USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 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 27 THR OG1 : rot 135:sc= 0.0711 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.0732 K(o=0.14,f=-1.9!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.0848 K(o=-0.71,f=-1.4) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.627 K(o=-0.71,f=-2.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.239 K(o=0.24,f=-1.2) USER MOD Single : A 28 SER OG : rot -100:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00782 X(o=-0.0078,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.695 12.778 -6.557 1.00 0.00 N ATOM 2 CA PHE A 17 34.952 11.699 -5.816 1.00 0.00 C ATOM 3 C PHE A 17 33.526 12.042 -5.379 1.00 0.00 C ATOM 4 O PHE A 17 33.282 12.903 -4.536 1.00 0.00 O ATOM 5 CB PHE A 17 35.863 11.283 -4.617 1.00 0.00 C ATOM 6 CG PHE A 17 35.332 10.190 -3.706 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.691 10.222 -2.345 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.456 9.176 -4.139 1.00 0.00 C ATOM 9 CE1 PHE A 17 35.180 9.284 -1.438 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.918 8.257 -3.229 1.00 0.00 C ATOM 11 CZ PHE A 17 34.285 8.304 -1.880 1.00 0.00 C ATOM 0 HA PHE A 17 34.774 10.872 -6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.823 10.957 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 17 36.054 12.169 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 17 36.372 10.983 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.196 9.106 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 17 35.476 9.318 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.217 7.509 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.879 7.586 -1.182 1.00 0.00 H new ATOM 23 N ASP A 18 32.540 11.313 -5.956 1.00 0.00 N ATOM 24 CA ASP A 18 31.179 11.239 -5.478 1.00 0.00 C ATOM 25 C ASP A 18 30.921 9.795 -5.072 1.00 0.00 C ATOM 26 O ASP A 18 31.526 8.866 -5.607 1.00 0.00 O ATOM 27 CB ASP A 18 30.164 11.670 -6.567 1.00 0.00 C ATOM 28 CG ASP A 18 30.349 13.142 -6.914 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.690 13.431 -8.090 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.103 13.989 -6.016 1.00 0.00 O ATOM 0 H ASP A 18 32.697 10.750 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 18 31.050 11.919 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.298 11.060 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.147 11.498 -6.214 1.00 0.00 H new ATOM 35 N VAL A 19 30.002 9.565 -4.113 1.00 0.00 N ATOM 36 CA VAL A 19 29.604 8.223 -3.731 1.00 0.00 C ATOM 37 C VAL A 19 28.103 8.136 -3.914 1.00 0.00 C ATOM 38 O VAL A 19 27.362 9.052 -3.557 1.00 0.00 O ATOM 39 CB VAL A 19 30.060 7.859 -2.311 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.472 8.797 -1.235 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.759 6.377 -2.007 1.00 0.00 C ATOM 0 H VAL A 19 29.528 10.305 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 19 30.096 7.485 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 19 31.140 8.003 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.829 8.491 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.788 9.821 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.384 8.742 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.090 6.139 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.687 6.199 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.288 5.745 -2.720 1.00 0.00 H new ATOM 51 N VAL A 20 27.623 7.036 -4.534 1.00 0.00 N ATOM 52 CA VAL A 20 26.207 6.784 -4.755 1.00 0.00 C ATOM 53 C VAL A 20 25.903 5.381 -4.306 1.00 0.00 C ATOM 54 O VAL A 20 26.791 4.537 -4.209 1.00 0.00 O ATOM 55 CB VAL A 20 25.730 6.966 -6.201 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.894 8.444 -6.606 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.504 6.029 -7.154 1.00 0.00 C ATOM 0 H VAL A 20 28.227 6.297 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 20 25.668 7.535 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 20 24.676 6.698 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.556 8.579 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.298 9.071 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.943 8.728 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.150 6.175 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.569 