USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 ASN : amide:sc= -6.43! C(o=-13!,f=-8.4!) USER MOD Set 2.2: A 46 GLN : amide:sc= -6.47! C(o=-13!,f=-0.74!) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc= -0.286 (180deg=-1.29!) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= -0.016 (180deg=-1.23) USER MOD Single : A 6 LYS NZ :NH3+ -126:sc= -3.65! (180deg=-9.11!) USER MOD Single : A 8 TYR OH : rot 42:sc= -3.97! USER MOD Single : A 10 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6.1!) USER MOD Single : A 11 TYR OH : rot 104:sc= 0.0192 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0364 K(o=-0.036,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -9.71! C(o=-9.7!,f=-28!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= -0.0254 (180deg=-0.166) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -179:sc= -0.607 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 70.372 -78.400 66.885 1.00 0.00 N ATOM 2 CA ASP A 2 69.567 -78.269 65.675 1.00 0.00 C ATOM 3 C ASP A 2 70.164 -77.218 64.746 1.00 0.00 C ATOM 4 O ASP A 2 69.531 -76.205 64.450 1.00 0.00 O ATOM 5 CB ASP A 2 68.134 -77.874 66.042 1.00 0.00 C ATOM 6 CG ASP A 2 68.133 -76.531 66.763 1.00 0.00 C ATOM 7 OD1 ASP A 2 69.165 -75.879 66.763 1.00 0.00 O ATOM 8 OD2 ASP A 2 67.100 -76.173 67.305 1.00 0.00 O ATOM 0 HA ASP A 2 69.559 -79.230 65.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 67.523 -77.813 65.142 1.00 0.00 H new ATOM 0 HB3 ASP A 2 67.689 -78.638 66.679 1.00 0.00 H new ATOM 13 N LYS A 3 71.387 -77.467 64.289 1.00 0.00 N ATOM 14 CA LYS A 3 72.059 -76.534 63.390 1.00 0.00 C ATOM 15 C LYS A 3 71.296 -76.414 62.075 1.00 0.00 C ATOM 16 O LYS A 3 71.377 -75.394 61.391 1.00 0.00 O ATOM 17 CB LYS A 3 73.485 -77.015 63.112 1.00 0.00 C ATOM 18 CG LYS A 3 73.439 -78.328 62.329 1.00 0.00 C ATOM 19 CD LYS A 3 74.852 -78.904 62.212 1.00 0.00 C ATOM 20 CE LYS A 3 74.856 -80.043 61.192 1.00 0.00 C ATOM 21 NZ LYS A 3 74.355 -79.539 59.882 1.00 0.00 N ATOM 0 H LYS A 3 71.929 -78.299 64.523 1.00 0.00 H new ATOM 0 HA LYS A 3 72.091 -75.555 63.869 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.030 -76.260 62.545 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.021 -77.158 64.050 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.785 -79.041 62.832 1.00 0.00 H new ATOM 0 HG3 LYS A 3 73.021 -78.157 61.337 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.550 -78.125 61.905 1.00 0.00 H new ATOM 0 HD3 LYS A 3 75.189 -79.269 63.182 1.00 0.00 H new ATOM 0 HE2 LYS A 3 75.865 -80.441 61.079 1.00 0.00 H new ATOM 0 HE3 LYS A 3 74.228 -80.862 61.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.747 -80.120 59.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 73.317 -79.594 59.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 74.651 -78.550 59.754 1.00 0.00 H new ATOM 35 N CYS A 4 70.554 -77.460 61.729 1.00 0.00 N ATOM 36 CA CYS A 4 69.778 -77.459 60.494 1.00 0.00 C ATOM 37 C CYS A 4 68.629 -76.469 60.548 1.00 0.00 C ATOM 38 O CYS A 4 67.564 -76.816 60.039 1.00 0.00 O ATOM 39 CB CYS A 4 69.143 -78.834 60.275 1.00 0.00 C ATOM 40 SG CYS A 4 70.405 -80.118 60.467 1.00 0.00 S ATOM 0 H CYS A 4 70.473 -78.314 62.281 1.00 0.00 H new ATOM 0 HA CYS A 4 70.470 -77.192 59.695 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.336 -78.992 60.991 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.702 -78.888 59.280 1.00 0.00 H new ATOM 45 N LYS A 5 68.793 -75.303 61.163 1.00 0.00 N ATOM 46 CA LYS A 5 67.698 -74.344 61.264 1.00 0.00 C ATOM 47 C LYS A 5 68.160 -72.954 60.835 1.00 0.00 C ATOM 48 O LYS A 5 69.261 -72.524 61.176 1.00 0.00 O ATOM 49 CB LYS A 5 67.182 -74.292 62.704 1.00 0.00 C ATOM 50 CG LYS A 5 66.875 -75.710 63.188 1.00 0.00 C ATOM 51 CD LYS A 5 65.615 -76.226 62.489 1.00 0.00 C ATOM 52 CE LYS A 5 65.095 -77.464 63.223 1.00 0.00 C ATOM 53 NZ LYS A 5 63.860 -77.957 62.550 1.00 0.00 N ATOM 0 H LYS A 5 69.666 -75.000 61.596 1.00 0.00 H new ATOM 0 HA LYS A 5 66.895 -74.666 60.602 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.926 -73.829 63.352 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.285 -73.676 62.758 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.717 -76.369 62.976 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.732 -75.714 64.269 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.850 -75.450 62.476 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.837 -76.472 61.451 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.856 -78.244 63.227 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.883 -77.221 64.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.274 -78.474 63.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.323 -77.149 62.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.120 -78.593 61.769 1.00 0.00 H new ATOM 67 N LYS A 6 67.311 -72.260 60.086 1.00 0.00 N ATOM 68 CA LYS A 6 67.624 -70.904 59.652 1.00 0.00 C ATOM 69 C LYS A 6 66.419 -69.988 59.836 1.00 0.00 C ATOM 70 O LYS A 6 65.386 -70.169 59.193 1.00 0.00 O ATOM 71 CB LYS A 6 68.041 -70.909 58.179 1.00 0.00 C ATOM 72 CG LYS A 6 69.496 -71.364 58.061 1.00 0.00 C ATOM 73 CD LYS A 6 69.740 -71.942 56.665 1.00 0.00 C ATOM 74 CE LYS A 6 69.337 -70.912 55.608 1.00 0.00 C ATOM 75 NZ LYS A 6 67.867 -70.986 55.377 1.00 0.00 N ATOM 0 H LYS A 6 66.407 -72.611 59.769 1.00 0.00 H new ATOM 0 HA LYS A 6 68.446 -70.531 60.262 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.393 -71.575 57.609 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.925 -69.912 57.754 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.166 -70.523 58.240 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.716 -72.115 58.820 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.791 -72.207 56.548 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.164 -72.858 56.533 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.614 -69.910 55.937 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.872 -71.102 54.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.681 -71.121 54.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 67.472 -71.786 55.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.421 -70.103 55.696 1.00 0.00 H new ATOM 89 N VAL A 7 66.558 -69.004 60.720 1.00 0.00 N ATOM 90 CA VAL A 7 65.454 -68.101 61.020 1.00 0.00 C ATOM 91 C VAL A 7 65.257 -67.101 59.886 1.00 0.00 C ATOM 92 O VAL A 7 66.224 -66.570 59.340 1.00 0.00 O ATOM 93 CB VAL A 7 65.733 -67.350 62.322 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.555 -66.429 62.644 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.918 -68.355 63.461 1.00 0.00 C ATOM 0 H VAL A 7 67.417 -68.813 61.236 1.00 0.00 H new ATOM 0 HA VAL A 7 64.545 -68.692 61.130 1.00 0.00 H new ATOM 0 HB VAL A 7 66.639 -66.755 62.210 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.755 -65.894 63.572 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.421 -65.712 61.