USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 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= -5.66! C(o=-9.6!,f=-18!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -3.95 F(o=-18!,f=-9.6) USER MOD Single : A 3 LYS NZ :NH3+ 149:sc= -0.0617 (180deg=-1.23!) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= -0.0359 (180deg=-1.57) USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= -0.814 (180deg=-1.58) USER MOD Single : A 8 TYR OH : rot 50:sc= -3.89! USER MOD Single : A 10 ASN : amide:sc= -1.39! C(o=-1.4!,f=-5.7!) USER MOD Single : A 11 TYR OH : rot 174:sc= 0.00304 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -3.05! C(o=-3!,f=-5!) USER MOD Single : A 20 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) 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+ -134:sc= -2.41 (180deg=-5.1!) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.081) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.165 F(o=-0.88,f=-0.17) USER MOD Single : A 34 SER OG : rot 131:sc= 0.789 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0718 (180deg=-0.508) USER MOD Single : A 51 TYR OH : rot -176:sc= -0.496 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 68.753 -76.622 66.976 1.00 0.00 N ATOM 2 CA ASP A 2 69.393 -77.481 65.988 1.00 0.00 C ATOM 3 C ASP A 2 70.119 -76.646 64.939 1.00 0.00 C ATOM 4 O ASP A 2 69.627 -75.601 64.513 1.00 0.00 O ATOM 5 CB ASP A 2 68.343 -78.361 65.305 1.00 0.00 C ATOM 6 CG ASP A 2 67.773 -79.363 66.302 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.340 -79.489 67.375 1.00 0.00 O ATOM 8 OD2 ASP A 2 66.776 -79.988 65.979 1.00 0.00 O ATOM 0 HA ASP A 2 70.120 -78.111 66.499 1.00 0.00 H new ATOM 0 HB2 ASP A 2 67.542 -77.740 64.903 1.00 0.00 H new ATOM 0 HB3 ASP A 2 68.791 -78.888 64.463 1.00 0.00 H new ATOM 13 N LYS A 3 71.294 -77.112 64.528 1.00 0.00 N ATOM 14 CA LYS A 3 72.079 -76.400 63.527 1.00 0.00 C ATOM 15 C LYS A 3 71.308 -76.294 62.216 1.00 0.00 C ATOM 16 O LYS A 3 71.413 -75.298 61.500 1.00 0.00 O ATOM 17 CB LYS A 3 73.403 -77.128 63.287 1.00 0.00 C ATOM 18 CG LYS A 3 73.129 -78.482 62.629 1.00 0.00 C ATOM 19 CD LYS A 3 74.424 -79.293 62.570 1.00 0.00 C ATOM 20 CE LYS A 3 74.242 -80.479 61.620 1.00 0.00 C ATOM 21 NZ LYS A 3 73.900 -79.976 60.260 1.00 0.00 N ATOM 0 H LYS A 3 71.721 -77.973 64.870 1.00 0.00 H new ATOM 0 HA LYS A 3 72.280 -75.395 63.898 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.051 -76.526 62.649 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.928 -77.270 64.231 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.372 -79.026 63.194 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.733 -78.336 61.624 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.245 -78.663 62.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.688 -79.649 63.566 1.00 0.00 H new ATOM 0 HE2 LYS A 3 75.156 -81.072 61.581 1.00 0.00 H new ATOM 0 HE3 LYS A 3 73.452 -81.135 61.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.273 -80.631 59.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 72.867 -79.910 60.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 74.321 -79.035 60.122 1.00 0.00 H new ATOM 35 N CYS A 4 70.533 -77.329 61.906 1.00 0.00 N ATOM 36 CA CYS A 4 69.749 -77.343 60.677 1.00 0.00 C ATOM 37 C CYS A 4 68.599 -76.354 60.721 1.00 0.00 C ATOM 38 O CYS A 4 67.536 -76.709 60.211 1.00 0.00 O ATOM 39 CB CYS A 4 69.103 -78.716 60.485 1.00 0.00 C ATOM 40 SG CYS A 4 70.361 -80.005 60.663 1.00 0.00 S ATOM 0 H CYS A 4 70.432 -78.163 62.485 1.00 0.00 H new ATOM 0 HA CYS A 4 70.440 -77.089 59.874 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.310 -78.863 61.219 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.641 -78.778 59.500 1.00 0.00 H new ATOM 45 N LYS A 5 68.756 -75.180 61.323 1.00 0.00 N ATOM 46 CA LYS A 5 67.656 -74.227 61.416 1.00 0.00 C ATOM 47 C LYS A 5 68.112 -72.839 60.977 1.00 0.00 C ATOM 48 O LYS A 5 69.191 -72.381 61.355 1.00 0.00 O ATOM 49 CB LYS A 5 67.136 -74.166 62.854 1.00 0.00 C ATOM 50 CG LYS A 5 66.840 -75.582 63.350 1.00 0.00 C ATOM 51 CD LYS A 5 65.579 -76.110 62.662 1.00 0.00 C ATOM 52 CE LYS A 5 65.102 -77.378 63.374 1.00 0.00 C ATOM 53 NZ LYS A 5 63.821 -77.837 62.768 1.00 0.00 N ATOM 0 H LYS A 5 69.627 -74.867 61.751 1.00 0.00 H new ATOM 0 HA LYS A 5 66.855 -74.560 60.756 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.875 -73.690 63.499 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.233 -73.557 62.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.685 -76.237 63.137 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.703 -75.579 64.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.796 -75.352 62.683 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.787 -76.325 61.614 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.857 -78.160 63.291 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.963 -77.181 64.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.258 -78.338 63.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.287 -77.015 62.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.022 -78.479 61.975 1.00 0.00 H new ATOM 67 N LYS A 6 67.284 -72.174 60.179 1.00 0.00 N ATOM 68 CA LYS A 6 67.591 -70.820 59.732 1.00 0.00 C ATOM 69 C LYS A 6 66.371 -69.917 59.879 1.00 0.00 C ATOM 70 O LYS A 6 65.350 -70.124 59.222 1.00 0.00 O ATOM 71 CB LYS A 6 68.038 -70.842 58.269 1.00 0.00 C ATOM 72 CG LYS A 6 69.508 -71.259 58.189 1.00 0.00 C ATOM 73 CD LYS A 6 69.783 -71.904 56.829 1.00 0.00 C ATOM 74 CE LYS A 6 69.357 -70.947 55.715 1.00 0.00 C ATOM 75 NZ LYS A 6 69.831 -69.570 56.034 1.00 0.00 N ATOM 0 H LYS A 6 66.401 -72.547 59.830 1.00 0.00 H new ATOM 0 HA LYS A 6 68.396 -70.427 60.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.421 -71.537 57.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.904 -69.857 57.822 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.151 -70.390 58.328 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.742 -71.960 58.990 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.843 -72.140 56.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.238 -72.844 56.744 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.772 -71.274 54.762 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.272 -70.954 55.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.047 -69.064 55.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 69.089 -69.059 56.