USER MOD reduce.3.24.130724 H: found=0, std=0, add=326, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 324 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 33 THR OG1 : rot 180:sc= 0.0611 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 139:sc= 0.0575 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 172:sc= 2.69 (180deg=2.21) USER MOD Set 2.2: A 43 TYR OH : rot 160:sc= 1.81 USER MOD Set 3.1: A 3 ASN : amide:sc= -0.119 K(o=0.1,f=-2.8!) USER MOD Set 3.2: A 4 GLN : amide:sc= 0.221 K(o=0.1,f=-2.8) USER MOD Single : A 1 ALA N :NH3+ -162:sc= 0.76 (180deg=0.585) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.87 K(o=0.87,f=-5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.075) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 2.2 (180deg=2.16) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.044) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 28.535 24.085 34.339 1.00 0.00 N ATOM 2 CA ALA A 1 27.357 23.193 34.244 1.00 0.00 C ATOM 3 C ALA A 1 26.844 22.820 35.642 1.00 0.00 C ATOM 4 O ALA A 1 27.655 22.687 36.557 1.00 0.00 O ATOM 5 CB ALA A 1 27.672 21.940 33.413 1.00 0.00 C ATOM 0 H1 ALA A 1 28.681 24.566 33.428 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.375 24.794 35.083 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.378 23.523 34.573 1.00 0.00 H new ATOM 0 HA ALA A 1 26.565 23.735 33.728 1.00 0.00 H new ATOM 0 HB1 ALA A 1 26.787 21.305 33.362 1.00 0.00 H new ATOM 0 HB2 ALA A 1 27.965 22.236 32.406 1.00 0.00 H new ATOM 0 HB3 ALA A 1 28.488 21.389 33.881 1.00 0.00 H new ATOM 13 N LYS A 2 25.518 22.669 35.840 1.00 0.00 N ATOM 14 CA LYS A 2 24.904 22.353 37.141 1.00 0.00 C ATOM 15 C LYS A 2 23.739 21.358 36.994 1.00 0.00 C ATOM 16 O LYS A 2 23.713 20.584 36.038 1.00 0.00 O ATOM 17 CB LYS A 2 24.564 23.675 37.868 1.00 0.00 C ATOM 18 CG LYS A 2 23.691 24.670 37.076 1.00 0.00 C ATOM 19 CD LYS A 2 23.347 25.913 37.914 1.00 0.00 C ATOM 20 CE LYS A 2 24.581 26.758 38.271 1.00 0.00 C ATOM 21 NZ LYS A 2 24.266 27.789 39.287 1.00 0.00 N1+ ATOM 0 H LYS A 2 24.836 22.765 35.088 1.00 0.00 H new ATOM 0 HA LYS A 2 25.608 21.821 37.781 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.053 23.434 38.800 1.00 0.00 H new ATOM 0 HB3 LYS A 2 25.497 24.171 38.135 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.216 24.975 36.171 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.771 24.177 36.761 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.638 26.531 37.363 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.850 25.599 38.832 1.00 0.00 H new ATOM 0 HE2 LYS A 2 25.371 26.107 38.646 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.965 27.239 37.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.123 28.338 39.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.530 28.425 38.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.924 27.328 40.154 1.00 0.00 H new ATOM 35 N ASN A 3 22.730 21.440 37.856 1.00 0.00 N ATOM 36 CA ASN A 3 21.508 20.621 37.896 1.00 0.00 C ATOM 37 C ASN A 3 20.816 20.528 36.531 1.00 0.00 C ATOM 38 O ASN A 3 20.373 19.462 36.111 1.00 0.00 O ATOM 39 CB ASN A 3 20.538 21.252 38.920 1.00 0.00 C ATOM 40 CG ASN A 3 20.142 22.689 38.610 1.00 0.00 C ATOM 41 OD1 ASN A 3 20.983 23.569 38.505 1.00 0.00 O ATOM 42 ND2 ASN A 3 18.891 23.001 38.386 1.00 0.00 N ATOM 0 H ASN A 3 22.740 22.132 38.605 1.00 0.00 H new ATOM 0 HA ASN A 3 21.787 19.607 38.182 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.636 20.642 38.971 1.00 0.00 H new ATOM 0 HB3 ASN A 3 21.000 21.220 39.907 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.641 23.957 38.132 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.166 22.288 38.466 1.00 0.00 H new ATOM 49 N GLN A 4 20.800 21.655 35.821 1.00 0.00 N ATOM 50 CA GLN A 4 20.192 21.816 34.504 1.00 0.00 C ATOM 51 C GLN A 4 21.251 22.005 33.418 1.00 0.00 C ATOM 52 O GLN A 4 21.001 22.599 32.377 1.00 0.00 O ATOM 53 CB GLN A 4 19.144 22.913 34.572 1.00 0.00 C ATOM 54 CG GLN A 4 19.676 24.312 34.912 1.00 0.00 C ATOM 55 CD GLN A 4 18.497 25.109 35.403 1.00 0.00 C ATOM 56 OE1 GLN A 4 18.332 25.388 36.587 1.00 0.00 O ATOM 57 NE2 GLN A 4 17.587 25.362 34.503 1.00 0.00 N ATOM 0 H GLN A 4 21.228 22.515 36.163 1.00 0.00 H new ATOM 0 HA GLN A 4 19.672 20.904 34.211 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.631 22.962 33.612 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.399 22.635 35.318 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.452 24.257 35.675 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.123 24.781 34.035 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.754 25.118 33.527 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.709 25.804 34.776 1.00 0.00 H new ATOM 66 N PHE A 5 22.491 21.597 33.713 1.00 0.00 N ATOM 67 CA PHE A 5 23.680 21.791 32.868 1.00 0.00 C ATOM 68 C PHE A 5 24.042 23.260 32.596 1.00 0.00 C ATOM 69 O PHE A 5 25.069 23.528 31.987 1.00 0.00 O ATOM 70 CB PHE A 5 23.557 20.976 31.570 