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.648 -67.024 62.756 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.117 -67.820 64.390 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.011 -68.950 63.572 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.758 -69.012 63.234 1.00 0.00 H new ATOM 105 N TYR A 8 64.000 -66.850 59.535 1.00 0.00 N ATOM 106 CA TYR A 8 63.687 -65.876 58.495 1.00 0.00 C ATOM 107 C TYR A 8 63.590 -64.473 59.087 1.00 0.00 C ATOM 108 O TYR A 8 62.929 -64.262 60.104 1.00 0.00 O ATOM 109 CB TYR A 8 62.365 -66.240 57.819 1.00 0.00 C ATOM 110 CG TYR A 8 62.642 -67.047 56.573 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.464 -68.179 56.640 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.076 -66.665 55.351 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.720 -68.927 55.485 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.333 -67.413 54.196 1.00 0.00 C ATOM 115 CZ TYR A 8 63.155 -68.544 54.263 1.00 0.00 C ATOM 116 OH TYR A 8 63.408 -69.281 53.124 1.00 0.00 O ATOM 0 H TYR A 8 63.187 -67.304 59.952 1.00 0.00 H new ATOM 0 HA TYR A 8 64.488 -65.891 57.756 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.739 -66.812 58.504 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.813 -65.335 57.564 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.900 -68.475 57.583 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.441 -65.793 55.299 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.354 -69.800 55.537 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.897 -67.117 53.253 1.00 0.00 H new ATOM 0 HH TYR A 8 63.370 -70.237 53.338 1.00 0.00 H new ATOM 126 N GLU A 9 64.252 -63.518 58.443 1.00 0.00 N ATOM 127 CA GLU A 9 64.220 -62.135 58.906 1.00 0.00 C ATOM 128 C GLU A 9 63.525 -61.243 57.882 1.00 0.00 C ATOM 129 O GLU A 9 63.804 -61.320 56.685 1.00 0.00 O ATOM 130 CB GLU A 9 65.645 -61.630 59.140 1.00 0.00 C ATOM 131 CG GLU A 9 66.303 -62.452 60.251 1.00 0.00 C ATOM 132 CD GLU A 9 66.709 -63.821 59.714 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.700 -63.988 58.505 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.022 -64.682 60.519 1.00 0.00 O ATOM 0 H GLU A 9 64.813 -63.674 57.606 1.00 0.00 H new ATOM 0 HA GLU A 9 63.662 -62.098 59.842 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.226 -61.710 58.221 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.628 -60.575 59.415 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.179 -61.927 60.633 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.612 -62.570 61.086 1.00 0.00 H new ATOM 141 N ASN A 10 62.619 -60.397 58.361 1.00 0.00 N ATOM 142 CA ASN A 10 61.904 -59.480 57.481 1.00 0.00 C ATOM 143 C ASN A 10 60.980 -60.250 56.543 1.00 0.00 C ATOM 144 O ASN A 10 61.160 -60.233 55.326 1.00 0.00 O ATOM 145 CB ASN A 10 62.900 -58.660 56.660 1.00 0.00 C ATOM 146 CG ASN A 10 64.085 -58.256 57.531 1.00 0.00 C ATOM 147 OD1 ASN A 10 64.081 -58.500 58.737 1.00 0.00 O ATOM 148 ND2 ASN A 10 65.104 -57.648 56.988 1.00 0.00 N ATOM 0 H ASN A 10 62.364 -60.327 59.346 1.00 0.00 H new ATOM 0 HA ASN A 10 61.303 -58.810 58.096 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.247 -59.242 55.807 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.411 -57.771 56.262 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.900 -57.374 57.564 1.00 0.00 H new ATOM 0 HD22 ASN A 10 65.104 -57.447 55.988 1.00 0.00 H new ATOM 155 N TYR A 11 59.987 -60.922 57.118 1.00 0.00 N ATOM 156 CA TYR A 11 59.019 -61.666 56.321 1.00 0.00 C ATOM 157 C TYR A 11 57.600 -61.382 56.802 1.00 0.00 C ATOM 158 O TYR A 11 57.381 -61.055 57.968 1.00 0.00 O ATOM 159 CB TYR A 11 59.303 -63.166 56.420 1.00 0.00 C ATOM 160 CG TYR A 11 60.221 -63.580 55.295 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.571 -63.213 55.320 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.720 -64.331 54.224 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.420 -63.596 54.276 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.570 -64.714 53.180 1.00 0.00 C ATOM 165 CZ TYR A 11 61.920 -64.347 53.205 1.00 0.00 C ATOM 166 OH TYR A 11 62.758 -64.725 52.176 1.00 0.00 O ATOM 0 H TYR A 11 59.832 -60.966 58.125 1.00 0.00 H new ATOM 0 HA TYR A 11 59.110 -61.348 55.282 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.761 -63.397 57.381 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.370 -63.728 56.368 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.958 -62.634 56.145 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.678 -64.614 54.204 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.462 -63.312 54.296 1.00 0.00 H new ATOM 0 HE2 TYR A 11 60.184 -65.293 52.354 1.00 0.00 H new ATOM 0 HH TYR A 11 62.989 -65.672 52.274 1.00 0.00 H new ATOM 176 N PRO A 12 56.642 -61.503 55.924 1.00 0.00 N ATOM 177 CA PRO A 12 55.210 -61.250 56.251 1.00 0.00 C ATOM 178 C PRO A 12 54.694 -62.187 57.340 1.00 0.00 C ATOM 179 O PRO A 12 54.764 -63.410 57.206 1.00 0.00 O ATOM 180 CB PRO A 12 54.459 -61.486 54.903 1.00 0.00 C ATOM 181 CG PRO A 12 55.413 -62.250 54.043 1.00 0.00 C ATOM 182 CD PRO A 12 56.823 -61.894 54.518 1.00 0.00 C ATOM 0 HA PRO A 12 55.058 -60.246 56.648 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.537 -62.046 55.060 1.00 0.00 H new ATOM 0 HB3 PRO A 12 54.182 -60.540 54.437 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.236 -63.322 54.128 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.282 -61.988 52.993 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.501 -62.743 54.425 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.248 -61.081 53.930 1.00 0.00 H new ATOM 190 N VAL A 13 54.176 -61.607 58.417 1.00 0.00 N ATOM 191 CA VAL A 13 53.662 -62.399 59.528 1.00 0.00 C ATOM 192 C VAL A 13 52.279 -62.952 59.198 1.00 0.00 C ATOM 193 O VAL A 13 52.018 -64.143 59.371 1.00 0.00 O ATOM 194 CB VAL A 13 53.580 -61.538 60.790 1.00 0.00 C ATOM 195 CG1 VAL A 13 53.408 -62.440 62.013 1.00 0.00 C ATOM 196 CG2 VAL A 13 54.867 -60.724 60.935 1.00 0.00 C ATOM 0 H VAL A 13 54.101 -60.598 58.544 1.00 0.00 H new ATOM 0 HA VAL A 13 54.343 -63.232 59.700 1.00 0.00 H new ATOM 0 HB VAL A 13 52.728 -60.862 60.714 1.00 0.00 H new ATOM 0 HG11 VAL A 13 53.350 -61.827 62.912 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.492 -63.021 61.