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 170:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 ASN : amide:sc= -9.12! C(o=-13!,f=-12!) USER MOD Set 2.2: A 46 GLN : amide:sc= -3.59! K(o=-13!,f=-6.6) USER MOD Set 3.1: A 14 SER OG : rot 6:sc= 0.398 USER MOD Set 3.2: A 17 GLN : amide:sc= -2.4! C(o=-2!,f=-4.6!) USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= 0.0244 (180deg=-0.428) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -0.114 (180deg=-0.56) USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= -1.03 (180deg=-1.77) USER MOD Single : A 8 TYR OH : rot 53:sc= -3.5! USER MOD Single : A 10 ASN : amide:sc= -1.74! C(o=-1.7!,f=-5.4!) USER MOD Single : A 11 TYR OH : rot -175:sc= 0.0837 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0945) USER MOD Single : A 20 ASN : amide:sc= -0.0479 K(o=-0.048,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= -10.5! C(o=-10!,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+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 31 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-0.21) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.0931 (180deg=-0.693) USER MOD Single : A 51 TYR OH : rot -175:sc= -0.599 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 70.551 -78.240 66.967 1.00 0.00 N ATOM 2 CA ASP A 2 69.695 -78.106 65.795 1.00 0.00 C ATOM 3 C ASP A 2 70.252 -77.052 64.842 1.00 0.00 C ATOM 4 O ASP A 2 69.586 -76.064 64.536 1.00 0.00 O ATOM 5 CB ASP A 2 68.280 -77.712 66.223 1.00 0.00 C ATOM 6 CG ASP A 2 68.308 -76.367 66.941 1.00 0.00 C ATOM 7 OD1 ASP A 2 69.330 -75.704 66.875 1.00 0.00 O ATOM 8 OD2 ASP A 2 67.308 -76.020 67.547 1.00 0.00 O ATOM 0 HA ASP A 2 69.664 -79.066 65.280 1.00 0.00 H new ATOM 0 HB2 ASP A 2 67.630 -77.654 65.350 1.00 0.00 H new ATOM 0 HB3 ASP A 2 67.864 -78.476 66.880 1.00 0.00 H new ATOM 13 N LYS A 3 71.478 -77.271 64.378 1.00 0.00 N ATOM 14 CA LYS A 3 72.116 -76.333 63.463 1.00 0.00 C ATOM 15 C LYS A 3 71.331 -76.238 62.158 1.00 0.00 C ATOM 16 O LYS A 3 71.383 -75.223 61.464 1.00 0.00 O ATOM 17 CB LYS A 3 73.548 -76.783 63.167 1.00 0.00 C ATOM 18 CG LYS A 3 73.519 -78.098 62.387 1.00 0.00 C ATOM 19 CD LYS A 3 74.942 -78.643 62.251 1.00 0.00 C ATOM 20 CE LYS A 3 74.963 -79.765 61.211 1.00 0.00 C ATOM 21 NZ LYS A 3 73.944 -80.792 61.567 1.00 0.00 N ATOM 0 H LYS A 3 72.046 -78.084 64.619 1.00 0.00 H new ATOM 0 HA LYS A 3 72.134 -75.351 63.935 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.069 -76.018 62.591 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.100 -76.912 64.098 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.888 -78.824 62.900 1.00 0.00 H new ATOM 0 HG3 LYS A 3 73.084 -77.938 61.401 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.621 -77.844 61.953 1.00 0.00 H new ATOM 0 HD3 LYS A 3 75.292 -79.018 63.213 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.756 -79.361 60.220 1.00 0.00 H new ATOM 0 HE3 LYS A 3 75.953 -80.219 61.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.181 -81.692 61.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 73.932 -80.927 62.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 73.006 -80.475 61.249 1.00 0.00 H new ATOM 35 N CYS A 4 70.604 -77.301 61.833 1.00 0.00 N ATOM 36 CA CYS A 4 69.811 -77.327 60.609 1.00 0.00 C ATOM 37 C CYS A 4 68.655 -76.347 60.655 1.00 0.00 C ATOM 38 O CYS A 4 67.593 -76.709 60.150 1.00 0.00 O ATOM 39 CB CYS A 4 69.173 -78.706 60.429 1.00 0.00 C ATOM 40 SG CYS A 4 70.445 -79.984 60.587 1.00 0.00 S ATOM 0 H CYS A 4 70.547 -78.150 62.395 1.00 0.00 H new ATOM 0 HA CYS A 4 70.495 -77.072 59.800 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.394 -78.859 61.176 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.695 -78.773 59.452 1.00 0.00 H new ATOM 45 N LYS A 5 68.806 -75.174 61.260 1.00 0.00 N ATOM 46 CA LYS A 5 67.702 -74.226 61.354 1.00 0.00 C ATOM 47 C LYS A 5 68.149 -72.836 60.911 1.00 0.00 C ATOM 48 O LYS A 5 69.240 -72.385 61.259 1.00 0.00 O ATOM 49 CB LYS A 5 67.187 -74.165 62.793 1.00 0.00 C ATOM 50 CG LYS A 5 66.884 -75.581 63.288 1.00 0.00 C ATOM 51 CD LYS A 5 65.629 -76.108 62.591 1.00 0.00 C ATOM 52 CE LYS A 5 65.115 -77.345 63.331 1.00 0.00 C ATOM 53 NZ LYS A 5 64.567 -76.940 64.656 1.00 0.00 N ATOM 0 H LYS A 5 69.675 -74.858 61.690 1.00 0.00 H new ATOM 0 HA LYS A 5 66.901 -74.564 60.696 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.930 -73.695 63.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.288 -73.551 62.843 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.729 -76.238 63.083 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.738 -75.577 64.368 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.859 -75.336 62.572 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.854 -76.359 61.554 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.343 -77.839 62.742 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.923 -78.064 63.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.852 -77.631 64.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.337 -76.906 65.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.129 -76.000 64.578 1.00 0.00 H new ATOM 67 N LYS A 6 67.299 -72.164 60.142 1.00 0.00 N ATOM 68 CA LYS A 6 67.600 -70.809 59.692 1.00 0.00 C ATOM 69 C LYS A 6 66.380 -69.908 59.853 1.00 0.00 C ATOM 70 O LYS A 6 65.348 -70.123 59.217 1.00 0.00 O ATOM 71 CB LYS A 6 68.030 -70.830 58.224 1.00 0.00 C ATOM 72 CG LYS A 6 69.507 -71.217 58.129 1.00 0.00 C ATOM 73 CD LYS A 6 69.779 -71.867 56.771 1.00 0.00 C ATOM 74 CE LYS A 6 69.327 -70.925 55.654 1.00 0.00 C ATOM 75 NZ LYS A 6 69.749 -69.533 55.977 1.00 0.00 N ATOM 0 H LYS A 6 66.404 -72.531 59.819 1.00 0.00 H new ATOM 0 HA LYS A 6 68.412 -70.415 60.303 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.421 -71.541 57.666 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.870 -69.850 57.773 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.134 -70.334 58.253 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.765 -71.907 58.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.842 -72.087 56.668 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.248 -72.816 56.698 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.760 -71.236 54.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.244 -70.971 55.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.953 -69.019 55.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 68.985 -69.049 56.