6.257 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.341 4.993 -6.858 1.00 0.00 H new ATOM 67 N SER A 21 24.624 5.095 -3.996 1.00 0.00 N ATOM 68 CA SER A 21 24.177 3.773 -3.617 1.00 0.00 C ATOM 69 C SER A 21 23.877 2.871 -4.805 1.00 0.00 C ATOM 70 O SER A 21 23.490 3.316 -5.882 1.00 0.00 O ATOM 71 CB SER A 21 22.963 3.883 -2.662 1.00 0.00 C ATOM 72 OG SER A 21 21.874 4.560 -3.282 1.00 0.00 O ATOM 0 H SER A 21 23.879 5.791 -4.007 1.00 0.00 H new ATOM 0 HA SER A 21 25.003 3.291 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.647 2.886 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.257 4.415 -1.757 1.00 0.00 H new ATOM 0 HG SER A 21 21.122 4.612 -2.656 1.00 0.00 H new ATOM 78 N CYS A 22 24.047 1.540 -4.611 1.00 0.00 N ATOM 79 CA CYS A 22 23.678 0.520 -5.589 1.00 0.00 C ATOM 80 C CYS A 22 22.302 -0.038 -5.280 1.00 0.00 C ATOM 81 O CYS A 22 21.768 -0.869 -6.008 1.00 0.00 O ATOM 82 CB CYS A 22 24.699 -0.643 -5.626 1.00 0.00 C ATOM 83 SG CYS A 22 26.331 -0.076 -6.187 1.00 0.00 S ATOM 0 H CYS A 22 24.450 1.154 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 22 23.672 1.004 -6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.787 -1.083 -4.633 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.336 -1.427 -6.291 1.00 0.00 H new ATOM 88 N ASN A 23 21.718 0.449 -4.165 1.00 0.00 N ATOM 89 CA ASN A 23 20.411 0.156 -3.617 1.00 0.00 C ATOM 90 C ASN A 23 20.169 -1.330 -3.326 1.00 0.00 C ATOM 91 O ASN A 23 19.120 -1.901 -3.613 1.00 0.00 O ATOM 92 CB ASN A 23 19.317 0.794 -4.516 1.00 0.00 C ATOM 93 CG ASN A 23 17.993 0.915 -3.760 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.972 1.189 -2.556 1.00 0.00 O ATOM 95 ND2 ASN A 23 16.869 0.743 -4.496 1.00 0.00 N ATOM 0 H ASN A 23 22.214 1.122 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 23 20.358 0.614 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.642 1.780 -4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.176 0.187 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.953 0.839 -4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.939 0.517 -5.488 1.00 0.00 H new ATOM 102 N LYS A 24 21.180 -1.963 -2.700 1.00 0.00 N ATOM 103 CA LYS A 24 21.157 -3.301 -2.145 1.00 0.00 C ATOM 104 C LYS A 24 21.691 -3.177 -0.742 1.00 0.00 C ATOM 105 O LYS A 24 22.539 -2.321 -0.486 1.00 0.00 O ATOM 106 CB LYS A 24 22.046 -4.287 -2.953 1.00 0.00 C ATOM 107 CG LYS A 24 21.456 -4.670 -4.320 1.00 0.00 C ATOM 108 CD LYS A 24 20.346 -5.730 -4.190 1.00 0.00 C ATOM 109 CE LYS A 24 20.880 -7.161 -4.288 1.00 0.00 C ATOM 110 NZ LYS A 24 19.765 -8.119 -4.155 1.00 0.00 N ATOM 0 H LYS A 24 22.085 -1.512 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 24 20.143 -3.701 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.028 -3.838 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.196 -5.192 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.053 -3.780 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.249 -5.052 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.837 -5.601 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.603 -5.570 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.385 -7.306 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.619 -7.338 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.132 -9.090 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.302 -7.987 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.075 -7.956 -4.916 1.00 0.00 H new ATOM 124 N ASN A 25 21.213 -4.010 0.213 1.00 0.00 N ATOM 125 CA ASN A 25 21.776 -4.033 1.549 1.00 0.00 C ATOM 126 C ASN A 25 22.976 -4.957 1.596 1.00 0.00 C ATOM 127 O ASN A 25 23.244 -5.684 0.643 1.00 0.00 O ATOM 128 CB ASN A 25 20.734 -4.474 2.620 1.00 0.00 C ATOM 129 CG ASN A 25 20.227 -5.913 2.449 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.542 -6.226 1.470 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.594 -6.801 3.411 1.00 0.00 N ATOM 0 H ASN A 25 20.444 -4.664 0.067 1.00 0.00 H new ATOM 0 HA ASN A 25 22.084 -3.014 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.181 -4.373 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.883 -3.794 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.302 -7.776 3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.161 -6.492 4.201 1.00 0.00 H new ATOM 138 N CYS A 26 23.680 -5.005 