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 34 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -6.42! F(o=-9.7,f=-8.2!) USER MOD Set 2.2: A 46 GLN : amide:sc= -1.76! C(o=-8.2!,f=-9.7!) USER MOD Single : A 3 LYS NZ :NH3+ 143:sc= 1.25 (180deg=-0.198!) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.0223 (180deg=-0.264) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 49:sc= -3.4! USER MOD Single : A 10 ASN : amide:sc= -1.62! C(o=-1.6!,f=-5.9!) USER MOD Single : A 11 TYR OH : rot 170:sc= 0.145 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4.6!) USER MOD Single : A 20 ASN : amide:sc= -0.0452 K(o=-0.045,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.25) 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+ 146:sc= -1.85! (180deg=-3.83!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -1.6! (180deg=-2.49!) USER MOD Single : A 51 TYR OH : rot 175:sc= -0.381 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 68.127 -76.290 66.297 1.00 0.00 N ATOM 2 CA ASP A 2 69.327 -77.071 66.024 1.00 0.00 C ATOM 3 C ASP A 2 70.162 -76.407 64.933 1.00 0.00 C ATOM 4 O ASP A 2 69.817 -75.333 64.442 1.00 0.00 O ATOM 5 CB ASP A 2 68.941 -78.485 65.584 1.00 0.00 C ATOM 6 CG ASP A 2 68.282 -79.230 66.740 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.353 -78.735 67.853 1.00 0.00 O ATOM 8 OD2 ASP A 2 67.717 -80.282 66.495 1.00 0.00 O ATOM 0 HA ASP A 2 69.919 -77.124 66.938 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.258 -78.437 64.735 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.827 -79.025 65.250 1.00 0.00 H new ATOM 13 N LYS A 3 71.261 -77.054 64.560 1.00 0.00 N ATOM 14 CA LYS A 3 72.138 -76.517 63.526 1.00 0.00 C ATOM 15 C LYS A 3 71.392 -76.397 62.201 1.00 0.00 C ATOM 16 O LYS A 3 71.647 -75.485 61.414 1.00 0.00 O ATOM 17 CB LYS A 3 73.355 -77.427 63.348 1.00 0.00 C ATOM 18 CG LYS A 3 72.904 -78.782 62.802 1.00 0.00 C ATOM 19 CD LYS A 3 74.089 -79.750 62.794 1.00 0.00 C ATOM 20 CE LYS A 3 73.731 -80.990 61.972 1.00 0.00 C ATOM 21 NZ LYS A 3 73.367 -80.578 60.586 1.00 0.00 N ATOM 0 H LYS A 3 71.564 -77.944 64.955 1.00 0.00 H new ATOM 0 HA LYS A 3 72.469 -75.526 63.835 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.069 -76.967 62.665 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.866 -77.559 64.302 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.098 -79.183 63.416 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.509 -78.666 61.793 1.00 0.00 H new ATOM 0 HD2 LYS A 3 74.968 -79.262 62.372 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.344 -80.038 63.814 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.574 -81.680 61.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 72.899 -81.520 62.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 73.720 -81.285 59.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 72.333 -80.507 60.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 73.795 -79.654 60.375 1.00 0.00 H new ATOM 35 N CYS A 4 70.470 -77.324 61.960 1.00 0.00 N ATOM 36 CA CYS A 4 69.691 -77.311 60.728 1.00 0.00 C ATOM 37 C CYS A 4 68.540 -76.323 60.786 1.00 0.00 C ATOM 38 O CYS A 4 67.464 -76.688 60.313 1.00 0.00 O ATOM 39 CB CYS A 4 69.047 -78.679 60.503 1.00 0.00 C ATOM 40 SG CYS A 4 70.302 -79.972 60.667 1.00 0.00 S ATOM 0 H CYS A 4 70.245 -78.088 62.597 1.00 0.00 H new ATOM 0 HA CYS A 4 70.387 -77.038 59.934 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.248 -78.840 61.226 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.594 -78.721 59.513 1.00 0.00 H new ATOM 45 N LYS A 5 68.713 -75.137 61.362 1.00 0.00 N ATOM 46 CA LYS A 5 67.616 -74.183 61.466 1.00 0.00 C ATOM 47 C LYS A 5 68.053 -72.807 60.972 1.00 0.00 C ATOM 48 O LYS A 5 69.100 -72.298 61.372 1.00 0.00 O ATOM 49 CB LYS A 5 67.148 -74.081 62.919 1.00 0.00 C ATOM 50 CG LYS A 5 66.833 -75.479 63.454 1.00 0.00 C ATOM 51 CD LYS A 5 65.551 -75.998 62.799 1.00 0.00 C ATOM 52 CE LYS A 5 65.021 -77.195 63.592 1.00 0.00 C ATOM 53 NZ LYS A 5 64.402 -76.716 64.860 1.00 0.00 N ATOM 0 H LYS A 5 69.595 -74.816 61.761 1.00 0.00 H new ATOM 0 HA LYS A 5 66.793 -74.535 60.844 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.920 -73.612 63.529 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.263 -73.448 62.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.661 -76.156 63.244 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.714 -75.447 64.537 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.801 -75.208 62.768 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.749 -76.290 61.768 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.286 -77.741 63.000 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.833 -77.888 63.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.746 -77.438 65.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.146 -76.541 65.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 63.881 -75.834 64.680 1.00 0.00 H new ATOM 67 N LYS A 6 67.246 -72.213 60.100 1.00 0.00 N ATOM 68 CA LYS A 6 67.541 -70.879 59.588 1.00 0.00 C ATOM 69 C LYS A 6 66.352 -69.947 59.802 1.00 0.00 C ATOM 70 O LYS A 6 65.301 -70.114 59.183 1.00 0.00 O ATOM 71 CB LYS A 6 67.868 -70.954 58.094 1.00 0.00 C ATOM 72 CG LYS A 6 68.999 -71.960 57.869 1.00 0.00 C ATOM 73 CD LYS A 6 70.348 -71.256 58.032 1.00 0.00 C ATOM 74 CE LYS A 6 70.721 -70.559 56.722 1.00 0.00 C ATOM 75 NZ LYS A 6 71.555 -69.359 57.018 1.00 0.00 N ATOM 0 H LYS A 6 66.389 -72.629 59.735 1.00 0.00 H new ATOM 0 HA LYS A 6 68.400 -70.485 60.130 1.00 0.00 H new ATOM 0 HB2 LYS A 6 66.983 -71.253 57.532 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.162 -69.971 57.725 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.917 -72.781 58.581 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.921 -72.394 56.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.295 -70.528 58.841 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.117 -71.979 58.304 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.268 -71.245 56.076 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.820 -70.265 56.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 71.809 -68.885 56.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.017 -68.702 57.