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 70.604 -69.558 56.569 1.00 0.00 H new ATOM 89 N VAL A 7 66.505 -68.896 60.706 1.00 0.00 N ATOM 90 CA VAL A 7 65.385 -68.007 60.990 1.00 0.00 C ATOM 91 C VAL A 7 65.179 -67.024 59.842 1.00 0.00 C ATOM 92 O VAL A 7 66.139 -66.472 59.305 1.00 0.00 O ATOM 93 CB VAL A 7 65.645 -67.235 62.285 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.434 -66.361 62.611 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.881 -68.225 63.428 1.00 0.00 C ATOM 0 H VAL A 7 67.364 -68.673 61.209 1.00 0.00 H new ATOM 0 HA VAL A 7 64.485 -68.611 61.103 1.00 0.00 H new ATOM 0 HB VAL A 7 66.525 -66.604 62.161 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.620 -65.811 63.534 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.264 -65.656 61.797 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.553 -66.991 62.735 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.066 -67.677 64.352 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.000 -68.856 63.551 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.744 -68.849 63.197 1.00 0.00 H new ATOM 105 N TYR A 8 63.921 -66.812 59.470 1.00 0.00 N ATOM 106 CA TYR A 8 63.598 -65.859 58.414 1.00 0.00 C ATOM 107 C TYR A 8 63.465 -64.450 58.985 1.00 0.00 C ATOM 108 O TYR A 8 62.700 -64.220 59.922 1.00 0.00 O ATOM 109 CB TYR A 8 62.290 -66.261 57.731 1.00 0.00 C ATOM 110 CG TYR A 8 62.597 -67.078 56.498 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.481 -68.160 56.578 1.00 0.00 C ATOM 112 CD2 TYR A 8 61.996 -66.754 55.276 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.766 -68.918 55.435 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.280 -67.511 54.134 1.00 0.00 C ATOM 115 CZ TYR A 8 63.165 -68.593 54.213 1.00 0.00 C ATOM 116 OH TYR A 8 63.445 -69.340 53.087 1.00 0.00 O ATOM 0 H TYR A 8 63.114 -67.283 59.880 1.00 0.00 H new ATOM 0 HA TYR A 8 64.407 -65.867 57.683 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.671 -66.838 58.418 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.721 -65.372 57.459 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.944 -68.411 57.521 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.313 -65.920 55.215 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.449 -69.752 55.496 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.816 -67.261 53.191 1.00 0.00 H new ATOM 0 HH TYR A 8 63.284 -70.288 53.275 1.00 0.00 H new ATOM 126 N GLU A 9 64.214 -63.513 58.414 1.00 0.00 N ATOM 127 CA GLU A 9 64.165 -62.128 58.869 1.00 0.00 C ATOM 128 C GLU A 9 63.436 -61.255 57.852 1.00 0.00 C ATOM 129 O GLU A 9 63.671 -61.359 56.648 1.00 0.00 O ATOM 130 CB GLU A 9 65.584 -61.595 59.076 1.00 0.00 C ATOM 131 CG GLU A 9 66.262 -62.374 60.205 1.00 0.00 C ATOM 132 CD GLU A 9 65.561 -62.090 61.528 1.00 0.00 C ATOM 133 OE1 GLU A 9 64.864 -61.091 61.605 1.00 0.00 O ATOM 134 OE2 GLU A 9 65.731 -62.875 62.447 1.00 0.00 O ATOM 0 H GLU A 9 64.857 -63.685 57.641 1.00 0.00 H new ATOM 0 HA GLU A 9 63.623 -62.096 59.814 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.159 -61.694 58.155 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.553 -60.533 59.320 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.232 -63.442 59.990 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.313 -62.092 60.273 1.00 0.00 H new ATOM 141 N ASN A 10 62.551 -60.395 58.345 1.00 0.00 N ATOM 142 CA ASN A 10 61.806 -59.496 57.472 1.00 0.00 C ATOM 143 C ASN A 10 60.864 -60.284 56.567 1.00 0.00 C ATOM 144 O ASN A 10 60.964 -60.218 55.342 1.00 0.00 O ATOM 145 CB ASN A 10 62.774 -58.679 56.615 1.00 0.00 C ATOM 146 CG ASN A 10 63.968 -58.237 57.455 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.984 -58.443 58.669 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.974 -57.638 56.879 1.00 0.00 N ATOM 0 H ASN A 10 62.333 -60.302 59.337 1.00 0.00 H new ATOM 0 HA ASN A 10 61.215 -58.824 58.094 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.115 -59.275 55.768 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.264 -57.807 56.206 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.776 -57.339 57.434 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.959 -57.468 55.873 1.00 0.00 H new ATOM 155 N TYR A 11 59.950 -61.029 57.180 1.00 0.00 N ATOM 156 CA TYR A 11 58.977 -61.806 56.421 1.00 0.00 C ATOM 157 C TYR A 11 57.569 -61.571 56.957 1.00 0.00 C ATOM 158 O TYR A 11 57.340 -61.601 58.166 1.00 0.00 O ATOM 159 CB TYR A 11 59.316 -63.295 56.506 1.00 0.00 C ATOM 160 CG TYR A 11 60.185 -63.682 55.333 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.554 -63.389 55.349 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.622 -64.332 54.228 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.360 -63.746 54.261 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.427 -64.690 53.141 1.00 0.00 C ATOM 165 CZ TYR A 11 61.796 -64.397 53.157 1.00 0.00 C ATOM 166 OH TYR A 11 62.590 -64.749 52.085 1.00 0.00 O ATOM 0 H TYR A 11 59.863 -61.111 58.193 1.00 0.00 H new ATOM 0 HA TYR A 11 59.016 -61.484 55.380 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.833 -63.508 57.441 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.401 -63.888 56.506 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.989 -62.887 56.201 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.566 -64.557 54.215 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.416 -63.519 54.273 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.992 -65.192 52.290 1.00 0.00 H new ATOM 0 HH TYR A 11 62.030 -65.121 51.371 1.00 0.00 H new ATOM 176 N PRO A 12 56.632 -61.339 56.079 1.00 0.00 N ATOM 177 CA PRO A 12 55.211 -61.097 56.458 1.00 0.00 C ATOM 178 C PRO A 12 54.707 -62.111 57.481 1.00 0.00 C ATOM 179 O PRO A 12 54.765 -63.320 57.253 1.00 0.00 O ATOM 180 CB PRO A 12 54.454 -61.251 55.136 1.00 0.00 C ATOM 181 CG PRO A 12 55.447 -60.918 54.072 1.00 0.00 C ATOM 182 CD PRO A 12 56.828 -61.282 54.622 1.00 0.00 C ATOM 0 HA PRO A 12 55.076 -60.123 56.928 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.074 -62.266 55.016 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.594 -60.582 55.095 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.236 -61.475 53.