USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 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= -1.96 K(o=-6.3,f=-10!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -4.3! C(o=-8.2!,f=-6.3!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.115) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 50:sc= -3.34! USER MOD Single : A 10 ASN : amide:sc= -1.95! C(o=-2!,f=-6!) USER MOD Single : A 11 TYR OH : rot 165:sc= 0.167 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0945 (180deg=-0.635) USER MOD Single : A 17 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5!) USER MOD Single : A 20 ASN : amide:sc= -0.0533 K(o=-0.053,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.31) 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+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.16 F(o=-0.95,f=-0.16) USER MOD Single : A 34 SER OG : rot -159:sc= -0.484! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -179:sc= -0.292 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.0678 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 68.052 -76.945 66.210 1.00 0.00 N ATOM 2 CA ASP A 2 69.395 -77.469 65.995 1.00 0.00 C ATOM 3 C ASP A 2 70.131 -76.646 64.943 1.00 0.00 C ATOM 4 O ASP A 2 69.653 -75.593 64.520 1.00 0.00 O ATOM 5 CB ASP A 2 69.321 -78.929 65.543 1.00 0.00 C ATOM 6 CG ASP A 2 68.744 -79.792 66.661 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.687 -79.314 67.782 1.00 0.00 O ATOM 8 OD2 ASP A 2 68.369 -80.918 66.379 1.00 0.00 O ATOM 0 HA ASP A 2 69.942 -77.407 66.936 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.700 -79.011 64.651 1.00 0.00 H new ATOM 0 HB3 ASP A 2 70.315 -79.286 65.273 1.00 0.00 H new ATOM 13 N LYS A 3 71.294 -77.133 64.525 1.00 0.00 N ATOM 14 CA LYS A 3 72.088 -76.433 63.521 1.00 0.00 C ATOM 15 C LYS A 3 71.318 -76.328 62.209 1.00 0.00 C ATOM 16 O LYS A 3 71.494 -75.374 61.449 1.00 0.00 O ATOM 17 CB LYS A 3 73.403 -77.175 63.285 1.00 0.00 C ATOM 18 CG LYS A 3 73.109 -78.613 62.849 1.00 0.00 C ATOM 19 CD LYS A 3 74.424 -79.338 62.561 1.00 0.00 C ATOM 20 CE LYS A 3 75.242 -79.444 63.849 1.00 0.00 C ATOM 21 NZ LYS A 3 76.150 -80.623 63.767 1.00 0.00 N ATOM 0 H LYS A 3 71.706 -78.003 64.862 1.00 0.00 H new ATOM 0 HA LYS A 3 72.299 -75.428 63.887 1.00 0.00 H new ATOM 0 HB2 LYS A 3 73.988 -76.665 62.520 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.001 -77.175 64.196 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.557 -79.135 63.630 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.479 -78.613 61.959 1.00 0.00 H new ATOM 0 HD2 LYS A 3 74.223 -80.332 62.162 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.990 -78.798 61.802 1.00 0.00 H new ATOM 0 HE2 LYS A 3 75.823 -78.534 63.999 1.00 0.00 H new ATOM 0 HE3 LYS A 3 74.577 -79.543 64.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 76.706 -80.695 64.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 75.586 -81.488 63.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 76.793 -80.510 62.957 1.00 0.00 H new ATOM 35 N CYS A 4 70.464 -77.312 61.948 1.00 0.00 N ATOM 36 CA CYS A 4 69.671 -77.319 60.723 1.00 0.00 C ATOM 37 C CYS A 4 68.520 -76.333 60.790 1.00 0.00 C ATOM 38 O CYS A 4 67.433 -76.703 60.343 1.00 0.00 O ATOM 39 CB CYS A 4 69.040 -78.697 60.519 1.00 0.00 C ATOM 40 SG CYS A 4 70.304 -79.976 60.721 1.00 0.00 S ATOM 0 H CYS A 4 70.303 -78.110 62.563 1.00 0.00 H new ATOM 0 HA CYS A 4 70.349 -77.053 59.912 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.235 -78.850 61.238 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.597 -78.762 59.525 1.00 0.00 H new ATOM 45 N LYS A 5 68.705 -75.142 61.348 1.00 0.00 N ATOM 46 CA LYS A 5 67.612 -74.182 61.458 1.00 0.00 C ATOM 47 C LYS A 5 68.049 -72.812 60.949 1.00 0.00 C ATOM 48 O LYS A 5 69.117 -72.317 61.310 1.00 0.00 O ATOM 49 CB LYS A 5 67.163 -74.068 62.916 1.00 0.00 C ATOM 50 CG LYS A 5 66.851 -75.462 63.465 1.00 0.00 C ATOM 51 CD LYS A 5 65.557 -75.981 62.835 1.00 0.00 C ATOM 52 CE LYS A 5 65.043 -77.179 63.638 1.00 0.00 C ATOM 53 NZ LYS A 5 66.024 -78.296 63.545 1.00 0.00 N ATOM 0 H LYS A 5 69.594 -74.819 61.729 1.00 0.00 H new ATOM 0 HA LYS A 5 66.780 -74.535 60.848 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.945 -73.597 63.512 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.281 -73.432 62.987 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.673 -76.143 63.246 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.750 -75.423 64.550 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.806 -75.191 62.819 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.735 -76.273 61.800 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.896 -76.896 64.680 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.074 -77.499 63.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.530 -79.203 63.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.486 -78.275 62.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.742 -78.191 64.290 1.00 0.00 H new ATOM 67 N LYS A 6 67.217 -72.206 60.109 1.00 0.00 N ATOM 68 CA LYS A 6 67.510 -70.877 59.583 1.00 0.00 C ATOM 69 C LYS A 6 66.323 -69.943 59.792 1.00 0.00 C ATOM 70 O LYS A 6 65.268 -70.120 59.185 1.00 0.00 O ATOM 71 CB LYS A 6 67.835 -70.967 58.090 1.00 0.00 C ATOM 72 CG LYS A 6 69.007 -71.927 57.878 1.00 0.00 C ATOM 73 CD LYS A 6 70.325 -71.169 58.043 1.00 0.00 C ATOM 74 CE LYS A 6 70.687 -70.479 56.727 1.00 0.00 C ATOM 75 NZ LYS A 6 71.516 -69.273 57.008 1.00 0.00 N ATOM 0 H LYS A 6 66.340 -72.610 59.779 1.00 0.00 H new ATOM 0 HA LYS A 6 68.370 -70.476 60.119 1.00 0.00 H new ATOM 0 HB2 LYS A 6 66.962 -71.315 57.538 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.085 -69.980 57.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.954 -72.746 58.595 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.952 -72.370 56.884 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.234 -70.431 58.840 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.118 -71.857 58.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.234 -71.167 56.082 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.781 -70.194 56.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 71.762 -68.804 56.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.979 -68.614 57.