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 70.688 -69.625 56.620 1.00 0.00 H new ATOM 89 N VAL A 7 66.485 -68.912 60.742 1.00 0.00 N ATOM 90 CA VAL A 7 65.363 -68.020 61.010 1.00 0.00 C ATOM 91 C VAL A 7 65.184 -67.027 59.866 1.00 0.00 C ATOM 92 O VAL A 7 66.158 -66.478 59.351 1.00 0.00 O ATOM 93 CB VAL A 7 65.600 -67.260 62.316 1.00 0.00 C ATOM 94 CG1 VAL A 7 66.791 -66.315 62.148 1.00 0.00 C ATOM 95 CG2 VAL A 7 64.351 -66.447 62.666 1.00 0.00 C ATOM 0 H VAL A 7 67.335 -68.696 61.263 1.00 0.00 H new ATOM 0 HA VAL A 7 64.458 -68.621 61.100 1.00 0.00 H new ATOM 0 HB VAL A 7 65.809 -67.970 63.116 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.960 -65.773 63.079 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.681 -66.892 61.897 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.582 -65.605 61.348 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.519 -65.905 63.597 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.143 -65.737 61.865 1.00 0.00 H new ATOM 0 HG23 VAL A 7 63.501 -67.119 62.786 1.00 0.00 H new ATOM 105 N TYR A 8 63.935 -66.802 59.473 1.00 0.00 N ATOM 106 CA TYR A 8 63.638 -65.841 58.417 1.00 0.00 C ATOM 107 C TYR A 8 63.539 -64.430 58.989 1.00 0.00 C ATOM 108 O TYR A 8 62.849 -64.198 59.981 1.00 0.00 O ATOM 109 CB TYR A 8 62.321 -66.210 57.732 1.00 0.00 C ATOM 110 CG TYR A 8 62.609 -67.031 56.498 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.461 -68.139 56.578 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.024 -66.686 55.274 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.728 -68.901 55.434 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.291 -67.447 54.130 1.00 0.00 C ATOM 115 CZ TYR A 8 63.143 -68.555 54.210 1.00 0.00 C ATOM 116 OH TYR A 8 63.406 -69.306 53.083 1.00 0.00 O ATOM 0 H TYR A 8 63.117 -67.268 59.866 1.00 0.00 H new ATOM 0 HA TYR A 8 64.447 -65.869 57.687 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.688 -66.773 58.417 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.774 -65.307 57.462 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.912 -68.406 57.522 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.366 -65.832 55.212 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.385 -69.756 55.496 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.840 -67.180 53.186 1.00 0.00 H new ATOM 0 HH TYR A 8 63.269 -70.256 53.283 1.00 0.00 H new ATOM 126 N GLU A 9 64.234 -63.491 58.355 1.00 0.00 N ATOM 127 CA GLU A 9 64.211 -62.103 58.804 1.00 0.00 C ATOM 128 C GLU A 9 63.419 -61.238 57.829 1.00 0.00 C ATOM 129 O GLU A 9 63.632 -61.295 56.619 1.00 0.00 O ATOM 130 CB GLU A 9 65.640 -61.568 58.919 1.00 0.00 C ATOM 131 CG GLU A 9 66.441 -62.453 59.875 1.00 0.00 C ATOM 132 CD GLU A 9 66.932 -63.698 59.144 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.593 -63.852 57.982 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.642 -64.479 59.756 1.00 0.00 O ATOM 0 H GLU A 9 64.816 -63.663 57.535 1.00 0.00 H new ATOM 0 HA GLU A 9 63.729 -62.064 59.781 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.114 -61.553 57.938 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.627 -60.541 59.283 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.289 -61.897 60.274 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.821 -62.740 60.724 1.00 0.00 H new ATOM 141 N ASN A 10 62.505 -60.435 58.366 1.00 0.00 N ATOM 142 CA ASN A 10 61.703 -59.544 57.537 1.00 0.00 C ATOM 143 C ASN A 10 60.812 -60.347 56.593 1.00 0.00 C ATOM 144 O ASN A 10 61.023 -60.353 55.380 1.00 0.00 O ATOM 145 CB ASN A 10 62.616 -58.625 56.723 1.00 0.00 C ATOM 146 CG ASN A 10 63.743 -58.099 57.604 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.765 -58.357 58.807 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.688 -57.371 57.073 1.00 0.00 N ATOM 0 H ASN A 10 62.303 -60.384 59.364 1.00 0.00 H new ATOM 0 HA ASN A 10 61.071 -58.942 58.190 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.030 -59.169 55.874 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.041 -57.792 56.318 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.446 -57.015 57.656 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.668 -57.158 56.076 1.00 0.00 H new ATOM 155 N TYR A 11 59.818 -61.023 57.158 1.00 0.00 N ATOM 156 CA TYR A 11 58.879 -61.797 56.355 1.00 0.00 C ATOM 157 C TYR A 11 57.451 -61.583 56.844 1.00 0.00 C ATOM 158 O TYR A 11 57.186 -61.601 58.047 1.00 0.00 O ATOM 159 CB TYR A 11 59.229 -63.285 56.430 1.00 0.00 C ATOM 160 CG TYR A 11 60.139 -63.647 55.281 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.493 -63.292 55.320 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.629 -64.337 54.175 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.336 -63.628 54.255 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.472 -64.673 53.109 1.00 0.00 C ATOM 165 CZ TYR A 11 61.825 -64.317 53.149 1.00 0.00 C ATOM 166 OH TYR A 11 62.657 -64.648 52.098 1.00 0.00 O ATOM 0 H TYR A 11 59.642 -61.051 58.162 1.00 0.00 H new ATOM 0 HA TYR A 11 58.951 -61.459 55.321 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.718 -63.507 57.379 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.320 -63.886 56.391 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.887 -62.759 56.173 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.585 -64.610 54.144 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.381 -63.356 54.286 1.00 0.00 H new ATOM 0 HE2 TYR A 11 60.079 -65.207 52.256 1.00 0.00 H new ATOM 0 HH TYR A 11 62.169 -65.207 51.458 1.00 0.00 H new ATOM 176 N PRO A 12 56.537 -61.381 55.936 1.00 0.00 N ATOM 177 CA PRO A 12 55.101 -61.157 56.269 1.00 0.00 C ATOM 178 C PRO A 12 54.588 -62.153 57.306 1.00 0.00 C ATOM 179 O PRO A 12 54.672 -63.365 57.111 1.00 0.00 O ATOM 180 CB PRO A 12 54.388 -61.359 54.930 1.00 0.00 C ATOM 181 CG PRO A 12 55.403 -61.027 53.887 1.00 0.00 C ATOM 182 CD PRO A 12 56.777 -61.344 54.485 1.00 0.00 C ATOM 0 HA PRO A 12 54.932 -60.174 56.709 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.036 -62.385 54.823 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.515 -60.712 54.848 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.232 -61.610 52.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.338 -59.976 53.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.160 -62.297 54.120 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.512 -60.583 54.222 1.00 0.00 H new ATOM 190 N VAL A 13 54.058 -61.631 58.407 1.00 0.00 N ATOM 191 CA VAL A 13 53.525 -62.484 59.464 1.00 0.00 C ATOM 192 C VAL A 13 52.160 -63.037 59.068 1.00 0.00 C ATOM 193 O VAL A 13 51.866 -64.212 59.294 1.00 0.00 O ATOM 194 CB VAL A 13 53.397 -61.687 60.763 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.773 -61.165 61.180 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.449 -60.505 60.543 1.00 0.00 C ATOM 0 H VAL A 13 53.986 -60.630 58.590 1.00 0.00 H new ATOM 0 HA VAL A 13 54.212 -63.317 59.615 1.00 0.00 H new ATOM 0 HB VAL A 13 53.001 -62.332 61.547 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.681 -60.597 62.