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.400 -59.859 53.818 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.174 -62.238 54.229 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.575 -60.536 54.349 1.00 0.00 H new ATOM 190 N VAL A 13 54.213 -61.611 58.609 1.00 0.00 N ATOM 191 CA VAL A 13 53.687 -62.482 59.654 1.00 0.00 C ATOM 192 C VAL A 13 52.305 -63.003 59.271 1.00 0.00 C ATOM 193 O VAL A 13 51.998 -64.179 59.469 1.00 0.00 O ATOM 194 CB VAL A 13 53.597 -61.717 60.975 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.983 -61.199 61.361 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.639 -60.535 60.815 1.00 0.00 C ATOM 0 H VAL A 13 54.166 -60.615 58.822 1.00 0.00 H new ATOM 0 HA VAL A 13 54.363 -63.329 59.770 1.00 0.00 H new ATOM 0 HB VAL A 13 53.228 -62.383 61.755 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.918 -60.654 62.303 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.667 -62.040 61.475 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.353 -60.533 60.581 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.574 -59.989 61.756 1.00 0.00 H new ATOM 0 HG22 VAL A 13 53.009 -59.870 60.035 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.650 -60.903 60.540 1.00 0.00 H new ATOM 206 N SER A 14 51.476 -62.121 58.723 1.00 0.00 N ATOM 207 CA SER A 14 50.125 -62.501 58.326 1.00 0.00 C ATOM 208 C SER A 14 50.154 -63.760 57.466 1.00 0.00 C ATOM 209 O SER A 14 49.285 -64.624 57.583 1.00 0.00 O ATOM 210 CB SER A 14 49.472 -61.362 57.543 1.00 0.00 C ATOM 211 OG SER A 14 48.129 -61.715 57.235 1.00 0.00 O ATOM 0 H SER A 14 51.713 -61.145 58.545 1.00 0.00 H new ATOM 0 HA SER A 14 49.545 -62.703 59.226 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.494 -60.443 58.129 1.00 0.00 H new ATOM 0 HB3 SER A 14 50.029 -61.169 56.626 1.00 0.00 H new ATOM 0 HG SER A 14 47.902 -62.559 57.679 1.00 0.00 H new ATOM 217 N LYS A 15 51.159 -63.858 56.602 1.00 0.00 N ATOM 218 CA LYS A 15 51.296 -65.020 55.732 1.00 0.00 C ATOM 219 C LYS A 15 51.647 -66.260 56.547 1.00 0.00 C ATOM 220 O LYS A 15 51.276 -67.377 56.187 1.00 0.00 O ATOM 221 CB LYS A 15 52.386 -64.766 54.689 1.00 0.00 C ATOM 222 CG LYS A 15 51.937 -63.655 53.738 1.00 0.00 C ATOM 223 CD LYS A 15 52.914 -63.560 52.565 1.00 0.00 C ATOM 224 CE LYS A 15 52.524 -62.384 51.668 1.00 0.00 C ATOM 225 NZ LYS A 15 51.280 -62.721 50.920 1.00 0.00 N ATOM 0 H LYS A 15 51.886 -63.152 56.486 1.00 0.00 H new ATOM 0 HA LYS A 15 50.344 -65.188 55.228 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.316 -64.483 55.182 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.587 -65.679 54.129 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.931 -63.860 53.371 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.895 -62.703 54.268 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.931 -63.427 52.935 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.902 -64.487 51.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 52.368 -61.489 52.271 1.00 0.00 H new ATOM 0 HE3 LYS A 15 53.331 -62.161 50.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 51.117 -62.010 50.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 51.381 -63.659 50.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 50.472 -62.730 51.575 1.00 0.00 H new ATOM 239 N CYS A 16 52.365 -66.055 57.646 1.00 0.00 N ATOM 240 CA CYS A 16 52.758 -67.164 58.508 1.00 0.00 C ATOM 241 C CYS A 16 51.539 -67.761 59.203 1.00 0.00 C ATOM 242 O CYS A 16 51.635 -68.789 59.873 1.00 0.00 O ATOM 243 CB CYS A 16 53.760 -66.680 59.558 1.00 0.00 C ATOM 244 SG CYS A 16 55.213 -67.759 59.546 1.00 0.00 S ATOM 0 H CYS A 16 52.685 -65.139 57.959 1.00 0.00 H new ATOM 0 HA CYS A 16 53.222 -67.933 57.890 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.055 -65.652 59.348 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.299 -66.684 60.546 1.00 0.00 H new ATOM 249 N GLN A 17 50.392 -67.110 59.037 1.00 0.00 N ATOM 250 CA GLN A 17 49.158 -67.589 59.649 1.00 0.00 C ATOM 251 C GLN A 17 48.766 -68.945 59.070 1.00 0.00 C ATOM 252 O GLN A 17 47.816 -69.577 59.533 1.00 0.00 O ATOM 253 CB GLN A 17 48.030 -66.583 59.408 1.00 0.00 C ATOM 254 CG GLN A 17 47.590 -66.651 57.944 1.00 0.00 C ATOM 255 CD GLN A 17 46.777 -65.411 57.587 1.00 0.00 C ATOM 256 OE1 GLN A 17 47.024 -64.330 58.122 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.817 -65.502 56.707 1.00 0.00 N ATOM 0 H GLN A 17 50.291 -66.256 58.488 1.00 0.00 H new ATOM 0 HA GLN A 17 49.324 -67.698 60.721 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.187 -66.802 60.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.369 -65.576 59.651 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.463 -66.723 57.296 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.994 -67.548 57.776 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.614 -66.398 56.265 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.270 -64.677 56.462 1.00 0.00 H new ATOM 266 N LEU A 18 49.503 -69.385 58.056 1.00 0.00 N ATOM 267 CA LEU A 18 49.238 -70.677 57.435 1.00 0.00 C ATOM 268 C LEU A 18 50.516 -71.506 57.355 1.00 0.00 C ATOM 269 O LEU A 18 51.340 -71.308 56.462 1.00 0.00 O ATOM 270 CB LEU A 18 48.670 -70.473 56.029 1.00 0.00 C ATOM 271 CG LEU A 18 47.163 -70.224 56.118 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.713 -69.380 54.924 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.425 -71.565 56.101 1.00 0.00 C ATOM 0 H LEU A 18 50.284 -68.870 57.649 1.00 0.00 H new ATOM 0 HA LEU A 18 48.511 -71.211 58.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.161 -69.628 55.546 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.869 -71.351 55.414 1.00 0.00 H new ATOM 0 HG LEU A 18 46.936 -69.694 57.043 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.639 -69.203 54.988 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.240 -68.426 54.934 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.939 -69.909 53.998 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.351 -71.390 56.164 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.653 -72.094 55.175 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.745 -72.167 56.951 1.00 0.00 H new ATOM 285 N ALA A 19 50.673 -72.433 58.293 1.00 0.00 N ATOM 286 CA ALA A 19 51.854 -73.288 58.319 1.00 0.00 C ATOM 287 C ALA A 19 52.161 -73.821 56.923 1.00 0.00 C ATOM 288 O ALA A 19 53.226 -74.392 56.686 1.00 0.00 O ATOM 289 CB ALA A 19 51.630 -74.460 59.276 1.00 0.00 C ATOM 0 H ALA A 19 50.003 -72.611 59.041 1.00 0.00 H new ATOM 0 HA ALA A 19 52.701 -72.694 58.