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 54.260 -63.116 62.089 1.00 0.00 H new ATOM 0 HG21 VAL A 13 54.810 -60.110 61.834 1.00 0.00 H new ATOM 0 HG22 VAL A 13 55.719 -61.400 61.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 54.991 -60.081 60.064 1.00 0.00 H new ATOM 206 N SER A 14 51.398 -62.080 58.718 1.00 0.00 N ATOM 207 CA SER A 14 50.032 -62.485 58.403 1.00 0.00 C ATOM 208 C SER A 14 50.032 -63.739 57.535 1.00 0.00 C ATOM 209 O SER A 14 49.168 -64.603 57.676 1.00 0.00 O ATOM 210 CB SER A 14 49.310 -61.355 57.669 1.00 0.00 C ATOM 211 OG SER A 14 49.391 -60.165 58.444 1.00 0.00 O ATOM 0 H SER A 14 51.602 -61.097 58.540 1.00 0.00 H new ATOM 0 HA SER A 14 49.513 -62.703 59.336 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.760 -61.196 56.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.267 -61.623 57.501 1.00 0.00 H new ATOM 0 HG SER A 14 48.931 -59.438 57.976 1.00 0.00 H new ATOM 217 N LYS A 15 51.007 -63.831 56.637 1.00 0.00 N ATOM 218 CA LYS A 15 51.103 -64.978 55.742 1.00 0.00 C ATOM 219 C LYS A 15 51.519 -66.226 56.515 1.00 0.00 C ATOM 220 O LYS A 15 51.148 -67.342 56.156 1.00 0.00 O ATOM 221 CB LYS A 15 52.125 -64.696 54.638 1.00 0.00 C ATOM 222 CG LYS A 15 51.552 -63.663 53.665 1.00 0.00 C ATOM 223 CD LYS A 15 52.440 -63.588 52.421 1.00 0.00 C ATOM 224 CE LYS A 15 51.927 -62.485 51.493 1.00 0.00 C ATOM 225 NZ LYS A 15 52.907 -62.268 50.392 1.00 0.00 N ATOM 0 H LYS A 15 51.737 -63.130 56.510 1.00 0.00 H new ATOM 0 HA LYS A 15 50.124 -65.149 55.295 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.053 -64.326 55.073 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.366 -65.617 54.107 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.535 -63.937 53.383 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.497 -62.686 54.145 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.471 -63.385 52.709 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.437 -64.546 51.901 1.00 0.00 H new ATOM 0 HE2 LYS A 15 50.957 -62.763 51.081 1.00 0.00 H new ATOM 0 HE3 LYS A 15 51.783 -61.561 52.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 52.559 -61.518 49.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 53.823 -61.985 50.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.023 -63.149 49.852 1.00 0.00 H new ATOM 239 N CYS A 16 52.291 -66.027 57.579 1.00 0.00 N ATOM 240 CA CYS A 16 52.746 -67.143 58.400 1.00 0.00 C ATOM 241 C CYS A 16 51.579 -67.753 59.168 1.00 0.00 C ATOM 242 O CYS A 16 51.728 -68.780 59.829 1.00 0.00 O ATOM 243 CB CYS A 16 53.815 -66.665 59.384 1.00 0.00 C ATOM 244 SG CYS A 16 55.425 -67.335 58.899 1.00 0.00 S ATOM 0 H CYS A 16 52.612 -65.111 57.891 1.00 0.00 H new ATOM 0 HA CYS A 16 53.171 -67.903 57.745 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.851 -65.576 59.397 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.564 -66.988 60.395 1.00 0.00 H new ATOM 249 N GLN A 17 50.418 -67.113 59.078 1.00 0.00 N ATOM 250 CA GLN A 17 49.231 -67.600 59.772 1.00 0.00 C ATOM 251 C GLN A 17 48.839 -68.980 59.256 1.00 0.00 C ATOM 252 O GLN A 17 47.953 -69.632 59.808 1.00 0.00 O ATOM 253 CB GLN A 17 48.069 -66.627 59.568 1.00 0.00 C ATOM 254 CG GLN A 17 47.579 -66.714 58.121 1.00 0.00 C ATOM 255 CD GLN A 17 46.696 -65.513 57.797 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.919 -64.420 58.317 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.704 -65.651 56.962 1.00 0.00 N ATOM 0 H GLN A 17 50.274 -66.262 58.535 1.00 0.00 H new ATOM 0 HA GLN A 17 49.459 -67.673 60.835 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.256 -66.866 60.254 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.388 -65.610 59.795 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.430 -66.744 57.441 1.00 0.00 H new ATOM 0 HG3 GLN A 17 47.020 -67.638 57.972 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.521 -66.558 56.532 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.111 -64.852 56.738 1.00 0.00 H new ATOM 266 N LEU A 18 49.506 -69.421 58.193 1.00 0.00 N ATOM 267 CA LEU A 18 49.236 -70.736 57.625 1.00 0.00 C ATOM 268 C LEU A 18 50.520 -71.554 57.536 1.00 0.00 C ATOM 269 O LEU A 18 51.335 -71.353 56.635 1.00 0.00 O ATOM 270 CB LEU A 18 48.624 -70.587 56.231 1.00 0.00 C ATOM 271 CG LEU A 18 47.120 -70.344 56.356 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.628 -69.547 55.147 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.391 -71.689 56.410 1.00 0.00 C ATOM 0 H LEU A 18 50.232 -68.891 57.711 1.00 0.00 H new ATOM 0 HA LEU A 18 48.533 -71.256 58.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.094 -69.757 55.703 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.810 -71.486 55.643 1.00 0.00 H new ATOM 0 HG LEU A 18 46.917 -69.782 57.267 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.556 -69.374 55.237 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.148 -68.590 55.106 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.830 -70.108 54.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.318 -71.518 56.499 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.594 -72.250 55.498 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.741 -72.258 57.271 1.00 0.00 H new ATOM 285 N ALA A 19 50.695 -72.476 58.477 1.00 0.00 N ATOM 286 CA ALA A 19 51.885 -73.319 58.495 1.00 0.00 C ATOM 287 C ALA A 19 52.204 -73.828 57.092 1.00 0.00 C ATOM 288 O ALA A 19 53.293 -74.346 56.843 1.00 0.00 O ATOM 289 CB ALA A 19 51.669 -74.508 59.433 1.00 0.00 C ATOM 0 H ALA A 19 50.033 -72.658 59.232 1.00 0.00 H new ATOM 0 HA ALA A 19 52.724 -72.722 58.852 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.562 -75.132 59.441 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.472 -74.145 60.442 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.819 -75.095 59.086 1.00 0.00 H new ATOM 295 N ASN A 20 51.248 -73.676 56.181 1.00 0.00 N ATOM 296 CA ASN A 20 51.444 -74.116 54.804 1.00 0.00 C ATOM 297 C ASN A 20 52.196 -73.057 54.004 1.00 0.00 C ATOM 298 O ASN A 20 53.030 -73.381 53.158 1.00 0.00 O ATOM 299 CB ASN A 20 50.090 -74.388 54.147 1.00 0.00 C ATOM 300 CG ASN A 20 49.484 -75.669 54.713 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.177 -76.450 55.363 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.223 -75.930 54.502 1.00 0.00 N ATOM 0 H ASN A 20 50.338 -73.256 56.369 1.00 0.00 H new ATOM 0 HA ASN A 20 52.034 -75.032 54.815 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.416 -73.549 54.322 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.212 -74.479 53.068 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.809 -76.784 54.877 