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.387 -69.557 57.500 1.00 0.00 H new ATOM 89 N VAL A 7 66.505 -68.947 60.653 1.00 0.00 N ATOM 90 CA VAL A 7 65.424 -68.022 60.972 1.00 0.00 C ATOM 91 C VAL A 7 65.203 -67.041 59.824 1.00 0.00 C ATOM 92 O VAL A 7 66.157 -66.506 59.260 1.00 0.00 O ATOM 93 CB VAL A 7 65.757 -67.248 62.249 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.569 -66.365 62.636 1.00 0.00 C ATOM 95 CG2 VAL A 7 66.047 -68.237 63.381 1.00 0.00 C ATOM 0 H VAL A 7 67.383 -68.761 61.138 1.00 0.00 H new ATOM 0 HA VAL A 7 64.512 -68.598 61.125 1.00 0.00 H new ATOM 0 HB VAL A 7 66.633 -66.622 62.077 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.807 -65.814 63.546 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.360 -65.662 61.830 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.692 -66.990 62.809 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.285 -67.688 64.292 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.170 -68.862 63.552 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.893 -68.867 63.106 1.00 0.00 H new ATOM 105 N TYR A 8 63.939 -66.811 59.484 1.00 0.00 N ATOM 106 CA TYR A 8 63.605 -65.860 58.430 1.00 0.00 C ATOM 107 C TYR A 8 63.470 -64.451 59.002 1.00 0.00 C ATOM 108 O TYR A 8 62.719 -64.225 59.951 1.00 0.00 O ATOM 109 CB TYR A 8 62.293 -66.267 57.758 1.00 0.00 C ATOM 110 CG TYR A 8 62.591 -67.081 56.522 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.471 -68.168 56.596 1.00 0.00 C ATOM 112 CD2 TYR A 8 61.988 -66.751 55.303 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.749 -68.923 55.450 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.266 -67.506 54.157 1.00 0.00 C ATOM 115 CZ TYR A 8 63.146 -68.592 54.231 1.00 0.00 C ATOM 116 OH TYR A 8 63.419 -69.337 53.102 1.00 0.00 O ATOM 0 H TYR A 8 63.136 -67.265 59.918 1.00 0.00 H new ATOM 0 HA TYR A 8 64.408 -65.865 57.693 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.683 -66.847 58.450 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.718 -65.380 57.492 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.935 -68.424 57.537 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.308 -65.914 55.246 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.429 -69.761 55.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.801 -67.250 53.216 1.00 0.00 H new ATOM 0 HH TYR A 8 63.306 -70.289 53.303 1.00 0.00 H new ATOM 126 N GLU A 9 64.204 -63.509 58.419 1.00 0.00 N ATOM 127 CA GLU A 9 64.152 -62.124 58.872 1.00 0.00 C ATOM 128 C GLU A 9 63.411 -61.255 57.861 1.00 0.00 C ATOM 129 O GLU A 9 63.650 -61.347 56.657 1.00 0.00 O ATOM 130 CB GLU A 9 65.571 -61.585 59.068 1.00 0.00 C ATOM 131 CG GLU A 9 66.279 -62.393 60.156 1.00 0.00 C ATOM 132 CD GLU A 9 66.692 -63.755 59.610 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.687 -63.912 58.399 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.009 -64.621 60.409 1.00 0.00 O ATOM 0 H GLU A 9 64.837 -63.677 57.638 1.00 0.00 H new ATOM 0 HA GLU A 9 63.617 -62.093 59.821 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.128 -61.648 58.133 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.536 -60.532 59.347 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.157 -61.852 60.509 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.618 -62.521 61.013 1.00 0.00 H new ATOM 141 N ASN A 10 62.512 -60.413 58.358 1.00 0.00 N ATOM 142 CA ASN A 10 61.757 -59.517 57.491 1.00 0.00 C ATOM 143 C ASN A 10 60.804 -60.308 56.602 1.00 0.00 C ATOM 144 O ASN A 10 60.888 -60.246 55.375 1.00 0.00 O ATOM 145 CB ASN A 10 62.715 -58.702 56.620 1.00 0.00 C ATOM 146 CG ASN A 10 63.928 -58.274 57.439 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.967 -58.489 58.650 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.926 -57.676 56.846 1.00 0.00 N ATOM 0 H ASN A 10 62.289 -60.332 59.350 1.00 0.00 H new ATOM 0 HA ASN A 10 61.174 -58.842 58.117 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.035 -59.295 55.764 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.204 -57.824 56.226 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.741 -57.386 57.387 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.891 -57.499 55.842 1.00 0.00 H new ATOM 155 N TYR A 11 59.898 -61.052 57.228 1.00 0.00 N ATOM 156 CA TYR A 11 58.914 -61.829 56.483 1.00 0.00 C ATOM 157 C TYR A 11 57.515 -61.600 57.046 1.00 0.00 C ATOM 158 O TYR A 11 57.305 -61.651 58.257 1.00 0.00 O ATOM 159 CB TYR A 11 59.260 -63.318 56.558 1.00 0.00 C ATOM 160 CG TYR A 11 60.115 -63.697 55.373 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.475 -63.370 55.359 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.546 -64.374 54.287 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.268 -63.721 54.258 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.338 -64.725 53.188 1.00 0.00 C ATOM 165 CZ TYR A 11 61.699 -64.398 53.173 1.00 0.00 C ATOM 166 OH TYR A 11 62.480 -64.744 52.090 1.00 0.00 O ATOM 0 H TYR A 11 59.825 -61.133 58.242 1.00 0.00 H new ATOM 0 HA TYR A 11 58.932 -61.504 55.443 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.790 -63.533 57.486 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.348 -63.914 56.567 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.914 -62.847 56.196 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.496 -64.625 54.298 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.318 -63.469 54.247 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.899 -65.248 52.351 1.00 0.00 H new ATOM 0 HH TYR A 11 62.007 -65.405 51.543 1.00 0.00 H new ATOM 176 N PRO A 12 56.566 -61.348 56.186 1.00 0.00 N ATOM 177 CA PRO A 12 55.152 -61.107 56.591 1.00 0.00 C ATOM 178 C PRO A 12 54.662 -62.131 57.611 1.00 0.00 C ATOM 179 O PRO A 12 54.715 -63.337 57.370 1.00 0.00 O ATOM 180 CB PRO A 12 54.374 -61.239 55.279 1.00 0.00 C ATOM 181 CG PRO A 12 55.352 -60.892 54.204 1.00 0.00 C ATOM 182 CD PRO A 12 56.740 -61.269 54.728 1.00 0.00 C ATOM 0 HA PRO A 12 55.026 -60.139 57.076 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.990 -62.251 55.150 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.516 -60.568 55.261 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.125 -61.434 53.286 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.304 -59.829 53.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.077 -62.220 54.