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.517 -75.094 59.289 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.441 -74.079 60.280 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.772 -75.044 58.942 1.00 0.00 H new ATOM 295 N ASN A 20 51.222 -73.632 56.002 1.00 0.00 N ATOM 296 CA ASN A 20 51.407 -74.093 54.631 1.00 0.00 C ATOM 297 C ASN A 20 52.183 -73.061 53.819 1.00 0.00 C ATOM 298 O ASN A 20 53.046 -73.412 53.014 1.00 0.00 O ATOM 299 CB ASN A 20 50.047 -74.342 53.975 1.00 0.00 C ATOM 300 CG ASN A 20 49.414 -75.604 54.552 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.104 -76.426 55.154 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.133 -75.807 54.402 1.00 0.00 N ATOM 0 H ASN A 20 50.332 -73.166 56.178 1.00 0.00 H new ATOM 0 HA ASN A 20 51.975 -75.023 54.654 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.391 -73.487 54.142 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.167 -74.446 52.897 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.702 -76.649 54.784 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.563 -75.124 53.903 1.00 0.00 H new ATOM 309 N GLN A 21 51.870 -71.787 54.035 1.00 0.00 N ATOM 310 CA GLN A 21 52.550 -70.712 53.322 1.00 0.00 C ATOM 311 C GLN A 21 53.970 -70.531 53.850 1.00 0.00 C ATOM 312 O GLN A 21 54.916 -70.384 53.077 1.00 0.00 O ATOM 313 CB GLN A 21 51.773 -69.404 53.486 1.00 0.00 C ATOM 314 CG GLN A 21 50.508 -69.450 52.627 1.00 0.00 C ATOM 315 CD GLN A 21 50.878 -69.375 51.150 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.477 -68.394 50.708 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.556 -70.359 50.355 1.00 0.00 N ATOM 0 H GLN A 21 51.155 -71.476 54.693 1.00 0.00 H new ATOM 0 HA GLN A 21 52.599 -70.977 52.266 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.509 -69.254 54.533 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.395 -68.559 53.190 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.957 -70.369 52.826 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.851 -68.621 52.888 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.060 -71.171 50.723 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.801 -70.316 49.366 1.00 0.00 H new ATOM 326 N CYS A 22 54.109 -70.542 55.172 1.00 0.00 N ATOM 327 CA CYS A 22 55.415 -70.356 55.794 1.00 0.00 C ATOM 328 C CYS A 22 56.413 -71.384 55.270 1.00 0.00 C ATOM 329 O CYS A 22 57.449 -71.027 54.709 1.00 0.00 O ATOM 330 CB CYS A 22 55.292 -70.492 57.313 1.00 0.00 C ATOM 331 SG CYS A 22 56.944 -70.517 58.053 1.00 0.00 S ATOM 0 H CYS A 22 53.340 -70.677 55.829 1.00 0.00 H new ATOM 0 HA CYS A 22 55.776 -69.358 55.544 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.713 -69.662 57.717 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.755 -71.407 57.565 1.00 0.00 H new ATOM 336 N ASN A 23 56.094 -72.661 55.457 1.00 0.00 N ATOM 337 CA ASN A 23 56.984 -73.732 55.025 1.00 0.00 C ATOM 338 C ASN A 23 57.232 -73.653 53.521 1.00 0.00 C ATOM 339 O ASN A 23 58.364 -73.803 53.061 1.00 0.00 O ATOM 340 CB ASN A 23 56.372 -75.091 55.371 1.00 0.00 C ATOM 341 CG ASN A 23 54.935 -75.158 54.868 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.298 -74.125 54.664 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.382 -76.321 54.654 1.00 0.00 N ATOM 0 H ASN A 23 55.232 -72.977 55.902 1.00 0.00 H new ATOM 0 HA ASN A 23 57.935 -73.618 55.544 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.961 -75.890 54.921 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.396 -75.246 56.450 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.421 -76.374 54.317 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.911 -77.176 54.824 1.00 0.00 H new ATOM 350 N TYR A 24 56.168 -73.417 52.762 1.00 0.00 N ATOM 351 CA TYR A 24 56.285 -73.305 51.313 1.00 0.00 C ATOM 352 C TYR A 24 57.213 -72.155 50.934 1.00 0.00 C ATOM 353 O TYR A 24 58.183 -72.344 50.200 1.00 0.00 O ATOM 354 CB TYR A 24 54.905 -73.073 50.694 1.00 0.00 C ATOM 355 CG TYR A 24 54.284 -74.402 50.334 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.092 -75.375 51.322 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.899 -74.660 49.013 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.516 -76.607 50.988 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.323 -75.892 48.679 1.00 0.00 C ATOM 360 CZ TYR A 24 53.132 -76.865 49.667 1.00 0.00 C ATOM 361 OH TYR A 24 52.564 -78.079 49.338 1.00 0.00 O ATOM 0 H TYR A 24 55.221 -73.300 53.123 1.00 0.00 H new ATOM 0 HA TYR A 24 56.705 -74.235 50.930 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.265 -72.539 51.396 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.994 -72.448 49.805 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.388 -75.176 52.341 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.046 -73.909 48.251 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.368 -77.358 51.750 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.026 -76.091 47.660 1.00 0.00 H new ATOM 0 HH TYR A 24 52.355 -78.094 48.381 1.00 0.00 H new ATOM 371 N ASP A 25 56.909 -70.965 51.439 1.00 0.00 N ATOM 372 CA ASP A 25 57.718 -69.788 51.140 1.00 0.00 C ATOM 373 C ASP A 25 59.175 -70.024 51.524 1.00 0.00 C ATOM 374 O ASP A 25 60.089 -69.647 50.790 1.00 0.00 O ATOM 375 CB ASP A 25 57.178 -68.576 51.902 1.00 0.00 C ATOM 376 CG ASP A 25 55.802 -68.195 51.367 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.462 -68.647 50.286 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.108 -67.457 52.047 1.00 0.00 O ATOM 0 H ASP A 25 56.114 -70.789 52.053 1.00 0.00 H new ATOM 0 HA ASP A 25 57.664 -69.598 50.068 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.113 -68.804 52.966 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.864 -67.735 51.797 1.00 0.00 H new ATOM 383 N CYS A 26 59.385 -70.648 52.678 1.00 0.00 N ATOM 384 CA CYS A 26 60.737 -70.923 53.152 1.00 0.00 C ATOM 385 C CYS A 26 61.537 -71.672 52.090 1.00 0.00 C ATOM 386 O CYS A 26 62.660 -71.289 51.762 1.00 0.00 O ATOM 387 CB CYS A 26 60.682 -71.757 54.433 1.00 0.00 C ATOM 388 SG CYS A 26 62.023 -71.253 55.539 1.00 0.00 S ATOM 0 H CYS A 26 58.643 -70.971 53.299 1.00 0.00 H new ATOM 0 HA CYS A 26 61.229 -69.972 53.358 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.719 -71.622 54.926 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.772 -72.817 54.194 1.00 0.00 H new ATOM 393 N LYS A 27 60.952 -72.740 51.559 1.00 0.00 N ATOM 394 CA LYS A 27 61.623 -73.538 50.538 1.00 0.00 C ATOM 395 C LYS A 27 61.793 -72.734 49.252 1.00 0.00 C ATOM 396 O LYS A 27 62.889 -72.659 48.697 1.00 0.00 O ATOM 397 CB LYS A 27 60.813 -74.803 50.249 1.00 0.00 C ATOM 398 CG LYS A 27 60.590 -75.575 51.551 1.00 0.00 C ATOM 399 CD LYS A 27 59.582 -76.700 51.311 1.00 0.00 C ATOM 400 CE LYS A 27 60.148 -77.685 50.287 1.00 0.00 C ATOM 401 NZ LYS A 27 59.434 -78.988 50.402 1.00 0.00 N ATOM 0 H LYS A 27 60.022 -73.072 51.815 1.00 0.00 H new ATOM 0 HA LYS A 27 62.609 -73.815 50.911 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.855 -74.540 49.801 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.340 -75.429 49.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.534 -75.988 51.908 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.223 -74.903 52.326 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.368 -77.216 52.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.640 -76.287 50.951 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.035 -77.284 49.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 61.216 -77.827 50.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.819 -79.658 49.