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.421 -69.652 57.514 1.00 0.00 H new ATOM 89 N VAL A 7 66.527 -68.966 60.681 1.00 0.00 N ATOM 90 CA VAL A 7 65.444 -68.045 61.006 1.00 0.00 C ATOM 91 C VAL A 7 65.257 -67.025 59.887 1.00 0.00 C ATOM 92 O VAL A 7 66.224 -66.443 59.396 1.00 0.00 O ATOM 93 CB VAL A 7 65.751 -67.318 62.316 1.00 0.00 C ATOM 94 CG1 VAL A 7 66.954 -66.394 62.118 1.00 0.00 C ATOM 95 CG2 VAL A 7 64.536 -66.487 62.734 1.00 0.00 C ATOM 0 H VAL A 7 67.400 -68.789 61.177 1.00 0.00 H new ATOM 0 HA VAL A 7 64.524 -68.619 61.118 1.00 0.00 H new ATOM 0 HB VAL A 7 65.978 -68.049 63.092 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.173 -65.876 63.052 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.820 -66.984 61.819 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.727 -65.663 61.342 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.754 -65.968 63.668 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.310 -65.756 61.957 1.00 0.00 H new ATOM 0 HG23 VAL A 7 63.677 -67.143 62.875 1.00 0.00 H new ATOM 105 N TYR A 8 64.007 -66.813 59.489 1.00 0.00 N ATOM 106 CA TYR A 8 63.701 -65.830 58.456 1.00 0.00 C ATOM 107 C TYR A 8 63.611 -64.430 59.056 1.00 0.00 C ATOM 108 O TYR A 8 63.008 -64.234 60.110 1.00 0.00 O ATOM 109 CB TYR A 8 62.377 -66.182 57.776 1.00 0.00 C ATOM 110 CG TYR A 8 62.650 -66.994 56.532 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.488 -68.113 56.597 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.065 -66.627 55.314 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.741 -68.866 55.443 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.319 -67.379 54.161 1.00 0.00 C ATOM 115 CZ TYR A 8 63.156 -68.499 54.226 1.00 0.00 C ATOM 116 OH TYR A 8 63.405 -69.241 53.089 1.00 0.00 O ATOM 0 H TYR A 8 63.195 -67.304 59.863 1.00 0.00 H new ATOM 0 HA TYR A 8 64.503 -65.845 57.719 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.743 -66.747 58.460 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.835 -65.272 57.518 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.939 -68.396 57.536 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.418 -65.764 55.264 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.388 -69.730 55.493 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.869 -67.095 53.221 1.00 0.00 H new ATOM 0 HH TYR A 8 63.263 -70.191 53.281 1.00 0.00 H new ATOM 126 N GLU A 9 64.216 -63.461 58.376 1.00 0.00 N ATOM 127 CA GLU A 9 64.185 -62.080 58.844 1.00 0.00 C ATOM 128 C GLU A 9 63.404 -61.201 57.872 1.00 0.00 C ATOM 129 O GLU A 9 63.621 -61.253 56.662 1.00 0.00 O ATOM 130 CB GLU A 9 65.612 -61.544 58.985 1.00 0.00 C ATOM 131 CG GLU A 9 66.410 -62.455 59.921 1.00 0.00 C ATOM 132 CD GLU A 9 66.927 -63.666 59.152 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.576 -63.801 57.992 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.668 -64.441 59.736 1.00 0.00 O ATOM 0 H GLU A 9 64.729 -63.605 57.506 1.00 0.00 H new ATOM 0 HA GLU A 9 63.690 -62.057 59.815 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.093 -61.498 58.008 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.593 -60.528 59.379 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.245 -61.904 60.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.781 -62.781 60.749 1.00 0.00 H new ATOM 141 N ASN A 10 62.496 -60.394 58.411 1.00 0.00 N ATOM 142 CA ASN A 10 61.700 -59.495 57.583 1.00 0.00 C ATOM 143 C ASN A 10 60.778 -60.289 56.663 1.00 0.00 C ATOM 144 O ASN A 10 60.925 -60.254 55.441 1.00 0.00 O ATOM 145 CB ASN A 10 62.620 -58.605 56.745 1.00 0.00 C ATOM 146 CG ASN A 10 63.798 -58.133 57.590 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.855 -58.409 58.788 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.748 -57.433 57.032 1.00 0.00 N ATOM 0 H ASN A 10 62.294 -60.344 59.410 1.00 0.00 H new ATOM 0 HA ASN A 10 61.091 -58.872 58.238 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.982 -59.156 55.877 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.065 -57.746 56.368 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.540 -57.113 57.589 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.698 -57.206 56.039 1.00 0.00 H new ATOM 155 N TYR A 11 59.828 -61.004 57.257 1.00 0.00 N ATOM 156 CA TYR A 11 58.865 -61.774 56.479 1.00 0.00 C ATOM 157 C TYR A 11 57.453 -61.563 57.016 1.00 0.00 C ATOM 158 O TYR A 11 57.224 -61.605 58.225 1.00 0.00 O ATOM 159 CB TYR A 11 59.219 -63.261 56.536 1.00 0.00 C ATOM 160 CG TYR A 11 60.096 -63.615 55.359 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.437 -63.212 55.339 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.570 -64.346 54.288 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.250 -63.539 54.247 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.383 -64.674 53.196 1.00 0.00 C ATOM 165 CZ TYR A 11 61.724 -64.270 53.176 1.00 0.00 C ATOM 166 OH TYR A 11 62.525 -64.592 52.100 1.00 0.00 O ATOM 0 H TYR A 11 59.705 -61.066 58.268 1.00 0.00 H new ATOM 0 HA TYR A 11 58.903 -61.432 55.445 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.735 -63.487 57.469 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.310 -63.863 56.520 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.844 -62.649 56.166 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.536 -64.658 54.304 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.284 -63.227 54.231 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.976 -65.238 52.370 1.00 0.00 H new ATOM 0 HH TYR A 11 62.059 -65.236 51.526 1.00 0.00 H new ATOM 176 N PRO A 12 56.513 -61.338 56.139 1.00 0.00 N ATOM 177 CA PRO A 12 55.091 -61.113 56.520 1.00 0.00 C ATOM 178 C PRO A 12 54.602 -62.130 57.548 1.00 0.00 C ATOM 179 O PRO A 12 54.668 -63.338 57.321 1.00 0.00 O ATOM 180 CB PRO A 12 54.336 -61.281 55.198 1.00 0.00 C ATOM 181 CG PRO A 12 55.322 -60.932 54.133 1.00 0.00 C ATOM 182 CD PRO A 12 56.710 -61.273 54.683 1.00 0.00 C ATOM 0 HA PRO A 12 54.942 -60.140 56.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.974 -62.302 55.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.465 -60.627 55.157 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.120 -61.493 53.221 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.257 -59.874 53.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.074 -62.221 54.287 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.443 -60.513 54.414 1.00 0.00 H new ATOM 190 N VAL A 13 54.111 -61.632 58.678 1.00 0.00 N ATOM 191 CA VAL A 13 53.602 -62.505 59.730 1.00 0.00 C ATOM 192 C VAL A 13 52.217 -63.031 59.366 1.00 0.00 C ATOM 193 O VAL A 13 51.923 -64.212 59.549 1.00 0.00 O ATOM 194 CB VAL A 13 53.529 -61.740 61.052 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.920 -61.223 61.422 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.569 -60.558 60.904 1.00 0.00 C ATOM 0 H VAL A 13 54.055 -60.636 58.888 1.00 0.00 H new ATOM 0 HA VAL A 13 54.282 -63.350 59.837 1.00 0.00 H new ATOM 0 HB VAL A 13 53.169 -62.406 61.837 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.867 -60.678 62.364 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.605 -62.065 61.528 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.281 -60.558 60.638 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.516 -60.012 61.846 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.929 -59.893 60.