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.485 -60.521 54.456 1.00 0.00 H new ATOM 190 N VAL A 13 54.183 -61.642 58.751 1.00 0.00 N ATOM 191 CA VAL A 13 53.675 -62.523 59.795 1.00 0.00 C ATOM 192 C VAL A 13 52.286 -63.038 59.432 1.00 0.00 C ATOM 193 O VAL A 13 51.988 -64.221 59.604 1.00 0.00 O ATOM 194 CB VAL A 13 53.609 -61.772 61.126 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.984 -61.187 61.451 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.587 -60.637 61.020 1.00 0.00 C ATOM 0 H VAL A 13 54.136 -60.648 58.974 1.00 0.00 H new ATOM 0 HA VAL A 13 54.353 -63.371 59.889 1.00 0.00 H new ATOM 0 HB VAL A 13 53.310 -62.460 61.917 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.937 -60.652 62.399 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.714 -61.993 61.525 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.283 -60.499 60.660 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.539 -60.101 61.968 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.887 -59.950 60.229 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.606 -61.051 60.787 1.00 0.00 H new ATOM 206 N SER A 14 51.442 -62.144 58.928 1.00 0.00 N ATOM 207 CA SER A 14 50.082 -62.518 58.556 1.00 0.00 C ATOM 208 C SER A 14 50.091 -63.760 57.671 1.00 0.00 C ATOM 209 O SER A 14 49.216 -64.619 57.781 1.00 0.00 O ATOM 210 CB SER A 14 49.409 -61.363 57.812 1.00 0.00 C ATOM 211 OG SER A 14 49.457 -60.194 58.618 1.00 0.00 O ATOM 0 H SER A 14 51.673 -61.163 58.769 1.00 0.00 H new ATOM 0 HA SER A 14 49.523 -62.739 59.466 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.913 -61.185 56.862 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.375 -61.617 57.581 1.00 0.00 H new ATOM 0 HG SER A 14 49.028 -59.452 58.143 1.00 0.00 H new ATOM 217 N LYS A 15 51.085 -63.847 56.793 1.00 0.00 N ATOM 218 CA LYS A 15 51.205 -64.995 55.901 1.00 0.00 C ATOM 219 C LYS A 15 51.579 -66.246 56.688 1.00 0.00 C ATOM 220 O LYS A 15 51.198 -67.359 56.321 1.00 0.00 O ATOM 221 CB LYS A 15 52.270 -64.721 54.837 1.00 0.00 C ATOM 222 CG LYS A 15 51.803 -63.580 53.930 1.00 0.00 C ATOM 223 CD LYS A 15 52.755 -63.455 52.738 1.00 0.00 C ATOM 224 CE LYS A 15 52.380 -62.224 51.911 1.00 0.00 C ATOM 225 NZ LYS A 15 50.946 -62.310 51.515 1.00 0.00 N ATOM 0 H LYS A 15 51.814 -63.142 56.680 1.00 0.00 H new ATOM 0 HA LYS A 15 50.242 -65.158 55.416 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.215 -64.458 55.312 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.449 -65.619 54.246 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.788 -63.771 53.581 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.777 -62.644 54.488 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.784 -63.371 53.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.701 -64.351 52.120 1.00 0.00 H new ATOM 0 HE2 LYS A 15 52.555 -61.317 52.490 1.00 0.00 H new ATOM 0 HE3 LYS A 15 53.010 -62.163 51.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 50.765 -61.662 50.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 50.724 -63.283 51.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 50.346 -62.045 52.322 1.00 0.00 H new ATOM 239 N CYS A 16 52.328 -66.058 57.770 1.00 0.00 N ATOM 240 CA CYS A 16 52.748 -67.179 58.601 1.00 0.00 C ATOM 241 C CYS A 16 51.546 -67.811 59.295 1.00 0.00 C ATOM 242 O CYS A 16 51.665 -68.853 59.939 1.00 0.00 O ATOM 243 CB CYS A 16 53.754 -66.703 59.651 1.00 0.00 C ATOM 244 SG CYS A 16 55.226 -67.755 59.595 1.00 0.00 S ATOM 0 H CYS A 16 52.654 -65.146 58.090 1.00 0.00 H new ATOM 0 HA CYS A 16 53.218 -67.926 57.961 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.028 -65.665 59.463 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.305 -66.740 60.644 1.00 0.00 H new ATOM 249 N GLN A 17 50.388 -67.172 59.162 1.00 0.00 N ATOM 250 CA GLN A 17 49.169 -67.685 59.775 1.00 0.00 C ATOM 251 C GLN A 17 48.787 -69.029 59.163 1.00 0.00 C ATOM 252 O GLN A 17 47.862 -69.693 59.628 1.00 0.00 O ATOM 253 CB GLN A 17 48.025 -66.689 59.577 1.00 0.00 C ATOM 254 CG GLN A 17 47.575 -66.711 58.115 1.00 0.00 C ATOM 255 CD GLN A 17 46.734 -65.476 57.809 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.956 -64.413 58.390 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.776 -65.552 56.926 1.00 0.00 N ATOM 0 H GLN A 17 50.269 -66.304 58.639 1.00 0.00 H new ATOM 0 HA GLN A 17 49.351 -67.822 60.841 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.190 -66.944 60.229 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.350 -65.686 59.853 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.445 -66.740 57.459 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.996 -67.613 57.918 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.594 -66.433 56.446 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.210 -64.730 56.716 1.00 0.00 H new ATOM 266 N LEU A 18 49.506 -69.423 58.116 1.00 0.00 N ATOM 267 CA LEU A 18 49.248 -70.699 57.460 1.00 0.00 C ATOM 268 C LEU A 18 50.526 -71.526 57.375 1.00 0.00 C ATOM 269 O LEU A 18 51.351 -71.324 56.484 1.00 0.00 O ATOM 270 CB LEU A 18 48.698 -70.459 56.052 1.00 0.00 C ATOM 271 CG LEU A 18 47.190 -70.218 56.127 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.751 -69.350 54.946 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.457 -71.560 56.072 1.00 0.00 C ATOM 0 H LEU A 18 50.267 -68.881 57.706 1.00 0.00 H new ATOM 0 HA LEU A 18 48.513 -71.248 58.049 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.192 -69.600 55.599 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.908 -71.319 55.417 1.00 0.00 H new ATOM 0 HG LEU A 18 46.950 -69.709 57.060 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.676 -69.179 55.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.273 -68.394 54.983 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.991 -69.858 54.012 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.382 -71.390 56.125 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.698 -72.068 55.138 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.768 -72.179 56.913 1.00 0.00 H new ATOM 285 N ALA A 19 50.684 -72.458 58.309 1.00 0.00 N ATOM 286 CA ALA A 19 51.867 -73.310 58.333 1.00 0.00 C ATOM 287 C ALA A 19 52.173 -73.842 56.937 1.00 0.00 C ATOM 288 O ALA A 19 53.238 -74.413 56.700 1.00 0.00 O ATOM 289 CB ALA A 19 51.648 -74.483 59.291 1.00 0.00 C ATOM 0 H ALA A 19 50.013 -72.642 59.055 1.00 0.00 H new ATOM 0 HA ALA A 19 52.713 -72.714 58.676 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.537 -75.114 59.