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.564 -79.372 51.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.420 -78.845 50.221 1.00 0.00 H new ATOM 415 N LEU A 28 60.702 -72.138 48.784 1.00 0.00 N ATOM 416 CA LEU A 28 60.736 -71.367 47.546 1.00 0.00 C ATOM 417 C LEU A 28 61.814 -70.290 47.613 1.00 0.00 C ATOM 418 O LEU A 28 62.358 -69.880 46.588 1.00 0.00 O ATOM 419 CB LEU A 28 59.374 -70.715 47.299 1.00 0.00 C ATOM 420 CG LEU A 28 58.311 -71.802 47.132 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.920 -71.185 47.287 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.438 -72.428 45.741 1.00 0.00 C ATOM 0 H LEU A 28 59.790 -72.173 49.239 1.00 0.00 H new ATOM 0 HA LEU A 28 60.968 -72.045 46.725 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.115 -70.063 48.133 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.414 -70.091 46.406 1.00 0.00 H new ATOM 0 HG LEU A 28 58.454 -72.570 47.892 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.163 -71.960 47.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.829 -70.738 48.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.776 -70.417 46.527 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.681 -73.203 45.620 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.295 -71.659 44.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.429 -72.868 45.629 1.00 0.00 H new ATOM 434 N ASP A 29 62.116 -69.836 48.824 1.00 0.00 N ATOM 435 CA ASP A 29 63.103 -68.778 49.007 1.00 0.00 C ATOM 436 C ASP A 29 64.476 -69.371 49.306 1.00 0.00 C ATOM 437 O ASP A 29 65.463 -69.039 48.649 1.00 0.00 O ATOM 438 CB ASP A 29 62.680 -67.862 50.157 1.00 0.00 C ATOM 439 CG ASP A 29 61.415 -67.100 49.777 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.198 -66.905 48.592 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.681 -66.723 50.676 1.00 0.00 O ATOM 0 H ASP A 29 61.696 -70.180 49.687 1.00 0.00 H new ATOM 0 HA ASP A 29 63.162 -68.200 48.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.503 -68.452 51.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.482 -67.161 50.388 1.00 0.00 H new ATOM 446 N LYS A 30 64.532 -70.250 50.301 1.00 0.00 N ATOM 447 CA LYS A 30 65.802 -70.824 50.730 1.00 0.00 C ATOM 448 C LYS A 30 65.907 -72.282 50.293 1.00 0.00 C ATOM 449 O LYS A 30 66.996 -72.856 50.270 1.00 0.00 O ATOM 450 CB LYS A 30 65.928 -70.735 52.252 1.00 0.00 C ATOM 451 CG LYS A 30 65.994 -69.266 52.674 1.00 0.00 C ATOM 452 CD LYS A 30 67.442 -68.778 52.601 1.00 0.00 C ATOM 453 CE LYS A 30 67.536 -67.366 53.184 1.00 0.00 C ATOM 454 NZ LYS A 30 66.969 -66.389 52.212 1.00 0.00 N ATOM 0 H LYS A 30 63.719 -70.579 50.822 1.00 0.00 H new ATOM 0 HA LYS A 30 66.610 -70.259 50.265 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.077 -71.223 52.727 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.823 -71.260 52.585 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.362 -68.661 52.024 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.611 -69.150 53.688 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.093 -69.455 53.154 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.785 -68.779 51.567 1.00 0.00 H new ATOM 0 HE2 LYS A 30 66.993 -67.314 54.128 1.00 0.00 H new ATOM 0 HE3 LYS A 30 68.575 -67.119 53.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 67.094 -65.423 52.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 67.461 -66.481 51.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 65.955 -66.580 52.079 1.00 0.00 H new ATOM 468 N HIS A 31 64.769 -72.875 49.948 1.00 0.00 N ATOM 469 CA HIS A 31 64.748 -74.262 49.498 1.00 0.00 C ATOM 470 C HIS A 31 65.134 -75.201 50.637 1.00 0.00 C ATOM 471 O HIS A 31 66.053 -76.010 50.502 1.00 0.00 O ATOM 472 CB HIS A 31 65.717 -74.448 48.330 1.00 0.00 C ATOM 473 CG HIS A 31 65.402 -73.447 47.253 1.00 0.00 C ATOM 474 ND1 HIS A 31 64.707 -73.792 46.104 1.00 0.00 N ATOM 475 CD2 HIS A 31 65.681 -72.108 47.135 1.00 0.00 C ATOM 476 CE1 HIS A 31 64.592 -72.682 45.352 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.168 -71.627 45.934 1.00 0.00 N ATOM 0 H HIS A 31 63.856 -72.421 49.971 1.00 0.00 H new ATOM 0 HA HIS A 31 63.736 -74.502 49.171 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.744 -74.319 48.672 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.637 -75.461 47.935 1.00 0.00 H new ATOM 0 HD2 HIS A 31 66.217 -71.518 47.863 1.00 0.00 H new ATOM 0 HE1 HIS A 31 64.094 -72.648 44.394 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.221 -70.674 45.575 1.00 0.00 H new ATOM 485 N ALA A 32 64.428 -75.088 51.756 1.00 0.00 N ATOM 486 CA ALA A 32 64.680 -75.959 52.898 1.00 0.00 C ATOM 487 C ALA A 32 63.768 -77.181 52.849 1.00 0.00 C ATOM 488 O ALA A 32 63.194 -77.498 51.808 1.00 0.00 O ATOM 489 CB ALA A 32 64.444 -75.195 54.202 1.00 0.00 C ATOM 0 H ALA A 32 63.682 -74.407 51.897 1.00 0.00 H new ATOM 0 HA ALA A 32 65.717 -76.291 52.856 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.635 -75.854 55.049 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.117 -74.339 54.249 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.412 -74.847 54.238 1.00 0.00 H new ATOM 495 N ARG A 33 63.641 -77.864 53.982 1.00 0.00 N ATOM 496 CA ARG A 33 62.773 -79.033 54.064 1.00 0.00 C ATOM 497 C ARG A 33 61.333 -78.613 54.342 1.00 0.00 C ATOM 498 O ARG A 33 60.413 -79.003 53.623 1.00 0.00 O ATOM 499 CB ARG A 33 63.257 -79.967 55.174 1.00 0.00 C ATOM 500 CG ARG A 33 64.769 -80.165 55.052 1.00 0.00 C ATOM 501 CD ARG A 33 65.057 -81.303 54.072 1.00 0.00 C ATOM 502 NE ARG A 33 66.425 -81.207 53.576 1.00 0.00 N ATOM 503 CZ ARG A 33 66.756 -80.322 52.640 1.00 0.00 C ATOM 504 NH1 ARG A 33 65.849 -79.522 52.150 1.00 0.00 N ATOM 505 NH2 ARG A 33 67.987 -80.255 52.212 1.00 0.00 N ATOM 0 H ARG A 33 64.124 -77.631 54.850 1.00 0.00 H new ATOM 0 HA ARG A 33 62.809 -79.556 53.108 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.012 -79.547 56.150 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.747 -80.928 55.