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.449 -62.006 61.335 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.170 -60.520 60.396 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.357 -59.936 61.468 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.847 -59.861 59.759 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.468 -60.876 60.246 1.00 0.00 H new ATOM 206 N SER A 14 51.330 -62.184 58.477 1.00 0.00 N ATOM 207 CA SER A 14 49.993 -62.596 58.065 1.00 0.00 C ATOM 208 C SER A 14 50.057 -63.880 57.245 1.00 0.00 C ATOM 209 O SER A 14 49.188 -64.744 57.358 1.00 0.00 O ATOM 210 CB SER A 14 49.339 -61.490 57.236 1.00 0.00 C ATOM 211 OG SER A 14 50.047 -61.339 56.013 1.00 0.00 O ATOM 0 H SER A 14 51.557 -61.211 58.274 1.00 0.00 H new ATOM 0 HA SER A 14 49.397 -62.780 58.959 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.296 -61.737 57.038 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.345 -60.552 57.791 1.00 0.00 H new ATOM 0 HG SER A 14 49.629 -60.632 55.478 1.00 0.00 H new ATOM 217 N LYS A 15 51.091 -63.996 56.418 1.00 0.00 N ATOM 218 CA LYS A 15 51.266 -65.186 55.592 1.00 0.00 C ATOM 219 C LYS A 15 51.619 -66.390 56.459 1.00 0.00 C ATOM 220 O LYS A 15 51.278 -67.526 56.129 1.00 0.00 O ATOM 221 CB LYS A 15 52.375 -64.951 54.565 1.00 0.00 C ATOM 222 CG LYS A 15 51.887 -63.963 53.503 1.00 0.00 C ATOM 223 CD LYS A 15 51.069 -64.711 52.449 1.00 0.00 C ATOM 224 CE LYS A 15 50.785 -63.781 51.268 1.00 0.00 C ATOM 225 NZ LYS A 15 49.776 -64.411 50.370 1.00 0.00 N ATOM 0 H LYS A 15 51.815 -63.287 56.302 1.00 0.00 H new ATOM 0 HA LYS A 15 50.329 -65.387 55.073 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.265 -64.561 55.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.658 -65.894 54.097 1.00 0.00 H new ATOM 0 HG2 LYS A 15 51.279 -63.185 53.966 1.00 0.00 H new ATOM 0 HG3 LYS A 15 52.737 -63.467 53.035 1.00 0.00 H new ATOM 0 HD2 LYS A 15 51.613 -65.592 52.109 1.00 0.00 H new ATOM 0 HD3 LYS A 15 50.133 -65.062 52.882 1.00 0.00 H new ATOM 0 HE2 LYS A 15 50.417 -62.820 51.628 1.00 0.00 H new ATOM 0 HE3 LYS A 15 51.705 -63.584 50.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 49.583 -63.779 49.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 50.144 -65.317 50.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 48.896 -64.577 50.899 1.00 0.00 H new ATOM 239 N CYS A 16 52.305 -66.134 57.568 1.00 0.00 N ATOM 240 CA CYS A 16 52.697 -67.205 58.477 1.00 0.00 C ATOM 241 C CYS A 16 51.475 -67.784 59.183 1.00 0.00 C ATOM 242 O CYS A 16 51.573 -68.783 59.896 1.00 0.00 O ATOM 243 CB CYS A 16 53.685 -66.673 59.516 1.00 0.00 C ATOM 244 SG CYS A 16 55.154 -67.730 59.549 1.00 0.00 S ATOM 0 H CYS A 16 52.599 -65.201 57.858 1.00 0.00 H new ATOM 0 HA CYS A 16 53.173 -67.994 57.894 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.967 -65.648 59.274 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.217 -66.651 60.500 1.00 0.00 H new ATOM 249 N GLN A 17 50.325 -67.150 58.980 1.00 0.00 N ATOM 250 CA GLN A 17 49.089 -67.615 59.597 1.00 0.00 C ATOM 251 C GLN A 17 48.707 -68.990 59.060 1.00 0.00 C ATOM 252 O GLN A 17 47.767 -69.618 59.548 1.00 0.00 O ATOM 253 CB GLN A 17 47.959 -66.622 59.315 1.00 0.00 C ATOM 254 CG GLN A 17 47.509 -66.760 57.859 1.00 0.00 C ATOM 255 CD GLN A 17 46.699 -65.537 57.447 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.933 -64.437 57.948 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.753 -65.662 56.556 1.00 0.00 N ATOM 0 H GLN A 17 50.223 -66.319 58.397 1.00 0.00 H new ATOM 0 HA GLN A 17 49.247 -67.689 60.673 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.120 -66.810 59.985 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.299 -65.604 59.507 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.378 -66.867 57.210 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.908 -67.662 57.739 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.560 -66.574 56.142 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.207 -64.848 56.274 1.00 0.00 H new ATOM 266 N LEU A 18 49.442 -69.452 58.055 1.00 0.00 N ATOM 267 CA LEU A 18 49.186 -70.765 57.473 1.00 0.00 C ATOM 268 C LEU A 18 50.480 -71.567 57.371 1.00 0.00 C ATOM 269 O LEU A 18 51.292 -71.340 56.476 1.00 0.00 O ATOM 270 CB LEU A 18 48.569 -70.608 56.082 1.00 0.00 C ATOM 271 CG LEU A 18 47.062 -70.383 56.215 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.558 -69.575 55.018 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.348 -71.737 56.252 1.00 0.00 C ATOM 0 H LEU A 18 50.215 -68.941 57.628 1.00 0.00 H new ATOM 0 HA LEU A 18 48.491 -71.300 58.120 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.028 -69.768 55.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.763 -71.498 55.484 1.00 0.00 H new ATOM 0 HG LEU A 18 46.856 -69.836 57.135 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.484 -69.415 55.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.067 -68.612 54.989 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.763 -70.122 54.098 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.274 -71.579 56.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.555 -72.283 55.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.707 -72.314 57.104 1.00 0.00 H new ATOM 285 N ALA A 19 50.663 -72.505 58.295 1.00 0.00 N ATOM 286 CA ALA A 19 51.862 -73.335 58.300 1.00 0.00 C ATOM 287 C ALA A 19 52.163 -73.850 56.896 1.00 0.00 C ATOM 288 O ALA A 19 53.226 -74.422 56.650 1.00 0.00 O ATOM 289 CB ALA A 19 51.674 -74.518 59.252 1.00 0.00 C ATOM 0 H ALA A 19 50.002 -72.708 59.045 1.00 0.00 H new ATOM 0 HA ALA A 19 52.701 -72.727 58.