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.460 -74.103 60.295 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.791 -75.069 58.959 1.00 0.00 H new ATOM 295 N ASN A 20 51.234 -73.650 56.016 1.00 0.00 N ATOM 296 CA ASN A 20 51.419 -74.110 54.644 1.00 0.00 C ATOM 297 C ASN A 20 52.195 -73.076 53.832 1.00 0.00 C ATOM 298 O ASN A 20 53.055 -73.427 53.025 1.00 0.00 O ATOM 299 CB ASN A 20 50.060 -74.359 53.989 1.00 0.00 C ATOM 300 CG ASN A 20 49.426 -75.620 54.568 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.104 -76.414 55.219 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.158 -75.852 54.367 1.00 0.00 N ATOM 0 H ASN A 20 50.344 -73.183 56.192 1.00 0.00 H new ATOM 0 HA ASN A 20 51.987 -75.040 54.666 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.405 -73.504 54.154 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.180 -74.464 52.911 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.726 -76.693 54.750 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.598 -75.192 53.827 1.00 0.00 H new ATOM 309 N GLN A 21 51.882 -71.803 54.051 1.00 0.00 N ATOM 310 CA GLN A 21 52.561 -70.727 53.339 1.00 0.00 C ATOM 311 C GLN A 21 53.979 -70.541 53.871 1.00 0.00 C ATOM 312 O GLN A 21 54.930 -70.412 53.100 1.00 0.00 O ATOM 313 CB GLN A 21 51.780 -69.421 53.498 1.00 0.00 C ATOM 314 CG GLN A 21 50.544 -69.451 52.598 1.00 0.00 C ATOM 315 CD GLN A 21 50.961 -69.346 51.136 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.569 -68.355 50.733 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.670 -70.315 50.312 1.00 0.00 N ATOM 0 H GLN A 21 51.168 -71.493 54.710 1.00 0.00 H new ATOM 0 HA GLN A 21 52.614 -70.993 52.283 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.482 -69.288 54.538 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.413 -68.573 53.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.988 -70.374 52.761 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.877 -68.628 52.855 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.166 -71.136 50.648 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.947 -70.252 49.332 1.00 0.00 H new ATOM 326 N CYS A 22 54.111 -70.528 55.192 1.00 0.00 N ATOM 327 CA CYS A 22 55.415 -70.338 55.819 1.00 0.00 C ATOM 328 C CYS A 22 56.415 -71.368 55.301 1.00 0.00 C ATOM 329 O CYS A 22 57.451 -71.012 54.738 1.00 0.00 O ATOM 330 CB CYS A 22 55.288 -70.467 57.337 1.00 0.00 C ATOM 331 SG CYS A 22 56.937 -70.491 58.082 1.00 0.00 S ATOM 0 H CYS A 22 53.338 -70.646 55.847 1.00 0.00 H new ATOM 0 HA CYS A 22 55.775 -69.340 55.568 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.709 -69.634 57.736 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.749 -71.380 57.591 1.00 0.00 H new ATOM 336 N ASN A 23 56.101 -72.643 55.499 1.00 0.00 N ATOM 337 CA ASN A 23 56.992 -73.715 55.070 1.00 0.00 C ATOM 338 C ASN A 23 57.258 -73.627 53.570 1.00 0.00 C ATOM 339 O ASN A 23 58.401 -73.732 53.127 1.00 0.00 O ATOM 340 CB ASN A 23 56.369 -75.073 55.401 1.00 0.00 C ATOM 341 CG ASN A 23 54.952 -75.146 54.847 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.291 -74.120 54.691 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.441 -76.307 54.537 1.00 0.00 N ATOM 0 H ASN A 23 55.243 -72.959 55.951 1.00 0.00 H new ATOM 0 HA ASN A 23 57.938 -73.609 55.600 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.975 -75.873 54.977 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.354 -75.222 56.481 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.493 -76.364 54.165 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.990 -77.157 54.667 1.00 0.00 H new ATOM 350 N TYR A 24 56.195 -73.439 52.795 1.00 0.00 N ATOM 351 CA TYR A 24 56.327 -73.332 51.347 1.00 0.00 C ATOM 352 C TYR A 24 57.245 -72.171 50.974 1.00 0.00 C ATOM 353 O TYR A 24 58.254 -72.359 50.295 1.00 0.00 O ATOM 354 CB TYR A 24 54.952 -73.121 50.712 1.00 0.00 C ATOM 355 CG TYR A 24 54.367 -74.456 50.319 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.191 -75.455 51.285 1.00 0.00 C ATOM 357 CD2 TYR A 24 54.002 -74.697 48.989 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.649 -76.693 50.921 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.459 -75.936 48.625 1.00 0.00 C ATOM 360 CZ TYR A 24 53.283 -76.933 49.591 1.00 0.00 C ATOM 361 OH TYR A 24 52.748 -78.154 49.233 1.00 0.00 O ATOM 0 H TYR A 24 55.239 -73.358 53.142 1.00 0.00 H new ATOM 0 HA TYR A 24 56.763 -74.258 50.973 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.290 -72.615 51.414 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.039 -72.478 49.836 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.474 -75.270 52.311 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.139 -73.928 48.244 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.513 -77.463 51.666 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.176 -76.122 47.599 1.00 0.00 H new ATOM 0 HH TYR A 24 52.548 -78.155 48.274 1.00 0.00 H new ATOM 371 N ASP A 25 56.887 -70.973 51.422 1.00 0.00 N ATOM 372 CA ASP A 25 57.685 -69.788 51.127 1.00 0.00 C ATOM 373 C ASP A 25 59.145 -70.011 51.512 1.00 0.00 C ATOM 374 O ASP A 25 60.055 -69.599 50.794 1.00 0.00 O ATOM 375 CB ASP A 25 57.134 -68.584 51.893 1.00 0.00 C ATOM 376 CG ASP A 25 55.762 -68.205 51.350 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.409 -68.697 50.290 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.082 -67.426 52.000 1.00 0.00 O ATOM 0 H ASP A 25 56.056 -70.797 51.987 1.00 0.00 H new ATOM 0 HA ASP A 25 57.630 -69.596 50.056 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.062 -68.820 52.955 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.817 -67.740 51.800 1.00 0.00 H new ATOM 383 N CYS A 26 59.359 -70.667 52.647 1.00 0.00 N ATOM 384 CA CYS A 26 60.713 -70.940 53.116 1.00 0.00 C ATOM 385 C CYS A 26 61.514 -71.678 52.048 1.00 0.00 C ATOM 386 O CYS A 26 62.637 -71.292 51.724 1.00 0.00 O ATOM 387 CB CYS A 26 60.664 -71.783 54.393 1.00 0.00 C ATOM 388 SG CYS A 26 61.994 -71.268 55.506 1.00 0.00 S ATOM 0 H CYS A 26 58.619 -71.017 53.255 1.00 0.00 H new ATOM 0 HA CYS A 26 61.202 -69.989 53.327 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.698 -71.664 54.884 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.769 -72.840 54.148 1.00 0.00 H new ATOM 393 N LYS A 27 60.929 -72.741 51.506 1.00 0.00 N ATOM 394 CA LYS A 27 61.598 -73.527 50.476 1.00 0.00 C ATOM 395 C LYS A 27 61.794 -72.701 49.210 1.00 0.00 C ATOM 396 O LYS A 27 62.898 -72.625 48.670 1.00 0.00 O ATOM 397 CB LYS A 27 60.772 -74.774 50.152 1.00 0.00 C ATOM 398 CG LYS A 27 60.532 -75.574 51.433 1.00 0.00 C ATOM 399 CD LYS A 27 59.999 -76.963 51.076 1.00 0.00 C ATOM 400 CE LYS A 27 58.795 -76.825 50.144 1.00 0.00 C ATOM 401 NZ LYS A 27 58.009 -78.092 50.155 1.00 0.00 N ATOM 0 H LYS A 27 60.000 -73.076 51.760 1.00 0.00 H new ATOM 0 HA LYS A 27 62.576 -73.826 50.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.820 -74.487 49.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.294 -75.389 49.419 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.460 -75.663 51.998 1.00 0.00 H new ATOM 0 HG3 LYS A 27 59.819 -75.053 52.072 1.00 0.00 H new ATOM 0 HD2 LYS A 27 60.780 -77.551 50.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 59.712 -77.497 51.982 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.168 -75.993 50.464 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.130 -76.601 49.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.190 -77.998 49.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 58.610 -78.876 49.