1.00 0.00 C ATOM 71 CG PHE A 5 23.499 19.479 31.785 1.00 0.00 C ATOM 72 CD1 PHE A 5 24.664 18.718 31.597 1.00 0.00 C ATOM 73 CD2 PHE A 5 22.308 18.848 32.199 1.00 0.00 C ATOM 74 CE1 PHE A 5 24.645 17.337 31.844 1.00 0.00 C ATOM 75 CE2 PHE A 5 22.300 17.469 32.472 1.00 0.00 C ATOM 76 CZ PHE A 5 23.475 16.717 32.301 1.00 0.00 C ATOM 0 H PHE A 5 22.704 21.103 34.580 1.00 0.00 H new ATOM 0 HA PHE A 5 24.523 21.411 33.445 1.00 0.00 H new ATOM 0 HB2 PHE A 5 22.659 21.291 31.039 1.00 0.00 H new ATOM 0 HB3 PHE A 5 24.406 21.207 30.926 1.00 0.00 H new ATOM 0 HD1 PHE A 5 25.573 19.195 31.263 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.401 19.425 32.306 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.536 16.749 31.681 1.00 0.00 H new ATOM 0 HE2 PHE A 5 21.394 16.989 32.812 1.00 0.00 H new ATOM 0 HZ PHE A 5 23.476 15.660 32.522 1.00 0.00 H new ATOM 86 N GLY A 6 23.241 24.204 33.098 1.00 0.00 N ATOM 87 CA GLY A 6 23.290 25.623 32.762 1.00 0.00 C ATOM 88 C GLY A 6 22.289 26.038 31.672 1.00 0.00 C ATOM 89 O GLY A 6 22.057 27.225 31.457 1.00 0.00 O ATOM 0 H GLY A 6 22.512 23.988 33.777 1.00 0.00 H new ATOM 0 HA2 GLY A 6 23.096 26.207 33.662 1.00 0.00 H new ATOM 0 HA3 GLY A 6 24.298 25.874 32.431 1.00 0.00 H new ATOM 93 N CYS A 7 21.635 25.074 31.029 1.00 0.00 N ATOM 94 CA CYS A 7 20.730 25.315 29.917 1.00 0.00 C ATOM 95 C CYS A 7 19.281 25.556 30.351 1.00 0.00 C ATOM 96 O CYS A 7 18.755 24.909 31.263 1.00 0.00 O ATOM 97 CB CYS A 7 20.791 24.127 28.952 1.00 0.00 C ATOM 98 SG CYS A 7 22.404 23.848 28.187 1.00 0.00 S ATOM 0 H CYS A 7 21.723 24.088 31.273 1.00 0.00 H new ATOM 0 HA CYS A 7 21.062 26.231 29.428 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.500 23.225 29.491 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.053 24.280 28.164 1.00 0.00 H new ATOM 103 N PHE A 8 18.628 26.485 29.657 1.00 0.00 N ATOM 104 CA PHE A 8 17.174 26.667 29.690 1.00 0.00 C ATOM 105 C PHE A 8 16.698 27.323 28.383 1.00 0.00 C ATOM 106 O PHE A 8 17.361 28.228 27.878 1.00 0.00 O ATOM 107 CB PHE A 8 16.759 27.476 30.929 1.00 0.00 C ATOM 108 CG PHE A 8 15.262 27.551 31.106 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.531 28.598 30.515 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.596 26.538 31.816 1.00 0.00 C ATOM 111 CE1 PHE A 8 13.127 28.610 30.608 1.00 0.00 C ATOM 112 CE2 PHE A 8 13.196 26.542 31.894 1.00 0.00 C ATOM 113 CZ PHE A 8 12.461 27.571 31.282 1.00 0.00 C ATOM 0 H PHE A 8 19.102 27.147 29.043 1.00 0.00 H new ATOM 0 HA PHE A 8 16.690 25.694 29.768 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.203 27.025 31.817 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.162 28.486 30.849 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.046 29.390 29.992 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.162 25.757 32.301 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.562 29.416 30.163 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.683 25.754 32.425 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.382 27.564 31.329 1.00 0.00 H new ATOM 123 N ALA A 9 15.559 26.891 27.825 1.00 0.00 N ATOM 124 CA ALA A 9 14.948 27.462 26.615 1.00 0.00 C ATOM 125 C ALA A 9 15.914 27.581 25.413 1.00 0.00 C ATOM 126 O ALA A 9 15.967 28.613 24.743 1.00 0.00 O ATOM 127 CB ALA A 9 14.235 28.773 26.981 1.00 0.00 C ATOM 0 H ALA A 9 15.022 26.115 28.212 1.00 0.00 H new ATOM 0 HA ALA A 9 14.201 26.759 26.247 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.780 29.201 26.088 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.461 28.572 27.722 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.958 29.477 27.393 1.00 0.00 H new ATOM 133 N ASN A 10 16.697 26.521 25.162 1.00 0.00 N ATOM 134 CA ASN A 10 17.768 26.449 24.152 1.00 0.00 C ATOM 135 C ASN A 10 18.925 27.463 24.330 1.00 0.00 C ATOM 136 O ASN A 10 19.703 27.673 23.397 1.00 0.00 O ATOM 137 CB ASN A 10 17.155 26.454 22.733 1.00 0.00 C ATOM 138 CG ASN A 10 16.274 25.294 22.421 1.00 0.00 C ATOM 139 OD1 ASN A 10 16.282 24.235 23.029 1.00 0.00 O ATOM 140 ND2 ASN A 10 15.522 25.445 21.377 1.00 0.00 N ATOM 0 H ASN A 10 16.597 25.649 25.681 1.00 0.00 H new ATOM 0 HA ASN A 10 18.275 25.497 24.311 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.580 27.371 22.606 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.965 26.481 22.004 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.932 24.677 21.058 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.520 26.332 20.874 1.00 0.00 H new ATOM 147 N VAL A 11 19.087 28.073 25.512 1.00 0.00 N ATOM 148 CA VAL A 11 20.118 29.091 25.803 1.00 0.00 C ATOM 149 C VAL A 11 20.949 28.726 27.041 1.00 0.00 C ATOM 150 O VAL A 11 20.464 28.127 27.999 1.00 0.00 O ATOM 151 CB VAL A 11 19.489 30.500 25.923 1.00 0.00 C ATOM 152 CG1 VAL A 11 20.536 31.609 26.117 1.00 0.00 C ATOM 153 CG2 VAL A 11 18.735 30.887 24.641 1.00 0.00 C ATOM 0 H VAL A 11 18.492 27.870 26.315 1.00 0.00 H new ATOM 0 HA VAL A 11 20.809 29.111 24.960 1.00 0.00 H new ATOM 0 HB VAL A 11 18.831 30.431 26.