2.747 1.00 0.00 N ATOM 139 CA CYS A 26 24.575 -6.102 3.024 1.00 0.00 C ATOM 140 C CYS A 26 24.158 -6.629 4.382 1.00 0.00 C ATOM 141 O CYS A 26 23.164 -6.177 4.949 1.00 0.00 O ATOM 142 CB CYS A 26 26.094 -5.715 2.947 1.00 0.00 C ATOM 143 SG CYS A 26 26.875 -4.682 4.241 1.00 0.00 S ATOM 0 H CYS A 26 23.634 -4.296 3.479 1.00 0.00 H new ATOM 0 HA CYS A 26 24.491 -6.873 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.658 -6.647 2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.244 -5.203 1.997 1.00 0.00 H new ATOM 148 N THR A 27 24.844 -7.657 4.914 1.00 0.00 N ATOM 149 CA THR A 27 24.722 -8.018 6.318 1.00 0.00 C ATOM 150 C THR A 27 26.174 -8.191 6.668 1.00 0.00 C ATOM 151 O THR A 27 26.919 -8.673 5.820 1.00 0.00 O ATOM 152 CB THR A 27 24.007 -9.325 6.633 1.00 0.00 C ATOM 153 OG1 THR A 27 22.727 -9.397 6.023 1.00 0.00 O ATOM 154 CG2 THR A 27 23.743 -9.425 8.150 1.00 0.00 C ATOM 0 H THR A 27 25.486 -8.246 4.384 1.00 0.00 H new ATOM 0 HA THR A 27 24.129 -7.277 6.855 1.00 0.00 H new ATOM 0 HB THR A 27 24.653 -10.121 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.610 -10.279 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.231 -10.362 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.691 -9.395 8.687 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.120 -8.589 8.467 1.00 0.00 H new ATOM 162 N SER A 28 26.641 -7.796 7.873 1.00 0.00 N ATOM 163 CA SER A 28 28.063 -7.612 8.152 1.00 0.00 C ATOM 164 C SER A 28 28.928 -8.855 7.948 1.00 0.00 C ATOM 165 O SER A 28 29.996 -8.763 7.350 1.00 0.00 O ATOM 166 CB SER A 28 28.252 -7.104 9.609 1.00 0.00 C ATOM 167 OG SER A 28 29.616 -6.839 9.936 1.00 0.00 O ATOM 0 H SER A 28 26.036 -7.599 8.670 1.00 0.00 H new ATOM 0 HA SER A 28 28.404 -6.880 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.667 -6.195 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.856 -7.847 10.301 1.00 0.00 H new ATOM 0 HG SER A 28 29.982 -7.591 10.446 1.00 0.00 H new ATOM 173 N GLY A 29 28.489 -10.045 8.422 1.00 0.00 N ATOM 174 CA GLY A 29 29.214 -11.297 8.213 1.00 0.00 C ATOM 175 C GLY A 29 29.236 -11.800 6.789 1.00 0.00 C ATOM 176 O GLY A 29 30.265 -12.248 6.294 1.00 0.00 O ATOM 0 H GLY A 29 27.626 -10.152 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.242 -11.163 8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.769 -12.065 8.845 1.00 0.00 H new ATOM 180 N GLN A 30 28.068 -11.772 6.110 1.00 0.00 N ATOM 181 CA GLN A 30 27.888 -12.215 4.736 1.00 0.00 C ATOM 182 C GLN A 30 28.558 -11.292 3.724 1.00 0.00 C ATOM 183 O GLN A 30 29.183 -11.734 2.765 1.00 0.00 O ATOM 184 CB GLN A 30 26.377 -12.303 4.401 1.00 0.00 C ATOM 185 CG GLN A 30 25.624 -13.383 5.210 1.00 0.00 C ATOM 186 CD GLN A 30 24.121 -13.320 4.912 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.459 -12.329 5.233 1.00 0.00 O ATOM 188 NE2 GLN A 30 23.569 -14.395 4.291 1.00 0.00 N ATOM 0 H GLN A 30 27.205 -11.427 6.529 1.00 0.00 H new ATOM 0 HA GLN A 30 28.361 -13.194 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.915 -11.334 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.261 -12.511 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.010 -14.371 4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.797 -13.235 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.151 -15.195 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.572 -14.402 4.074 1.00 0.00 H new ATOM 197 N ASN A 31 28.388 -9.969 3.948 1.00 0.00 N ATOM 198 CA ASN A 31 28.849 -8.819 3.194 1.00 0.00 C ATOM 199 C ASN A 31 28.411 -8.861 1.722 1.00 0.00 C ATOM 200 O ASN A 31 29.182 -8.611 0.801 1.00 0.00 O ATOM 201 CB ASN A 31 30.386 -8.629 3.396 1.00 0.00 C ATOM 202 CG ASN A 31 30.822 -7.177 3.159 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.523 -6.826 2.211 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.410 -6.301 4.124 1.00 0.00 N ATOM 0 H ASN A 31 27.858 -9.664 4.765 1.00 0.00 H new ATOM 0 HA ASN A 31 28.362 -7.927 3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.658 -8.929 4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.925 -9.285 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.683 -5.320 4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.829 -6.629 4.896 1.00 0.00 H new ATOM 211 N GLU A 32 27.109 -9.172 1.486 1.00 0.00 N ATOM 212 CA GLU A 32 26.470 -9.210 0.176 1.00 0.00 C ATOM 213 C GLU A 32 