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.651 -75.280 53.963 1.00 0.00 H new ATOM 309 N GLN A 21 51.895 -71.792 54.277 1.00 0.00 N ATOM 310 CA GLN A 21 52.555 -70.693 53.581 1.00 0.00 C ATOM 311 C GLN A 21 53.983 -70.518 54.089 1.00 0.00 C ATOM 312 O GLN A 21 54.921 -70.388 53.301 1.00 0.00 O ATOM 313 CB GLN A 21 51.773 -69.396 53.795 1.00 0.00 C ATOM 314 CG GLN A 21 50.430 -69.483 53.069 1.00 0.00 C ATOM 315 CD GLN A 21 50.653 -69.507 51.561 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.207 -68.563 50.999 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.250 -70.537 50.868 1.00 0.00 N ATOM 0 H GLN A 21 51.204 -71.503 54.970 1.00 0.00 H new ATOM 0 HA GLN A 21 52.586 -70.927 52.517 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.612 -69.228 54.860 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.346 -68.548 53.421 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.896 -70.381 53.380 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.805 -68.631 53.339 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.791 -71.318 51.336 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.394 -70.560 49.859 1.00 0.00 H new ATOM 326 N CYS A 22 54.140 -70.513 55.409 1.00 0.00 N ATOM 327 CA CYS A 22 55.456 -70.338 56.012 1.00 0.00 C ATOM 328 C CYS A 22 56.451 -71.340 55.434 1.00 0.00 C ATOM 329 O CYS A 22 57.472 -70.956 54.863 1.00 0.00 O ATOM 330 CB CYS A 22 55.363 -70.525 57.527 1.00 0.00 C ATOM 331 SG CYS A 22 57.024 -70.471 58.244 1.00 0.00 S ATOM 0 H CYS A 22 53.378 -70.627 56.077 1.00 0.00 H new ATOM 0 HA CYS A 22 55.805 -69.330 55.790 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.741 -69.743 57.963 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.886 -71.478 57.758 1.00 0.00 H new ATOM 336 N ASN A 23 56.147 -72.624 55.587 1.00 0.00 N ATOM 337 CA ASN A 23 57.037 -73.674 55.104 1.00 0.00 C ATOM 338 C ASN A 23 57.252 -73.547 53.598 1.00 0.00 C ATOM 339 O ASN A 23 58.381 -73.617 53.115 1.00 0.00 O ATOM 340 CB ASN A 23 56.444 -75.048 55.422 1.00 0.00 C ATOM 341 CG ASN A 23 55.033 -75.151 54.855 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.319 -74.152 54.777 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.586 -76.309 54.450 1.00 0.00 N ATOM 0 H ASN A 23 55.297 -72.962 56.039 1.00 0.00 H new ATOM 0 HA ASN A 23 57.999 -73.567 55.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 57.073 -75.831 54.999 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.424 -75.204 56.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.643 -76.387 54.068 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.179 -77.136 54.515 1.00 0.00 H new ATOM 350 N TYR A 24 56.161 -73.361 52.863 1.00 0.00 N ATOM 351 CA TYR A 24 56.243 -73.222 51.414 1.00 0.00 C ATOM 352 C TYR A 24 57.195 -72.092 51.034 1.00 0.00 C ATOM 353 O TYR A 24 58.186 -72.310 50.338 1.00 0.00 O ATOM 354 CB TYR A 24 54.855 -72.938 50.837 1.00 0.00 C ATOM 355 CG TYR A 24 54.211 -74.235 50.409 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.013 -75.259 51.343 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.811 -74.413 49.079 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.416 -76.462 50.946 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.214 -75.615 48.683 1.00 0.00 C ATOM 360 CZ TYR A 24 53.017 -76.640 49.616 1.00 0.00 C ATOM 361 OH TYR A 24 52.428 -77.825 49.224 1.00 0.00 O ATOM 0 H TYR A 24 55.216 -73.303 53.243 1.00 0.00 H new ATOM 0 HA TYR A 24 56.625 -74.156 51.001 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.235 -72.441 51.583 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.935 -72.261 49.986 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.320 -75.121 52.369 1.00 0.00 H new ATOM 0 HD2 TYR A 24 53.963 -73.623 48.359 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.263 -77.252 51.666 1.00 0.00 H new ATOM 0 HE2 TYR A 24 52.905 -75.752 47.657 1.00 0.00 H new ATOM 0 HH TYR A 24 52.211 -77.782 48.269 1.00 0.00 H new ATOM 371 N ASP A 25 56.885 -70.884 51.495 1.00 0.00 N ATOM 372 CA ASP A 25 57.713 -69.723 51.188 1.00 0.00 C ATOM 373 C ASP A 25 59.172 -69.993 51.545 1.00 0.00 C ATOM 374 O ASP A 25 60.082 -69.603 50.812 1.00 0.00 O ATOM 375 CB ASP A 25 57.213 -68.505 51.967 1.00 0.00 C ATOM 376 CG ASP A 25 55.837 -68.090 51.458 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.451 -68.563 50.401 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.191 -67.305 52.130 1.00 0.00 O ATOM 0 H ASP A 25 56.072 -70.684 52.078 1.00 0.00 H new ATOM 0 HA ASP A 25 57.644 -69.525 50.118 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.161 -68.739 53.030 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.915 -67.679 51.856 1.00 0.00 H new ATOM 383 N CYS A 26 59.388 -70.661 52.673 1.00 0.00 N ATOM 384 CA CYS A 26 60.742 -70.971 53.119 1.00 0.00 C ATOM 385 C CYS A 26 61.510 -71.712 52.030 1.00 0.00 C ATOM 386 O CYS A 26 62.640 -71.351 51.699 1.00 0.00 O ATOM 387 CB CYS A 26 60.691 -71.830 54.384 1.00 0.00 C ATOM 388 SG CYS A 26 62.016 -71.325 55.508 1.00 0.00 S ATOM 0 H CYS A 26 58.649 -70.996 53.291 1.00 0.00 H new ATOM 0 HA CYS A 26 61.256 -70.034 53.336 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.723 -71.720 54.873 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.800 -72.883 54.126 1.00 0.00 H new ATOM 393 N LYS A 27 60.892 -72.750 51.477 1.00 0.00 N ATOM 394 CA LYS A 27 61.533 -73.542 50.432 1.00 0.00 C ATOM 395 C LYS A 27 61.776 -72.694 49.187 1.00 0.00 C ATOM 396 O LYS A 27 62.902 -72.604 48.697 1.00 0.00 O ATOM 397 CB LYS A 27 60.653 -74.740 50.073 1.00 0.00 C ATOM 398 CG LYS A 27 60.360 -75.556 51.332 1.00 0.00 C ATOM 399 CD LYS A 27 59.672 -76.866 50.946 1.00 0.00 C ATOM 400 CE LYS A 27 58.781 -77.335 52.097 1.00 0.00 C ATOM 401 NZ LYS A 27 57.432 -76.714 51.964 1.00 0.00 N ATOM 0 H LYS A 27 59.955 -73.062 51.732 1.00 0.00 H new ATOM 0 HA LYS A 27 62.493 -73.896 50.808 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.721 -74.398 49.624 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.154 -75.363 49.332 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.287 -75.764 51.867 1.00 0.00 H new ATOM 0 HG3 LYS A 27 59.724 -74.985 52.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.075 -76.723 50.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 60.418 -77.627 50.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.696 -78.422 52.086 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.228 -77.060 53.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.250 -76.101 52.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 57.395 -76.147 51.