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.034 32.574 26.195 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.102 31.420 27.029 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.215 31.621 25.265 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.305 31.882 24.758 1.00 0.00 H new ATOM 0 HG22 VAL A 11 19.426 30.887 23.798 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.938 30.167 24.456 1.00 0.00 H new ATOM 163 N ASP A 12 22.217 29.130 27.023 1.00 0.00 N ATOM 164 CA ASP A 12 23.247 28.977 28.065 1.00 0.00 C ATOM 165 C ASP A 12 23.040 29.979 29.240 1.00 0.00 C ATOM 166 O ASP A 12 23.973 30.628 29.718 1.00 0.00 O ATOM 167 CB ASP A 12 24.580 29.131 27.296 1.00 0.00 C ATOM 168 CG ASP A 12 25.867 28.632 27.955 1.00 0.00 C ATOM 169 OD1 ASP A 12 26.704 29.478 28.360 1.00 0.00 O ATOM 170 OD2 ASP A 12 26.152 27.413 27.872 1.00 0.00 O1- ATOM 0 H ASP A 12 22.590 29.617 26.208 1.00 0.00 H new ATOM 0 HA ASP A 12 23.213 28.015 28.577 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.474 28.613 26.343 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.712 30.189 27.071 1.00 0.00 H new ATOM 175 N VAL A 13 21.777 30.194 29.650 1.00 0.00 N ATOM 176 CA VAL A 13 21.332 31.247 30.597 1.00 0.00 C ATOM 177 C VAL A 13 21.686 30.946 32.058 1.00 0.00 C ATOM 178 O VAL A 13 22.321 31.753 32.743 1.00 0.00 O ATOM 179 CB VAL A 13 19.806 31.519 30.522 1.00 0.00 C ATOM 180 CG1 VAL A 13 19.435 32.602 29.511 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.965 30.285 30.180 1.00 0.00 C ATOM 0 H VAL A 13 21.002 29.618 29.320 1.00 0.00 H new ATOM 0 HA VAL A 13 21.880 32.132 30.274 1.00 0.00 H new ATOM 0 HB VAL A 13 19.574 31.848 31.535 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.354 32.743 29.509 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.922 33.538 29.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.764 32.300 28.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.911 30.561 30.147 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.269 29.896 29.208 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.116 29.519 30.941 1.00 0.00 H new ATOM 191 N LYS A 14 21.271 29.773 32.548 1.00 0.00 N ATOM 192 CA LYS A 14 21.364 29.364 33.961 1.00 0.00 C ATOM 193 C LYS A 14 22.773 28.900 34.347 1.00 0.00 C ATOM 194 O LYS A 14 23.045 28.662 35.521 1.00 0.00 O ATOM 195 CB LYS A 14 20.287 28.301 34.265 1.00 0.00 C ATOM 196 CG LYS A 14 18.841 28.816 34.119 1.00 0.00 C ATOM 197 CD LYS A 14 18.471 29.853 35.187 1.00 0.00 C ATOM 198 CE LYS A 14 17.007 30.280 35.067 1.00 0.00 C ATOM 199 NZ LYS A 14 16.631 31.147 36.204 1.00 0.00 N1+ ATOM 0 H LYS A 14 20.848 29.057 31.957 1.00 0.00 H new ATOM 0 HA LYS A 14 21.170 30.237 34.584 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.429 27.452 33.596 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.430 27.933 35.281 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.715 29.258 33.131 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.152 27.974 34.182 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.650 29.436 36.178 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.116 30.726 35.087 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.852 30.812 34.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.365 29.400 35.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.635 31.430 36.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.761 30.627 37.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.233 31.995 36.208 1.00 0.00 H new ATOM 213 N GLY A 15 23.670 28.774 33.373 1.00 0.00 N ATOM 214 CA GLY A 15 25.085 28.444 33.548 1.00 0.00 C ATOM 215 C GLY A 15 25.711 27.955 32.243 1.00 0.00 C ATOM 216 O GLY A 15 25.071 27.992 31.193 1.00 0.00 O ATOM 0 H GLY A 15 23.420 28.905 32.393 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.623 29.322 33.904 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.188 27.675 34.313 1.00 0.00 H new ATOM 220 N ASP A 16 26.941 27.452 32.310 1.00 0.00 N ATOM 221 CA ASP A 16 27.696 27.021 31.133 1.00 0.00 C ATOM 222 C ASP A 16 27.597 25.511 30.836 1.00 0.00 C ATOM 223 O ASP A 16 28.034 24.667 31.623 1.00 0.00 O ATOM 224 CB ASP A 16 29.152 27.472 31.265 1.00 0.00 C ATOM 225 CG ASP A 16 29.925 26.709 32.335 1.00 0.00 C ATOM 226 OD1 ASP A 16 29.564 26.753 33.536 1.00 0.00 O ATOM 227 OD2 ASP A 16 30.924 26.049 31.971 1.00 0.00 O1- ATOM 0 H ASP A 16 27.447 27.331 33.188 1.00 0.00 H new ATOM 0 HA ASP A 16 27.237 27.503 30.270 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.653 27.345 30.305 1.00 0.00 H new ATOM 0 HB3 ASP A 16 29.176 28.536 31.499 1.00 0.00 H new ATOM 232 N CYS A 17 27.104 25.172 29.646 1.00 0.00 N ATOM 233 CA CYS A 17 27.105 23.807 29.098 1.00 0.00 C ATOM 234 C CYS A 17 28.483 23.389 28.550 1.00 0.00 C ATOM 235 O CYS A 17 28.796 22.193 28.538 1.00 0.00 O ATOM 236 CB CYS A 17 25.950 23.765 28.083 1.00 0.00 C ATOM 237 SG CYS A 17 25.892 22.519 26.764 1.00 