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.240 -79.245 54.706 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.196 -80.395 56.028 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.908 -82.264 54.565 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.356 -81.261 53.238 1.00 0.00 H new ATOM 0 HE ARG A 33 67.140 -81.829 53.953 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.887 -79.576 52.485 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.102 -78.843 51.432 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.695 -80.881 52.595 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.241 -79.576 51.494 1.00 0.00 H new ATOM 519 N SER A 34 61.145 -77.816 55.389 1.00 0.00 N ATOM 520 CA SER A 34 59.814 -77.329 55.736 1.00 0.00 C ATOM 521 C SER A 34 59.827 -75.814 55.916 1.00 0.00 C ATOM 522 O SER A 34 59.404 -75.071 55.031 1.00 0.00 O ATOM 523 CB SER A 34 59.336 -77.994 57.027 1.00 0.00 C ATOM 524 OG SER A 34 58.982 -79.344 56.756 1.00 0.00 O ATOM 0 H SER A 34 61.890 -77.496 56.007 1.00 0.00 H new ATOM 0 HA SER A 34 59.132 -77.580 54.924 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.122 -77.956 57.782 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.479 -77.455 57.432 1.00 0.00 H new ATOM 0 HG SER A 34 58.830 -79.818 57.600 1.00 0.00 H new ATOM 530 N GLY A 35 60.313 -75.364 57.068 1.00 0.00 N ATOM 531 CA GLY A 35 60.400 -73.934 57.342 1.00 0.00 C ATOM 532 C GLY A 35 59.092 -73.411 57.924 1.00 0.00 C ATOM 533 O GLY A 35 58.490 -72.481 57.388 1.00 0.00 O ATOM 0 H GLY A 35 60.650 -75.963 57.822 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.215 -73.742 58.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.634 -73.397 56.423 1.00 0.00 H new ATOM 537 N GLU A 36 58.656 -74.017 59.024 1.00 0.00 N ATOM 538 CA GLU A 36 57.412 -73.609 59.667 1.00 0.00 C ATOM 539 C GLU A 36 57.601 -72.297 60.421 1.00 0.00 C ATOM 540 O GLU A 36 58.717 -71.787 60.529 1.00 0.00 O ATOM 541 CB GLU A 36 56.947 -74.696 60.639 1.00 0.00 C ATOM 542 CG GLU A 36 56.672 -75.988 59.867 1.00 0.00 C ATOM 543 CD GLU A 36 55.487 -75.794 58.929 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.755 -74.836 59.121 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.327 -76.604 58.031 1.00 0.00 O ATOM 0 H GLU A 36 59.141 -74.786 59.486 1.00 0.00 H new ATOM 0 HA GLU A 36 56.657 -73.464 58.894 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.709 -74.869 61.399 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.046 -74.372 61.159 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.555 -76.275 59.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.465 -76.800 60.564 1.00 0.00 H new ATOM 552 N CYS A 37 56.504 -71.755 60.941 1.00 0.00 N ATOM 553 CA CYS A 37 56.557 -70.488 61.661 1.00 0.00 C ATOM 554 C CYS A 37 57.018 -70.707 63.098 1.00 0.00 C ATOM 555 O CYS A 37 56.808 -71.776 63.671 1.00 0.00 O ATOM 556 CB CYS A 37 55.192 -69.817 61.762 1.00 0.00 C ATOM 557 SG CYS A 37 54.497 -69.561 60.111 1.00 0.00 S ATOM 0 H CYS A 37 55.574 -72.170 60.878 1.00 0.00 H new ATOM 0 HA CYS A 37 57.247 -69.861 61.097 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.518 -70.434 62.356 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.286 -68.861 62.277 1.00 0.00 H new ATOM 562 N PHE A 38 57.649 -69.689 63.674 1.00 0.00 N ATOM 563 CA PHE A 38 58.096 -69.767 65.060 1.00 0.00 C ATOM 564 C PHE A 38 57.931 -68.419 65.754 1.00 0.00 C ATOM 565 O PHE A 38 58.120 -67.368 65.142 1.00 0.00 O ATOM 566 CB PHE A 38 59.564 -70.194 65.112 1.00 0.00 C ATOM 567 CG PHE A 38 59.672 -71.665 64.789 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.625 -72.095 63.458 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.818 -72.599 65.822 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.725 -73.459 63.159 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.919 -73.963 65.523 1.00 0.00 C ATOM 572 CZ PHE A 38 59.872 -74.393 64.191 1.00 0.00 C ATOM 0 H PHE A 38 57.861 -68.807 63.207 1.00 0.00 H new ATOM 0 HA PHE A 38 57.484 -70.506 65.578 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.149 -69.611 64.401 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.976 -69.997 66.102 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.512 -71.375 62.661 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.853 -72.267 66.849 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.689 -73.791 62.132 1.00 0.00 H new ATOM 0 HE2 PHE A 38 60.033 -74.683 66.319 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.949 -75.445 63.960 1.00 0.00 H new ATOM 582 N TYR A 39 57.578 -68.458 67.035 1.00 0.00 N ATOM 583 CA TYR A 39 57.387 -67.233 67.802 1.00 0.00 C ATOM 584 C TYR A 39 58.678 -66.840 68.514 1.00 0.00 C ATOM 585 O TYR A 39 59.105 -67.505 69.458 1.00 0.00 O ATOM 586 CB TYR A 39 56.274 -67.430 68.833 1.00 0.00 C ATOM 587 CG TYR A 39 54.951 -67.586 68.122 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.695 -68.734 67.363 1.00 0.00 C ATOM 589 CD2 TYR A 39 53.980 -66.582 68.222 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.468 -68.879 66.704 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.753 -66.727 67.564 1.00 0.00 C ATOM 592 CZ TYR A 39 52.497 -67.875 66.805 1.00 0.00 C ATOM 593 OH TYR A 39 51.288 -68.018 66.155 1.00 0.00 O ATOM 0 H TYR A 39 57.419 -69.318 67.560 1.00 0.00 H new ATOM 0 HA TYR A 39 57.107 -66.436 67.113 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.479 -68.311 69.441 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.236 -66.577 69.511 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.444 -69.508 67.286 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.178 -65.696 68.807 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.271 -69.765 66.118 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.004 -65.953 67.642 1.00 0.00 H new ATOM 0 HH TYR A 39 50.728 -67.233 66.329 1.00 0.00 H new ATOM 603 N ASP A 40 59.296 -65.757 68.054 1.00 0.00 N ATOM 604 CA ASP A 40 60.530 -65.275 68.664 1.00 0.00 C ATOM 605 C ASP A 40 60.224 -64.338 69.827 1.00 0.00 C ATOM 606 O ASP A 40 59.155 -64.414 70.433 1.00 0.00 O ATOM 607 CB ASP A 40 61.375 -64.540 67.622 1.00 0.00 C ATOM 608 CG ASP A 40 60.685 -63.244 67.211 1.00 0.00 C ATOM 609 OD1 ASP A 40 59.589 -63.001 67.690 1.00 0.00 O ATOM 610 OD2 ASP A 40 61.262 -62.512 66.424 1.00 0.00 O ATOM 0 H ASP A 40 58.965 -65.200 67.266 1.00 0.00 H new ATOM 0 HA ASP A 40 61.085 -66.134 69.042 1.00 0.00 H new ATOM 0 HB2 ASP A 40 62.362 -64.323 68.030 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.524 -65.175 66.749 1.00 0.00 H new ATOM 615 N GLU A 41 61.169 -63.454 70.134 1.00 0.00 N ATOM 616 CA GLU A 41 60.987 -62.504 71.224 1.00 0.00 C ATOM 617 C GLU A 41 59.991 -61.418 70.829 1.00 0.00 C ATOM 618 O GLU A 41 59.177 -60.983 71.644 1.00 0.00 O ATOM 619 CB GLU A 41 62.328 -61.861 71.586 1.00 0.00 C ATOM 620 CG GLU A 41 63.281 -62.933 72.117 1.00 0.00 C ATOM 621 CD GLU A 41 63.795 -63.790 70.965 1.00 0.00 C ATOM 622 OE1 GLU A 41 63.672 -63.358 69.831 1.00 0.00 O ATOM 623 OE2 GLU A 41 64.304 -64.866 71.234 1.00 0.00 O ATOM 0 H GLU A 41 62.062 -63.377 69.647 1.00 0.00 H new ATOM 0 HA GLU A 41 60.597 -63.042 72.088 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.760 -61.377 70.710 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.180 -61.086 72.