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 57.678 -78.287 51.121 1.00 0.00 H new ATOM 415 N LEU A 28 60.716 -72.082 48.739 1.00 0.00 N ATOM 416 CA LEU A 28 60.773 -71.293 47.515 1.00 0.00 C ATOM 417 C LEU A 28 61.865 -70.232 47.609 1.00 0.00 C ATOM 418 O LEU A 28 62.436 -69.824 46.598 1.00 0.00 O ATOM 419 CB LEU A 28 59.423 -70.616 47.266 1.00 0.00 C ATOM 420 CG LEU A 28 58.336 -71.682 47.125 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.964 -71.009 47.068 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.568 -72.479 45.839 1.00 0.00 C ATOM 0 H LEU A 28 59.798 -72.111 49.183 1.00 0.00 H new ATOM 0 HA LEU A 28 61.003 -71.962 46.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.184 -69.944 48.090 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.470 -70.008 46.363 1.00 0.00 H new ATOM 0 HG LEU A 28 58.374 -72.355 47.982 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.190 -71.769 46.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.799 -70.442 47.984 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.924 -70.335 46.212 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.794 -73.239 45.737 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.531 -71.806 44.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.545 -72.960 45.880 1.00 0.00 H new ATOM 434 N ASP A 29 62.151 -69.791 48.829 1.00 0.00 N ATOM 435 CA ASP A 29 63.147 -68.745 49.037 1.00 0.00 C ATOM 436 C ASP A 29 64.512 -69.356 49.334 1.00 0.00 C ATOM 437 O ASP A 29 65.507 -69.017 48.692 1.00 0.00 O ATOM 438 CB ASP A 29 62.724 -67.846 50.201 1.00 0.00 C ATOM 439 CG ASP A 29 61.437 -67.109 49.849 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.186 -66.924 48.668 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.719 -66.739 50.763 1.00 0.00 O ATOM 0 H ASP A 29 61.712 -70.137 49.682 1.00 0.00 H new ATOM 0 HA ASP A 29 63.218 -68.151 48.126 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.576 -68.446 51.099 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.514 -67.129 50.423 1.00 0.00 H new ATOM 446 N LYS A 30 64.553 -70.256 50.310 1.00 0.00 N ATOM 447 CA LYS A 30 65.817 -70.843 50.742 1.00 0.00 C ATOM 448 C LYS A 30 65.905 -72.304 50.311 1.00 0.00 C ATOM 449 O LYS A 30 66.982 -72.900 50.321 1.00 0.00 O ATOM 450 CB LYS A 30 65.943 -70.750 52.264 1.00 0.00 C ATOM 451 CG LYS A 30 65.978 -69.279 52.683 1.00 0.00 C ATOM 452 CD LYS A 30 67.414 -68.758 52.606 1.00 0.00 C ATOM 453 CE LYS A 30 67.471 -67.333 53.159 1.00 0.00 C ATOM 454 NZ LYS A 30 66.893 -66.390 52.161 1.00 0.00 N ATOM 0 H LYS A 30 63.733 -70.593 50.814 1.00 0.00 H new ATOM 0 HA LYS A 30 66.631 -70.289 50.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.103 -71.255 52.741 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.850 -71.256 52.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.331 -68.690 52.033 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.595 -69.170 53.698 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.079 -69.407 53.176 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.762 -68.773 51.573 1.00 0.00 H new ATOM 0 HE2 LYS A 30 66.917 -67.273 54.096 1.00 0.00 H new ATOM 0 HE3 LYS A 30 68.502 -67.058 53.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 67.008 -65.413 52.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 67.385 -66.502 51.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 65.881 -66.596 52.034 1.00 0.00 H new ATOM 468 N HIS A 31 64.766 -72.873 49.931 1.00 0.00 N ATOM 469 CA HIS A 31 64.728 -74.261 49.484 1.00 0.00 C ATOM 470 C HIS A 31 65.095 -75.204 50.626 1.00 0.00 C ATOM 471 O HIS A 31 65.992 -76.036 50.493 1.00 0.00 O ATOM 472 CB HIS A 31 65.704 -74.461 48.323 1.00 0.00 C ATOM 473 CG HIS A 31 65.414 -73.454 47.244 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.703 -72.117 47.135 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.734 -73.789 46.083 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 65.213 -71.628 45.928 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.639 -72.677 45.333 1.00 0.00 N flip ATOM 0 H HIS A 31 63.863 -72.399 49.923 1.00 0.00 H new ATOM 0 HA HIS A 31 63.715 -74.488 49.152 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.730 -74.349 48.673 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.611 -75.472 47.926 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.350 -74.766 45.827 1.00 0.00 H new ATOM 0 HE1 HIS A 31 65.282 -70.618 45.553 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.184 -72.639 44.421 1.00 0.00 H new ATOM 485 N ALA A 32 64.394 -75.068 51.747 1.00 0.00 N ATOM 486 CA ALA A 32 64.632 -75.936 52.894 1.00 0.00 C ATOM 487 C ALA A 32 63.687 -77.132 52.865 1.00 0.00 C ATOM 488 O ALA A 32 63.007 -77.373 51.868 1.00 0.00 O ATOM 489 CB ALA A 32 64.428 -75.153 54.192 1.00 0.00 C ATOM 0 H ALA A 32 63.662 -74.371 51.885 1.00 0.00 H new ATOM 0 HA ALA A 32 65.659 -76.298 52.846 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.608 -75.808 55.044 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.125 -74.315 54.225 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.406 -74.776 54.233 1.00 0.00 H new ATOM 495 N ARG A 33 63.649 -77.878 53.964 1.00 0.00 N ATOM 496 CA ARG A 33 62.774 -79.040 54.057 1.00 0.00 C ATOM 497 C ARG A 33 61.333 -78.607 54.312 1.00 0.00 C ATOM 498 O ARG A 33 60.419 -78.995 53.584 1.00 0.00 O ATOM 499 CB ARG A 33 63.240 -79.957 55.188 1.00 0.00 C ATOM 500 CG ARG A 33 64.719 -80.296 54.994 1.00 0.00 C ATOM 501 CD ARG A 33 64.848 -81.531 54.101 1.00 0.00 C ATOM 502 NE ARG A 33 66.204 -81.635 53.576 1.00 0.00 N ATOM 503 CZ ARG A 33 67.170 -82.216 54.279 1.00 0.00 C ATOM 504 NH1 ARG A 33 66.912 -82.705 55.461 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.377 -82.298 53.788 1.00 0.00 N ATOM 0 H ARG A 33 64.210 -77.700 54.797 1.00 0.00 H new ATOM 0 HA ARG A 33 62.818 -79.580 53.111 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.091 -79.469 56.151 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.645 -80.870 55.198 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.240 -79.452 54.542 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.190 -80.482 55.959 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.601 -82.427 54.670 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.136 -81.470 53.278 1.00 0.00 H new ATOM 0 HE ARG A 33 66.415 -81.255 52.653 1.00 0.00 H new ATOM 0 HH11 ARG A 33 65.969 -82.641 55.845 1.00 0.00 H new ATOM 0 HH12 ARG A 33 67.653 -83.151 56.001 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.579 -81.916 52.864 1.00 0.00 H new ATOM 0 HH22 ARG A 33 69.118 -82.744 54.328 1.00 0.00 H new ATOM 519 N SER A 34 61.137 -77.801 55.351 1.00 0.00 N ATOM 520 CA SER A 34 59.806 -77.304 55.678 1.00 0.00 C ATOM 521 C SER A 34 59.831 -75.791 55.872 1.00 0.00 C ATOM 522 O SER A 34 59.424 -75.034 54.989 1.00 0.00 O ATOM 523 CB SER A 34 59.296 -77.975 56.953 1.00 0.00 C ATOM 524 OG SER A 34 60.341 -78.008 57.917 1.00 0.00 O ATOM 0 H SER A 34 61.877 -77.480 55.976 1.00 0.00 H new ATOM 0 HA SER A 34 59.137 -77.542 54.851 1.00 0.00 H new ATOM 0 HB2 SER A 34 58.439 -77.429 57.347 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.956 -78.987 56.734 1.00 0.00 H new ATOM 0 HG SER A 34 60.149 -78.700 58.584 1.00 0.00 H new ATOM 530 N GLY A 35 60.311 -75.355 57.033 1.00 0.00 N ATOM 531 CA GLY A 35 60.405 -73.929 57.323 1.00 0.00 C ATOM 532 C GLY A 35 59.104 -73.409 57.925 1.00 0.00 C ATOM 533 O GLY A 35 58.512 -72.456 57.417 1.00 0.00 O ATOM 0 H GLY A 35 60.639 -75.964 57.783 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.228 -73.748 58.