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.577 -60.926 60.642 1.00 0.00 H new ATOM 206 N SER A 14 51.370 -62.145 58.850 1.00 0.00 N ATOM 207 CA SER A 14 50.014 -62.528 58.478 1.00 0.00 C ATOM 208 C SER A 14 50.032 -63.772 57.596 1.00 0.00 C ATOM 209 O SER A 14 49.157 -64.632 57.701 1.00 0.00 O ATOM 210 CB SER A 14 49.334 -61.380 57.730 1.00 0.00 C ATOM 211 OG SER A 14 49.962 -61.207 56.466 1.00 0.00 O ATOM 0 H SER A 14 51.597 -61.165 58.681 1.00 0.00 H new ATOM 0 HA SER A 14 49.456 -62.749 59.388 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.274 -61.595 57.596 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.402 -60.461 58.312 1.00 0.00 H new ATOM 0 HG SER A 14 49.528 -60.473 55.983 1.00 0.00 H new ATOM 217 N LYS A 15 51.034 -63.861 56.728 1.00 0.00 N ATOM 218 CA LYS A 15 51.162 -65.010 55.840 1.00 0.00 C ATOM 219 C LYS A 15 51.542 -66.258 56.631 1.00 0.00 C ATOM 220 O LYS A 15 51.154 -67.371 56.278 1.00 0.00 O ATOM 221 CB LYS A 15 52.228 -64.734 54.778 1.00 0.00 C ATOM 222 CG LYS A 15 51.765 -63.589 53.876 1.00 0.00 C ATOM 223 CD LYS A 15 52.705 -63.473 52.674 1.00 0.00 C ATOM 224 CE LYS A 15 52.334 -62.239 51.850 1.00 0.00 C ATOM 225 NZ LYS A 15 53.055 -62.276 50.547 1.00 0.00 N ATOM 0 H LYS A 15 51.764 -63.157 56.621 1.00 0.00 H new ATOM 0 HA LYS A 15 50.201 -65.179 55.354 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.173 -64.476 55.255 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.405 -65.630 54.184 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.745 -63.769 53.537 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.755 -62.653 54.435 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.738 -63.399 53.013 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.635 -64.369 52.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.257 -62.212 51.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 52.594 -61.332 52.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 52.803 -61.437 49.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 54.081 -62.283 50.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 52.785 -63.134 50.025 1.00 0.00 H new ATOM 239 N CYS A 16 52.303 -66.063 57.703 1.00 0.00 N ATOM 240 CA CYS A 16 52.728 -67.179 58.540 1.00 0.00 C ATOM 241 C CYS A 16 51.528 -67.815 59.235 1.00 0.00 C ATOM 242 O CYS A 16 51.652 -68.858 59.878 1.00 0.00 O ATOM 243 CB CYS A 16 53.730 -66.695 59.588 1.00 0.00 C ATOM 244 SG CYS A 16 55.194 -67.759 59.561 1.00 0.00 S ATOM 0 H CYS A 16 52.636 -65.149 58.011 1.00 0.00 H new ATOM 0 HA CYS A 16 53.202 -67.926 57.903 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.014 -65.662 59.385 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.274 -66.712 60.578 1.00 0.00 H new ATOM 249 N GLN A 17 50.368 -67.180 59.101 1.00 0.00 N ATOM 250 CA GLN A 17 49.151 -67.697 59.715 1.00 0.00 C ATOM 251 C GLN A 17 48.771 -69.041 59.102 1.00 0.00 C ATOM 252 O GLN A 17 47.836 -69.700 59.558 1.00 0.00 O ATOM 253 CB GLN A 17 48.006 -66.702 59.521 1.00 0.00 C ATOM 254 CG GLN A 17 47.541 -66.735 58.064 1.00 0.00 C ATOM 255 CD GLN A 17 46.703 -65.499 57.755 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.618 -64.584 58.575 1.00 0.00 O ATOM 257 NE2 GLN A 17 46.073 -65.416 56.615 1.00 0.00 N ATOM 0 H GLN A 17 50.245 -66.313 58.577 1.00 0.00 H new ATOM 0 HA GLN A 17 49.334 -67.836 60.780 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.177 -66.951 60.184 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.335 -65.697 59.786 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.404 -66.775 57.399 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.956 -67.636 57.881 1.00 0.00 H new ATOM 0 HE21 GLN A 17 46.144 -66.174 55.937 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.510 -64.593 56.402 1.00 0.00 H new ATOM 266 N LEU A 18 49.501 -69.440 58.067 1.00 0.00 N ATOM 267 CA LEU A 18 49.244 -70.717 57.410 1.00 0.00 C ATOM 268 C LEU A 18 50.522 -71.546 57.335 1.00 0.00 C ATOM 269 O LEU A 18 51.350 -71.349 56.445 1.00 0.00 O ATOM 270 CB LEU A 18 48.704 -70.479 55.999 1.00 0.00 C ATOM 271 CG LEU A 18 47.196 -70.237 56.065 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.764 -69.370 54.880 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.462 -71.578 56.007 1.00 0.00 C ATOM 0 H LEU A 18 50.270 -68.903 57.667 1.00 0.00 H new ATOM 0 HA LEU A 18 48.503 -71.263 57.994 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.202 -69.621 55.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.918 -71.340 55.366 1.00 0.00 H new ATOM 0 HG LEU A 18 46.952 -69.727 56.997 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.689 -69.198 54.928 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.286 -68.414 54.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 47.009 -69.880 53.948 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.387 -71.406 56.054 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.708 -72.087 55.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.768 -72.197 56.850 1.00 0.00 H new ATOM 285 N ALA A 19 50.676 -72.474 58.273 1.00 0.00 N ATOM 286 CA ALA A 19 51.858 -73.328 58.305 1.00 0.00 C ATOM 287 C ALA A 19 52.176 -73.856 56.909 1.00 0.00 C ATOM 288 O ALA A 19 53.248 -74.414 56.677 1.00 0.00 O ATOM 289 CB ALA A 19 51.629 -74.502 59.257 1.00 0.00 C ATOM 0 H ALA A 19 50.002 -72.654 59.017 1.00 0.00 H new ATOM 0 HA ALA A 19 52.702 -72.735 58.657 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.517 -75.135 59.275 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.433 -74.124 60.260 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.774 -75.086 58.916 1.00 0.00 H new ATOM 295 N ASN A 20 51.238 -73.675 55.985 1.00 0.00 N ATOM 296 CA ASN A 20 51.433 -74.133 54.614 1.00 0.00 C ATOM 297 C ASN A 20 52.199 -73.092 53.805 1.00 0.00 C ATOM 298 O ASN A 20 53.059 -73.432 52.992 1.00 0.00 O ATOM 299 CB ASN A 20 50.078 -74.400 53.955 1.00 0.00 C ATOM 300 CG ASN A 20 49.457 -75.667 54.532 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.142 -76.451 55.188 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.193 -75.915 54.324 1.00 0.00 N ATOM 0 H ASN A 20 50.342 -73.218 56.158 1.00 0.00 H new ATOM 0 HA ASN A 20 52.013 -75.056 54.638 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.412 -73.552 54.118 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.203 -74.505 52.877 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.770 -76.761 54.706 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.628 -75.263 53.780 1.00 0.00 H new ATOM 309 N GLN A 21 51.881 -71.821 54.032 1.00 0.00 N ATOM 310 CA GLN A 21 52.553 -70.738 53.323 1.00 0.00 C ATOM 311 C GLN A 21 53.971 -70.548 53.851 1.00 0.00 C ATOM 312 O GLN A 21 54.919 -70.411 53.078 1.00 0.00 O ATOM 313 CB GLN A 21 51.765 -69.437 53.492 1.00 0.00 C ATOM 314 CG GLN A 21 50.511 -69.480 52.617 1.00 0.00 C ATOM 315 CD GLN A 21 50.898 -69.382 51.145 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.494 -68.389 50.725 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.596 -70.357 50.334 1.00 0.00 N ATOM 0 H GLN A 21 51.168 -71.518 54.696 1.00 0.00 H new ATOM 0 HA GLN A 21 52.604 -70.998 52.266 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.487 -69.301 54.537 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.386 -68.585 53.214 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.964 -70.405 52.797 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.845 -68.659 52.882 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.103 -71.178 50.685 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.853 -70.299 49.349 1.00 0.00 H new ATOM 326 N CYS A 22 54.108 -70.539 55.173 1.00 0.00 N ATOM 327 CA CYS A 22 55.412 -70.344 55.796 1.00 0.00 C ATOM 328 C CYS A 22 56.416 -71.369 55.275 1.00 0.00 C ATOM 329 O CYS A 22 57.451 -71.008 54.714 1.00 0.00 O ATOM 330 CB CYS A 22 55.289 -70.474 57.314 1.00 0.00 C ATOM 331 SG CYS A 22 56.940 -70.477 58.056 1.00 0.00 S ATOM 0 H CYS A 22 53.338 -70.664 55.830 1.00 0.00 H new ATOM 0 HA CYS A 22 55.768 -69.345 55.544 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.701 -69.648 57.714 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.762 -71.394 57.569 1.00 0.00 H new ATOM 336 N ASN A 23 56.103 -72.646 55.467 1.00 0.00 N ATOM 337 CA ASN A 23 57.000 -73.714 55.039 1.00 0.00 C ATOM 338 C ASN A 23 57.252 -73.634 53.536 1.00 0.00 C ATOM 339 O ASN A 23 58.389 -73.764 53.081 1.00 0.00 O ATOM 340 CB ASN A 23 56.391 -75.075 55.384 1.00 0.00 C ATOM 341 CG ASN A 23 54.965 -75.157 54.852 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.312 -74.131 54.663 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.438 -76.325 54.601 1.00 0.00 N ATOM 0 H ASN A 23 55.243 -72.965 55.912 1.00 0.00 H new ATOM 0 HA ASN A 23 57.950 -73.597 55.561 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.995 -75.873 54.953 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.394 -75.221 56.464 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.483 -76.388 54.248 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.981 -77.174 54.758 1.00 0.00 H new ATOM 350 N TYR A 24 56.187 -73.423 52.772 1.00 0.00 N ATOM 351 CA TYR A 24 56.308 -73.312 51.322 1.00 0.00 C ATOM 352 C TYR A 24 57.235 -72.162 50.945 1.00 0.00 C ATOM 353 O TYR A 24 58.228 -72.356 50.244 1.00 0.00 O ATOM 354 CB TYR A 24 54.929 -73.084 50.699 1.00 0.00 C ATOM 355 CG TYR A 24 54.315 -74.414 50.334 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.124 -75.391 51.318 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.935 -74.669 49.011 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.554 -76.624 50.980 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.365 -75.903 48.671 1.00 0.00 C ATOM 360 CZ TYR A 24 53.174 -76.879 49.656 1.00 0.00 C ATOM 361 OH TYR A 24 52.611 -78.095 49.323 1.00 0.00 O ATOM 0 H TYR A 24 55.236 -73.326 53.128 1.00 0.00 H new ATOM 0 HA TYR A 24 56.730 -74.242 50.941 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.284 -72.554 51.400 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.018 -72.457 49.812 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.417 -75.193 52.339 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.081 -73.914 48.252 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.407 -77.378 51.739 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.073 -76.101 47.650 1.00 0.00 H new ATOM 0 HH TYR A 24 52.404 -78.108 48.365 1.00 0.00 H new ATOM 371 N ASP A 25 56.904 -70.962 51.414 1.00 0.00 N ATOM 372 CA ASP A 25 57.710 -69.785 51.112 1.00 0.00 C ATOM 373 C ASP A 25 59.167 -70.015 51.500 1.00 0.00 C ATOM 374 O ASP A 25 60.081 -69.638 50.766 1.00 0.00 O ATOM 375 CB ASP A 25 57.165 -68.573 51.870 1.00 0.00 C ATOM 376 CG ASP A 25 55.797 -68.184 51.318 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.419 -68.726 50.292 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.148 -67.351 51.928 1.00 0.00 O ATOM 0 H ASP A 25 56.089 -70.780 52.000 1.00 0.00 H new ATOM 0 HA ASP A 25 57.658 -69.599 50.039 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.085 -68.804 52.932 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.856 -67.735 51.777 1.00 0.00 H new ATOM 383 N CYS A 26 59.377 -70.636 52.655 1.00 0.00 N ATOM 384 CA CYS A 26 60.729 -70.906 53.132 1.00 0.00 C ATOM 385 C CYS A 26 61.530 -71.659 52.074 1.00 0.00 C ATOM 386 O CYS A 26 62.649 -71.271 51.738 1.00 0.00 O ATOM 387 CB CYS A 26 60.674 -71.733 54.418 1.00 0.00 C ATOM 388 SG CYS A 26 62.013 -71.221 55.522 1.00 0.00 S ATOM 0 H CYS A 26 58.635 -70.960 53.275 1.00 0.00 H new ATOM 0 HA CYS A 26 61.220 -69.954 53.334 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.711 -71.597 54.910 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.766 -72.794 54.185 1.00 0.00 H new ATOM 393 N LYS A 27 60.952 -72.737 51.557 1.00 0.00 N ATOM 394 CA LYS A 27 61.625 -73.538 50.540 1.00 0.00 C ATOM 395 C LYS A 27 61.806 -72.737 49.255 1.00 0.00 C ATOM 396 O LYS A 27 62.908 -72.655 48.713 1.00 0.00 O ATOM 397 CB LYS A 27 60.810 -74.799 50.247 1.00 0.00 C ATOM 398 CG LYS A 27 60.573 -75.568 51.548 1.00 0.00 C ATOM 399 CD LYS A 27 59.504 -76.638 51.322 1.00 0.00 C ATOM 400 CE LYS A 27 59.935 -77.561 50.180 1.00 0.00 C ATOM 401 NZ LYS A 27 61.391 -77.853 50.302 1.00 0.00 N ATOM 0 H LYS A 27 60.027 -73.075 51.822 1.00 0.00 H new ATOM 0 HA LYS A 27 62.608 -73.819 50.919 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.857 -74.531 49.792 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.339 -75.428 49.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.501 -76.031 51.883 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.256 -74.883 52.335 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.355 -77.216 52.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.550 -76.168 51.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 59.363 -78.488 50.212 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.727 -77.091 49.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 61.579 -78.822 49.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 61.930 -77.180 49.