26.447 -7.864 -0.524 1.00 0.00 C ATOM 214 O GLU A 32 25.899 -6.909 0.010 1.00 0.00 O ATOM 215 CB GLU A 32 24.983 -9.667 0.295 1.00 0.00 C ATOM 216 CG GLU A 32 24.775 -11.158 0.661 1.00 0.00 C ATOM 217 CD GLU A 32 25.181 -12.113 -0.464 1.00 0.00 C ATOM 218 OE1 GLU A 32 26.064 -12.972 -0.208 1.00 0.00 O ATOM 219 OE2 GLU A 32 24.596 -12.002 -1.572 1.00 0.00 O ATOM 0 H GLU A 32 26.466 -9.409 2.241 1.00 0.00 H new ATOM 0 HA GLU A 32 27.069 -9.911 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.491 -9.053 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.483 -9.470 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.354 -11.391 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.726 -11.323 0.909 1.00 0.00 H new ATOM 226 N CYS A 33 26.987 -7.782 -1.760 1.00 0.00 N ATOM 227 CA CYS A 33 26.690 -6.735 -2.717 1.00 0.00 C ATOM 228 C CYS A 33 26.674 -7.379 -4.085 1.00 0.00 C ATOM 229 O CYS A 33 27.260 -8.455 -4.227 1.00 0.00 O ATOM 230 CB CYS A 33 27.712 -5.564 -2.737 1.00 0.00 C ATOM 231 SG CYS A 33 27.699 -4.574 -1.218 1.00 0.00 S ATOM 0 H CYS A 33 27.656 -8.467 -2.112 1.00 0.00 H new ATOM 0 HA CYS A 33 25.736 -6.293 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.713 -5.967 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.495 -4.916 -3.586 1.00 0.00 H new ATOM 236 N PRO A 34 26.055 -6.806 -5.120 1.00 0.00 N ATOM 237 CA PRO A 34 26.323 -7.179 -6.505 1.00 0.00 C ATOM 238 C PRO A 34 27.725 -6.747 -6.920 1.00 0.00 C ATOM 239 O PRO A 34 28.306 -5.851 -6.307 1.00 0.00 O ATOM 240 CB PRO A 34 25.238 -6.426 -7.295 1.00 0.00 C ATOM 241 CG PRO A 34 24.949 -5.186 -6.445 1.00 0.00 C ATOM 242 CD PRO A 34 25.066 -5.728 -5.021 1.00 0.00 C ATOM 0 HA PRO A 34 26.291 -8.255 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.587 -6.154 -8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.345 -7.036 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.666 -4.387 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 34 23.958 -4.779 -6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.391 -4.953 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.108 -6.100 -4.658 1.00 0.00 H new ATOM 250 N GLU A 35 28.310 -7.404 -7.947 1.00 0.00 N ATOM 251 CA GLU A 35 29.686 -7.181 -8.354 1.00 0.00 C ATOM 252 C GLU A 35 29.930 -5.764 -8.861 1.00 0.00 C ATOM 253 O GLU A 35 29.183 -5.236 -9.682 1.00 0.00 O ATOM 254 CB GLU A 35 30.098 -8.220 -9.433 1.00 0.00 C ATOM 255 CG GLU A 35 31.573 -8.130 -9.904 1.00 0.00 C ATOM 256 CD GLU A 35 31.919 -9.223 -10.918 1.00 0.00 C ATOM 257 OE1 GLU A 35 32.808 -10.054 -10.597 1.00 0.00 O ATOM 258 OE2 GLU A 35 31.304 -9.227 -12.015 1.00 0.00 O ATOM 0 H GLU A 35 27.825 -8.104 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 35 30.306 -7.308 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 35 29.919 -9.220 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 35 29.448 -8.098 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.752 -7.152 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.235 -8.213 -9.042 1.00 0.00 H new ATOM 265 N GLY A 36 31.006 -5.111 -8.356 1.00 0.00 N ATOM 266 CA GLY A 36 31.325 -3.722 -8.663 1.00 0.00 C ATOM 267 C GLY A 36 30.882 -2.768 -7.587 1.00 0.00 C ATOM 268 O GLY A 36 31.293 -1.611 -7.581 1.00 0.00 O ATOM 0 H GLY A 36 31.673 -5.550 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.401 -3.625 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.851 -3.445 -9.605 1.00 0.00 H new ATOM 272 N CYS A 37 30.050 -3.236 -6.634 1.00 0.00 N ATOM 273 CA CYS A 37 29.587 -2.453 -5.505 1.00 0.00 C ATOM 274 C CYS A 37 30.194 -3.017 -4.233 1.00 0.00 C ATOM 275 O CYS A 37 30.593 -4.179 -4.177 1.00 0.00 O ATOM 276 CB CYS A 37 28.042 -2.464 -5.385 1.00 0.00 C ATOM 277 SG CYS A 37 27.234 -1.764 -6.857 1.00 0.00 S ATOM 0 H CYS A 37 29.683 -4.188 -6.642 1.00 0.00 H new ATOM 0 HA CYS A 37 29.899 -1.420 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.698 -3.488 -5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.744 -1.896 -4.504 1.00 0.00 H new ATOM 282 N PHE A 38 30.297 -2.189 -3.172 1.00 0.00 N ATOM 283 CA PHE A 38 30.898 -2.590 -1.910 1.00 0.00 C ATOM 284 C PHE A 38 30.023 -2.026 -0.804 1.00 0.00 C ATOM 285 O PHE A 38 29.255 -1.096 -1.039 1.00 0.00 O ATOM 286 CB PHE A 38 32.375 -2.082 -1.767 1.00 0.00 C ATOM 287 CG PHE A 38 32.461 -0.578 -1.657 