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 56.709 -77.460 51.923 1.00 0.00 H new ATOM 415 N LEU A 28 60.715 -72.075 48.681 1.00 0.00 N ATOM 416 CA LEU A 28 60.815 -71.282 47.462 1.00 0.00 C ATOM 417 C LEU A 28 61.904 -70.222 47.598 1.00 0.00 C ATOM 418 O LEU A 28 62.510 -69.810 46.608 1.00 0.00 O ATOM 419 CB LEU A 28 59.475 -70.604 47.167 1.00 0.00 C ATOM 420 CG LEU A 28 58.374 -71.663 47.094 1.00 0.00 C ATOM 421 CD1 LEU A 28 57.021 -70.980 46.892 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.650 -72.603 45.918 1.00 0.00 C ATOM 0 H LEU A 28 59.782 -72.106 49.093 1.00 0.00 H new ATOM 0 HA LEU A 28 61.074 -71.949 46.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.244 -69.877 47.945 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.531 -70.057 46.226 1.00 0.00 H new ATOM 0 HG LEU A 28 58.357 -72.234 48.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.236 -71.735 46.840 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.824 -70.309 47.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 57.037 -70.409 45.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.866 -73.359 45.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.666 -72.030 44.991 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.615 -73.090 46.060 1.00 0.00 H new ATOM 434 N ASP A 29 62.147 -69.783 48.828 1.00 0.00 N ATOM 435 CA ASP A 29 63.131 -68.736 49.074 1.00 0.00 C ATOM 436 C ASP A 29 64.501 -69.343 49.360 1.00 0.00 C ATOM 437 O ASP A 29 65.499 -68.961 48.750 1.00 0.00 O ATOM 438 CB ASP A 29 62.692 -67.876 50.261 1.00 0.00 C ATOM 439 CG ASP A 29 61.376 -67.178 49.941 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.153 -66.881 48.779 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.609 -66.951 50.862 1.00 0.00 O ATOM 0 H ASP A 29 61.680 -70.133 49.665 1.00 0.00 H new ATOM 0 HA ASP A 29 63.203 -68.114 48.182 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.577 -68.498 51.148 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.460 -67.136 50.488 1.00 0.00 H new ATOM 446 N LYS A 30 64.540 -70.289 50.292 1.00 0.00 N ATOM 447 CA LYS A 30 65.804 -70.884 50.711 1.00 0.00 C ATOM 448 C LYS A 30 65.899 -72.331 50.239 1.00 0.00 C ATOM 449 O LYS A 30 66.991 -72.890 50.138 1.00 0.00 O ATOM 450 CB LYS A 30 65.927 -70.832 52.235 1.00 0.00 C ATOM 451 CG LYS A 30 65.965 -69.373 52.695 1.00 0.00 C ATOM 452 CD LYS A 30 67.405 -68.860 52.648 1.00 0.00 C ATOM 453 CE LYS A 30 67.464 -67.448 53.235 1.00 0.00 C ATOM 454 NZ LYS A 30 68.883 -67.087 53.518 1.00 0.00 N ATOM 0 H LYS A 30 63.717 -70.658 50.769 1.00 0.00 H new ATOM 0 HA LYS A 30 66.618 -70.314 50.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.085 -71.348 52.696 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.832 -71.349 52.555 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.329 -68.762 52.054 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.571 -69.290 53.708 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.058 -69.527 53.211 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.766 -68.853 51.620 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.028 -66.734 52.537 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.875 -67.398 54.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 68.924 -66.127 53.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.284 -67.763 54.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.432 -67.119 52.635 1.00 0.00 H new ATOM 468 N HIS A 31 64.749 -72.932 49.953 1.00 0.00 N ATOM 469 CA HIS A 31 64.716 -74.315 49.491 1.00 0.00 C ATOM 470 C HIS A 31 65.041 -75.271 50.634 1.00 0.00 C ATOM 471 O HIS A 31 65.925 -76.120 50.512 1.00 0.00 O ATOM 472 CB HIS A 31 65.723 -74.511 48.356 1.00 0.00 C ATOM 473 CG HIS A 31 65.808 -73.251 47.538 1.00 0.00 C ATOM 474 ND1 HIS A 31 66.983 -72.525 47.420 1.00 0.00 N ATOM 475 CD2 HIS A 31 64.873 -72.577 46.792 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.727 -71.467 46.629 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.457 -71.450 46.219 1.00 0.00 N ATOM 0 H HIS A 31 63.834 -72.488 50.032 1.00 0.00 H new ATOM 0 HA HIS A 31 63.712 -74.532 49.127 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.703 -74.759 48.764 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.419 -75.347 47.726 1.00 0.00 H new ATOM 0 HD2 HIS A 31 63.842 -72.875 46.668 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.460 -70.722 46.359 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.010 -70.760 45.616 1.00 0.00 H new ATOM 485 N ALA A 32 64.323 -75.127 51.742 1.00 0.00 N ATOM 486 CA ALA A 32 64.534 -75.996 52.894 1.00 0.00 C ATOM 487 C ALA A 32 63.580 -77.186 52.847 1.00 0.00 C ATOM 488 O ALA A 32 62.901 -77.410 51.846 1.00 0.00 O ATOM 489 CB ALA A 32 64.311 -75.212 54.188 1.00 0.00 C ATOM 0 H ALA A 32 63.596 -74.423 51.867 1.00 0.00 H new ATOM 0 HA ALA A 32 65.560 -76.364 52.866 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.471 -75.869 55.043 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.012 -74.379 54.234 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.291 -74.829 54.210 1.00 0.00 H new ATOM 495 N ARG A 33 63.535 -77.946 53.937 1.00 0.00 N ATOM 496 CA ARG A 33 62.653 -79.104 54.011 1.00 0.00 C ATOM 497 C ARG A 33 61.231 -78.674 54.358 1.00 0.00 C ATOM 498 O ARG A 33 60.278 -79.031 53.664 1.00 0.00 O ATOM 499 CB ARG A 33 63.163 -80.083 55.071 1.00 0.00 C ATOM 500 CG ARG A 33 64.672 -80.276 54.903 1.00 0.00 C ATOM 501 CD ARG A 33 64.935 -81.378 53.875 1.00 0.00 C ATOM 502 NE ARG A 33 66.224 -81.167 53.227 1.00 0.00 N ATOM 503 CZ ARG A 33 67.361 -81.478 53.842 1.00 0.00 C ATOM 504 NH1 ARG A 33 67.335 -81.980 55.046 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.502 -81.280 53.241 1.00 0.00 N ATOM 0 H ARG A 33 64.094 -77.782 54.774 1.00 0.00 H new ATOM 0 HA ARG A 33 62.646 -79.593 53.037 1.00 0.00 H new ATOM 0 HB2 ARG A 33 62.943 -79.703 56.069 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.650 -81.040 54.974 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.135 -79.344 54.579 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.124 -80.541 55.859 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.921 -82.352 54.364 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.141 -81.385 53.128 1.00 0.00 H new ATOM 0 HE ARG A 33 66.254 -80.774 52.286 1.00 0.00 H new ATOM 0 HH11 ARG A 33 66.443 -82.134 55.515 1.00 0.00 H new ATOM 0 HH12 ARG A 33 68.207 -82.219 55.518 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.521 -80.887 52.300 1.00 0.00 H new ATOM 0 HH22 ARG A 33 69.375 -81.518 53.712 1.00 0.00 H new ATOM 519 N SER A 34 61.094 -77.907 55.433 1.00 0.00 N ATOM 520 CA SER A 34 59.785 -77.414 55.846 1.00 0.00 C ATOM 521 C SER A 34 59.801 -75.895 55.983 1.00 0.00 C ATOM 522 O SER A 34 59.312 -75.178 55.110 1.00 0.00 O ATOM 523 CB SER A 34 59.388 -78.044 57.182 1.00 0.00 C ATOM 524 OG SER A 34 59.060 -79.411 56.977 1.00 0.00 O ATOM 0 H SER A 34 61.867 -77.614 56.031 1.00 0.00 H new ATOM 0 HA SER A 34 59.057 -77.690 55.083 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.207 -77.958 57.