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.574 -75.133 59.250 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.490 -74.148 60.260 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.824 -75.117 58.925 1.00 0.00 H new ATOM 295 N ASN A 20 51.223 -73.646 55.981 1.00 0.00 N ATOM 296 CA ASN A 20 51.403 -74.089 54.603 1.00 0.00 C ATOM 297 C ASN A 20 52.186 -73.052 53.803 1.00 0.00 C ATOM 298 O ASN A 20 53.051 -73.399 52.998 1.00 0.00 O ATOM 299 CB ASN A 20 50.041 -74.321 53.946 1.00 0.00 C ATOM 300 CG ASN A 20 49.373 -75.551 54.550 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.048 -76.408 55.121 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.080 -75.691 54.456 1.00 0.00 N ATOM 0 H ASN A 20 50.335 -73.180 56.166 1.00 0.00 H new ATOM 0 HA ASN A 20 51.965 -75.023 54.613 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.406 -73.446 54.087 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.165 -74.455 52.871 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.625 -76.512 54.856 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.523 -74.980 53.983 1.00 0.00 H new ATOM 309 N GLN A 21 51.877 -71.780 54.031 1.00 0.00 N ATOM 310 CA GLN A 21 52.563 -70.701 53.329 1.00 0.00 C ATOM 311 C GLN A 21 53.983 -70.531 53.862 1.00 0.00 C ATOM 312 O GLN A 21 54.932 -70.397 53.091 1.00 0.00 O ATOM 313 CB GLN A 21 51.792 -69.391 53.506 1.00 0.00 C ATOM 314 CG GLN A 21 50.496 -69.447 52.693 1.00 0.00 C ATOM 315 CD GLN A 21 50.820 -69.500 51.204 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.440 -68.582 50.669 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.433 -70.528 50.497 1.00 0.00 N ATOM 0 H GLN A 21 51.162 -71.472 54.691 1.00 0.00 H new ATOM 0 HA GLN A 21 52.612 -70.956 52.270 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.566 -69.229 54.560 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.403 -68.550 53.179 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.915 -70.323 52.979 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.882 -68.573 52.910 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.919 -71.288 50.942 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.645 -70.570 49.500 1.00 0.00 H new ATOM 326 N CYS A 22 54.118 -70.538 55.184 1.00 0.00 N ATOM 327 CA CYS A 22 55.423 -70.360 55.810 1.00 0.00 C ATOM 328 C CYS A 22 56.419 -71.386 55.280 1.00 0.00 C ATOM 329 O CYS A 22 57.456 -71.029 54.721 1.00 0.00 O ATOM 330 CB CYS A 22 55.297 -70.505 57.327 1.00 0.00 C ATOM 331 SG CYS A 22 56.946 -70.491 58.074 1.00 0.00 S ATOM 0 H CYS A 22 53.346 -70.664 55.839 1.00 0.00 H new ATOM 0 HA CYS A 22 55.787 -69.361 55.568 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.696 -69.691 57.732 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.783 -71.434 57.573 1.00 0.00 H new ATOM 336 N ASN A 23 56.098 -72.663 55.459 1.00 0.00 N ATOM 337 CA ASN A 23 56.986 -73.734 55.021 1.00 0.00 C ATOM 338 C ASN A 23 57.239 -73.642 53.520 1.00 0.00 C ATOM 339 O ASN A 23 58.376 -73.768 53.063 1.00 0.00 O ATOM 340 CB ASN A 23 56.368 -75.094 55.354 1.00 0.00 C ATOM 341 CG ASN A 23 54.939 -75.160 54.825 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.294 -74.127 54.646 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.404 -76.321 54.565 1.00 0.00 N ATOM 0 H ASN A 23 55.235 -72.980 55.901 1.00 0.00 H new ATOM 0 HA ASN A 23 57.936 -73.629 55.544 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.965 -75.892 54.913 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.373 -75.251 56.433 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.448 -76.375 54.212 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.941 -77.175 54.714 1.00 0.00 H new ATOM 350 N TYR A 24 56.174 -73.424 52.756 1.00 0.00 N ATOM 351 CA TYR A 24 56.295 -73.303 51.307 1.00 0.00 C ATOM 352 C TYR A 24 57.228 -72.154 50.939 1.00 0.00 C ATOM 353 O TYR A 24 58.218 -72.348 50.234 1.00 0.00 O ATOM 354 CB TYR A 24 54.917 -73.064 50.687 1.00 0.00 C ATOM 355 CG TYR A 24 54.297 -74.388 50.309 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.092 -75.369 51.287 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.925 -74.634 48.983 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.517 -76.596 50.938 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.349 -75.861 48.633 1.00 0.00 C ATOM 360 CZ TYR A 24 53.145 -76.842 49.611 1.00 0.00 C ATOM 361 OH TYR A 24 52.578 -78.051 49.266 1.00 0.00 O ATOM 0 H TYR A 24 55.223 -73.328 53.112 1.00 0.00 H new ATOM 0 HA TYR A 24 56.713 -74.231 50.918 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.275 -72.539 51.394 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.008 -72.429 49.806 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.378 -75.179 52.311 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.082 -73.877 48.229 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.360 -77.353 51.692 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.062 -76.051 47.609 1.00 0.00 H new ATOM 0 HH TYR A 24 52.378 -78.057 48.307 1.00 0.00 H new ATOM 371 N ASP A 25 56.904 -70.958 51.419 1.00 0.00 N ATOM 372 CA ASP A 25 57.715 -69.782 51.127 1.00 0.00 C ATOM 373 C ASP A 25 59.173 -70.024 51.507 1.00 0.00 C ATOM 374 O ASP A 25 60.087 -69.648 50.773 1.00 0.00 O ATOM 375 CB ASP A 25 57.180 -68.573 51.896 1.00 0.00 C ATOM 376 CG ASP A 25 55.807 -68.182 51.361 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.428 -68.699 50.323 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.155 -67.369 51.996 1.00 0.00 O ATOM 0 H ASP A 25 56.091 -70.778 52.008 1.00 0.00 H new ATOM 0 HA ASP A 25 57.659 -69.586 50.056 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.112 -68.808 52.958 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.870 -67.735 51.798 1.00 0.00 H new ATOM 383 N CYS A 26 59.384 -70.651 52.660 1.00 0.00 N ATOM 384 CA CYS A 26 60.735 -70.936 53.128 1.00 0.00 C ATOM 385 C CYS A 26 61.524 -71.695 52.065 1.00 0.00 C ATOM 386 O CYS A 26 62.650 -71.327 51.733 1.00 0.00 O ATOM 387 CB CYS A 26 60.678 -71.763 54.413 1.00 0.00 C ATOM 388 SG CYS A 26 62.015 -71.248 55.520 1.00 0.00 S ATOM 0 H CYS A 26 58.642 -70.969 53.283 1.00 0.00 H new ATOM 0 HA CYS A 26 61.237 -69.989 53.327 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.714 -71.628 54.903 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.772 -72.824 54.180 1.00 0.00 H new ATOM 393 N LYS A 27 60.925 -72.759 51.539 1.00 0.00 N ATOM 394 CA LYS A 27 61.584 -73.567 50.519 1.00 0.00 C ATOM 395 C LYS A 27 61.780 -72.761 49.238 1.00 0.00 C ATOM 396 O LYS A 27 62.884 -72.696 48.698 1.00 0.00 O ATOM 397 CB LYS A 27 60.747 -74.811 50.217 1.00 0.00 C ATOM 398 CG LYS A 27 60.500 -75.585 51.513 1.00 0.00 C ATOM 399 CD LYS A 27 59.372 -76.597 51.296 1.00 0.00 C ATOM 400 CE LYS A 27 59.817 -77.647 50.278 1.00 0.00 C ATOM 401 NZ LYS A 27 59.662 -77.101 48.900 1.00 0.00 N ATOM 0 H LYS A 27 59.992 -73.080 51.799 1.00 0.00 H new ATOM 0 HA LYS A 27 62.561 -73.868 50.898 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.797 -74.523 49.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.264 -75.444 49.495 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.410 -76.099 51.821 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.236 -74.896 52.316 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.113 -77.077 52.240 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.476 -76.088 50.941 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.856 -77.924 50.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.222 -78.553 50.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.204 -77.812 48.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.076 -76.242 48.