1.00 0.00 C ATOM 738 C ILE A 48 62.954 -72.373 59.454 1.00 0.00 C ATOM 739 O ILE A 48 62.608 -73.533 59.678 1.00 0.00 O ATOM 740 CB ILE A 48 62.607 -71.798 61.856 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.507 -70.633 62.845 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.904 -72.567 62.108 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.564 -71.172 64.276 1.00 0.00 C ATOM 0 H ILE A 48 60.506 -71.251 60.417 1.00 0.00 H new ATOM 0 HA ILE A 48 63.352 -70.464 60.340 1.00 0.00 H new ATOM 0 HB ILE A 48 61.756 -72.466 61.991 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.322 -69.929 62.678 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.577 -70.087 62.687 1.00 0.00 H new ATOM 0 HG21 ILE A 48 63.905 -72.955 63.126 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.978 -73.396 61.404 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.755 -71.899 61.974 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.493 -70.343 64.980 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.734 -71.859 64.439 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.506 -71.698 64.429 1.00 0.00 H new ATOM 755 N CYS A 49 63.640 -72.020 58.372 1.00 0.00 N ATOM 756 CA CYS A 49 64.039 -73.007 57.376 1.00 0.00 C ATOM 757 C CYS A 49 64.971 -74.045 57.994 1.00 0.00 C ATOM 758 O CYS A 49 66.135 -73.759 58.274 1.00 0.00 O ATOM 759 CB CYS A 49 64.774 -72.317 56.216 1.00 0.00 C ATOM 760 SG CYS A 49 63.680 -72.164 54.781 1.00 0.00 S ATOM 0 H CYS A 49 63.930 -71.064 58.163 1.00 0.00 H new ATOM 0 HA CYS A 49 63.139 -73.499 57.008 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.115 -71.330 56.529 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.661 -72.890 55.946 1.00 0.00 H new ATOM 765 N ASP A 50 64.452 -75.250 58.203 1.00 0.00 N ATOM 766 CA ASP A 50 65.248 -76.322 58.789 1.00 0.00 C ATOM 767 C ASP A 50 65.855 -77.198 57.699 1.00 0.00 C ATOM 768 O ASP A 50 65.138 -77.887 56.972 1.00 0.00 O ATOM 769 CB ASP A 50 64.374 -77.180 59.707 1.00 0.00 C ATOM 770 CG ASP A 50 63.232 -77.799 58.910 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.441 -78.097 57.746 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.163 -77.966 59.475 1.00 0.00 O ATOM 0 H ASP A 50 63.491 -75.508 57.977 1.00 0.00 H new ATOM 0 HA ASP A 50 66.054 -75.873 59.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.975 -77.965 60.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.974 -76.570 60.517 1.00 0.00 H new ATOM 777 N TYR A 51 67.179 -77.165 57.588 1.00 0.00 N ATOM 778 CA TYR A 51 67.874 -77.985 56.604 1.00 0.00 C ATOM 779 C TYR A 51 68.276 -79.326 57.211 1.00 0.00 C ATOM 780 O TYR A 51 69.458 -79.662 57.271 1.00 0.00 O ATOM 781 CB TYR A 51 69.123 -77.256 56.105 1.00 0.00 C ATOM 782 CG TYR A 51 68.718 -76.175 55.131 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.385 -74.898 55.600 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.677 -76.449 53.759 1.00 0.00 C ATOM 785 CE1 TYR A 51 68.010 -73.897 54.697 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.302 -75.447 52.856 1.00 0.00 C ATOM 787 CZ TYR A 51 67.969 -74.171 53.324 1.00 0.00 C ATOM 788 OH TYR A 51 67.599 -73.184 52.435 1.00 0.00 O ATOM 0 H TYR A 51 67.788 -76.583 58.163 1.00 0.00 H new ATOM 0 HA TYR A 51 67.199 -78.165 55.767 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.663 -76.820 56.945 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.800 -77.961 55.622 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.418 -74.686 56.658 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.935 -77.433 53.397 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.752 -72.913 55.059 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.270 -75.659 51.798 1.00 0.00 H new ATOM 0 HH TYR A 51 67.624 -73.540 51.522 1.00 0.00 H new ATOM 798 N CYS A 52 67.282 -80.089 57.658 1.00 0.00 N ATOM 799 CA CYS A 52 67.547 -81.376 58.289 1.00 0.00 C ATOM 800 C CYS A 52 66.254 -82.169 58.453 1.00 0.00 C ATOM 801 O CYS A 52 65.195 -81.752 57.983 1.00 0.00 O ATOM 802 CB CYS A 52 68.193 -81.163 59.659 1.00 0.00 C ATOM 803 SG CYS A 52 69.979 -80.951 59.457 1.00 0.00 S ATOM 0 H CYS A 52 66.295 -79.840 57.595 1.00 0.00 H new ATOM 0 HA CYS A 52 68.227 -81.939 57.650 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.764 -80.285 60.143 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.988 -82.016 60.306 1.00 0.00 H new ATOM 808 N GLU A 53 66.347 -83.313 59.123 1.00 0.00 N ATOM 809 CA GLU A 53 65.178 -84.157 59.343 1.00 0.00 C ATOM 810 C GLU A 53 64.594 -83.911 60.731 1.00 0.00 C ATOM 811 O GLU A 53 64.843 -84.675 61.664 1.00 0.00 O ATOM 812 CB GLU A 53 65.564 -85.630 59.204 1.00 0.00 C ATOM 813 CG GLU A 53 66.106 -85.885 57.797 1.00 0.00 C ATOM 814 CD GLU A 53 65.011 -85.646 56.764 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.852 -85.655 57.145 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.346 -85.458 55.606 1.00 0.00 O ATOM 0 H GLU A 53 67.214 -83.675 59.521 1.00 0.00 H new ATOM 0 HA GLU A 53 64.426 -83.907 58.595 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.317 -85.891 59.948 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.697 -86.263 59.391 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.953 -85.227 57.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.473 -86.909 57.720 1.00 0.00 H new ATOM 823 N TYR A 54 63.818 -82.839 60.860 1.00 0.00 N ATOM 824 CA TYR A 54 63.199 -82.506 62.137 1.00 0.00 C ATOM 825 C TYR A 54 61.993 -83.405 62.398 1.00 0.00 C ATOM 826 CB TYR A 54 62.756 -81.042 62.136 1.00 0.00 C ATOM 827 CG TYR A 54 61.606 -80.864 61.174 1.00 0.00 C ATOM 828 CD1 TYR A 54 61.858 -80.546 59.834 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.289 -81.016 61.621 1.00 0.00 C ATOM 830 CE1 TYR A 54 60.791 -80.380 58.942 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.222 -80.851 60.730 1.00 0.00 C ATOM 832 CZ TYR A 54 59.474 -80.532 59.389 1.00 0.00 C ATOM 833 OH TYR A 54 58.423 -80.369 58.510 1.00 0.00 O ATOM 0 H TYR A 54 63.604 -82.191 60.102 1.00 0.00 H new ATOM 0 HA TYR A 54 63.933 -82.663 62.928 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.454 -80.742 63.139 1.00 0.00 H new ATOM 0 HB3 TYR A 54 63.588 -80.400 61.848 1.00 0.00 H new ATOM 0 HD1 TYR A 54 62.874 -80.429 59.488 1.00 0.00 H new ATOM 0 HD2 TYR A 54 60.095 -81.261 62.655 1.00 0.00 H new ATOM 0 HE1 TYR A 54 60.985 -80.134 57.908 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.206 -80.969 61.076 1.00 0.00 H new ATOM 0 HH TYR A 54 58.015 -79.489 58.648 1.00 0.00 H new TER 843 TYR A 54