0.00 S ATOM 0 H CYS A 17 26.681 25.853 29.016 1.00 0.00 H new ATOM 0 HA CYS A 17 26.934 23.054 29.867 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.028 23.663 28.656 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.918 24.741 27.599 1.00 0.00 H new ATOM 242 N LYS A 18 29.368 24.353 28.239 1.00 0.00 N ATOM 243 CA LYS A 18 30.776 24.135 27.856 1.00 0.00 C ATOM 244 C LYS A 18 31.443 23.121 28.779 1.00 0.00 C ATOM 245 O LYS A 18 32.005 22.151 28.281 1.00 0.00 O ATOM 246 CB LYS A 18 31.529 25.491 27.881 1.00 0.00 C ATOM 247 CG LYS A 18 33.074 25.440 27.910 1.00 0.00 C ATOM 248 CD LYS A 18 33.752 24.986 26.606 1.00 0.00 C ATOM 249 CE LYS A 18 34.136 26.197 25.742 1.00 0.00 C ATOM 250 NZ LYS A 18 35.002 25.820 24.599 1.00 0.00 N1+ ATOM 0 H LYS A 18 29.114 25.341 28.248 1.00 0.00 H new ATOM 0 HA LYS A 18 30.812 23.726 26.846 1.00 0.00 H new ATOM 0 HB2 LYS A 18 31.226 26.062 27.003 1.00 0.00 H new ATOM 0 HB3 LYS A 18 31.193 26.048 28.755 1.00 0.00 H new ATOM 0 HG2 LYS A 18 33.447 26.432 28.165 1.00 0.00 H new ATOM 0 HG3 LYS A 18 33.382 24.768 28.711 1.00 0.00 H new ATOM 0 HD2 LYS A 18 34.642 24.402 26.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 33.079 24.334 26.049 1.00 0.00 H new ATOM 0 HE2 LYS A 18 33.231 26.675 25.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 34.652 26.932 26.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 35.124 26.640 23.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 35.931 25.514 24.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 34.560 25.041 24.070 1.00 0.00 H new ATOM 264 N ARG A 19 31.353 23.283 30.106 1.00 0.00 N ATOM 265 CA ARG A 19 32.076 22.423 31.062 1.00 0.00 C ATOM 266 C ARG A 19 31.661 20.950 31.074 1.00 0.00 C ATOM 267 O ARG A 19 32.510 20.106 31.370 1.00 0.00 O ATOM 268 CB ARG A 19 32.032 23.039 32.466 1.00 0.00 C ATOM 269 CG ARG A 19 33.243 23.973 32.642 1.00 0.00 C ATOM 270 CD ARG A 19 33.378 24.560 34.048 1.00 0.00 C ATOM 271 NE ARG A 19 32.373 25.588 34.327 1.00 0.00 N ATOM 272 CZ ARG A 19 32.396 26.429 35.341 1.00 0.00 C ATOM 273 NH1 ARG A 19 33.285 26.360 36.287 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 31.504 27.362 35.394 1.00 0.00 N ATOM 0 H ARG A 19 30.784 24.005 30.547 1.00 0.00 H new ATOM 0 HA ARG A 19 33.105 22.394 30.704 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.105 23.595 32.604 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.049 22.254 33.222 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.152 23.422 32.401 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.166 24.790 31.924 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.287 23.760 34.782 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.373 24.989 34.165 1.00 0.00 H new ATOM 0 HE ARG A 19 31.587 25.659 33.680 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.001 25.634 36.262 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.266 27.032 37.054 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.800 27.437 34.660 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.504 28.024 36.170 1.00 0.00 H new ATOM 288 N HIS A 20 30.422 20.617 30.699 1.00 0.00 N ATOM 289 CA HIS A 20 29.990 19.215 30.576 1.00 0.00 C ATOM 290 C HIS A 20 30.601 18.529 29.342 1.00 0.00 C ATOM 291 O HIS A 20 31.007 17.370 29.418 1.00 0.00 O ATOM 292 CB HIS A 20 28.455 19.131 30.599 1.00 0.00 C ATOM 293 CG HIS A 20 27.923 17.796 30.151 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.005 16.597 30.864 1.00 0.00 N ATOM 295 CD2 HIS A 20 27.324 17.562 28.951 1.00 0.00 C ATOM 296 CE1 HIS A 20 27.451 15.668 30.062 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.029 16.221 28.913 1.00 0.00 N ATOM 0 H HIS A 20 29.697 21.298 30.474 1.00 0.00 H new ATOM 0 HA HIS A 20 30.367 18.662 31.437 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.102 19.334 31.610 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.046 19.911 29.957 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.120 18.289 28.179 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.359 14.621 30.309 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.569 15.731 28.146 1.00 0.00 H new ATOM 305 N CYS A 21 30.740 19.256 28.231 1.00 0.00 N ATOM 306 CA CYS A 21 31.360 18.746 27.004 1.00 0.00 C ATOM 307 C CYS A 21 32.900 18.875 27.011 1.00 0.00 C ATOM 308 O CYS A 21 33.597 18.000 26.500 1.00 0.00 O ATOM 309 CB CYS A 21 30.652 19.447 25.845 1.00 0.00 C ATOM 310 SG CYS A 21 28.899 18.978 25.750 1.00 0.00 S ATOM 0 H CYS A 21 30.423 20.223 28.156 1.00 0.00 H new ATOM 0 HA CYS A 21 31.226 17.669 26.904 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.734 20.527 25.967 1.00 0.00 H new ATOM 0 HB3 CYS A 21 31.148 19.194 24.908 1.00 0.00 H new ATOM 315 N LYS A 22 33.462 19.877 27.700 1.00 0.00 N ATOM 316 CA LYS A 22 34.905 20.052 27.962 1.00 0.00 C ATOM 317 C LYS A 22 35.509 18.860 28.715 1.00 0.00 C ATOM 318 O LYS A 22 36.664 18.518 28.473 1.00 0.00 O ATOM 319 CB LYS A 22 35.080 21.364 28.749 1.00 0.00 C ATOM 320 CG LYS A 22 36.495 21.780 29.184 1.00 0.00 C ATOM 321 CD LYS A 22 37.435 22.265 28.073 1.00 0.00 C ATOM 322 CE LYS A 22 38.006 21.124 27.225 1.00 0.00 C ATOM 323 NZ LYS A 22 39.344 21.469 26.703 1.00 0.00 N1+ ATOM 0 H LYS A 22 32.902 20.624 28.110 1.00 0.00 H new ATOM 0 HA LYS A 22 35.444 20.102 27.016 1.00 0.00 H new ATOM 0 HB2 LYS A 22 34.670 22.171 28.142 1.00 0.00 H new ATOM 0 HB3 LYS A 22 34.465 21.296 29.