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 60.598 -76.868 48.512 1.00 0.00 H new ATOM 415 N LEU A 28 60.703 -72.150 48.757 1.00 0.00 N ATOM 416 CA LEU A 28 60.763 -71.378 47.521 1.00 0.00 C ATOM 417 C LEU A 28 61.851 -70.313 47.604 1.00 0.00 C ATOM 418 O LEU A 28 62.427 -69.919 46.589 1.00 0.00 O ATOM 419 CB LEU A 28 59.411 -70.710 47.256 1.00 0.00 C ATOM 420 CG LEU A 28 58.331 -71.783 47.117 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.949 -71.130 47.194 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.485 -72.487 45.767 1.00 0.00 C ATOM 0 H LEU A 28 59.784 -72.173 49.200 1.00 0.00 H new ATOM 0 HA LEU A 28 60.999 -72.058 46.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.162 -70.032 48.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.462 -70.110 46.347 1.00 0.00 H new ATOM 0 HG LEU A 28 58.435 -72.510 47.923 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.179 -71.895 47.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.838 -70.626 48.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.844 -70.404 46.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.716 -73.253 45.666 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.380 -71.759 44.963 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.469 -72.952 45.709 1.00 0.00 H new ATOM 434 N ASP A 29 62.128 -69.849 48.818 1.00 0.00 N ATOM 435 CA ASP A 29 63.119 -68.797 49.015 1.00 0.00 C ATOM 436 C ASP A 29 64.488 -69.399 49.312 1.00 0.00 C ATOM 437 O ASP A 29 65.477 -69.068 48.657 1.00 0.00 O ATOM 438 CB ASP A 29 62.695 -67.892 50.173 1.00 0.00 C ATOM 439 CG ASP A 29 61.383 -67.193 49.836 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.136 -66.976 48.661 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.645 -66.885 50.756 1.00 0.00 O ATOM 0 H ASP A 29 61.684 -70.181 49.674 1.00 0.00 H new ATOM 0 HA ASP A 29 63.185 -68.209 48.099 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.579 -68.482 51.082 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.471 -67.152 50.370 1.00 0.00 H new ATOM 446 N LYS A 30 64.540 -70.285 50.301 1.00 0.00 N ATOM 447 CA LYS A 30 65.807 -70.865 50.729 1.00 0.00 C ATOM 448 C LYS A 30 65.902 -72.325 50.299 1.00 0.00 C ATOM 449 O LYS A 30 66.985 -72.909 50.287 1.00 0.00 O ATOM 450 CB LYS A 30 65.937 -70.771 52.251 1.00 0.00 C ATOM 451 CG LYS A 30 65.961 -69.299 52.670 1.00 0.00 C ATOM 452 CD LYS A 30 67.394 -68.769 52.595 1.00 0.00 C ATOM 453 CE LYS A 30 67.440 -67.339 53.137 1.00 0.00 C ATOM 454 NZ LYS A 30 66.790 -66.418 52.161 1.00 0.00 N ATOM 0 H LYS A 30 63.725 -70.615 50.818 1.00 0.00 H new ATOM 0 HA LYS A 30 66.617 -70.306 50.259 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.103 -71.283 52.730 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.849 -71.269 52.580 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.311 -68.714 52.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.575 -69.192 53.684 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.060 -69.410 53.173 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.747 -68.790 51.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 66.930 -67.286 54.099 1.00 0.00 H new ATOM 0 HE3 LYS A 30 68.473 -67.036 53.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 66.968 -65.433 52.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 67.183 -66.584 51.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 65.765 -66.594 52.147 1.00 0.00 H new ATOM 468 N HIS A 31 64.761 -72.908 49.944 1.00 0.00 N ATOM 469 CA HIS A 31 64.731 -74.297 49.499 1.00 0.00 C ATOM 470 C HIS A 31 65.108 -75.235 50.640 1.00 0.00 C ATOM 471 O HIS A 31 65.997 -76.075 50.497 1.00 0.00 O ATOM 472 CB HIS A 31 65.701 -74.493 48.333 1.00 0.00 C ATOM 473 CG HIS A 31 65.382 -73.506 47.244 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.639 -72.163 47.119 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.708 -73.872 46.090 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 65.132 -71.701 45.907 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.582 -72.770 45.326 1.00 0.00 N flip ATOM 0 H HIS A 31 63.852 -72.445 49.955 1.00 0.00 H new ATOM 0 HA HIS A 31 63.718 -74.531 49.172 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.728 -74.356 48.673 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.625 -75.511 47.950 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.349 -74.861 45.847 1.00 0.00 H new ATOM 0 HE1 HIS A 31 65.175 -70.694 45.520 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.123 -72.754 44.415 1.00 0.00 H new ATOM 485 N ALA A 32 64.428 -75.087 51.771 1.00 0.00 N ATOM 486 CA ALA A 32 64.674 -75.953 52.919 1.00 0.00 C ATOM 487 C ALA A 32 63.760 -77.172 52.874 1.00 0.00 C ATOM 488 O ALA A 32 63.176 -77.486 51.836 1.00 0.00 O ATOM 489 CB ALA A 32 64.437 -75.181 54.218 1.00 0.00 C ATOM 0 H ALA A 32 63.707 -74.381 51.918 1.00 0.00 H new ATOM 0 HA ALA A 32 65.711 -76.288 52.882 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.623 -75.836 55.069 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.113 -74.327 54.262 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.406 -74.829 54.249 1.00 0.00 H new ATOM 495 N ARG A 33 63.639 -77.857 54.007 1.00 0.00 N ATOM 496 CA ARG A 33 62.771 -79.026 54.092 1.00 0.00 C ATOM 497 C ARG A 33 61.330 -78.605 54.364 1.00 0.00 C ATOM 498 O ARG A 33 60.413 -78.991 53.639 1.00 0.00 O ATOM 499 CB ARG A 33 63.252 -79.954 55.208 1.00 0.00 C ATOM 500 CG ARG A 33 64.756 -80.194 55.060 1.00 0.00 C ATOM 501 CD ARG A 33 64.995 -81.369 54.111 1.00 0.00 C ATOM 502 NE ARG A 33 66.380 -81.373 53.651 1.00 0.00 N ATOM 503 CZ ARG A 33 66.752 -82.092 52.598 1.00 0.00 C ATOM 504 NH1 ARG A 33 65.873 -82.811 51.955 1.00 0.00 N ATOM 505 NH2 ARG A 33 67.997 -82.078 52.206 1.00 0.00 N ATOM 0 H ARG A 33 64.127 -77.625 54.872 1.00 0.00 H new ATOM 0 HA ARG A 33 62.810 -79.554 53.139 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.038 -79.512 56.181 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.716 -80.902 55.164 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.242 -79.297 54.