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.537 -77.514 57.609 1.00 0.00 H new ATOM 0 HG SER A 34 58.962 -79.858 57.844 1.00 0.00 H new ATOM 530 N GLY A 35 60.365 -75.411 57.084 1.00 0.00 N ATOM 531 CA GLY A 35 60.476 -73.973 57.305 1.00 0.00 C ATOM 532 C GLY A 35 59.190 -73.414 57.904 1.00 0.00 C ATOM 533 O GLY A 35 58.627 -72.446 57.395 1.00 0.00 O ATOM 0 H GLY A 35 60.750 -75.987 57.832 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.313 -73.767 57.973 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.691 -73.471 56.361 1.00 0.00 H new ATOM 537 N GLU A 36 58.733 -74.031 58.989 1.00 0.00 N ATOM 538 CA GLU A 36 57.518 -73.579 59.658 1.00 0.00 C ATOM 539 C GLU A 36 57.771 -72.273 60.405 1.00 0.00 C ATOM 540 O GLU A 36 58.917 -71.900 60.652 1.00 0.00 O ATOM 541 CB GLU A 36 57.035 -74.647 60.641 1.00 0.00 C ATOM 542 CG GLU A 36 56.697 -75.930 59.877 1.00 0.00 C ATOM 543 CD GLU A 36 55.493 -75.694 58.970 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.802 -74.710 59.180 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.280 -76.501 58.081 1.00 0.00 O ATOM 0 H GLU A 36 59.181 -74.839 59.421 1.00 0.00 H new ATOM 0 HA GLU A 36 56.752 -73.408 58.902 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.806 -74.847 61.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.157 -74.290 61.180 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.554 -76.246 59.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.482 -76.735 60.579 1.00 0.00 H new ATOM 552 N CYS A 37 56.692 -71.584 60.762 1.00 0.00 N ATOM 553 CA CYS A 37 56.809 -70.307 61.459 1.00 0.00 C ATOM 554 C CYS A 37 56.902 -70.526 62.966 1.00 0.00 C ATOM 555 O CYS A 37 56.303 -71.455 63.505 1.00 0.00 O ATOM 556 CB CYS A 37 55.645 -69.344 61.148 1.00 0.00 C ATOM 557 SG CYS A 37 56.338 -67.747 60.652 1.00 0.00 S ATOM 0 H CYS A 37 55.734 -71.885 60.582 1.00 0.00 H new ATOM 0 HA CYS A 37 57.724 -69.841 61.094 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.020 -69.749 60.352 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.008 -69.225 62.024 1.00 0.00 H new ATOM 562 N PHE A 38 57.658 -69.663 63.638 1.00 0.00 N ATOM 563 CA PHE A 38 57.826 -69.776 65.082 1.00 0.00 C ATOM 564 C PHE A 38 57.592 -68.428 65.755 1.00 0.00 C ATOM 565 O PHE A 38 57.712 -67.378 65.125 1.00 0.00 O ATOM 566 CB PHE A 38 59.234 -70.275 65.407 1.00 0.00 C ATOM 567 CG PHE A 38 59.375 -71.712 64.966 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.447 -72.021 63.602 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.432 -72.734 65.919 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.577 -73.353 63.192 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.563 -74.067 65.509 1.00 0.00 C ATOM 572 CZ PHE A 38 59.635 -74.376 64.145 1.00 0.00 C ATOM 0 H PHE A 38 58.160 -68.885 63.210 1.00 0.00 H new ATOM 0 HA PHE A 38 57.093 -70.489 65.460 1.00 0.00 H new ATOM 0 HB2 PHE A 38 59.976 -69.655 64.904 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.422 -70.192 66.477 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.402 -71.232 62.866 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.375 -72.496 66.971 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.633 -73.591 62.140 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.608 -74.856 66.245 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.735 -75.404 63.829 1.00 0.00 H new ATOM 582 N TYR A 39 57.258 -68.464 67.042 1.00 0.00 N ATOM 583 CA TYR A 39 56.998 -67.240 67.789 1.00 0.00 C ATOM 584 C TYR A 39 58.262 -66.768 68.500 1.00 0.00 C ATOM 585 O TYR A 39 58.766 -67.437 69.401 1.00 0.00 O ATOM 586 CB TYR A 39 55.891 -67.480 68.817 1.00 0.00 C ATOM 587 CG TYR A 39 54.587 -67.741 68.102 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.454 -68.862 67.273 1.00 0.00 C ATOM 589 CD2 TYR A 39 53.510 -66.862 68.269 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.245 -69.103 66.610 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.300 -67.104 67.606 1.00 0.00 C ATOM 592 CZ TYR A 39 52.168 -68.225 66.777 1.00 0.00 C ATOM 593 OH TYR A 39 50.975 -68.463 66.124 1.00 0.00 O ATOM 0 H TYR A 39 57.162 -69.322 67.585 1.00 0.00 H new ATOM 0 HA TYR A 39 56.680 -66.469 67.087 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.147 -68.329 69.451 1.00 0.00 H new ATOM 0 HB3 TYR A 39 55.793 -66.613 69.470 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.284 -69.541 67.145 1.00 0.00 H new ATOM 0 HD2 TYR A 39 53.612 -65.998 68.909 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.143 -69.967 65.969 1.00 0.00 H new ATOM 0 HE2 TYR A 39 51.469 -66.426 67.734 1.00 0.00 H new ATOM 0 HH TYR A 39 50.332 -67.759 66.350 1.00 0.00 H new ATOM 603 N ASP A 40 58.769 -65.611 68.088 1.00 0.00 N ATOM 604 CA ASP A 40 59.971 -65.054 68.699 1.00 0.00 C ATOM 605 C ASP A 40 59.604 -64.066 69.802 1.00 0.00 C ATOM 606 O ASP A 40 58.477 -64.063 70.297 1.00 0.00 O ATOM 607 CB ASP A 40 60.816 -64.345 67.638 1.00 0.00 C ATOM 608 CG ASP A 40 61.372 -65.364 66.649 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.233 -66.548 66.907 1.00 0.00 O ATOM 610 OD2 ASP A 40 61.929 -64.944 65.647 1.00 0.00 O ATOM 0 H ASP A 40 58.370 -65.044 67.340 1.00 0.00 H new ATOM 0 HA ASP A 40 60.545 -65.871 69.135 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.210 -63.608 67.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.634 -63.804 68.114 1.00 0.00 H new ATOM 615 N GLU A 41 60.563 -63.229 70.184 1.00 0.00 N ATOM 616 CA GLU A 41 60.329 -62.240 71.229 1.00 0.00 C ATOM 617 C GLU A 41 59.396 -61.140 70.730 1.00 0.00 C ATOM 618 O GLU A 41 58.521 -60.676 71.459 1.00 0.00 O ATOM 619 CB GLU A 41 61.658 -61.621 71.671 1.00 0.00 C ATOM 620 CG GLU A 41 62.550 -62.707 72.275 1.00 0.00 C ATOM 621 CD GLU A 41 61.929 -63.235 73.563 1.00 0.00 C ATOM 622 OE1 GLU A 41 61.066 -62.560 74.102 1.00 0.00 O ATOM 623 OE2 GLU A 41 62.326 -64.306 73.994 1.00 0.00 O ATOM 0 H GLU A 41 61.503 -63.216 69.789 1.00 0.00 H new ATOM 0 HA GLU A 41 59.861 -62.741 72.076 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.157 -61.158 70.820 1.00 0.00 H new ATOM 0 HB3 GLU A 41 61.479 -60.833 72.403 1.00 0.00 H new ATOM 0 HG2 GLU A 41 62.678 -63.522 71.563 1.00 0.00 H new ATOM 0 HG3 GLU A 41 63.542 -62.303 72.479 1.00 0.00 H new ATOM 630 N LYS A 42 59.590 -60.730 69.481 1.00 0.00 N ATOM 631 CA LYS A 42 58.755 -59.689 68.891 1.00 0.00 C ATOM 632 C LYS A 42 57.348 -60.215 68.629 1.00 0.00 C ATOM 633 O LYS A 42 56.500 -59.505 68.089 1.00 0.00 O ATOM 634 CB LYS A 42 59.374 -59.206 67.578 1.00 0.00 C ATOM 635 CG LYS A 42 60.769 -58.640 67.848 1.00 0.00 C ATOM 636 CD LYS A 42 61.279 -57.920 66.598 1.00 0.00 C ATOM 637 CE LYS A 42 61.424 -58.925 65.454 1.00 0.00 C ATOM 638 NZ LYS A 42 62.344 -58.371 64.420 1.00 0.00 N ATOM 0 H LYS A 42 60.312 -61.099 68.862 1.00 0.00 H new ATOM 0 HA LYS A 42 58.694 -58.857 69.