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 61.681 -77.761 51.296 1.00 0.00 H new ATOM 415 N LEU A 28 60.717 -72.149 48.772 1.00 0.00 N ATOM 416 CA LEU A 28 60.760 -71.386 47.529 1.00 0.00 C ATOM 417 C LEU A 28 61.836 -70.307 47.597 1.00 0.00 C ATOM 418 O LEU A 28 62.402 -69.916 46.575 1.00 0.00 O ATOM 419 CB LEU A 28 59.400 -70.738 47.266 1.00 0.00 C ATOM 420 CG LEU A 28 58.332 -71.825 47.136 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.943 -71.194 47.249 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.470 -72.512 45.775 1.00 0.00 C ATOM 0 H LEU A 28 59.800 -72.185 49.218 1.00 0.00 H new ATOM 0 HA LEU A 28 61.000 -72.070 46.715 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.146 -70.059 48.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.440 -70.142 46.354 1.00 0.00 H new ATOM 0 HG LEU A 28 58.462 -72.559 47.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.183 -71.969 47.156 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.844 -70.703 48.217 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.811 -70.460 46.454 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.710 -73.287 45.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.339 -71.776 44.981 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.459 -72.962 45.693 1.00 0.00 H new ATOM 434 N ASP A 29 62.113 -69.830 48.805 1.00 0.00 N ATOM 435 CA ASP A 29 63.090 -68.762 48.988 1.00 0.00 C ATOM 436 C ASP A 29 64.468 -69.342 49.290 1.00 0.00 C ATOM 437 O ASP A 29 65.455 -68.991 48.644 1.00 0.00 O ATOM 438 CB ASP A 29 62.656 -67.848 50.134 1.00 0.00 C ATOM 439 CG ASP A 29 61.360 -67.132 49.768 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.078 -67.028 48.586 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.669 -66.699 50.676 1.00 0.00 O ATOM 0 H ASP A 29 61.679 -70.162 49.666 1.00 0.00 H new ATOM 0 HA ASP A 29 63.146 -68.185 48.065 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.514 -68.433 51.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.438 -67.118 50.344 1.00 0.00 H new ATOM 446 N LYS A 30 64.528 -70.231 50.275 1.00 0.00 N ATOM 447 CA LYS A 30 65.802 -70.790 50.711 1.00 0.00 C ATOM 448 C LYS A 30 65.941 -72.238 50.249 1.00 0.00 C ATOM 449 O LYS A 30 67.045 -72.777 50.186 1.00 0.00 O ATOM 450 CB LYS A 30 65.906 -70.726 52.236 1.00 0.00 C ATOM 451 CG LYS A 30 65.972 -69.264 52.682 1.00 0.00 C ATOM 452 CD LYS A 30 67.421 -68.777 52.623 1.00 0.00 C ATOM 453 CE LYS A 30 67.514 -67.376 53.231 1.00 0.00 C ATOM 454 NZ LYS A 30 68.946 -67.021 53.443 1.00 0.00 N ATOM 0 H LYS A 30 63.715 -70.578 50.784 1.00 0.00 H new ATOM 0 HA LYS A 30 66.605 -70.202 50.267 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.046 -71.218 52.691 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.794 -71.261 52.573 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.344 -68.648 52.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.585 -69.164 53.696 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.069 -69.464 53.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.768 -68.760 51.590 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.042 -66.649 52.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.976 -67.342 54.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.010 -66.069 53.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.382 -67.709 54.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.446 -67.037 52.531 1.00 0.00 H new ATOM 468 N HIS A 31 64.811 -72.861 49.927 1.00 0.00 N ATOM 469 CA HIS A 31 64.819 -74.242 49.460 1.00 0.00 C ATOM 470 C HIS A 31 65.165 -75.193 50.602 1.00 0.00 C ATOM 471 O HIS A 31 66.022 -76.066 50.457 1.00 0.00 O ATOM 472 CB HIS A 31 65.839 -74.406 48.332 1.00 0.00 C ATOM 473 CG HIS A 31 65.900 -73.139 47.523 1.00 0.00 C ATOM 474 ND1 HIS A 31 67.064 -72.398 47.399 1.00 0.00 N ATOM 475 CD2 HIS A 31 64.950 -72.470 46.793 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.788 -71.336 46.621 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.513 -71.332 46.223 1.00 0.00 N ATOM 0 H HIS A 31 63.886 -72.435 49.980 1.00 0.00 H new ATOM 0 HA HIS A 31 63.823 -74.485 49.089 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.821 -74.634 48.746 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.560 -75.244 47.694 1.00 0.00 H new ATOM 0 HD2 HIS A 31 63.922 -72.780 46.678 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.509 -70.579 46.351 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.051 -70.643 45.629 1.00 0.00 H new ATOM 485 N ALA A 32 64.494 -75.018 51.735 1.00 0.00 N ATOM 486 CA ALA A 32 64.720 -75.883 52.887 1.00 0.00 C ATOM 487 C ALA A 32 63.810 -77.107 52.823 1.00 0.00 C ATOM 488 O ALA A 32 63.256 -77.425 51.770 1.00 0.00 O ATOM 489 CB ALA A 32 64.453 -75.113 54.181 1.00 0.00 C ATOM 0 H ALA A 32 63.794 -74.290 51.880 1.00 0.00 H new ATOM 0 HA ALA A 32 65.758 -76.214 52.871 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.624 -75.767 55.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.124 -74.256 54.240 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.420 -74.766 54.191 1.00 0.00 H new ATOM 495 N ARG A 33 63.660 -77.786 53.954 1.00 0.00 N ATOM 496 CA ARG A 33 62.796 -78.958 54.020 1.00 0.00 C ATOM 497 C ARG A 33 61.354 -78.546 54.303 1.00 0.00 C ATOM 498 O ARG A 33 60.436 -78.923 53.573 1.00 0.00 O ATOM 499 CB ARG A 33 63.281 -79.906 55.119 1.00 0.00 C ATOM 500 CG ARG A 33 64.790 -80.122 54.977 1.00 0.00 C ATOM 501 CD ARG A 33 65.052 -81.261 53.991 1.00 0.00 C ATOM 502 NE ARG A 33 66.450 -81.257 53.575 1.00 0.00 N ATOM 503 CZ ARG A 33 66.826 -81.804 52.424 1.00 0.00 C ATOM 504 NH1 ARG A 33 65.939 -82.359 51.645 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.083 -81.787 52.074 1.00 0.00 N ATOM 0 H ARG A 33 64.122 -77.548 54.832 1.00 0.00 H new ATOM 0 HA ARG A 33 62.835 -79.468 53.057 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.053 -79.489 56.100 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.758 -80.860 55.048 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.268 -79.207 54.627 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.227 -80.359 55.947 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.806 -82.216 54.454 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.406 -81.153 53.120 1.00 0.00 H new ATOM 0 HE ARG A 33 67.151 -80.827 54.178 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.957 -82.373 51.919 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.228 -82.779 50.761 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.776 -81.354 52.684 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.372 -82.207 51.191 1.00 0.00 H new ATOM 519 N SER A 34 61.162 -77.771 55.366 1.00 0.00 N ATOM 520 CA SER A 34 59.831 -77.295 55.720 1.00 0.00 C ATOM 521 C SER A 34 59.835 -75.781 55.907 1.00 0.00 C ATOM 522 O SER A 34 59.405 -75.036 55.025 1.00 0.00 O ATOM 523 CB SER A 34 59.362 -77.968 57.010 1.00 0.00 C ATOM 524 OG SER A 34 59.063 -79.333 56.746 1.00 0.00 O ATOM 0 H SER A 34 61.905 -77.462 55.992 1.00 0.00 H new ATOM 0 HA SER A 34 59.148 -77.548 54.909 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.136 -77.894 57.774 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.480 -77.459 57.399 1.00 0.00 H new ATOM 0 HG SER A 34 59.075 -79.839 57.585 1.00 0.00 H new ATOM 530 N GLY A 35 60.320 -75.332 57.059 1.00 0.00 N ATOM 531 CA GLY A 35 60.400 -73.903 57.339 1.00 0.00 C ATOM 532 C GLY A 35 59.093 -73.391 57.935 1.00 0.00 C ATOM 533 O GLY A 35 58.480 -72.463 57.407 1.00 0.00 O ATOM 0 H GLY A 35 60.662 -75.932 57.