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.631 -73.382 56.408 1.00 0.00 H new ATOM 537 N GLU A 36 58.664 -74.042 59.007 1.00 0.00 N ATOM 538 CA GLU A 36 57.425 -73.643 59.664 1.00 0.00 C ATOM 539 C GLU A 36 57.615 -72.333 60.422 1.00 0.00 C ATOM 540 O GLU A 36 58.729 -71.817 60.519 1.00 0.00 O ATOM 541 CB GLU A 36 56.974 -74.736 60.634 1.00 0.00 C ATOM 542 CG GLU A 36 56.704 -76.027 59.859 1.00 0.00 C ATOM 543 CD GLU A 36 55.506 -75.841 58.935 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.771 -74.889 59.133 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.343 -76.654 58.040 1.00 0.00 O ATOM 0 H GLU A 36 59.143 -74.828 59.445 1.00 0.00 H new ATOM 0 HA GLU A 36 56.662 -73.498 58.899 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.742 -74.906 61.389 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.073 -74.420 61.161 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.583 -76.302 59.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.514 -76.845 60.554 1.00 0.00 H new ATOM 552 N CYS A 37 56.522 -71.800 60.957 1.00 0.00 N ATOM 553 CA CYS A 37 56.576 -70.535 61.682 1.00 0.00 C ATOM 554 C CYS A 37 57.022 -70.762 63.123 1.00 0.00 C ATOM 555 O CYS A 37 56.788 -71.828 63.694 1.00 0.00 O ATOM 556 CB CYS A 37 55.218 -69.854 61.773 1.00 0.00 C ATOM 557 SG CYS A 37 54.546 -69.586 60.114 1.00 0.00 S ATOM 0 H CYS A 37 55.594 -72.220 60.903 1.00 0.00 H new ATOM 0 HA CYS A 37 57.275 -69.911 61.125 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.533 -70.468 62.357 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.314 -68.901 62.293 1.00 0.00 H new ATOM 562 N PHE A 38 57.664 -69.755 63.705 1.00 0.00 N ATOM 563 CA PHE A 38 58.095 -69.839 65.095 1.00 0.00 C ATOM 564 C PHE A 38 57.928 -68.493 65.792 1.00 0.00 C ATOM 565 O PHE A 38 58.115 -67.440 65.182 1.00 0.00 O ATOM 566 CB PHE A 38 59.561 -70.273 65.162 1.00 0.00 C ATOM 567 CG PHE A 38 59.669 -71.738 64.816 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.617 -72.147 63.478 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.821 -72.688 65.833 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.717 -73.507 63.158 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.921 -74.047 65.512 1.00 0.00 C ATOM 572 CZ PHE A 38 59.870 -74.457 64.175 1.00 0.00 C ATOM 0 H PHE A 38 57.896 -68.877 63.240 1.00 0.00 H new ATOM 0 HA PHE A 38 57.474 -70.577 65.603 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.159 -69.680 64.470 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.959 -70.094 66.161 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.500 -71.414 62.693 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.861 -72.373 66.865 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.676 -73.823 62.126 1.00 0.00 H new ATOM 0 HE2 PHE A 38 60.038 -74.780 66.297 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.949 -75.505 63.928 1.00 0.00 H new ATOM 582 N TYR A 39 57.574 -68.535 67.072 1.00 0.00 N ATOM 583 CA TYR A 39 57.366 -67.311 67.837 1.00 0.00 C ATOM 584 C TYR A 39 58.660 -66.878 68.518 1.00 0.00 C ATOM 585 O TYR A 39 59.123 -67.521 69.460 1.00 0.00 O ATOM 586 CB TYR A 39 56.281 -67.534 68.893 1.00 0.00 C ATOM 587 CG TYR A 39 54.936 -67.648 68.217 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.660 -68.739 67.384 1.00 0.00 C ATOM 589 CD2 TYR A 39 53.963 -66.662 68.424 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.412 -68.844 66.758 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.715 -66.768 67.798 1.00 0.00 C ATOM 592 CZ TYR A 39 52.440 -67.858 66.965 1.00 0.00 C ATOM 593 OH TYR A 39 51.210 -67.962 66.348 1.00 0.00 O ATOM 0 H TYR A 39 57.426 -69.396 67.598 1.00 0.00 H new ATOM 0 HA TYR A 39 57.050 -66.525 67.151 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.492 -68.440 69.461 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.274 -66.707 69.603 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.410 -69.500 67.224 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.175 -65.820 69.066 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.199 -69.686 66.115 1.00 0.00 H new ATOM 0 HE2 TYR A 39 51.964 -66.008 67.958 1.00 0.00 H new ATOM 0 HH TYR A 39 50.652 -67.196 66.599 1.00 0.00 H new ATOM 603 N ASP A 40 59.240 -65.784 68.034 1.00 0.00 N ATOM 604 CA ASP A 40 60.473 -65.264 68.614 1.00 0.00 C ATOM 605 C ASP A 40 60.164 -64.303 69.758 1.00 0.00 C ATOM 606 O ASP A 40 59.079 -64.343 70.339 1.00 0.00 O ATOM 607 CB ASP A 40 61.289 -64.538 67.543 1.00 0.00 C ATOM 608 CG ASP A 40 61.743 -65.527 66.474 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.608 -66.717 66.701 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.217 -65.077 65.443 1.00 0.00 O ATOM 0 H ASP A 40 58.879 -65.244 67.248 1.00 0.00 H new ATOM 0 HA ASP A 40 61.050 -66.103 69.004 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.689 -63.749 67.089 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.156 -64.058 67.997 1.00 0.00 H new ATOM 615 N GLU A 41 61.124 -63.442 70.077 1.00 0.00 N ATOM 616 CA GLU A 41 60.942 -62.472 71.151 1.00 0.00 C ATOM 617 C GLU A 41 59.972 -61.375 70.723 1.00 0.00 C ATOM 618 O GLU A 41 59.141 -60.925 71.511 1.00 0.00 O ATOM 619 CB GLU A 41 62.287 -61.848 71.526 1.00 0.00 C ATOM 620 CG GLU A 41 63.223 -62.934 72.059 1.00 0.00 C ATOM 621 CD GLU A 41 62.676 -63.498 73.366 1.00 0.00 C ATOM 622 OE1 GLU A 41 61.848 -62.838 73.973 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.093 -64.581 73.741 1.00 0.00 O ATOM 0 H GLU A 41 62.030 -63.395 69.611 1.00 0.00 H new ATOM 0 HA GLU A 41 60.529 -62.990 72.016 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.731 -61.365 70.