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.436 -60.031 66.868 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.742 -58.442 67.125 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.736 -57.949 68.690 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.452 -59.444 68.122 1.00 0.00 H new ATOM 0 HD2 LYS A 42 60.587 -57.127 66.314 1.00 0.00 H new ATOM 0 HD3 LYS A 42 62.239 -57.447 66.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 61.813 -59.870 65.833 1.00 0.00 H new ATOM 0 HE3 LYS A 42 60.449 -59.135 65.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 62.443 -59.054 63.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 61.955 -57.480 64.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.276 -58.193 64.845 1.00 0.00 H new ATOM 652 N ARG A 43 57.106 -61.463 69.017 1.00 0.00 N ATOM 653 CA ARG A 43 55.796 -62.074 68.819 1.00 0.00 C ATOM 654 C ARG A 43 55.418 -62.064 67.341 1.00 0.00 C ATOM 655 O ARG A 43 54.238 -62.026 66.992 1.00 0.00 O ATOM 656 CB ARG A 43 54.739 -61.313 69.623 1.00 0.00 C ATOM 657 CG ARG A 43 55.299 -60.966 71.003 1.00 0.00 C ATOM 658 CD ARG A 43 55.813 -62.238 71.680 1.00 0.00 C ATOM 659 NE ARG A 43 54.959 -63.370 71.343 1.00 0.00 N ATOM 660 CZ ARG A 43 54.826 -64.401 72.172 1.00 0.00 C ATOM 661 NH1 ARG A 43 55.466 -64.411 73.309 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.055 -65.404 71.848 1.00 0.00 N ATOM 0 H ARG A 43 57.794 -62.067 69.467 1.00 0.00 H new ATOM 0 HA ARG A 43 55.841 -63.107 69.164 1.00 0.00 H new ATOM 0 HB2 ARG A 43 54.452 -60.403 69.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 53.839 -61.919 69.726 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.107 -60.240 70.907 1.00 0.00 H new ATOM 0 HG3 ARG A 43 54.525 -60.503 71.615 1.00 0.00 H new ATOM 0 HD2 ARG A 43 56.836 -62.439 71.363 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.835 -62.099 72.761 1.00 0.00 H new ATOM 0 HE ARG A 43 54.455 -63.371 70.456 1.00 0.00 H new ATOM 0 HH11 ARG A 43 56.068 -63.628 73.562 1.00 0.00 H new ATOM 0 HH12 ARG A 43 55.364 -65.202 73.945 1.00 0.00 H new ATOM 0 HH21 ARG A 43 53.555 -65.396 70.959 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.953 -66.195 72.484 1.00 0.00 H new ATOM 676 N ASN A 44 56.427 -62.099 66.477 1.00 0.00 N ATOM 677 CA ASN A 44 56.189 -62.099 65.038 1.00 0.00 C ATOM 678 C ASN A 44 56.549 -63.452 64.436 1.00 0.00 C ATOM 679 O ASN A 44 57.716 -63.848 64.424 1.00 0.00 O ATOM 680 CB ASN A 44 57.021 -61.003 64.371 1.00 0.00 C ATOM 681 CG ASN A 44 58.494 -61.396 64.366 1.00 0.00 C ATOM 682 OD1 ASN A 44 58.998 -61.932 65.352 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.218 -61.162 63.305 1.00 0.00 N ATOM 0 H ASN A 44 57.411 -62.128 66.745 1.00 0.00 H new ATOM 0 HA ASN A 44 55.130 -61.907 64.864 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.675 -60.843 63.350 1.00 0.00 H new ATOM 0 HB3 ASN A 44 56.889 -60.061 64.903 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.204 -61.424 63.292 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.798 -60.718 62.489 1.00 0.00 H new ATOM 690 N LEU A 45 55.541 -64.159 63.935 1.00 0.00 N ATOM 691 CA LEU A 45 55.765 -65.466 63.327 1.00 0.00 C ATOM 692 C LEU A 45 56.949 -65.414 62.366 1.00 0.00 C ATOM 693 O LEU A 45 56.945 -64.647 61.403 1.00 0.00 O ATOM 694 CB LEU A 45 54.512 -65.913 62.573 1.00 0.00 C ATOM 695 CG LEU A 45 53.269 -65.559 63.391 1.00 0.00 C ATOM 696 CD1 LEU A 45 52.014 -65.971 62.619 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.312 -66.303 64.727 1.00 0.00 C ATOM 0 H LEU A 45 54.568 -63.852 63.938 1.00 0.00 H new ATOM 0 HA LEU A 45 55.986 -66.181 64.119 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.469 -65.427 61.598 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.547 -66.987 62.393 1.00 0.00 H new ATOM 0 HG LEU A 45 53.247 -64.484 63.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.129 -65.718 63.202 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.983 -65.443 61.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 52.035 -67.046 62.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.427 -66.052 65.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.334 -67.377 64.545 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.206 -66.010 65.278 1.00 0.00 H new ATOM 709 N GLN A 46 57.959 -66.235 62.634 1.00 0.00 N ATOM 710 CA GLN A 46 59.141 -66.278 61.782 1.00 0.00 C ATOM 711 C GLN A 46 59.361 -67.687 61.240 1.00 0.00 C ATOM 712 O GLN A 46 59.293 -68.666 61.984 1.00 0.00 O ATOM 713 CB GLN A 46 60.373 -65.837 62.575 1.00 0.00 C ATOM 714 CG GLN A 46 60.139 -64.435 63.142 1.00 0.00 C ATOM 715 CD GLN A 46 61.418 -63.610 63.039 1.00 0.00 C ATOM 716 OE1 GLN A 46 62.459 -64.011 63.560 1.00 0.00 O ATOM 717 NE2 GLN A 46 61.401 -62.476 62.395 1.00 0.00 N ATOM 0 H GLN A 46 57.983 -66.875 63.428 1.00 0.00 H new ATOM 0 HA GLN A 46 58.986 -65.599 60.944 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.569 -66.540 63.384 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.253 -65.839 61.932 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.334 -63.943 62.596 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.823 -64.503 64.183 1.00 0.00 H new ATOM 0 HE21 GLN A 46 60.537 -62.147 61.965 1.00 0.00 H new ATOM 0 HE22 GLN A 46 62.252 -61.918 62.322 1.00 0.00 H new ATOM 726 N CYS A 47 59.623 -67.783 59.941 1.00 0.00 N ATOM 727 CA CYS A 47 59.848 -69.077 59.310 1.00 0.00 C ATOM 728 C CYS A 47 61.268 -69.566 59.578 1.00 0.00 C ATOM 729 O CYS A 47 62.240 -68.871 59.282 1.00 0.00 O ATOM 730 CB CYS A 47 59.619 -68.981 57.802 1.00 0.00 C ATOM 731 SG CYS A 47 57.850 -68.805 57.456 1.00 0.00 S ATOM 0 H CYS A 47 59.684 -66.985 59.308 1.00 0.00 H new ATOM 0 HA CYS A 47 59.141 -69.788 59.737 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.164 -68.129 57.396 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.008 -69.872 57.309 1.00 0.00 