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 64.118 -62.464 72.634 1.00 0.00 H new ATOM 0 HG3 GLU A 41 62.767 -63.559 72.846 1.00 0.00 H new ATOM 630 N LYS A 42 60.062 -60.985 69.575 1.00 0.00 N ATOM 631 CA LYS A 42 59.159 -59.952 69.082 1.00 0.00 C ATOM 632 C LYS A 42 57.749 -60.508 68.912 1.00 0.00 C ATOM 633 O LYS A 42 56.850 -59.813 68.439 1.00 0.00 O ATOM 634 CB LYS A 42 59.662 -59.415 67.741 1.00 0.00 C ATOM 635 CG LYS A 42 61.030 -58.757 67.936 1.00 0.00 C ATOM 636 CD LYS A 42 61.484 -58.124 66.619 1.00 0.00 C ATOM 637 CE LYS A 42 62.914 -57.601 66.771 1.00 0.00 C ATOM 638 NZ LYS A 42 63.839 -58.744 67.012 1.00 0.00 N ATOM 0 H LYS A 42 60.730 -61.330 68.886 1.00 0.00 H new ATOM 0 HA LYS A 42 59.132 -59.142 69.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.737 -60.226 67.017 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.953 -58.692 67.338 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.972 -57.998 68.716 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.758 -59.498 68.266 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.438 -58.859 65.815 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.814 -57.309 66.345 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.212 -57.061 65.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 62.968 -56.895 67.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.801 -58.480 66.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.839 -58.983 68.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.523 -59.568 66.462 1.00 0.00 H new ATOM 652 N ARG A 43 57.563 -61.765 69.301 1.00 0.00 N ATOM 653 CA ARG A 43 56.257 -62.404 69.189 1.00 0.00 C ATOM 654 C ARG A 43 55.785 -62.409 67.738 1.00 0.00 C ATOM 655 O ARG A 43 54.601 -62.601 67.461 1.00 0.00 O ATOM 656 CB ARG A 43 55.237 -61.663 70.056 1.00 0.00 C ATOM 657 CG ARG A 43 55.767 -61.555 71.488 1.00 0.00 C ATOM 658 CD ARG A 43 54.997 -60.466 72.236 1.00 0.00 C ATOM 659 NE ARG A 43 55.090 -59.199 71.519 1.00 0.00 N ATOM 660 CZ ARG A 43 54.575 -58.084 72.027 1.00 0.00 C ATOM 661 NH1 ARG A 43 53.974 -58.110 73.185 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.671 -56.962 71.367 1.00 0.00 N ATOM 0 H ARG A 43 58.294 -62.358 69.694 1.00 0.00 H new ATOM 0 HA ARG A 43 56.347 -63.434 69.534 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.052 -60.669 69.649 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.284 -62.193 70.048 1.00 0.00 H new ATOM 0 HG2 ARG A 43 55.657 -62.511 72.001 1.00 0.00 H new ATOM 0 HG3 ARG A 43 56.831 -61.320 71.476 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.952 -60.757 72.341 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.399 -60.353 73.243 1.00 0.00 H new ATOM 0 HE ARG A 43 55.558 -59.168 70.613 1.00 0.00 H new ATOM 0 HH11 ARG A 43 53.899 -58.987 73.701 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.579 -57.254 73.574 1.00 0.00 H new ATOM 0 HH21 ARG A 43 55.141 -56.941 70.462 1.00 0.00 H new ATOM 0 HH22 ARG A 43 54.276 -56.106 71.756 1.00 0.00 H new ATOM 676 N ASN A 44 56.719 -62.196 66.817 1.00 0.00 N ATOM 677 CA ASN A 44 56.386 -62.177 65.397 1.00 0.00 C ATOM 678 C ASN A 44 56.631 -63.546 64.771 1.00 0.00 C ATOM 679 O ASN A 44 57.687 -64.148 64.964 1.00 0.00 O ATOM 680 CB ASN A 44 57.233 -61.126 64.676 1.00 0.00 C ATOM 681 CG ASN A 44 58.631 -61.674 64.414 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.205 -62.350 65.268 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.218 -61.421 63.276 1.00 0.00 N ATOM 0 H ASN A 44 57.704 -62.035 67.025 1.00 0.00 H new ATOM 0 HA ASN A 44 55.330 -61.926 65.294 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.760 -60.849 63.734 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.295 -60.221 65.280 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.154 -61.784 63.093 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.741 -60.861 62.570 1.00 0.00 H new ATOM 690 N LEU A 45 55.647 -64.033 64.021 1.00 0.00 N ATOM 691 CA LEU A 45 55.772 -65.328 63.362 1.00 0.00 C ATOM 692 C LEU A 45 56.949 -65.324 62.392 1.00 0.00 C ATOM 693 O LEU A 45 56.964 -64.566 61.422 1.00 0.00 O ATOM 694 CB LEU A 45 54.484 -65.654 62.603 1.00 0.00 C ATOM 695 CG LEU A 45 53.278 -65.180 63.415 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.989 -65.559 62.683 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.297 -65.848 64.791 1.00 0.00 C ATOM 0 H LEU A 45 54.761 -63.555 63.855 1.00 0.00 H new ATOM 0 HA LEU A 45 55.947 -66.087 64.124 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.492 -65.169 61.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.416 -66.727 62.425 1.00 0.00 H new ATOM 0 HG LEU A 45 53.323 -64.098 63.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.129 -65.221 63.262 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.975 -65.085 61.702 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.943 -66.641 62.563 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.438 -65.511 65.371 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.252 -66.930 64.671 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.215 -65.579 65.313 1.00 0.00 H new ATOM 709 N GLN A 46 57.933 -66.176 62.661 1.00 0.00 N ATOM 710 CA GLN A 46 59.110 -66.263 61.804 1.00 0.00 C ATOM 711 C GLN A 46 59.263 -67.675 61.247 1.00 0.00 C ATOM 712 O GLN A 46 59.091 -68.659 61.967 1.00 0.00 O ATOM 713 CB GLN A 46 60.363 -65.886 62.597 1.00 0.00 C ATOM 714 CG GLN A 46 60.319 -64.396 62.942 1.00 0.00 C ATOM 715 CD GLN A 46 61.588 -63.996 63.688 1.00 0.00 C ATOM 716 OE1 GLN A 46 62.274 -64.850 64.250 1.00 0.00 O ATOM 717 NE2 GLN A 46 61.943 -62.741 63.726 1.00 0.00 N ATOM 0 H GLN A 46 57.940 -66.811 63.459 1.00 0.00 H new ATOM 0 HA GLN A 46 58.984 -65.568 60.973 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.421 -66.480 63.509 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.256 -66.109 62.014 1.00 0.00 H new ATOM 0 HG2 GLN A 46 60.222 -63.806 62.031 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.444 -64.182 63.555 1.00 0.00 H new ATOM 0 HE21 GLN A 46 61.373 -62.035 63.260 1.00 0.00 H new ATOM 0 HE22 GLN A 46 62.791 -62.466 64.222 1.00 0.00 H new ATOM 726 N CYS A 47 59.588 -67.767 59.962 1.00 0.00 N ATOM 727 CA CYS A 47 59.786 -69.064 59.325 1.00 0.00 C ATOM 728 C CYS A 47 61.209 -69.563 59.555 1.00 0.00 C ATOM 729 O CYS A 47 62.177 -68.906 59.172 1.00 0.00 O ATOM 730 CB CYS A 47 59.529 -68.966 57.816 1.00 0.00 C ATOM 731 SG CYS A 47 57.759 -68.753 57.504 1.00 0.00 S ATOM 0 H CYS A 47 59.719 -66.966 59.345 1.00 0.00 H new ATOM 0 HA CYS A 47 59.080 -69.766 59.769 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.084 -68.127 57.398 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.889 -69.866 57.318 1.00 0.00 H new ATOM 736 N ILE A 48 61.327 -70.728 