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.293 0.224 -2.794 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.624 0.039 -0.403 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.183 1.609 -2.668 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.567 1.434 -0.282 1.00 0.00 C ATOM 292 CZ PHE A 38 32.331 2.220 -1.416 1.00 0.00 C ATOM 0 H PHE A 38 29.962 -1.226 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 38 30.951 -3.677 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.828 -2.534 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.955 -2.414 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.249 -0.232 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.795 -0.568 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.983 2.213 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.705 1.901 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.263 3.294 -1.326 1.00 0.00 H new ATOM 302 N CYS A 39 30.101 -2.569 0.429 1.00 0.00 N ATOM 303 CA CYS A 39 29.296 -2.082 1.534 1.00 0.00 C ATOM 304 C CYS A 39 30.243 -1.553 2.581 1.00 0.00 C ATOM 305 O CYS A 39 31.099 -2.275 3.093 1.00 0.00 O ATOM 306 CB CYS A 39 28.409 -3.226 2.093 1.00 0.00 C ATOM 307 SG CYS A 39 27.232 -2.849 3.426 1.00 0.00 S ATOM 0 H CYS A 39 30.718 -3.345 0.670 1.00 0.00 H new ATOM 0 HA CYS A 39 28.623 -1.287 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.842 -3.641 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.072 -4.013 2.451 1.00 0.00 H new ATOM 312 N GLY A 40 30.106 -0.254 2.930 1.00 0.00 N ATOM 313 CA GLY A 40 30.910 0.367 3.969 1.00 0.00 C ATOM 314 C GLY A 40 30.204 0.177 5.273 1.00 0.00 C ATOM 315 O GLY A 40 29.320 0.953 5.627 1.00 0.00 O ATOM 0 H GLY A 40 29.435 0.378 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.902 -0.083 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.048 1.428 3.761 1.00 0.00 H new ATOM 319 N LEU A 41 30.562 -0.903 5.996 1.00 0.00 N ATOM 320 CA LEU A 41 29.796 -1.368 7.128 1.00 0.00 C ATOM 321 C LEU A 41 30.509 -0.927 8.394 1.00 0.00 C ATOM 322 O LEU A 41 31.662 -1.271 8.650 1.00 0.00 O ATOM 323 CB LEU A 41 29.660 -2.912 7.059 1.00 0.00 C ATOM 324 CG LEU A 41 28.586 -3.575 7.957 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.849 -3.508 9.468 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.176 -3.083 7.616 1.00 0.00 C ATOM 0 H LEU A 41 31.391 -1.464 5.798 1.00 0.00 H new ATOM 0 HA LEU A 41 28.791 -0.946 7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 29.450 -3.185 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.627 -3.347 7.313 1.00 0.00 H new ATOM 0 HG LEU A 41 28.661 -4.635 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.036 -4.002 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.790 -4.009 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.908 -2.466 9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.452 -3.572 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.123 -2.004 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.948 -3.323 6.577 1.00 0.00 H new ATOM 338 N LEU A 42 29.814 -0.134 9.228 1.00 0.00 N ATOM 339 CA LEU A 42 30.326 0.424 10.452 1.00 0.00 C ATOM 340 C LEU A 42 30.105 -0.471 11.672 1.00 0.00 C ATOM 341 O LEU A 42 28.990 -0.719 12.133 1.00 0.00 O ATOM 342 CB LEU A 42 29.734 1.850 10.709 1.00 0.00 C ATOM 343 CG LEU A 42 28.306 2.211 10.181 1.00 0.00 C ATOM 344 CD1 LEU A 42 28.284 2.611 8.690 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.200 1.173 10.461 1.00 0.00 C ATOM 0 H LEU A 42 28.847 0.134 9.045 1.00 0.00 H new ATOM 0 HA LEU A 42 31.405 0.500 10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 42 29.731 2.010 11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.430 2.572 10.281 1.00 0.00 H new ATOM 0 HG LEU A 42 28.060 3.084 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 42 27.263 2.848 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.918 3.484 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.656 1.783 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.255 1.529 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.465 0.224 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.098 1.031 11.537 1.00 0.00 H new ATOM 357 N GLY A 43 31.222 -0.960 12.266 1.00 0.00 N ATOM 358 CA GLY A 43 31.279 -1.463 13.636 1.00 0.00 C ATOM 359 C GLY A 43 30.565 -2.758 13.917 1.00 0.00 C