H new ATOM 736 N ILE A 48 61.380 -70.766 60.139 1.00 0.00 N ATOM 737 CA ILE A 48 62.687 -71.341 60.435 1.00 0.00 C ATOM 738 C ILE A 48 63.018 -72.455 59.448 1.00 0.00 C ATOM 739 O ILE A 48 62.691 -73.620 59.678 1.00 0.00 O ATOM 740 CB ILE A 48 62.703 -71.899 61.859 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.488 -70.757 62.855 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.053 -72.565 62.132 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.500 -71.313 64.280 1.00 0.00 C ATOM 0 H ILE A 48 60.588 -71.355 60.396 1.00 0.00 H new ATOM 0 HA ILE A 48 63.437 -70.555 60.345 1.00 0.00 H new ATOM 0 HB ILE A 48 61.906 -72.635 61.970 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.271 -70.007 62.739 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.539 -70.260 62.655 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.064 -72.962 63.147 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.208 -73.378 61.422 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.850 -71.830 62.022 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.347 -70.500 64.989 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.701 -72.046 64.391 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.460 -71.790 64.476 1.00 0.00 H new ATOM 755 N CYS A 49 63.668 -72.091 58.347 1.00 0.00 N ATOM 756 CA CYS A 49 64.038 -73.068 57.330 1.00 0.00 C ATOM 757 C CYS A 49 64.961 -74.130 57.920 1.00 0.00 C ATOM 758 O CYS A 49 66.077 -73.831 58.343 1.00 0.00 O ATOM 759 CB CYS A 49 64.769 -72.386 56.174 1.00 0.00 C ATOM 760 SG CYS A 49 63.671 -72.199 54.748 1.00 0.00 S ATOM 0 H CYS A 49 63.948 -71.133 58.137 1.00 0.00 H new ATOM 0 HA CYS A 49 63.121 -73.533 56.968 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.131 -71.408 56.492 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.643 -72.973 55.892 1.00 0.00 H new ATOM 765 N ASP A 50 64.487 -75.372 57.944 1.00 0.00 N ATOM 766 CA ASP A 50 65.286 -76.472 58.471 1.00 0.00 C ATOM 767 C ASP A 50 65.847 -77.319 57.334 1.00 0.00 C ATOM 768 O ASP A 50 65.119 -77.712 56.421 1.00 0.00 O ATOM 769 CB ASP A 50 64.428 -77.348 59.387 1.00 0.00 C ATOM 770 CG ASP A 50 63.349 -78.054 58.574 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.631 -78.419 57.444 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.257 -78.219 59.092 1.00 0.00 O ATOM 0 H ASP A 50 63.562 -75.640 57.608 1.00 0.00 H new ATOM 0 HA ASP A 50 66.116 -76.054 59.041 1.00 0.00 H new ATOM 0 HB2 ASP A 50 65.055 -78.084 59.891 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.968 -76.736 60.163 1.00 0.00 H new ATOM 777 N TYR A 51 67.145 -77.597 57.394 1.00 0.00 N ATOM 778 CA TYR A 51 67.788 -78.422 56.378 1.00 0.00 C ATOM 779 C TYR A 51 68.182 -79.778 56.957 1.00 0.00 C ATOM 780 O TYR A 51 69.364 -80.114 57.025 1.00 0.00 O ATOM 781 CB TYR A 51 69.032 -77.714 55.840 1.00 0.00 C ATOM 782 CG TYR A 51 68.615 -76.604 54.905 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.275 -75.347 55.418 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.568 -76.833 53.524 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.888 -74.318 54.551 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.181 -75.804 52.658 1.00 0.00 C ATOM 787 CZ TYR A 51 67.841 -74.546 53.170 1.00 0.00 C ATOM 788 OH TYR A 51 67.460 -73.533 52.316 1.00 0.00 O ATOM 0 H TYR A 51 67.769 -77.266 58.130 1.00 0.00 H new ATOM 0 HA TYR A 51 67.080 -78.580 55.565 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.618 -77.308 56.665 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.670 -78.425 55.315 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.311 -75.171 56.483 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.830 -77.803 53.128 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.626 -73.348 54.947 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.145 -75.981 51.593 1.00 0.00 H new ATOM 0 HH TYR A 51 67.467 -73.863 51.393 1.00 0.00 H new ATOM 798 N CYS A 52 67.185 -80.551 57.375 1.00 0.00 N ATOM 799 CA CYS A 52 67.441 -81.866 57.951 1.00 0.00 C ATOM 800 C CYS A 52 66.141 -82.650 58.097 1.00 0.00 C ATOM 801 O CYS A 52 65.088 -82.218 57.627 1.00 0.00 O ATOM 802 CB CYS A 52 68.105 -81.715 59.321 1.00 0.00 C ATOM 803 SG CYS A 52 69.892 -81.523 59.109 1.00 0.00 S ATOM 0 H CYS A 52 66.200 -80.292 57.326 1.00 0.00 H new ATOM 0 HA CYS A 52 68.107 -82.411 57.282 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.695 -80.850 59.842 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.893 -82.588 59.938 1.00 0.00 H new ATOM 808 N GLU A 53 66.222 -83.804 58.750 1.00 0.00 N ATOM 809 CA GLU A 53 65.045 -84.641 58.954 1.00 0.00 C ATOM 810 C GLU A 53 64.469 -84.425 60.350 1.00 0.00 C ATOM 811 O GLU A 53 64.695 -85.228 61.255 1.00 0.00 O ATOM 812 CB GLU A 53 65.413 -86.114 58.773 1.00 0.00 C ATOM 813 CG GLU A 53 65.878 -86.353 57.335 1.00 0.00 C ATOM 814 CD GLU A 53 67.283 -85.793 57.142 1.00 0.00 C ATOM 815 OE1 GLU A 53 67.954 -85.575 58.136 1.00 0.00 O ATOM 816 OE2 GLU A 53 67.667 -85.593 56.001 1.00 0.00 O ATOM 0 H GLU A 53 67.084 -84.180 59.145 1.00 0.00 H new ATOM 0 HA GLU A 53 64.292 -84.363 58.216 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.202 -86.391 59.472 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.553 -86.745 58.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 65.869 -87.420 57.114 1.00 0.00 H new ATOM 0 HG3 GLU A 53 65.189 -85.877 56.637 1.00 0.00 H new ATOM 823 N TYR A 54 63.725 -83.337 60.516 1.00 0.00 N ATOM 824 CA TYR A 54 63.115 -83.030 61.804 1.00 0.00 C ATOM 825 C TYR A 54 64.095 -83.305 62.941 1.00 0.00 C ATOM 826 CB TYR A 54 61.855 -83.876 62.000 1.00 0.00 C ATOM 827 CG TYR A 54 60.787 -83.419 61.034 1.00 0.00 C ATOM 828 CD1 TYR A 54 60.699 -84.000 59.763 1.00 0.00 C ATOM 829 CD2 TYR A 54 59.887 -82.415 61.409 1.00 0.00 C ATOM 830 CE1 TYR A 54 59.709 -83.577 58.867 1.00 0.00 C ATOM 831 CE2 TYR A 54 58.897 -81.992 60.513 1.00 0.00 C ATOM 832 CZ TYR A 54 58.808 -82.573 59.243 1.00 0.00 C ATOM 833 OH TYR A 54 57.833 -82.156 58.360 1.00 0.00 O ATOM 0 H TYR A 54 63.531 -82.657 59.781 1.00 0.00 H new ATOM 0 HA TYR A 54 62.849 -81.973 61.816 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.082 -84.929 61.836 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.497 -83.783 63.025 1.00 0.00 H new ATOM 0 HD1 TYR A 54 61.394 -84.774 59.474 1.00 0.00 H new ATOM 0 HD2 TYR A 54 59.956 -81.966 62.389 1.00 0.00 H new ATOM 0 HE1 TYR A 54 59.641 -84.025 57.887 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.202 -81.217 60.802 1.00 0.00 H new ATOM 0 HH TYR A 54 57.292 -81.454 58.778 1.00 0.00 H new TER 843 TYR A 54