60.183 1.00 0.00 N ATOM 737 CA ILE A 48 62.638 -71.302 60.467 1.00 0.00 C ATOM 738 C ILE A 48 62.957 -72.422 59.482 1.00 0.00 C ATOM 739 O ILE A 48 62.601 -73.579 59.705 1.00 0.00 O ATOM 740 CB ILE A 48 62.670 -71.851 61.894 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.524 -70.697 62.887 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.002 -72.565 62.136 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.626 -71.236 64.315 1.00 0.00 C ATOM 0 H ILE A 48 60.538 -71.290 60.503 1.00 0.00 H new ATOM 0 HA ILE A 48 63.387 -70.517 60.363 1.00 0.00 H new ATOM 0 HB ILE A 48 61.849 -72.555 62.031 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.300 -69.952 62.712 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.566 -70.198 62.743 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.025 -72.957 63.153 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.108 -73.387 61.428 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.822 -71.861 61.999 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.522 -70.413 65.023 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.834 -71.965 64.486 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.595 -71.715 64.455 1.00 0.00 H new ATOM 755 N CYS A 49 63.632 -72.070 58.392 1.00 0.00 N ATOM 756 CA CYS A 49 64.008 -73.058 57.387 1.00 0.00 C ATOM 757 C CYS A 49 64.929 -74.113 57.991 1.00 0.00 C ATOM 758 O CYS A 49 66.068 -73.822 58.354 1.00 0.00 O ATOM 759 CB CYS A 49 64.746 -72.373 56.234 1.00 0.00 C ATOM 760 SG CYS A 49 63.652 -72.195 54.803 1.00 0.00 S ATOM 0 H CYS A 49 63.928 -71.116 58.183 1.00 0.00 H new ATOM 0 HA CYS A 49 63.098 -73.534 57.022 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.101 -71.393 56.552 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.624 -72.956 55.958 1.00 0.00 H new ATOM 765 N ASP A 50 64.427 -75.340 58.095 1.00 0.00 N ATOM 766 CA ASP A 50 65.217 -76.433 58.650 1.00 0.00 C ATOM 767 C ASP A 50 65.807 -77.287 57.533 1.00 0.00 C ATOM 768 O ASP A 50 65.083 -77.789 56.673 1.00 0.00 O ATOM 769 CB ASP A 50 64.343 -77.304 59.554 1.00 0.00 C ATOM 770 CG ASP A 50 63.246 -77.971 58.731 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.510 -78.307 57.589 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.157 -78.137 59.256 1.00 0.00 O ATOM 0 H ASP A 50 63.485 -75.601 57.805 1.00 0.00 H new ATOM 0 HA ASP A 50 66.032 -76.007 59.236 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.954 -78.062 60.044 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.899 -76.695 60.341 1.00 0.00 H new ATOM 777 N TYR A 51 67.127 -77.447 57.551 1.00 0.00 N ATOM 778 CA TYR A 51 67.802 -78.260 56.547 1.00 0.00 C ATOM 779 C TYR A 51 68.191 -79.616 57.128 1.00 0.00 C ATOM 780 O TYR A 51 69.373 -79.950 57.211 1.00 0.00 O ATOM 781 CB TYR A 51 69.054 -77.539 56.047 1.00 0.00 C ATOM 782 CG TYR A 51 68.655 -76.441 55.090 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.321 -75.173 55.580 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.619 -76.692 53.713 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.951 -74.155 54.693 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.249 -75.674 52.826 1.00 0.00 C ATOM 787 CZ TYR A 51 67.914 -74.406 53.316 1.00 0.00 C ATOM 788 OH TYR A 51 67.549 -73.403 52.441 1.00 0.00 O ATOM 0 H TYR A 51 67.746 -77.027 58.245 1.00 0.00 H new ATOM 0 HA TYR A 51 67.117 -78.418 55.714 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.606 -77.120 56.889 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.719 -78.245 55.550 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.349 -74.980 56.642 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.877 -77.670 53.335 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.694 -73.176 55.071 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.222 -75.867 51.764 1.00 0.00 H new ATOM 0 HH TYR A 51 67.499 -73.765 51.532 1.00 0.00 H new ATOM 798 N CYS A 52 67.190 -80.393 57.529 1.00 0.00 N ATOM 799 CA CYS A 52 67.440 -81.709 58.105 1.00 0.00 C ATOM 800 C CYS A 52 66.135 -82.482 58.264 1.00 0.00 C ATOM 801 O CYS A 52 65.080 -82.039 57.810 1.00 0.00 O ATOM 802 CB CYS A 52 68.118 -81.561 59.469 1.00 0.00 C ATOM 803 SG CYS A 52 69.905 -81.389 59.239 1.00 0.00 S ATOM 0 H CYS A 52 66.205 -80.137 57.466 1.00 0.00 H new ATOM 0 HA CYS A 52 68.095 -82.261 57.431 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.722 -80.690 59.991 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.903 -82.430 60.090 1.00 0.00 H new ATOM 808 N GLU A 53 66.215 -83.640 58.911 1.00 0.00 N ATOM 809 CA GLU A 53 65.032 -84.466 59.127 1.00 0.00 C ATOM 810 C GLU A 53 64.472 -84.244 60.528 1.00 0.00 C ATOM 811 O GLU A 53 64.701 -85.046 61.433 1.00 0.00 O ATOM 812 CB GLU A 53 65.387 -85.943 58.946 1.00 0.00 C ATOM 813 CG GLU A 53 65.835 -86.188 57.503 1.00 0.00 C ATOM 814 CD GLU A 53 64.666 -85.968 56.550 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.539 -85.963 57.017 1.00 0.00 O ATOM 816 OE2 GLU A 53 64.914 -85.808 55.366 1.00 0.00 O ATOM 0 H GLU A 53 67.079 -84.026 59.292 1.00 0.00 H new ATOM 0 HA GLU A 53 64.275 -84.182 58.396 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.181 -86.224 59.637 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.524 -86.567 59.181 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.654 -85.515 57.249 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.214 -87.205 57.399 1.00 0.00 H new ATOM 823 N TYR A 54 63.735 -83.151 60.699 1.00 0.00 N ATOM 824 CA TYR A 54 63.141 -82.838 61.993 1.00 0.00 C ATOM 825 C TYR A 54 64.127 -83.126 63.120 1.00 0.00 C ATOM 826 CB TYR A 54 61.871 -83.666 62.199 1.00 0.00 C ATOM 827 CG TYR A 54 60.791 -83.173 61.266 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.917 -82.161 61.681 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.663 -83.728 59.988 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.915 -81.704 60.817 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.661 -83.271 59.123 1.00 0.00 C ATOM 832 CZ TYR A 54 58.787 -82.259 59.538 1.00 0.00 C ATOM 833 OH TYR A 54 57.799 -81.808 58.686 1.00 0.00 O ATOM 0 H TYR A 54 63.536 -82.472 59.964 1.00 0.00 H new ATOM 0 HA TYR A 54 62.890 -81.778 62.009 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.076 -84.720 62.010 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.537 -83.587 63.233 1.00 0.00 H new ATOM 0 HD1 TYR A 54 60.016 -81.733 62.668 1.00 0.00 H new ATOM 0 HD2 TYR A 54 61.337 -84.509 59.669 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.241 -80.923 61.137 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.562 -83.699 58.136 1.00 0.00 H new ATOM 0 HH TYR A 54 57.850 -82.297 57.838 1.00 0.00 H new TER 843 TYR A 54