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 36.405 22.573 29.926 1.00 0.00 H new ATOM 0 HG3 LYS A 22 36.963 20.930 29.681 1.00 0.00 H new ATOM 0 HD2 LYS A 22 36.895 22.956 27.425 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.257 22.824 28.520 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.069 20.217 27.826 1.00 0.00 H new ATOM 0 HE3 LYS A 22 37.332 20.911 26.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 39.657 20.733 26.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.299 22.384 26.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 40.019 21.533 27.492 1.00 0.00 H new ATOM 337 N ALA A 23 34.715 18.164 29.534 1.00 0.00 N ATOM 338 CA ALA A 23 35.087 16.897 30.174 1.00 0.00 C ATOM 339 C ALA A 23 35.430 15.768 29.174 1.00 0.00 C ATOM 340 O ALA A 23 36.123 14.814 29.521 1.00 0.00 O ATOM 341 CB ALA A 23 33.917 16.486 31.070 1.00 0.00 C ATOM 0 H ALA A 23 33.774 18.472 29.777 1.00 0.00 H new ATOM 0 HA ALA A 23 36.002 17.052 30.745 1.00 0.00 H new ATOM 0 HB1 ALA A 23 34.152 15.545 31.567 1.00 0.00 H new ATOM 0 HB2 ALA A 23 33.743 17.259 31.819 1.00 0.00 H new ATOM 0 HB3 ALA A 23 33.020 16.361 30.463 1.00 0.00 H new ATOM 347 N GLU A 24 34.981 15.901 27.924 1.00 0.00 N ATOM 348 CA GLU A 24 35.229 14.999 26.790 1.00 0.00 C ATOM 349 C GLU A 24 36.070 15.683 25.685 1.00 0.00 C ATOM 350 O GLU A 24 36.227 15.151 24.583 1.00 0.00 O ATOM 351 CB GLU A 24 33.869 14.521 26.248 1.00 0.00 C ATOM 352 CG GLU A 24 33.025 13.798 27.309 1.00 0.00 C ATOM 353 CD GLU A 24 31.636 13.463 26.765 1.00 0.00 C ATOM 354 OE1 GLU A 24 31.524 12.621 25.841 1.00 0.00 O ATOM 355 OE2 GLU A 24 30.635 14.086 27.187 1.00 0.00 O1- ATOM 0 H GLU A 24 34.396 16.692 27.656 1.00 0.00 H new ATOM 0 HA GLU A 24 35.813 14.143 27.128 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.312 15.378 25.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.035 13.851 25.404 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.529 12.883 27.619 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.931 14.426 28.195 1.00 0.00 H new ATOM 362 N ASP A 25 36.609 16.875 25.967 1.00 0.00 N ATOM 363 CA ASP A 25 37.290 17.776 25.030 1.00 0.00 C ATOM 364 C ASP A 25 36.418 18.183 23.817 1.00 0.00 C ATOM 365 O ASP A 25 36.896 18.251 22.682 1.00 0.00 O ATOM 366 CB ASP A 25 38.691 17.222 24.692 1.00 0.00 C ATOM 367 CG ASP A 25 39.667 18.308 24.246 1.00 0.00 C ATOM 368 OD1 ASP A 25 39.796 19.327 24.963 1.00 0.00 O ATOM 369 OD2 ASP A 25 40.367 18.126 23.221 1.00 0.00 O1- ATOM 0 H ASP A 25 36.580 17.259 26.911 1.00 0.00 H new ATOM 0 HA ASP A 25 37.452 18.735 25.522 1.00 0.00 H new ATOM 0 HB2 ASP A 25 39.096 16.714 25.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 38.600 16.475 23.903 1.00 0.00 H new ATOM 374 N LYS A 26 35.118 18.419 24.061 1.00 0.00 N ATOM 375 CA LYS A 26 34.052 18.750 23.092 1.00 0.00 C ATOM 376 C LYS A 26 33.422 20.118 23.374 1.00 0.00 C ATOM 377 O LYS A 26 33.422 20.585 24.511 1.00 0.00 O ATOM 378 CB LYS A 26 32.932 17.696 23.185 1.00 0.00 C ATOM 379 CG LYS A 26 33.316 16.262 22.799 1.00 0.00 C ATOM 380 CD LYS A 26 32.906 15.937 21.362 1.00 0.00 C ATOM 381 CE LYS A 26 33.138 14.450 21.071 1.00 0.00 C ATOM 382 NZ LYS A 26 32.009 13.602 21.524 1.00 0.00 N1+ ATOM 0 H LYS A 26 34.754 18.381 25.013 1.00 0.00 H new ATOM 0 HA LYS A 26 34.510 18.767 22.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.555 17.686 24.208 1.00 0.00 H new ATOM 0 HB3 LYS A 26 32.109 18.014 22.545 1.00 0.00 H new ATOM 0 HG2 LYS A 26 34.392 16.131 22.909 1.00 0.00 H new ATOM 0 HG3 LYS A 26 32.838 15.560 23.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.856 16.186 21.210 1.00 0.00 H new ATOM 0 HD3 LYS A 26 33.482 16.546 20.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 33.286 14.311 20.000 1.00 0.00 H new ATOM 0 HE3 LYS A 26 34.054 14.125 21.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 32.213 12.606 21.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 31.882 13.712 22.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 31.139 13.892 21.035 1.00 0.00 H new ATOM 396 N GLU A 27 32.822 20.730 22.358 1.00 0.00 N ATOM 397 CA GLU A 27 31.969 21.911 22.497 1.00 0.00 C ATOM 398 C GLU A 27 30.598 21.495 23.037 1.00 0.00 C ATOM 399 O GLU A 27 30.126 20.402 22.738 1.00 0.00 O ATOM 400 CB GLU A 27 31.814 22.630 21.145 1.00 0.00 C ATOM 401 CG GLU A 27 33.071 23.389 20.691 1.00 0.00 C ATOM 402 CD GLU A 27 33.260 24.727 21.424 1.00 0.00 C ATOM 403 OE1 GLU A 27 33.375 25.777 20.746 1.00 0.00 O ATOM 404 OE2 GLU A 27 33.320 24.750 22.678 1.00 0.00 O1- ATOM 0 H GLU A 27 32.916 20.414 21.393 1.00 0.00 H new ATOM 0 HA GLU A 27 32.436 22.602 23.199 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.551 21.896 20.