ATOM 360 O GLY A 43 30.342 -3.084 15.079 1.00 0.00 O ATOM 0 H GLY A 43 32.120 -1.011 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 43 32.327 -1.588 13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 43 30.867 -0.699 14.295 1.00 0.00 H new ATOM 364 N GLN A 44 30.180 -3.508 12.859 1.00 0.00 N ATOM 365 CA GLN A 44 29.410 -4.747 12.903 1.00 0.00 C ATOM 366 C GLN A 44 28.026 -4.594 13.538 1.00 0.00 C ATOM 367 O GLN A 44 27.466 -5.539 14.090 1.00 0.00 O ATOM 368 CB GLN A 44 30.206 -5.881 13.610 1.00 0.00 C ATOM 369 CG GLN A 44 31.535 -6.202 12.889 1.00 0.00 C ATOM 370 CD GLN A 44 32.302 -7.346 13.556 1.00 0.00 C ATOM 371 OE1 GLN A 44 33.401 -7.156 14.081 1.00 0.00 O ATOM 372 NE2 GLN A 44 31.719 -8.573 13.519 1.00 0.00 N ATOM 0 H GLN A 44 30.418 -3.240 11.904 1.00 0.00 H new ATOM 0 HA GLN A 44 29.242 -5.020 11.861 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.415 -5.588 14.639 1.00 0.00 H new ATOM 0 HB3 GLN A 44 29.592 -6.781 13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.328 -6.464 11.852 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.161 -5.310 12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 44 30.808 -8.692 13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 44 32.192 -9.375 13.935 1.00 0.00 H new ATOM 381 N ASN A 45 27.437 -3.379 13.453 1.00 0.00 N ATOM 382 CA ASN A 45 26.198 -3.025 14.130 1.00 0.00 C ATOM 383 C ASN A 45 24.946 -3.459 13.405 1.00 0.00 C ATOM 384 O ASN A 45 23.996 -3.965 13.997 1.00 0.00 O ATOM 385 CB ASN A 45 26.071 -1.487 14.295 1.00 0.00 C ATOM 386 CG ASN A 45 27.021 -0.965 15.370 1.00 0.00 C ATOM 387 OD1 ASN A 45 26.784 -1.149 16.565 1.00 0.00 O ATOM 388 ND2 ASN A 45 28.113 -0.279 14.944 1.00 0.00 N ATOM 0 H ASN A 45 27.826 -2.615 12.900 1.00 0.00 H new ATOM 0 HA ASN A 45 26.266 -3.548 15.084 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.289 -0.998 13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.045 -1.231 14.558 1.00 0.00 H new ATOM 0 HD21 ASN A 45 28.771 0.105 15.622 1.00 0.00 H new ATOM 0 HD22 ASN A 45 28.275 -0.147 13.946 1.00 0.00 H new ATOM 395 N LYS A 46 24.914 -3.185 12.092 1.00 0.00 N ATOM 396 CA LYS A 46 23.701 -3.166 11.316 1.00 0.00 C ATOM 397 C LYS A 46 23.982 -3.811 9.986 1.00 0.00 C ATOM 398 O LYS A 46 25.070 -4.313 9.717 1.00 0.00 O ATOM 399 CB LYS A 46 23.133 -1.733 11.078 1.00 0.00 C ATOM 400 CG LYS A 46 22.715 -0.987 12.359 1.00 0.00 C ATOM 401 CD LYS A 46 22.018 0.362 12.093 1.00 0.00 C ATOM 402 CE LYS A 46 22.889 1.398 11.381 1.00 0.00 C ATOM 403 NZ LYS A 46 22.133 2.659 11.243 1.00 0.00 N ATOM 0 H LYS A 46 25.750 -2.970 11.548 1.00 0.00 H new ATOM 0 HA LYS A 46 22.944 -3.709 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.885 -1.140 10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.269 -1.804 10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.045 -1.624 12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.599 -0.814 12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.125 0.183 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.685 0.778 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.805 1.570 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.185 1.028 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.723 3.366 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.271 2.488 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.872 3.012 12.186 1.00 0.00 H new ATOM 417 N LYS A 47 22.945 -3.823 9.139 1.00 0.00 N ATOM 418 CA LYS A 47 22.968 -4.201 7.746 1.00 0.00 C ATOM 419 C LYS A 47 23.808 -3.324 6.821 1.00 0.00 C ATOM 420 O LYS A 47 24.446 -3.832 5.908 1.00 0.00 O ATOM 421 CB LYS A 47 21.511 -4.316 7.222 1.00 0.00 C ATOM 422 CG LYS A 47 20.666 -3.030 7.310 1.00 0.00 C ATOM 423 CD LYS A 47 19.266 -3.159 6.673 1.00 0.00 C ATOM 424 CE LYS A 47 18.366 -4.275 7.220 1.00 0.00 C ATOM 425 NZ LYS A 47 18.118 -4.091 8.664 1.00 0.00 N ATOM 0 H LYS A 47 22.011 -3.548 9.443 1.00 0.00 H new ATOM 0 HA LYS A 47 23.478 -5.164 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.543 -4.637 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.004 -5.101 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.554 -2.751 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.204 -2.219 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.746 -2.209 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.392 -3.316 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.418 -4.280 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.835 -5.244 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.507 -4.857 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.023 -4.110 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.649 -3.176 8.822 1.00 0.00 H new ATOM 439 N GLY A 48 23.853 -1.982 7.000 1.00 0.00 N ATOM 440 CA GLY A 48 24.537 -1.097 6.052 1.00 0.00 C ATOM 441 C GLY A 48 23.814 -0.991 4.727 1.00 0.00 C ATOM 442 O GLY A 48 22.638 -1.338 4.624 1.00 0.00 O ATOM 0 H GLY A 48 23.424 -1.500 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.630 -0.104 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.548 -1.466 5.881 1.00 0.00 H new ATOM 446 N HIS A 49 24.497 -0.516 3.656 1.00 0.00 N ATOM 447 CA HIS A 49 23.877 -0.521 2.345 1.00 0.00 C ATOM 448 C HIS A 49 25.029 -0.491 1.341 1.00 0.00 C ATOM 449 O HIS A 49 26.119 -0.036 1.685 1.00 0.00 O ATOM 450 CB HIS A 49 22.917 0.695 2.194 1.00 0.00 C ATOM 451 CG HIS A 49 21.793 0.513 1.209 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.821 -0.415 1.547 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.383 1.255 0.143 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.849 -0.219 0.683 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.128 0.785 -0.183 1.00 0.00 N ATOM 0 H HIS A 49 25.445 -0.140 3.688 1.00 0.00 H new ATOM 0 HA HIS A 49 23.258 -1.403 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.489 0.921 3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.503 1.564 1.894 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.853 -1.101 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 49 21.928 2.048 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 49 18.934 -0.792 0.666 1.00 0.00 H new ATOM 463 N CYS A 50 24.863 -1.025 0.105 1.00 0.00 N ATOM 464 CA CYS A 50 25.940 -1.104 -0.884 1.00 0.00 C ATOM 465 C CYS A 50 26.095 0.165 -1.716 1.00 0.00 C ATOM 466 O CYS A 50 25.110 0.775 -2.142 1.00 0.00 O ATOM 467 CB CYS A 50 25.754 -2.285 -1.875 1.00 0.00 C ATOM 468 SG CYS A 50 25.781 -3.901 -1.047 1.00 0.00 S ATOM 0 H CYS A 50 23.977 -1.409 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 50 26.835 -1.253 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.807 -2.167 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.543 -2.252 -2.626 1.00 0.00 H new ATOM 473 N TYR A 51 27.358 0.583 -1.985 1.00 0.00 N ATOM 474 CA TYR A 51 27.672 1.849 -2.633 1.00 0.00 C ATOM 475 C TYR A 51 28.561 1.592 -3.846 1.00 0.00 C ATOM 476 O TYR A 51 29.190 0.540 -3.973 1.00 0.00 O ATOM 477 CB TYR A 51 28.506 2.857 -1.789 1.00 0.00 C ATOM 478 CG TYR A 51 28.019 3.112 -0.392 1.00 0.00 C ATOM 479 CD1 TYR A 51 29.024 3.271 0.576 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.676 3.063 0.020 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.717 3.196 1.941 1.00 0.00 C ATOM 482 CE2 TYR A 51 26.363 3.028 1.388 1.00 0.00 C ATOM 483 CZ TYR A 51 27.386 3.026 2.344 1.00 0.00 C ATOM 484 OH TYR A 51 27.080 2.763 3.696 1.00 0.00 O ATOM 0 H TYR A 51 28.184 0.033 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 51 26.690 2.273 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.531 2.492 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.535 3.808 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 51 30.042 3.453 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.885 3.052 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 51 29.502 3.269 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 51 25.331 3.003 1.704 1.00 0.00 H new ATOM 0 HH TYR A 51 26.110 2.674 3.800 1.00 0.00 H new ATOM 494 N LYS A 52 28.649 2.598 -4.745 1.00 0.00 N ATOM 495 CA LYS A 52 29.615 2.676 -5.826 1.00 0.00 C ATOM 496 C LYS A 52 30.449 3.953 -5.682 1.00 0.00 C ATOM 497 O LYS A 52 29.920 5.025 -5.383 1.00 0.00 O ATOM 498 CB LYS A 52 28.897 2.654 -7.198 1.00 0.00 C ATOM 499 CG LYS A 52 29.824 2.672 -8.426 1.00 0.00 C ATOM 500 CD LYS A 52 29.068 2.553 -9.764 1.00 0.00 C ATOM 501 CE LYS A 52 28.149 3.737 -10.068 1.00 0.00 C ATOM 502 NZ LYS A 52 27.548 3.571 -11.407 1.00 0.00 N ATOM 0 H LYS A 52 28.019 3.400 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 52 30.276 1.811 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.272 1.762 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.230 