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.143 -61.075 72.281 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.324 -63.732 71.323 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.219 -62.521 72.220 1.00 0.00 H new ATOM 630 N LYS A 42 60.084 -60.949 69.469 1.00 0.00 N ATOM 631 CA LYS A 42 59.210 -59.905 68.946 1.00 0.00 C ATOM 632 C LYS A 42 57.794 -60.440 68.750 1.00 0.00 C ATOM 633 O LYS A 42 56.918 -59.734 68.249 1.00 0.00 O ATOM 634 CB LYS A 42 59.752 -59.390 67.612 1.00 0.00 C ATOM 635 CG LYS A 42 61.157 -58.823 67.817 1.00 0.00 C ATOM 636 CD LYS A 42 61.590 -58.065 66.560 1.00 0.00 C ATOM 637 CE LYS A 42 61.667 -59.034 65.379 1.00 0.00 C ATOM 638 NZ LYS A 42 62.511 -58.442 64.303 1.00 0.00 N ATOM 0 H LYS A 42 60.766 -61.307 68.800 1.00 0.00 H new ATOM 0 HA LYS A 42 59.181 -59.087 69.666 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.778 -60.198 66.881 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.092 -58.620 67.212 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.169 -58.156 68.679 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.859 -59.630 68.028 1.00 0.00 H new ATOM 0 HD2 LYS A 42 60.881 -57.266 66.342 1.00 0.00 H new ATOM 0 HD3 LYS A 42 62.560 -57.595 66.722 1.00 0.00 H new ATOM 0 HE2 LYS A 42 62.088 -59.986 65.703 1.00 0.00 H new ATOM 0 HE3 LYS A 42 60.667 -59.240 64.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 62.563 -59.101 63.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 62.092 -57.544 63.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.468 -58.267 64.670 1.00 0.00 H new ATOM 652 N ARG A 43 57.578 -61.689 69.149 1.00 0.00 N ATOM 653 CA ARG A 43 56.264 -62.305 69.015 1.00 0.00 C ATOM 654 C ARG A 43 55.807 -62.283 67.561 1.00 0.00 C ATOM 655 O ARG A 43 54.621 -62.439 67.269 1.00 0.00 O ATOM 656 CB ARG A 43 55.247 -61.562 69.883 1.00 0.00 C ATOM 657 CG ARG A 43 55.725 -61.552 71.336 1.00 0.00 C ATOM 658 CD ARG A 43 55.068 -60.391 72.083 1.00 0.00 C ATOM 659 NE ARG A 43 55.409 -59.124 71.445 1.00 0.00 N ATOM 660 CZ ARG A 43 55.236 -57.967 72.078 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.752 -57.953 73.289 1.00 0.00 N ATOM 662 NH2 ARG A 43 55.549 -56.847 71.486 1.00 0.00 N ATOM 0 H ARG A 43 58.290 -62.290 69.564 1.00 0.00 H new ATOM 0 HA ARG A 43 56.335 -63.341 69.346 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.123 -60.541 69.523 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.272 -62.045 69.813 1.00 0.00 H new ATOM 0 HG2 ARG A 43 55.474 -62.497 71.819 1.00 0.00 H new ATOM 0 HG3 ARG A 43 56.810 -61.454 71.372 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.986 -60.522 72.093 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.398 -60.384 73.122 1.00 0.00 H new ATOM 0 HE ARG A 43 55.786 -59.125 70.497 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.506 -58.829 73.750 1.00 0.00 H new ATOM 0 HH12 ARG A 43 54.619 -57.066 73.775 1.00 0.00 H new ATOM 0 HH21 ARG A 43 55.926 -56.859 70.538 1.00 0.00 H new ATOM 0 HH22 ARG A 43 55.417 -55.959 71.971 1.00 0.00 H new ATOM 676 N ASN A 44 56.756 -62.089 66.651 1.00 0.00 N ATOM 677 CA ASN A 44 56.439 -62.047 65.227 1.00 0.00 C ATOM 678 C ASN A 44 56.712 -63.399 64.577 1.00 0.00 C ATOM 679 O ASN A 44 57.857 -63.846 64.510 1.00 0.00 O ATOM 680 CB ASN A 44 57.275 -60.968 64.538 1.00 0.00 C ATOM 681 CG ASN A 44 58.730 -61.416 64.446 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.263 -61.994 65.393 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.408 -61.181 63.357 1.00 0.00 N ATOM 0 H ASN A 44 57.744 -61.959 66.871 1.00 0.00 H new ATOM 0 HA ASN A 44 55.381 -61.812 65.116 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.882 -60.773 63.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.208 -60.033 65.095 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.382 -61.476 63.289 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.964 -60.702 62.573 1.00 0.00 H new ATOM 690 N LEU A 45 55.654 -64.046 64.101 1.00 0.00 N ATOM 691 CA LEU A 45 55.793 -65.345 63.452 1.00 0.00 C ATOM 692 C LEU A 45 56.942 -65.323 62.450 1.00 0.00 C ATOM 693 O LEU A 45 56.924 -64.558 61.487 1.00 0.00 O ATOM 694 CB LEU A 45 54.493 -65.712 62.732 1.00 0.00 C ATOM 695 CG LEU A 45 53.299 -65.237 63.561 1.00 0.00 C ATOM 696 CD1 LEU A 45 52.001 -65.708 62.902 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.394 -65.823 64.972 1.00 0.00 C ATOM 0 H LEU A 45 54.697 -63.696 64.151 1.00 0.00 H new ATOM 0 HA LEU A 45 56.007 -66.091 64.217 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.470 -65.252 61.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.440 -66.790 62.583 1.00 0.00 H new ATOM 0 HG LEU A 45 53.305 -64.148 63.617 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.150 -65.370 63.493 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.933 -65.294 61.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.995 -66.797 62.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.544 -65.485 65.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.387 -66.911 64.915 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.319 -65.490 65.443 1.00 0.00 H new ATOM 709 N GLN A 46 57.942 -66.168 62.685 1.00 0.00 N ATOM 710 CA GLN A 46 59.090 -66.244 61.789 1.00 0.00 C ATOM 711 C GLN A 46 59.247 -67.659 61.241 1.00 0.00 C ATOM 712 O GLN A 46 59.069 -68.640 61.965 1.00 0.00 O ATOM 713 CB GLN A 46 60.363 -65.839 62.536 1.00 0.00 C ATOM 714 CG GLN A 46 60.145 -64.489 63.222 1.00 0.00 C ATOM 715 CD GLN A 46 61.432 -63.672 63.184 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.809 -63.016 64.247 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.112 -63.629 62.158 1.00 0.00 N flip ATOM 0 H GLN A 46 57.980 -66.804 63.481 1.00 0.00 H new ATOM 0 HA GLN A 46 58.925 -65.560 60.957 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.620 -66.597 63.276 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.200 -65.775 61.841 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.343 -63.944 62.724 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.832 -64.643 64.255 1.00 0.00 H new ATOM 0 HE21 GLN A 46 61.816 -64.142 61.328 1.00 0.00 H new ATOM 0 HE22 GLN A 46 62.971 -63.080 62.138 1.00 0.00 H new ATOM 726 N CYS A 47 59.582 -67.758 59.958 1.00 0.00 N ATOM 727 CA CYS A 47 59.784 -69.058 59.330 1.00 0.00 C ATOM 728 C CYS A 47 61.206 -69.555 59.570 1.00 0.00 C ATOM 729 O CYS A 47 62.176 -68.882 59.223 1.00 0.00 O ATOM 730 CB CYS A 47 59.539 -68.972 57.821 1.00 0.00 C ATOM 731 SG CYS A 47 57.774 -68.751 57.488 1.00 0.00 S ATOM 0 H CYS A 47 59.718 -66.960 59.338 1.00 0.00 H new ATOM 0 HA CYS A 47 59.074 -69.755 59.775 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.103 -68.140 57.400 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.898 -69.879 57.334 1.00 0.00 H new ATOM 736 N ILE A 48 61.321 -70.738 60.164 1.00 0.00 N ATOM 737 CA ILE A 48 62.631 -71.315 60.450 1.00 0.00 C ATOM 738 C ILE A 48 62.956 -72.424 59.456 1.00 0.00 C ATOM 739 O ILE A 48 62.614 -73.586 59.673 1.00 0.00 O ATOM 740 CB ILE A 48 62.655 -71.879 61.872 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.501 -70.734 62.875 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.986 -72.593 62.114 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.626 -71.283 64.298 1.00 0.00 C ATOM 0 H ILE A 48 60.530 -71.313 60.455 1.00 0.00 H new ATOM 0 HA ILE A 48 63.381 -70.529 60.359 1.00 0.00 H new ATOM 0 HB ILE A 48 61.835 -72.586 61.998 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.264 -69.976 62.698 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.533 -70.249 62.