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.199 -80.403 56.034 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.770 -82.307 54.619 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.321 -81.299 53.257 1.00 0.00 H new ATOM 0 HE ARG A 33 67.074 -80.814 54.147 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.900 -82.821 52.261 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.159 -83.363 51.146 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.684 -81.515 52.708 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.283 -82.630 51.397 1.00 0.00 H new ATOM 519 N SER A 34 61.137 -77.813 55.413 1.00 0.00 N ATOM 520 CA SER A 34 59.806 -77.326 55.756 1.00 0.00 C ATOM 521 C SER A 34 59.815 -75.810 55.925 1.00 0.00 C ATOM 522 O SER A 34 59.398 -75.074 55.031 1.00 0.00 O ATOM 523 CB SER A 34 59.328 -77.982 57.051 1.00 0.00 C ATOM 524 OG SER A 34 58.985 -79.337 56.793 1.00 0.00 O ATOM 0 H SER A 34 61.879 -77.496 56.037 1.00 0.00 H new ATOM 0 HA SER A 34 59.126 -77.585 54.945 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.110 -77.931 57.808 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.466 -77.446 57.447 1.00 0.00 H new ATOM 0 HG SER A 34 59.412 -79.915 57.459 1.00 0.00 H new ATOM 530 N GLY A 35 60.290 -75.350 57.078 1.00 0.00 N ATOM 531 CA GLY A 35 60.374 -73.918 57.342 1.00 0.00 C ATOM 532 C GLY A 35 59.065 -73.396 57.924 1.00 0.00 C ATOM 533 O GLY A 35 58.455 -72.477 57.377 1.00 0.00 O ATOM 0 H GLY A 35 60.620 -75.943 57.839 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.191 -73.719 58.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.604 -73.386 56.419 1.00 0.00 H new ATOM 537 N GLU A 36 58.640 -73.987 59.035 1.00 0.00 N ATOM 538 CA GLU A 36 57.395 -73.581 59.677 1.00 0.00 C ATOM 539 C GLU A 36 57.583 -72.266 60.429 1.00 0.00 C ATOM 540 O GLU A 36 58.699 -71.763 60.549 1.00 0.00 O ATOM 541 CB GLU A 36 56.932 -74.666 60.650 1.00 0.00 C ATOM 542 CG GLU A 36 56.695 -75.970 59.886 1.00 0.00 C ATOM 543 CD GLU A 36 55.519 -75.807 58.928 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.771 -74.857 59.095 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.383 -76.634 58.041 1.00 0.00 O ATOM 0 H GLU A 36 59.135 -74.744 59.507 1.00 0.00 H new ATOM 0 HA GLU A 36 56.639 -73.439 58.905 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.683 -74.818 61.426 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.015 -74.354 61.150 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.592 -76.244 59.331 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.494 -76.780 60.587 1.00 0.00 H new ATOM 552 N CYS A 37 56.483 -71.718 60.935 1.00 0.00 N ATOM 553 CA CYS A 37 56.534 -70.449 61.653 1.00 0.00 C ATOM 554 C CYS A 37 57.011 -70.663 63.085 1.00 0.00 C ATOM 555 O CYS A 37 56.813 -71.732 63.662 1.00 0.00 O ATOM 556 CB CYS A 37 55.164 -69.784 61.769 1.00 0.00 C ATOM 557 SG CYS A 37 54.452 -69.535 60.124 1.00 0.00 S ATOM 0 H CYS A 37 55.552 -72.129 60.862 1.00 0.00 H new ATOM 0 HA CYS A 37 57.213 -69.818 61.079 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.500 -70.404 62.371 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.258 -68.827 62.282 1.00 0.00 H new ATOM 562 N PHE A 38 57.642 -69.641 63.654 1.00 0.00 N ATOM 563 CA PHE A 38 58.106 -69.715 65.034 1.00 0.00 C ATOM 564 C PHE A 38 58.038 -68.343 65.697 1.00 0.00 C ATOM 565 O PHE A 38 58.298 -67.321 65.061 1.00 0.00 O ATOM 566 CB PHE A 38 59.545 -70.233 65.074 1.00 0.00 C ATOM 567 CG PHE A 38 59.559 -71.704 64.733 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.646 -72.112 63.397 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.486 -72.660 65.754 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.660 -73.476 63.081 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.499 -74.023 65.438 1.00 0.00 C ATOM 572 CZ PHE A 38 59.586 -74.431 64.101 1.00 0.00 C ATOM 0 H PHE A 38 57.843 -68.758 63.185 1.00 0.00 H new ATOM 0 HA PHE A 38 57.458 -70.401 65.579 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.162 -69.679 64.367 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.973 -70.074 66.064 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.702 -71.375 62.610 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.420 -72.345 66.785 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.728 -73.791 62.050 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.442 -74.760 66.225 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.596 -75.483 63.857 1.00 0.00 H new ATOM 582 N TYR A 39 57.688 -68.328 66.979 1.00 0.00 N ATOM 583 CA TYR A 39 57.578 -67.074 67.716 1.00 0.00 C ATOM 584 C TYR A 39 58.912 -66.714 68.363 1.00 0.00 C ATOM 585 O TYR A 39 59.353 -67.372 69.304 1.00 0.00 O ATOM 586 CB TYR A 39 56.501 -67.196 68.796 1.00 0.00 C ATOM 587 CG TYR A 39 55.150 -67.363 68.143 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.844 -68.545 67.458 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.201 -66.336 68.224 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.590 -68.699 66.853 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.949 -66.490 67.620 1.00 0.00 C ATOM 592 CZ TYR A 39 52.642 -67.672 66.934 1.00 0.00 C ATOM 593 OH TYR A 39 51.407 -67.825 66.339 1.00 0.00 O ATOM 0 H TYR A 39 57.477 -69.163 67.526 1.00 0.00 H new ATOM 0 HA TYR A 39 57.302 -66.285 67.016 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.713 -68.049 69.441 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.504 -66.309 69.429 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.575 -69.338 67.396 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.436 -65.424 68.753 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.354 -69.610 66.324 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.218 -65.697 67.683 1.00 0.00 H new ATOM 0 HH TYR A 39 50.869 -67.020 66.491 1.00 0.00 H new ATOM 603 N ASP A 40 59.548 -65.667 67.849 1.00 0.00 N ATOM 604 CA ASP A 40 60.827 -65.220 68.393 1.00 0.00 C ATOM 605 C ASP A 40 60.611 -64.339 69.618 1.00 0.00 C ATOM 606 O ASP A 40 59.608 -64.470 70.320 1.00 0.00 O ATOM 607 CB ASP A 40 61.602 -64.440 67.330 1.00 0.00 C ATOM 608 CG ASP A 40 60.912 -63.107 67.055 1.00 0.00 C ATOM 609 OD1 ASP A 40 59.834 -62.901 67.587 1.00 0.00 O ATOM 610 OD2 ASP A 40 61.472 -62.314 66.318 1.00 0.00 O ATOM 0 H ASP A 40 59.203 -65.115 67.063 1.00 0.00 H new ATOM 0 HA ASP A 40 61.401 -66.098 68.689 1.00 0.00 H new ATOM 0 HB2 ASP A 40 62.624 -64.267 67.667 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.663 -65.024 66.411 1.00 0.00 H new ATOM 615 N GLU A 41 61.558 -63.441 69.869 1.00 0.00 N ATOM 616 CA GLU A 41 61.460 -62.541 71.013 1.00 0.00 C ATOM 617 C GLU A 41 60.412 -61.462 70.756 1.00 0.00 C ATOM 618 O GLU A 41 59.642 -61.107 71.649 1.00 0.00 O ATOM 619 CB GLU A 41 62.815 -61.884 71.279 1.00 0.00 C ATOM 620 CG GLU A 41 63.832 -62.955 71.681 1.00 0.00 C ATOM 621 CD GLU A 41 64.263 -63.750 70.453 1.00 0.00 C ATOM 622 OE1 GLU A 41 64.021 -63.282 69.353 1.00 0.00 O ATOM 623 OE2 GLU A 41 64.829 -64.816 70.630 1.00 0.00 O ATOM 0 H GLU A 41 62.396 -63.317 69.301 1.00 0.00 H new ATOM 0 HA GLU A 41 61.162 -63.123 71.885 1.00 0.00 H new ATOM 0 HB2 GLU A 41 63.158 -61.359 70.388 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.721 -61.141 72.071 1.00 0.00 H new ATOM 0 HG2 GLU A 41 64.700 -62.488 72.146 1.00 0.00 H new ATOM 0 HG3 GLU A 41 63.395 -63.624 72.423 1.00 0.00 H new ATOM 630 N LYS A 42 60.389 -60.945 69.533 1.00 0.00 N ATOM 631 CA LYS A 42 59.428 -59.910 69.169 1.00 0.00 C ATOM 632 C LYS A 42 58.019 -60.487 69.100 1.00 0.00 C ATOM 633 O LYS A 42 57.068 -59.788 68.750 1.00 0.00 O ATOM 634 CB LYS A 42 59.801 -59.304 67.815 1.00 0.00 C ATOM 635 CG LYS A 42 61.197 -58.685 67.898 1.00 0.00 C ATOM 636 CD LYS A 42 61.532 -57.999 66.574 1.00 0.00 C ATOM 637 CE LYS A 42 62.985 -57.522 66.598 1.00 0.00 C ATOM 638 NZ LYS A 42 63.896 -58.700 66.597 1.00 0.00 N ATOM 0 H LYS A 42 61.020 -61.223 68.781 1.00 0.00 H new ATOM 0 HA LYS A 42 59.452 -59.133 69.933 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.778 -60.073 67.042 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.072 -58.545 67.531 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.238 -57.963 68.714 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.936 -59.456 68.