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.983 23.332 21.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 33.947 22.763 20.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 33.010 23.574 19.618 1.00 0.00 H new ATOM 411 N GLY A 28 29.961 22.360 23.816 1.00 0.00 N ATOM 412 CA GLY A 28 28.587 22.194 24.317 1.00 0.00 C ATOM 413 C GLY A 28 27.529 23.009 23.546 1.00 0.00 C ATOM 414 O GLY A 28 27.852 24.035 22.940 1.00 0.00 O ATOM 0 H GLY A 28 30.394 23.228 24.131 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.321 21.138 24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.558 22.484 25.367 1.00 0.00 H new ATOM 418 N ILE A 29 26.265 22.560 23.556 1.00 0.00 N ATOM 419 CA ILE A 29 25.103 23.241 22.969 1.00 0.00 C ATOM 420 C ILE A 29 23.821 22.858 23.731 1.00 0.00 C ATOM 421 O ILE A 29 23.608 21.690 24.072 1.00 0.00 O ATOM 422 CB ILE A 29 25.025 22.955 21.446 1.00 0.00 C ATOM 423 CG1 ILE A 29 23.952 23.804 20.735 1.00 0.00 C ATOM 424 CG2 ILE A 29 24.933 21.466 21.076 1.00 0.00 C ATOM 425 CD1 ILE A 29 22.551 23.191 20.625 1.00 0.00 C ATOM 0 H ILE A 29 26.015 21.673 23.993 1.00 0.00 H new ATOM 0 HA ILE A 29 25.214 24.320 23.074 1.00 0.00 H new ATOM 0 HB ILE A 29 25.993 23.276 21.062 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.867 24.755 21.261 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.306 24.027 19.728 1.00 0.00 H new ATOM 0 HG21 ILE A 29 24.883 21.363 19.992 1.00 0.00 H new ATOM 0 HG22 ILE A 29 25.813 20.943 21.450 1.00 0.00 H new ATOM 0 HG23 ILE A 29 24.038 21.035 21.523 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.890 23.885 20.106 1.00 0.00 H new ATOM 0 HD12 ILE A 29 22.606 22.256 20.067 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.160 22.996 21.623 1.00 0.00 H new ATOM 437 N CYS A 30 22.954 23.833 24.015 1.00 0.00 N ATOM 438 CA CYS A 30 21.755 23.627 24.830 1.00 0.00 C ATOM 439 C CYS A 30 20.550 23.088 24.036 1.00 0.00 C ATOM 440 O CYS A 30 20.002 23.757 23.157 1.00 0.00 O ATOM 441 CB CYS A 30 21.402 24.919 25.575 1.00 0.00 C ATOM 442 SG CYS A 30 22.573 25.393 26.874 1.00 0.00 S ATOM 0 H CYS A 30 23.065 24.792 23.684 1.00 0.00 H new ATOM 0 HA CYS A 30 21.994 22.846 25.552 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.335 25.732 24.852 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.413 24.806 26.020 1.00 0.00 H new ATOM 447 N HIS A 31 20.094 21.891 24.412 1.00 0.00 N ATOM 448 CA HIS A 31 18.835 21.266 23.986 1.00 0.00 C ATOM 449 C HIS A 31 17.796 21.414 25.114 1.00 0.00 C ATOM 450 O HIS A 31 17.716 20.581 26.019 1.00 0.00 O ATOM 451 CB HIS A 31 19.085 19.792 23.606 1.00 0.00 C ATOM 452 CG HIS A 31 19.646 19.576 22.216 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.035 18.786 21.234 1.00 0.00 N ATOM 454 CD2 HIS A 31 20.820 20.070 21.719 1.00 0.00 C ATOM 455 CE1 HIS A 31 19.856 18.833 20.169 1.00 0.00 C ATOM 456 NE2 HIS A 31 20.925 19.601 20.427 1.00 0.00 N ATOM 0 H HIS A 31 20.619 21.299 25.056 1.00 0.00 H new ATOM 0 HA HIS A 31 18.441 21.762 23.099 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.773 19.357 24.331 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.145 19.246 23.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 21.526 20.703 22.237 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.678 18.322 19.234 1.00 0.00 H new ATOM 0 HE2 HIS A 31 21.686 19.803 19.778 1.00 0.00 H new ATOM 464 N GLY A 32 17.005 22.487 25.090 1.00 0.00 N ATOM 465 CA GLY A 32 16.022 22.815 26.128 1.00 0.00 C ATOM 466 C GLY A 32 16.685 23.117 27.475 1.00 0.00 C ATOM 467 O GLY A 32 17.495 24.038 27.584 1.00 0.00 O ATOM 0 H GLY A 32 17.029 23.169 24.332 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.436 23.678 25.812 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.328 21.983 26.245 1.00 0.00 H new ATOM 471 N THR A 33 16.361 22.313 28.489 1.00 0.00 N ATOM 472 CA THR A 33 16.946 22.326 29.847 1.00 0.00 C ATOM 473 C THR A 33 18.178 21.415 30.003 1.00 0.00 C ATOM 474 O THR A 33 18.603 21.119 31.125 1.00 0.00 O ATOM 475 CB THR A 33 15.894 21.946 30.905 1.00 0.00 C ATOM 476 OG1 THR A 33 15.483 20.606 30.725 1.00 0.00 O ATOM 477 CG2 THR A 33 14.654 22.839 30.868 1.00 0.00 C ATOM 0 H THR A 33 15.645 21.593 28.388 1.00 0.00 H new ATOM 0 HA THR A 33 17.283 23.350 30.004 1.00 0.00 H new ATOM 0 HB THR A 33 16.377 22.081 31.873 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.815 20.375 31.404 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.952 22.519 31.638 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.945 23.874 31.050 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.179 22.762 29.890 1.00 0.00 H new ATOM 485 N LYS A 34 18.727 20.913 28.888 1.00 0.00 N ATOM 486 CA LYS A 34 19.792 19.896 28.821 1.00 0.00 C ATOM 487 C LYS A 34 20.930 20.311 27.877 1.00 0.00 C ATOM 488 O LYS A 34 20.777 21.234 27.080 1.00 0.00 O ATOM 489 CB LYS A 34 19.185 18.559 28.364 1.00 0.00 C ATOM 490 CG LYS A 34 18.039 18.000 29.219 1.00 0.00 C ATOM 491 CD LYS A 34 18.522 17.568 30.609 1.00 0.00 C ATOM 492 CE LYS A 34 17.430 16.812 31.370 1.00 0.00 C ATOM 493 NZ LYS A 34 16.339 17.705 31.826 1.00 0.00 N1+ ATOM 0 H LYS A 34 18.428 21.218 27.962 1.00 0.00 H new ATOM 0 HA LYS A 34 20.224 19.792 29.816 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.822 18.680 27.343 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.981 17.816 28.