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.220 -73.709 58.030 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.623 -73.360 56.420 1.00 0.00 H new ATOM 537 N GLU A 36 58.671 -74.004 59.036 1.00 0.00 N ATOM 538 CA GLU A 36 57.429 -73.610 59.690 1.00 0.00 C ATOM 539 C GLU A 36 57.608 -72.290 60.434 1.00 0.00 C ATOM 540 O GLU A 36 58.718 -71.767 60.529 1.00 0.00 O ATOM 541 CB GLU A 36 56.989 -74.697 60.673 1.00 0.00 C ATOM 542 CG GLU A 36 56.776 -76.011 59.920 1.00 0.00 C ATOM 543 CD GLU A 36 55.605 -75.873 58.951 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.828 -74.948 59.120 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.505 -76.694 58.054 1.00 0.00 O ATOM 0 H GLU A 36 59.167 -74.770 59.491 1.00 0.00 H new ATOM 0 HA GLU A 36 56.664 -73.480 58.925 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.744 -74.828 61.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.067 -74.399 61.173 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.681 -76.278 59.374 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.581 -76.817 60.627 1.00 0.00 H new ATOM 552 N CYS A 37 56.509 -71.760 60.960 1.00 0.00 N ATOM 553 CA CYS A 37 56.552 -70.487 61.670 1.00 0.00 C ATOM 554 C CYS A 37 57.021 -70.690 63.107 1.00 0.00 C ATOM 555 O CYS A 37 56.818 -71.754 63.691 1.00 0.00 O ATOM 556 CB CYS A 37 55.181 -69.828 61.767 1.00 0.00 C ATOM 557 SG CYS A 37 54.497 -69.574 60.110 1.00 0.00 S ATOM 0 H CYS A 37 55.585 -72.188 60.909 1.00 0.00 H new ATOM 0 HA CYS A 37 57.235 -69.857 61.100 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.509 -70.453 62.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.263 -68.873 62.286 1.00 0.00 H new ATOM 562 N PHE A 38 57.651 -69.664 63.671 1.00 0.00 N ATOM 563 CA PHE A 38 58.104 -69.727 65.055 1.00 0.00 C ATOM 564 C PHE A 38 57.935 -68.374 65.739 1.00 0.00 C ATOM 565 O PHE A 38 58.035 -67.328 65.098 1.00 0.00 O ATOM 566 CB PHE A 38 59.575 -70.144 65.104 1.00 0.00 C ATOM 567 CG PHE A 38 59.692 -71.618 64.793 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.643 -72.059 63.465 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.849 -72.543 65.832 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.749 -73.424 63.176 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.956 -73.908 65.543 1.00 0.00 C ATOM 572 CZ PHE A 38 59.907 -74.349 64.216 1.00 0.00 C ATOM 0 H PHE A 38 57.858 -68.786 63.195 1.00 0.00 H new ATOM 0 HA PHE A 38 57.498 -70.465 65.581 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.153 -69.563 64.385 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.990 -69.935 66.090 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.523 -71.345 62.663 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.888 -72.203 66.856 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.709 -73.764 62.152 1.00 0.00 H new ATOM 0 HE2 PHE A 38 60.076 -74.622 66.345 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.991 -75.403 63.994 1.00 0.00 H new ATOM 582 N TYR A 39 57.678 -68.404 67.042 1.00 0.00 N ATOM 583 CA TYR A 39 57.487 -67.173 67.801 1.00 0.00 C ATOM 584 C TYR A 39 58.801 -66.727 68.435 1.00 0.00 C ATOM 585 O TYR A 39 59.294 -67.355 69.372 1.00 0.00 O ATOM 586 CB TYR A 39 56.438 -67.392 68.893 1.00 0.00 C ATOM 587 CG TYR A 39 55.076 -67.542 68.262 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.795 -68.654 67.458 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.092 -66.570 68.479 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.531 -68.793 66.871 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.828 -66.710 67.893 1.00 0.00 C ATOM 592 CZ TYR A 39 52.548 -67.821 67.089 1.00 0.00 C ATOM 593 OH TYR A 39 51.302 -67.958 66.512 1.00 0.00 O ATOM 0 H TYR A 39 57.598 -69.260 67.591 1.00 0.00 H new ATOM 0 HA TYR A 39 57.144 -66.395 67.119 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.682 -68.282 69.472 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.438 -66.551 69.586 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.553 -69.405 67.291 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.308 -65.712 69.098 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.315 -69.650 66.250 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.069 -65.960 68.061 1.00 0.00 H new ATOM 0 HH TYR A 39 50.739 -67.197 66.765 1.00 0.00 H new ATOM 603 N ASP A 40 59.362 -65.639 67.918 1.00 0.00 N ATOM 604 CA ASP A 40 60.615 -65.112 68.448 1.00 0.00 C ATOM 605 C ASP A 40 60.356 -64.259 69.687 1.00 0.00 C ATOM 606 O ASP A 40 59.300 -64.356 70.310 1.00 0.00 O ATOM 607 CB ASP A 40 61.319 -64.270 67.384 1.00 0.00 C ATOM 608 CG ASP A 40 61.765 -65.158 66.226 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.672 -66.366 66.363 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.192 -64.616 65.220 1.00 0.00 O ATOM 0 H ASP A 40 58.973 -65.108 67.139 1.00 0.00 H new ATOM 0 HA ASP A 40 61.252 -65.952 68.726 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.647 -63.493 67.019 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.182 -63.766 67.820 1.00 0.00 H new ATOM 615 N GLU A 41 61.329 -63.423 70.036 1.00 0.00 N ATOM 616 CA GLU A 41 61.195 -62.554 71.200 1.00 0.00 C ATOM 617 C GLU A 41 60.135 -61.486 70.953 1.00 0.00 C ATOM 618 O GLU A 41 59.350 -61.159 71.841 1.00 0.00 O ATOM 619 CB GLU A 41 62.535 -61.885 71.510 1.00 0.00 C ATOM 620 CG GLU A 41 63.571 -62.953 71.862 1.00 0.00 C ATOM 621 CD GLU A 41 63.184 -63.645 73.165 1.00 0.00 C ATOM 622 OE1 GLU A 41 62.368 -63.093 73.885 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.708 -64.715 73.424 1.00 0.00 O ATOM 0 H GLU A 41 62.212 -63.329 69.534 1.00 0.00 H new ATOM 0 HA GLU A 41 60.889 -63.163 72.051 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.872 -61.306 70.650 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.421 -61.187 72.339 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.638 -63.685 71.058 