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.004 -72.995 63.127 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.097 -73.407 61.398 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.806 -71.886 61.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.516 -70.468 65.013 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.847 -72.025 64.471 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.604 -71.747 64.424 1.00 0.00 H new ATOM 755 N CYS A 49 63.619 -72.057 58.364 1.00 0.00 N ATOM 756 CA CYS A 49 64.002 -73.035 57.351 1.00 0.00 C ATOM 757 C CYS A 49 64.937 -74.083 57.945 1.00 0.00 C ATOM 758 O CYS A 49 66.101 -73.800 58.230 1.00 0.00 O ATOM 759 CB CYS A 49 64.736 -72.344 56.194 1.00 0.00 C ATOM 760 SG CYS A 49 63.641 -72.173 54.764 1.00 0.00 S ATOM 0 H CYS A 49 63.900 -71.098 58.158 1.00 0.00 H new ATOM 0 HA CYS A 49 63.091 -73.511 56.989 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.085 -71.362 56.512 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.618 -72.922 55.918 1.00 0.00 H new ATOM 765 N ASP A 50 64.422 -75.294 58.128 1.00 0.00 N ATOM 766 CA ASP A 50 65.222 -76.377 58.688 1.00 0.00 C ATOM 767 C ASP A 50 65.797 -77.248 57.575 1.00 0.00 C ATOM 768 O ASP A 50 65.068 -77.721 56.703 1.00 0.00 O ATOM 769 CB ASP A 50 64.361 -77.236 59.616 1.00 0.00 C ATOM 770 CG ASP A 50 63.251 -77.914 58.820 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.496 -78.261 57.677 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.171 -78.075 59.366 1.00 0.00 O ATOM 0 H ASP A 50 63.461 -75.549 57.899 1.00 0.00 H new ATOM 0 HA ASP A 50 66.044 -75.941 59.255 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.979 -77.988 60.106 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.929 -76.616 60.402 1.00 0.00 H new ATOM 777 N TYR A 51 67.109 -77.453 57.611 1.00 0.00 N ATOM 778 CA TYR A 51 67.770 -78.286 56.613 1.00 0.00 C ATOM 779 C TYR A 51 68.138 -79.643 57.203 1.00 0.00 C ATOM 780 O TYR A 51 69.315 -79.994 57.292 1.00 0.00 O ATOM 781 CB TYR A 51 69.034 -77.589 56.104 1.00 0.00 C ATOM 782 CG TYR A 51 68.650 -76.481 55.152 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.341 -75.208 55.647 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.603 -76.728 53.775 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.986 -74.182 54.764 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.248 -75.701 52.893 1.00 0.00 C ATOM 787 CZ TYR A 51 67.939 -74.429 53.387 1.00 0.00 C ATOM 788 OH TYR A 51 67.588 -73.416 52.516 1.00 0.00 O ATOM 0 H TYR A 51 67.732 -77.057 58.315 1.00 0.00 H new ATOM 0 HA TYR A 51 67.080 -78.439 55.783 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.601 -77.183 56.942 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.681 -78.308 55.601 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.377 -75.018 56.710 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.840 -77.710 53.394 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.748 -73.200 55.145 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.213 -75.890 51.830 1.00 0.00 H new ATOM 0 HH TYR A 51 67.590 -73.759 51.598 1.00 0.00 H new ATOM 798 N CYS A 52 67.125 -80.402 57.607 1.00 0.00 N ATOM 799 CA CYS A 52 67.355 -81.718 58.192 1.00 0.00 C ATOM 800 C CYS A 52 66.041 -82.481 58.328 1.00 0.00 C ATOM 801 O CYS A 52 64.998 -82.031 57.854 1.00 0.00 O ATOM 802 CB CYS A 52 68.006 -81.570 59.568 1.00 0.00 C ATOM 803 SG CYS A 52 69.796 -81.392 59.373 1.00 0.00 S ATOM 0 H CYS A 52 66.144 -80.131 57.541 1.00 0.00 H new ATOM 0 HA CYS A 52 68.020 -82.277 57.534 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.598 -80.701 60.084 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.781 -82.441 60.184 1.00 0.00 H new ATOM 808 N GLU A 53 66.100 -83.639 58.977 1.00 0.00 N ATOM 809 CA GLU A 53 64.908 -84.456 59.174 1.00 0.00 C ATOM 810 C GLU A 53 64.325 -84.230 60.565 1.00 0.00 C ATOM 811 O GLU A 53 64.539 -85.029 61.476 1.00 0.00 O ATOM 812 CB GLU A 53 65.254 -85.936 58.998 1.00 0.00 C ATOM 813 CG GLU A 53 65.779 -86.174 57.580 1.00 0.00 C ATOM 814 CD GLU A 53 64.672 -85.913 56.565 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.519 -85.894 56.965 1.00 0.00 O ATOM 816 OE2 GLU A 53 64.993 -85.736 55.401 1.00 0.00 O ATOM 0 H GLU A 53 66.954 -84.031 59.373 1.00 0.00 H new ATOM 0 HA GLU A 53 64.166 -84.165 58.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.005 -86.234 59.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.372 -86.550 59.178 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.627 -85.519 57.382 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.139 -87.198 57.483 1.00 0.00 H new ATOM 823 N TYR A 54 63.589 -83.135 60.721 1.00 0.00 N ATOM 824 CA TYR A 54 62.974 -82.817 62.005 1.00 0.00 C ATOM 825 C TYR A 54 61.777 -83.725 62.265 1.00 0.00 C ATOM 826 CB TYR A 54 62.523 -81.356 62.019 1.00 0.00 C ATOM 827 CG TYR A 54 61.373 -81.174 61.057 1.00 0.00 C ATOM 828 CD1 TYR A 54 60.056 -81.340 61.501 1.00 0.00 C ATOM 829 CD2 TYR A 54 61.625 -80.838 59.722 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.990 -81.172 60.609 1.00 0.00 C ATOM 831 CE2 TYR A 54 60.559 -80.671 58.830 1.00 0.00 C ATOM 832 CZ TYR A 54 59.241 -80.837 59.273 1.00 0.00 C ATOM 833 OH TYR A 54 58.191 -80.670 58.393 1.00 0.00 O ATOM 0 H TYR A 54 63.405 -82.457 59.981 1.00 0.00 H new ATOM 0 HA TYR A 54 63.712 -82.976 62.791 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.218 -81.068 63.025 1.00 0.00 H new ATOM 0 HB3 TYR A 54 63.352 -80.706 61.739 1.00 0.00 H new ATOM 0 HD1 TYR A 54 59.862 -81.598 62.532 1.00 0.00 H new ATOM 0 HD2 TYR A 54 62.641 -80.708 59.380 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.974 -81.301 60.952 1.00 0.00 H new ATOM 0 HE2 TYR A 54 60.753 -80.414 57.799 1.00 0.00 H new ATOM 0 HH TYR A 54 57.404 -80.348 58.880 1.00 0.00 H new TER 843 TYR A 54