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.261 18.757 29.324 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.588 17.148 28.710 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.403 16.934 30.509 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.824 18.446 31.180 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.015 16.034 30.728 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.871 16.312 32.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.423 17.234 31.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.466 17.920 32.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.362 18.589 31.278 1.00 0.00 H new ATOM 507 N CYS A 35 22.062 19.614 27.943 1.00 0.00 N ATOM 508 CA CYS A 35 23.287 19.909 27.194 1.00 0.00 C ATOM 509 C CYS A 35 23.703 18.717 26.312 1.00 0.00 C ATOM 510 O CYS A 35 23.708 17.561 26.745 1.00 0.00 O ATOM 511 CB CYS A 35 24.364 20.288 28.216 1.00 0.00 C ATOM 512 SG CYS A 35 26.028 20.693 27.635 1.00 0.00 S ATOM 0 H CYS A 35 22.158 18.795 28.543 1.00 0.00 H new ATOM 0 HA CYS A 35 23.131 20.738 26.504 1.00 0.00 H new ATOM 0 HB2 CYS A 35 23.995 21.146 28.779 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.454 19.460 28.919 1.00 0.00 H new ATOM 517 N LYS A 36 24.072 19.007 25.065 1.00 0.00 N ATOM 518 CA LYS A 36 24.524 18.106 24.016 1.00 0.00 C ATOM 519 C LYS A 36 25.900 18.576 23.560 1.00 0.00 C ATOM 520 O LYS A 36 26.228 19.752 23.693 1.00 0.00 O ATOM 521 CB LYS A 36 23.483 18.146 22.878 1.00 0.00 C ATOM 522 CG LYS A 36 22.847 16.788 22.579 1.00 0.00 C ATOM 523 CD LYS A 36 22.084 16.220 23.784 1.00 0.00 C ATOM 524 CE LYS A 36 21.343 14.969 23.330 1.00 0.00 C ATOM 525 NZ LYS A 36 20.650 14.304 24.455 1.00 0.00 N1+ ATOM 0 H LYS A 36 24.059 19.973 24.737 1.00 0.00 H new ATOM 0 HA LYS A 36 24.613 17.075 24.357 1.00 0.00 H new ATOM 0 HB2 LYS A 36 22.698 18.855 23.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 23.961 18.521 21.973 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.165 16.888 21.735 1.00 0.00 H new ATOM 0 HG3 LYS A 36 23.624 16.084 22.280 1.00 0.00 H new ATOM 0 HD2 LYS A 36 22.774 15.981 24.593 1.00 0.00 H new ATOM 0 HD3 LYS A 36 21.382 16.958 24.172 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.617 15.235 22.562 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.048 14.273 22.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.157 13.457 24.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.346 14.028 25.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.959 14.959 24.873 1.00 0.00 H new ATOM 539 N CYS A 37 26.697 17.658 23.044 1.00 0.00 N ATOM 540 CA CYS A 37 28.097 17.921 22.695 1.00 0.00 C ATOM 541 C CYS A 37 28.373 17.892 21.183 1.00 0.00 C ATOM 542 O CYS A 37 28.074 16.910 20.501 1.00 0.00 O ATOM 543 CB CYS A 37 29.015 16.962 23.447 1.00 0.00 C ATOM 544 SG CYS A 37 28.874 16.992 25.261 1.00 0.00 S ATOM 0 H CYS A 37 26.398 16.702 22.851 1.00 0.00 H new ATOM 0 HA CYS A 37 28.311 18.943 23.007 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.812 15.948 23.102 1.00 0.00 H new ATOM 0 HB3 CYS A 37 30.046 17.189 23.178 1.00 0.00 H new ATOM 549 N GLY A 38 28.994 18.956 20.683 1.00 0.00 N ATOM 550 CA GLY A 38 29.309 19.197 19.280 1.00 0.00 C ATOM 551 C GLY A 38 30.647 18.604 18.833 1.00 0.00 C ATOM 552 O GLY A 38 30.952 17.434 19.070 1.00 0.00 O ATOM 0 H GLY A 38 29.309 19.718 21.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.514 18.780 18.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.321 20.272 19.100 1.00 0.00 H new ATOM 556 N VAL A 39 31.459 19.428 18.167 1.00 0.00 N ATOM 557 CA VAL A 39 32.812 19.109 17.709 1.00 0.00 C ATOM 558 C VAL A 39 33.858 19.233 18.822 1.00 0.00 C ATOM 559 O VAL A 39 33.608 19.897 19.827 1.00 0.00 O ATOM 560 CB VAL A 39 33.209 20.001 16.511 1.00 0.00 C ATOM 561 CG1 VAL A 39 32.340 19.671 15.294 1.00 0.00 C ATOM 562 CG2 VAL A 39 33.102 21.498 16.831 1.00 0.00 C ATOM 0 H VAL A 39 31.178 20.377 17.922 1.00 0.00 H new ATOM 0 HA VAL A 39 32.794 18.066 17.394 1.00 0.00 H new ATOM 0 HB VAL A 39 34.255 19.787 16.290 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.630 20.306 14.457 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.479 18.625 15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.292 19.847 15.537 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.392 22.079 15.956 1.00 0.00 H new ATOM 0 HG22 VAL A 39 32.074 21.740 17.102 