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.556 -62.497 71.961 1.00 0.00 H new ATOM 630 N LYS A 42 60.119 -60.945 69.739 1.00 0.00 N ATOM 631 CA LYS A 42 59.147 -59.919 69.382 1.00 0.00 C ATOM 632 C LYS A 42 57.767 -60.537 69.174 1.00 0.00 C ATOM 633 O LYS A 42 56.816 -59.844 68.814 1.00 0.00 O ATOM 634 CB LYS A 42 59.586 -59.204 68.102 1.00 0.00 C ATOM 635 CG LYS A 42 60.919 -58.494 68.346 1.00 0.00 C ATOM 636 CD LYS A 42 61.494 -58.014 67.013 1.00 0.00 C ATOM 637 CE LYS A 42 60.478 -57.110 66.314 1.00 0.00 C ATOM 638 NZ LYS A 42 59.815 -56.235 67.322 1.00 0.00 N ATOM 0 H LYS A 42 60.764 -61.198 68.990 1.00 0.00 H new ATOM 0 HA LYS A 42 59.091 -59.199 70.199 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.688 -59.922 67.288 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.828 -58.483 67.797 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.775 -57.648 69.017 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.620 -59.172 68.833 1.00 0.00 H new ATOM 0 HD2 LYS A 42 62.424 -57.471 67.181 1.00 0.00 H new ATOM 0 HD3 LYS A 42 61.733 -58.868 66.379 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.976 -56.501 65.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.734 -57.714 65.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 59.453 -55.379 66.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 59.026 -56.749 67.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 60.503 -55.965 68.053 1.00 0.00 H new ATOM 652 N ARG A 43 57.668 -61.842 69.404 1.00 0.00 N ATOM 653 CA ARG A 43 56.400 -62.542 69.237 1.00 0.00 C ATOM 654 C ARG A 43 55.901 -62.412 67.802 1.00 0.00 C ATOM 655 O ARG A 43 54.697 -62.322 67.558 1.00 0.00 O ATOM 656 CB ARG A 43 55.356 -61.966 70.196 1.00 0.00 C ATOM 657 CG ARG A 43 55.988 -61.758 71.574 1.00 0.00 C ATOM 658 CD ARG A 43 56.608 -63.072 72.055 1.00 0.00 C ATOM 659 NE ARG A 43 55.770 -64.199 71.662 1.00 0.00 N ATOM 660 CZ ARG A 43 54.673 -64.511 72.345 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.330 -63.803 73.387 1.00 0.00 N ATOM 662 NH2 ARG A 43 53.939 -65.524 71.975 1.00 0.00 N ATOM 0 H ARG A 43 58.444 -62.432 69.704 1.00 0.00 H new ATOM 0 HA ARG A 43 56.557 -63.597 69.461 1.00 0.00 H new ATOM 0 HB2 ARG A 43 54.977 -61.019 69.812 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.505 -62.643 70.273 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.751 -60.981 71.522 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.234 -61.418 72.284 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.606 -63.187 71.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.721 -63.054 73.139 1.00 0.00 H new ATOM 0 HE ARG A 43 56.030 -64.757 70.849 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.904 -63.011 73.677 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.488 -64.042 73.911 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.207 -66.077 71.161 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.097 -65.763 72.500 1.00 0.00 H new ATOM 676 N ASN A 44 56.833 -62.403 66.854 1.00 0.00 N ATOM 677 CA ASN A 44 56.475 -62.287 65.445 1.00 0.00 C ATOM 678 C ASN A 44 56.690 -63.615 64.727 1.00 0.00 C ATOM 679 O ASN A 44 57.802 -64.142 64.695 1.00 0.00 O ATOM 680 CB ASN A 44 57.323 -61.202 64.778 1.00 0.00 C ATOM 681 CG ASN A 44 58.746 -61.709 64.566 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.365 -61.437 63.450 1.00 0.00 O flip ATOM 683 ND2 ASN A 44 59.307 -62.370 65.440 1.00 0.00 N flip ATOM 0 H ASN A 44 57.834 -62.474 67.034 1.00 0.00 H new ATOM 0 HA ASN A 44 55.421 -62.017 65.378 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.882 -60.921 63.822 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.336 -60.306 65.399 1.00 0.00 H new ATOM 0 HD21 ASN A 44 58.820 -62.581 66.311 1.00 0.00 H new ATOM 0 HD22 ASN A 44 60.258 -62.707 65.293 1.00 0.00 H new ATOM 690 N LEU A 45 55.618 -64.151 64.152 1.00 0.00 N ATOM 691 CA LEU A 45 55.703 -65.416 63.431 1.00 0.00 C ATOM 692 C LEU A 45 56.832 -65.374 62.406 1.00 0.00 C ATOM 693 O LEU A 45 56.773 -64.623 61.434 1.00 0.00 O ATOM 694 CB LEU A 45 54.378 -65.701 62.720 1.00 0.00 C ATOM 695 CG LEU A 45 53.216 -65.238 63.599 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.891 -65.628 62.943 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.319 -65.905 64.973 1.00 0.00 C ATOM 0 H LEU A 45 54.688 -63.733 64.171 1.00 0.00 H new ATOM 0 HA LEU A 45 55.909 -66.209 64.150 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.350 -65.185 61.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.287 -66.767 62.511 1.00 0.00 H new ATOM 0 HG LEU A 45 53.259 -64.155 63.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.063 -65.298 63.570 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.816 -65.154 61.964 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.848 -66.711 62.826 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.491 -65.575 65.600 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.277 -66.988 64.856 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.263 -65.627 65.442 1.00 0.00 H new ATOM 709 N GLN A 46 57.860 -66.185 62.634 1.00 0.00 N ATOM 710 CA GLN A 46 58.998 -66.232 61.724 1.00 0.00 C ATOM 711 C GLN A 46 59.195 -67.647 61.187 1.00 0.00 C ATOM 712 O GLN A 46 59.041 -68.626 61.916 1.00 0.00 O ATOM 713 CB GLN A 46 60.266 -65.779 62.450 1.00 0.00 C ATOM 714 CG GLN A 46 60.255 -64.255 62.593 1.00 0.00 C ATOM 715 CD GLN A 46 60.506 -63.602 61.239 1.00 0.00 C ATOM 716 OE1 GLN A 46 60.664 -64.296 60.234 1.00 0.00 O ATOM 717 NE2 GLN A 46 60.550 -62.301 61.151 1.00 0.00 N ATOM 0 H GLN A 46 57.928 -66.814 63.434 1.00 0.00 H new ATOM 0 HA GLN A 46 58.799 -65.562 60.888 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.322 -66.247 63.433 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.149 -66.097 61.895 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.296 -63.926 62.992 1.00 0.00 H new ATOM 0 HG3 GLN A 46 61.020 -63.943 63.304 1.00 0.00 H new ATOM 0 HE21 GLN A 46 60.419 -61.729 61.985 1.00 0.00 H new ATOM 0 HE22 GLN A 46 60.716 -61.856 60.248 1.00 0.00 H new ATOM 726 N CYS A 47 59.537 -67.745 59.905 1.00 0.00 N ATOM 727 CA CYS A 47 59.763 -69.044 59.283 1.00 0.00 C ATOM 728 C CYS A 47 61.190 -69.521 59.538 1.00 0.00 C ATOM 729 O CYS A 47 62.154 -68.840 59.186 1.00 0.00 O ATOM 730 CB CYS A 47 59.538 -68.955 57.773 1.00 0.00 C ATOM 731 SG CYS A 47 57.776 -68.755 57.411 1.00 0.00 S ATOM 0 H CYS A 47 59.663 -66.947 59.282 1.00 0.00 H new ATOM 0 HA CYS A 47 59.059 -69.752 59.721 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.098 -68.114 57.364 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.916 -69.855 57.288 1.00 0.00 H new ATOM 736 N ILE A 48 61.316 -70.694 