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.379 -58.690 65.745 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.864 -57.154 66.411 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.186 -56.893 65.731 1.00 0.00 H new ATOM 0 HE3 LYS A 42 63.164 -56.912 67.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.827 -58.418 66.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 64.001 -59.058 67.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.497 -59.447 65.994 1.00 0.00 H new ATOM 652 N ARG A 43 57.891 -61.767 69.435 1.00 0.00 N ATOM 653 CA ARG A 43 56.591 -62.427 69.411 1.00 0.00 C ATOM 654 C ARG A 43 55.978 -62.354 68.017 1.00 0.00 C ATOM 655 O ARG A 43 54.765 -62.208 67.868 1.00 0.00 O ATOM 656 CB ARG A 43 55.650 -61.763 70.420 1.00 0.00 C ATOM 657 CG ARG A 43 56.409 -61.483 71.718 1.00 0.00 C ATOM 658 CD ARG A 43 57.034 -62.780 72.234 1.00 0.00 C ATOM 659 NE ARG A 43 56.128 -63.901 72.013 1.00 0.00 N ATOM 660 CZ ARG A 43 55.159 -64.182 72.878 1.00 0.00 C ATOM 661 NH1 ARG A 43 55.007 -63.450 73.948 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.360 -65.191 72.659 1.00 0.00 N ATOM 0 H ARG A 43 58.666 -62.364 69.724 1.00 0.00 H new ATOM 0 HA ARG A 43 56.731 -63.474 69.679 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.256 -60.834 70.009 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.796 -62.411 70.618 1.00 0.00 H new ATOM 0 HG2 ARG A 43 57.185 -60.737 71.544 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.732 -61.071 72.466 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.981 -62.963 71.726 1.00 0.00 H new ATOM 0 HD3 ARG A 43 57.256 -62.687 73.297 1.00 0.00 H new ATOM 0 HE ARG A 43 56.240 -64.479 71.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 55.632 -62.662 74.120 1.00 0.00 H new ATOM 0 HH12 ARG A 43 54.263 -63.666 74.612 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.479 -65.764 71.824 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.616 -65.406 73.323 1.00 0.00 H new ATOM 676 N ASN A 44 56.825 -62.457 66.998 1.00 0.00 N ATOM 677 CA ASN A 44 56.354 -62.410 65.619 1.00 0.00 C ATOM 678 C ASN A 44 56.542 -63.762 64.941 1.00 0.00 C ATOM 679 O ASN A 44 57.496 -64.484 65.228 1.00 0.00 O ATOM 680 CB ASN A 44 57.120 -61.338 64.842 1.00 0.00 C ATOM 681 CG ASN A 44 58.497 -61.862 64.449 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.152 -62.543 65.239 1.00 0.00 O ATOM 683 ND2 ASN A 44 58.977 -61.585 63.267 1.00 0.00 N ATOM 0 H ASN A 44 57.833 -62.573 67.100 1.00 0.00 H new ATOM 0 HA ASN A 44 55.292 -62.165 65.627 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.561 -61.055 63.950 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.224 -60.440 65.451 1.00 0.00 H new ATOM 0 HD21 ASN A 44 59.897 -61.933 62.996 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.432 -61.021 62.615 1.00 0.00 H new ATOM 690 N LEU A 45 55.624 -64.101 64.041 1.00 0.00 N ATOM 691 CA LEU A 45 55.702 -65.369 63.324 1.00 0.00 C ATOM 692 C LEU A 45 56.864 -65.355 62.336 1.00 0.00 C ATOM 693 O LEU A 45 56.837 -64.630 61.341 1.00 0.00 O ATOM 694 CB LEU A 45 54.394 -65.626 62.573 1.00 0.00 C ATOM 695 CG LEU A 45 53.215 -65.140 63.418 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.906 -65.427 62.682 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.215 -65.874 64.760 1.00 0.00 C ATOM 0 H LEU A 45 54.823 -63.520 63.792 1.00 0.00 H new ATOM 0 HA LEU A 45 55.866 -66.166 64.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.405 -65.108 61.614 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.288 -66.690 62.360 1.00 0.00 H new ATOM 0 HG LEU A 45 53.308 -64.067 63.588 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.066 -65.081 63.284 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.905 -64.906 61.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.812 -66.499 62.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.375 -65.529 65.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.122 -66.946 64.588 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.148 -65.671 65.286 1.00 0.00 H new ATOM 709 N GLN A 46 57.882 -66.160 62.617 1.00 0.00 N ATOM 710 CA GLN A 46 59.050 -66.232 61.746 1.00 0.00 C ATOM 711 C GLN A 46 59.226 -67.645 61.201 1.00 0.00 C ATOM 712 O GLN A 46 59.066 -68.626 61.927 1.00 0.00 O ATOM 713 CB GLN A 46 60.304 -65.820 62.519 1.00 0.00 C ATOM 714 CG GLN A 46 60.128 -64.401 63.061 1.00 0.00 C ATOM 715 CD GLN A 46 61.406 -63.945 63.757 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.623 -62.671 63.934 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.228 -64.772 64.150 1.00 0.00 N flip ATOM 0 H GLN A 46 57.923 -66.768 63.435 1.00 0.00 H new ATOM 0 HA GLN A 46 58.899 -65.549 60.910 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.482 -66.514 63.340 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.177 -65.866 61.868 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.885 -63.719 62.246 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.293 -64.371 63.761 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.056 -65.768 64.011 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.081 -64.462 64.615 1.00 0.00 H new ATOM 726 N CYS A 47 59.558 -67.742 59.917 1.00 0.00 N ATOM 727 CA CYS A 47 59.769 -69.040 59.288 1.00 0.00 C ATOM 728 C CYS A 47 61.194 -69.529 59.531 1.00 0.00 C ATOM 729 O CYS A 47 62.160 -68.867 59.151 1.00 0.00 O ATOM 730 CB CYS A 47 59.528 -68.944 57.780 1.00 0.00 C ATOM 731 SG CYS A 47 57.760 -68.754 57.444 1.00 0.00 S ATOM 0 H CYS A 47 59.686 -66.943 59.296 1.00 0.00 H new ATOM 0 HA CYS A 47 59.065 -69.746 59.728 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.077 -68.097 57.369 