3.514 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.400 3.597 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.537 1.852 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.793 2.453 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.474 1.639 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.366 3.805 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.714 4.668 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.924 4.378 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.301 3.527 -12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.995 2.691 -11.433 1.00 0.00 H new ATOM 516 N ILE A 53 31.790 3.854 -5.891 1.00 0.00 N ATOM 517 CA ILE A 53 32.722 4.980 -5.954 1.00 0.00 C ATOM 518 C ILE A 53 32.911 5.405 -7.393 1.00 0.00 C ATOM 519 O ILE A 53 33.288 4.608 -8.252 1.00 0.00 O ATOM 520 CB ILE A 53 34.096 4.680 -5.327 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.979 4.471 -3.801 1.00 0.00 C ATOM 522 CG2 ILE A 53 35.151 5.764 -5.661 1.00 0.00 C ATOM 523 CD1 ILE A 53 35.203 3.803 -3.162 1.00 0.00 C ATOM 0 H ILE A 53 32.252 2.954 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 53 32.276 5.782 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 53 34.447 3.750 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.817 5.438 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 53 33.098 3.863 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 53 36.101 5.503 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.282 5.824 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.814 6.729 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 53 35.039 3.693 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 53 35.356 2.820 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 53 36.085 4.420 -3.333 1.00 0.00 H new ATOM 535 N ILE A 54 32.654 6.701 -7.674 1.00 0.00 N ATOM 536 CA ILE A 54 32.907 7.335 -8.950 1.00 0.00 C ATOM 537 C ILE A 54 33.640 8.645 -8.741 1.00 0.00 C ATOM 538 O ILE A 54 33.368 9.407 -7.815 1.00 0.00 O ATOM 539 CB ILE A 54 31.645 7.538 -9.804 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.523 8.369 -9.114 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.166 6.174 -10.340 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.653 7.623 -8.084 1.00 0.00 C ATOM 0 H ILE A 54 32.253 7.339 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 54 33.535 6.650 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 54 31.919 8.167 -10.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.986 9.221 -8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.868 8.769 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.271 6.315 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.951 5.727 -10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.937 5.514 -9.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.909 8.306 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.149 6.787 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.284 7.247 -7.279 1.00 0.00 H new ATOM 554 N GLY A 55 34.623 8.956 -9.609 1.00 0.00 N ATOM 555 CA GLY A 55 35.353 10.200 -9.505 1.00 0.00 C ATOM 556 C GLY A 55 36.571 10.113 -10.361 1.00 0.00 C ATOM 557 O GLY A 55 36.833 9.080 -10.970 1.00 0.00 O ATOM 0 H GLY A 55 34.916 8.356 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.727 11.033 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.632 10.389 -8.468 1.00 0.00 H new ATOM 561 N ASN A 56 37.351 11.212 -10.420 1.00 0.00 N ATOM 562 CA ASN A 56 38.589 11.272 -11.188 1.00 0.00 C ATOM 563 C ASN A 56 39.836 11.307 -10.258 1.00 0.00 C ATOM 564 O ASN A 56 39.928 12.265 -9.444 1.00 0.00 O ATOM 565 CB ASN A 56 38.597 12.507 -12.136 1.00 0.00 C ATOM 566 CG ASN A 56 37.498 12.343 -13.188 1.00 0.00 C ATOM 567 OD1 ASN A 56 37.586 11.462 -14.046 1.00 0.00 O ATOM 568 ND2 ASN A 56 36.438 13.189 -13.124 1.00 0.00 N ATOM 569 OXT ASN A 56 40.693 10.392 -10.370 1.00 0.00 O ATOM 0 H ASN A 56 37.130 12.080 -9.931 1.00 0.00 H new ATOM 0 HA ASN A 56 38.639 10.366 -11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 56 38.435 13.420 -11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.569 12.602 -12.620 1.00 0.00 H new ATOM 0 HD21 ASN A 56 35.679 13.108 -13.801 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.401 13.906 -12.399 1.00 0.00 H new TER 576 ASN A 56