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.763 21.740 17.663 1.00 0.00 H new ATOM 572 N PRO A 40 35.040 18.616 18.661 1.00 0.00 N ATOM 573 CA PRO A 40 36.205 18.850 19.509 1.00 0.00 C ATOM 574 C PRO A 40 36.552 20.342 19.629 1.00 0.00 C ATOM 575 O PRO A 40 36.378 21.100 18.666 1.00 0.00 O ATOM 576 CB PRO A 40 37.348 18.063 18.866 1.00 0.00 C ATOM 577 CG PRO A 40 36.635 16.943 18.114 1.00 0.00 C ATOM 578 CD PRO A 40 35.304 17.567 17.700 1.00 0.00 C ATOM 0 HA PRO A 40 36.011 18.522 20.530 1.00 0.00 H new ATOM 0 HB2 PRO A 40 37.935 18.687 18.193 1.00 0.00 H new ATOM 0 HB3 PRO A 40 38.035 17.669 19.615 1.00 0.00 H new ATOM 0 HG2 PRO A 40 37.209 16.615 17.247 1.00 0.00 H new ATOM 0 HG3 PRO A 40 36.486 16.068 18.747 1.00 0.00 H new ATOM 0 HD2 PRO A 40 35.359 17.969 16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 40 34.506 16.824 17.704 1.00 0.00 H new ATOM 586 N ILE A 41 37.046 20.783 20.790 1.00 0.00 N ATOM 587 CA ILE A 41 37.197 22.222 21.064 1.00 0.00 C ATOM 588 C ILE A 41 38.236 22.920 20.181 1.00 0.00 C ATOM 589 O ILE A 41 37.925 23.965 19.623 1.00 0.00 O ATOM 590 CB ILE A 41 37.366 22.541 22.567 1.00 0.00 C ATOM 591 CG1 ILE A 41 38.471 21.776 23.320 1.00 0.00 C ATOM 592 CG2 ILE A 41 36.047 22.258 23.300 1.00 0.00 C ATOM 593 CD1 ILE A 41 39.903 22.244 23.060 1.00 0.00 C ATOM 0 H ILE A 41 37.347 20.174 21.551 1.00 0.00 H new ATOM 0 HA ILE A 41 36.243 22.661 20.772 1.00 0.00 H new ATOM 0 HB ILE A 41 37.663 23.590 22.574 1.00 0.00 H new ATOM 0 HG12 ILE A 41 38.274 21.850 24.389 1.00 0.00 H new ATOM 0 HG13 ILE A 41 38.400 20.721 23.056 1.00 0.00 H new ATOM 0 HG21 ILE A 41 36.164 22.482 24.360 1.00 0.00 H new ATOM 0 HG22 ILE A 41 35.257 22.882 22.882 1.00 0.00 H new ATOM 0 HG23 ILE A 41 35.781 21.208 23.179 1.00 0.00 H new ATOM 0 HD11 ILE A 41 40.596 21.636 23.641 1.00 0.00 H new ATOM 0 HD12 ILE A 41 40.132 22.142 21.999 1.00 0.00 H new ATOM 0 HD13 ILE A 41 40.003 23.289 23.354 1.00 0.00 H new ATOM 605 N SER A 42 39.437 22.368 20.005 1.00 0.00 N ATOM 606 CA SER A 42 40.561 22.910 19.235 1.00 0.00 C ATOM 607 C SER A 42 40.922 24.405 19.386 1.00 0.00 C ATOM 608 O SER A 42 41.537 24.999 18.494 1.00 0.00 O ATOM 609 CB SER A 42 40.434 22.416 17.799 1.00 0.00 C ATOM 610 OG SER A 42 40.518 21.001 17.805 1.00 0.00 O ATOM 0 H SER A 42 39.668 21.468 20.425 1.00 0.00 H new ATOM 0 HA SER A 42 41.461 22.510 19.702 1.00 0.00 H new ATOM 0 HB2 SER A 42 39.485 22.738 17.369 1.00 0.00 H new ATOM 0 HB3 SER A 42 41.225 22.841 17.180 1.00 0.00 H new ATOM 0 HG SER A 42 40.436 20.665 16.888 1.00 0.00 H new ATOM 616 N TYR A 43 40.580 25.003 20.532 1.00 0.00 N ATOM 617 CA TYR A 43 41.032 26.327 21.000 1.00 0.00 C ATOM 618 C TYR A 43 41.020 26.465 22.541 1.00 0.00 C ATOM 619 O TYR A 43 42.046 26.848 23.111 1.00 0.00 O ATOM 620 CB TYR A 43 40.275 27.470 20.302 1.00 0.00 C ATOM 621 CG TYR A 43 38.825 27.595 20.696 1.00 0.00 C ATOM 622 CD1 TYR A 43 38.462 28.345 21.827 1.00 0.00 C ATOM 623 CD2 TYR A 43 37.851 26.884 19.982 1.00 0.00 C ATOM 624 CE1 TYR A 43 37.146 28.287 22.310 1.00 0.00 C ATOM 625 CE2 TYR A 43 36.536 26.817 20.467 1.00 0.00 C ATOM 626 CZ TYR A 43 36.178 27.509 21.642 1.00 0.00 C ATOM 627 OH TYR A 43 34.930 27.392 22.165 1.00 0.00 O ATOM 0 H TYR A 43 39.947 24.557 21.196 1.00 0.00 H new ATOM 0 HA TYR A 43 42.079 26.412 20.708 1.00 0.00 H new ATOM 0 HB2 TYR A 43 40.780 28.410 20.522 1.00 0.00 H new ATOM 0 HB3 TYR A 43 40.333 27.322 19.224 1.00 0.00 H new ATOM 0 HD1 TYR A 43 39.194 28.965 22.323 1.00 0.00 H new ATOM 0 HD2 TYR A 43 38.112 26.388 19.059 1.00 0.00 H new ATOM 0 HE1 TYR A 43 36.873 28.840 23.197 1.00 0.00 H new ATOM 0 HE2 TYR A 43 35.796 26.234 19.939 1.00 0.00 H new ATOM 0 HH TYR A 43 34.306 27.115 21.462 1.00 0.00 H new ATOM 637 N LEU A 44 39.918 26.112 23.227 1.00 0.00 N ATOM 638 CA LEU A 44 39.783 26.165 24.698 1.00 0.00 C ATOM 639 C LEU A 44 38.903 25.043 25.284 1.00 0.00 C ATOM 640 O LEU A 44 39.517 24.053 25.747 1.00 0.00 O ATOM 641 CB LEU A 44 39.329 27.585 25.127 1.00 0.00 C ATOM 642 CG LEU A 44 39.484 27.871 26.632 1.00 0.00 C ATOM 643 CD1 LEU A 44 40.947 27.986 27.063 1.00 0.00 C ATOM 644 CD2 LEU A 44 38.793 29.186 26.972 1.00 0.00 C ATOM 645 OXT LEU A 44 37.655 25.164 25.292 1.00 0.00 O1- ATOM 0 H LEU A 44 39.074 25.773 22.764 1.00 0.00 H new ATOM 0 HA LEU A 44 40.765 25.972 25.129 1.00 0.00 H new ATOM 0 HB2 LEU A 44 39.905 28.322 24.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 38.284 27.719 24.849 1.00 0.00 H new ATOM 0 HG LEU A 44 39.034 27.030 27.160 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.996 28.188 28.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.465 27.052 26.846 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.424 28.800 26.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 38.902 29.390 28.037 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.248 29.995 26.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 37.734 29.116 26.723 1.00 0.00 H new TER 657 LEU A 44