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.906 -69.839 57.286 1.00 0.00 H new ATOM 736 N ILE A 48 61.316 -70.690 60.166 1.00 0.00 N ATOM 737 CA ILE A 48 62.628 -71.258 60.454 1.00 0.00 C ATOM 738 C ILE A 48 62.950 -72.386 59.478 1.00 0.00 C ATOM 739 O ILE A 48 62.596 -73.542 59.713 1.00 0.00 O ATOM 740 CB ILE A 48 62.664 -71.794 61.886 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.585 -70.625 62.869 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.967 -72.561 62.112 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.632 -71.159 64.302 1.00 0.00 C ATOM 0 H ILE A 48 60.529 -71.252 60.489 1.00 0.00 H new ATOM 0 HA ILE A 48 63.375 -70.472 60.343 1.00 0.00 H new ATOM 0 HB ILE A 48 61.817 -72.462 62.045 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.413 -69.936 62.699 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.665 -70.063 62.709 1.00 0.00 H new ATOM 0 HG21 ILE A 48 63.992 -72.943 63.133 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.025 -73.394 61.411 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.814 -71.894 61.953 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.576 -70.326 65.003 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.789 -71.830 64.468 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.564 -71.702 64.458 1.00 0.00 H new ATOM 755 N CYS A 49 63.622 -72.043 58.384 1.00 0.00 N ATOM 756 CA CYS A 49 63.995 -73.038 57.386 1.00 0.00 C ATOM 757 C CYS A 49 64.911 -74.093 57.997 1.00 0.00 C ATOM 758 O CYS A 49 66.055 -73.807 58.349 1.00 0.00 O ATOM 759 CB CYS A 49 64.736 -72.360 56.231 1.00 0.00 C ATOM 760 SG CYS A 49 63.649 -72.188 54.795 1.00 0.00 S ATOM 0 H CYS A 49 63.917 -71.091 58.167 1.00 0.00 H new ATOM 0 HA CYS A 49 63.084 -73.514 57.023 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.091 -71.379 56.545 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.615 -72.946 55.961 1.00 0.00 H new ATOM 765 N ASP A 50 64.400 -75.314 58.120 1.00 0.00 N ATOM 766 CA ASP A 50 65.185 -76.407 58.682 1.00 0.00 C ATOM 767 C ASP A 50 65.773 -77.270 57.570 1.00 0.00 C ATOM 768 O ASP A 50 65.049 -77.764 56.706 1.00 0.00 O ATOM 769 CB ASP A 50 64.306 -77.270 59.589 1.00 0.00 C ATOM 770 CG ASP A 50 63.204 -77.931 58.771 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.464 -78.276 57.631 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.114 -78.084 59.297 1.00 0.00 O ATOM 0 H ASP A 50 63.453 -75.570 57.840 1.00 0.00 H new ATOM 0 HA ASP A 50 66.000 -75.981 59.266 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.913 -78.031 60.080 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.868 -76.656 60.376 1.00 0.00 H new ATOM 777 N TYR A 51 67.091 -77.445 57.598 1.00 0.00 N ATOM 778 CA TYR A 51 67.764 -78.266 56.598 1.00 0.00 C ATOM 779 C TYR A 51 68.141 -79.623 57.184 1.00 0.00 C ATOM 780 O TYR A 51 69.320 -79.963 57.278 1.00 0.00 O ATOM 781 CB TYR A 51 69.023 -77.554 56.101 1.00 0.00 C ATOM 782 CG TYR A 51 68.635 -76.459 55.138 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.306 -75.186 55.621 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.603 -76.714 53.761 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.946 -74.170 54.728 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.243 -75.698 52.869 1.00 0.00 C ATOM 787 CZ TYR A 51 67.914 -74.425 53.352 1.00 0.00 C ATOM 788 OH TYR A 51 67.559 -73.424 52.471 1.00 0.00 O ATOM 0 H TYR A 51 67.710 -77.033 58.296 1.00 0.00 H new ATOM 0 HA TYR A 51 67.081 -78.422 55.763 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.573 -77.134 56.943 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.687 -78.266 55.610 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.330 -74.988 56.682 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.856 -77.695 53.388 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.693 -73.189 55.101 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.219 -75.895 51.807 1.00 0.00 H new ATOM 0 HH TYR A 51 67.527 -73.786 51.561 1.00 0.00 H new ATOM 798 N CYS A 52 67.132 -80.395 57.576 1.00 0.00 N ATOM 799 CA CYS A 52 67.371 -81.713 58.153 1.00 0.00 C ATOM 800 C CYS A 52 66.061 -82.480 58.298 1.00 0.00 C ATOM 801 O CYS A 52 65.014 -82.034 57.831 1.00 0.00 O ATOM 802 CB CYS A 52 68.036 -81.570 59.523 1.00 0.00 C ATOM 803 SG CYS A 52 69.827 -81.409 59.312 1.00 0.00 S ATOM 0 H CYS A 52 66.149 -80.133 57.505 1.00 0.00 H new ATOM 0 HA CYS A 52 68.031 -82.267 57.485 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.640 -80.697 60.042 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.809 -82.438 60.142 1.00 0.00 H new ATOM 808 N GLU A 53 66.129 -83.638 58.948 1.00 0.00 N ATOM 809 CA GLU A 53 64.941 -84.460 59.149 1.00 0.00 C ATOM 810 C GLU A 53 64.327 -84.189 60.519 1.00 0.00 C ATOM 811 O GLU A 53 64.526 -84.955 61.462 1.00 0.00 O ATOM 812 CB GLU A 53 65.306 -85.942 59.036 1.00 0.00 C ATOM 813 CG GLU A 53 65.807 -86.238 57.621 1.00 0.00 C ATOM 814 CD GLU A 53 67.217 -85.684 57.441 1.00 0.00 C ATOM 815 OE1 GLU A 53 67.857 -85.411 58.443 1.00 0.00 O ATOM 816 OE2 GLU A 53 67.635 -85.541 56.304 1.00 0.00 O ATOM 0 H GLU A 53 66.987 -84.026 59.341 1.00 0.00 H new ATOM 0 HA GLU A 53 64.212 -84.205 58.380 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.075 -86.195 59.766 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.437 -86.560 59.262 1.00 0.00 H new ATOM 0 HG2 GLU A 53 65.804 -87.313 57.443 1.00 0.00 H new ATOM 0 HG3 GLU A 53 65.135 -85.792 56.888 1.00 0.00 H new ATOM 823 N TYR A 54 63.581 -83.095 60.621 1.00 0.00 N ATOM 824 CA TYR A 54 62.936 -82.735 61.879 1.00 0.00 C ATOM 825 C TYR A 54 62.025 -83.862 62.354 1.00 0.00 C ATOM 826 CB TYR A 54 62.118 -81.456 61.699 1.00 0.00 C ATOM 827 CG TYR A 54 60.937 -81.733 60.801 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.721 -82.153 61.354 1.00 0.00 C ATOM 829 CD2 TYR A 54 61.057 -81.571 59.416 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.625 -82.411 60.521 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.963 -81.829 58.583 1.00 0.00 C ATOM 832 CZ TYR A 54 58.747 -82.250 59.135 1.00 0.00 C ATOM 833 OH TYR A 54 57.667 -82.504 58.314 1.00 0.00 O ATOM 0 H TYR A 54 63.408 -82.446 59.854 1.00 0.00 H new ATOM 0 HA TYR A 54 63.710 -82.568 62.628 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.774 -81.093 62.667 1.00 0.00 H new ATOM 0 HB3 TYR A 54 62.740 -80.672 61.267 1.00 0.00 H new ATOM 0 HD1 TYR A 54 59.628 -82.278 62.423 1.00 0.00 H new ATOM 0 HD2 TYR A 54 61.995 -81.247 58.990 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.687 -82.734 60.947 1.00 0.00 H new ATOM 0 HE2 TYR A 54 60.056 -81.703 57.514 1.00 0.00 H new ATOM 0 HH TYR A 54 57.920 -82.343 57.381 1.00 0.00 H new TER 843 TYR A 54