60.149 1.00 0.00 N ATOM 737 CA ILE A 48 62.630 -71.256 60.437 1.00 0.00 C ATOM 738 C ILE A 48 62.959 -72.378 59.458 1.00 0.00 C ATOM 739 O ILE A 48 62.622 -73.539 59.692 1.00 0.00 O ATOM 740 CB ILE A 48 62.667 -71.799 61.866 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.516 -70.640 62.855 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.001 -72.506 62.111 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.636 -71.170 64.285 1.00 0.00 C ATOM 0 H ILE A 48 60.531 -71.270 60.452 1.00 0.00 H new ATOM 0 HA ILE A 48 63.372 -70.465 60.330 1.00 0.00 H new ATOM 0 HB ILE A 48 61.850 -72.507 62.006 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.282 -69.887 62.669 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.551 -70.153 62.716 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.026 -72.893 63.130 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.110 -73.331 61.407 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.819 -71.799 61.971 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.529 -70.345 64.989 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.853 -71.907 64.467 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.612 -71.637 64.419 1.00 0.00 H new ATOM 755 N CYS A 49 63.618 -72.024 58.359 1.00 0.00 N ATOM 756 CA CYS A 49 63.992 -73.011 57.352 1.00 0.00 C ATOM 757 C CYS A 49 64.893 -74.082 57.960 1.00 0.00 C ATOM 758 O CYS A 49 66.066 -73.833 58.239 1.00 0.00 O ATOM 759 CB CYS A 49 64.744 -72.328 56.206 1.00 0.00 C ATOM 760 SG CYS A 49 63.650 -72.141 54.776 1.00 0.00 S ATOM 0 H CYS A 49 63.902 -71.068 58.144 1.00 0.00 H new ATOM 0 HA CYS A 49 63.081 -73.476 56.976 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.106 -71.352 56.528 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.619 -72.917 55.931 1.00 0.00 H new ATOM 765 N ASP A 50 64.338 -75.272 58.163 1.00 0.00 N ATOM 766 CA ASP A 50 65.105 -76.376 58.728 1.00 0.00 C ATOM 767 C ASP A 50 65.719 -77.224 57.619 1.00 0.00 C ATOM 768 O ASP A 50 65.009 -77.765 56.772 1.00 0.00 O ATOM 769 CB ASP A 50 64.201 -77.248 59.600 1.00 0.00 C ATOM 770 CG ASP A 50 63.099 -77.872 58.749 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.367 -78.174 57.598 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.004 -78.037 59.261 1.00 0.00 O ATOM 0 H ASP A 50 63.367 -75.496 57.947 1.00 0.00 H new ATOM 0 HA ASP A 50 65.907 -75.962 59.339 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.789 -78.031 60.079 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.761 -76.648 60.396 1.00 0.00 H new ATOM 777 N TYR A 51 67.043 -77.337 57.632 1.00 0.00 N ATOM 778 CA TYR A 51 67.742 -78.132 56.629 1.00 0.00 C ATOM 779 C TYR A 51 68.114 -79.500 57.191 1.00 0.00 C ATOM 780 O TYR A 51 69.292 -79.836 57.303 1.00 0.00 O ATOM 781 CB TYR A 51 69.008 -77.403 56.174 1.00 0.00 C ATOM 782 CG TYR A 51 68.643 -76.334 55.173 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.313 -75.047 55.613 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.633 -76.631 53.805 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.974 -74.055 54.685 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.293 -75.639 52.877 1.00 0.00 C ATOM 787 CZ TYR A 51 67.964 -74.351 53.316 1.00 0.00 C ATOM 788 OH TYR A 51 67.630 -73.374 52.401 1.00 0.00 O ATOM 0 H TYR A 51 67.650 -76.892 58.320 1.00 0.00 H new ATOM 0 HA TYR A 51 67.077 -78.272 55.777 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.511 -76.956 57.032 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.707 -78.110 55.728 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.320 -74.819 56.669 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.887 -77.624 53.466 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.720 -73.062 55.025 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.285 -75.868 51.822 1.00 0.00 H new ATOM 0 HH TYR A 51 67.750 -73.722 51.493 1.00 0.00 H new ATOM 798 N CYS A 52 67.101 -80.285 57.545 1.00 0.00 N ATOM 799 CA CYS A 52 67.335 -81.616 58.093 1.00 0.00 C ATOM 800 C CYS A 52 66.023 -82.388 58.205 1.00 0.00 C ATOM 801 O CYS A 52 64.981 -81.929 57.738 1.00 0.00 O ATOM 802 CB CYS A 52 67.983 -81.505 59.475 1.00 0.00 C ATOM 803 SG CYS A 52 69.777 -81.352 59.288 1.00 0.00 S ATOM 0 H CYS A 52 66.118 -80.025 57.463 1.00 0.00 H new ATOM 0 HA CYS A 52 68.003 -82.153 57.420 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.587 -80.640 60.006 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.742 -82.384 60.073 1.00 0.00 H new ATOM 808 N GLU A 53 66.085 -83.561 58.828 1.00 0.00 N ATOM 809 CA GLU A 53 64.895 -84.387 58.997 1.00 0.00 C ATOM 810 C GLU A 53 64.249 -84.125 60.353 1.00 0.00 C ATOM 811 O GLU A 53 64.438 -84.888 61.300 1.00 0.00 O ATOM 812 CB GLU A 53 65.267 -85.866 58.885 1.00 0.00 C ATOM 813 CG GLU A 53 65.874 -86.137 57.507 1.00 0.00 C ATOM 814 CD GLU A 53 64.829 -85.902 56.421 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.653 -85.899 56.748 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.219 -85.728 55.278 1.00 0.00 O ATOM 0 H GLU A 53 66.939 -83.958 59.221 1.00 0.00 H new ATOM 0 HA GLU A 53 64.183 -84.130 58.213 1.00 0.00 H new ATOM 0 HB2 GLU A 53 65.979 -86.133 59.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.383 -86.486 59.033 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.732 -85.485 57.344 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.239 -87.163 57.456 1.00 0.00 H new ATOM 823 N TYR A 54 63.485 -83.041 60.440 1.00 0.00 N ATOM 824 CA TYR A 54 62.811 -82.691 61.684 1.00 0.00 C ATOM 825 C TYR A 54 63.727 -82.937 62.878 1.00 0.00 C ATOM 826 CB TYR A 54 61.534 -83.520 61.838 1.00 0.00 C ATOM 827 CG TYR A 54 60.550 -83.135 60.760 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.629 -82.105 60.989 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.557 -83.807 59.533 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.716 -81.748 59.990 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.643 -83.450 58.533 1.00 0.00 C ATOM 832 CZ TYR A 54 58.723 -82.420 58.763 1.00 0.00 C ATOM 833 OH TYR A 54 57.822 -82.067 57.778 1.00 0.00 O ATOM 0 H TYR A 54 63.318 -82.394 59.669 1.00 0.00 H new ATOM 0 HA TYR A 54 62.554 -81.632 61.650 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.767 -84.583 61.770 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.096 -83.353 62.822 1.00 0.00 H new ATOM 0 HD1 TYR A 54 59.623 -81.586 61.936 1.00 0.00 H new ATOM 0 HD2 TYR A 54 61.267 -84.601 59.357 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.006 -80.954 60.166 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.648 -83.969 57.586 1.00 0.00 H new ATOM 0 HH TYR A 54 57.962 -82.631 56.989 1.00 0.00 H new TER 843 TYR A 54