USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 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: B 4 GLN : amide:sc= -0.195 X(o=-5,f=-5.3) USER MOD Set 1.2: B 5 HIS : no HD1:sc= -4.77! C(o=-5!,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.038) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.427 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00883 X(o=-0.0088,f=-0.17) USER MOD Single : B 1 PHE N :NH3+ 172:sc= 0.369 (180deg=0.256) USER MOD Single : B 3 ASN : amide:sc= -0.144 K(o=-0.14,f=-1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -39:sc= -1.85! USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.591! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -48:sc= 0.477 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.807 1.111 0.109 1.00 0.00 N ATOM 2 CA GLY A 1 -8.471 0.666 -0.485 1.00 0.00 C ATOM 3 C GLY A 1 -7.211 0.930 0.268 1.00 0.00 C ATOM 4 O GLY A 1 -7.218 1.089 1.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.578 0.852 -0.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.953 0.642 1.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.800 2.142 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.531 -0.409 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.374 1.139 -1.462 1.00 0.00 H new ATOM 10 N LEU A 2 -6.101 0.982 -0.417 1.00 0.00 N ATOM 11 CA LEU A 2 -4.808 1.242 0.280 1.00 0.00 C ATOM 12 C LEU A 2 -3.860 1.983 -0.665 1.00 0.00 C ATOM 13 O LEU A 2 -2.692 1.665 -0.763 1.00 0.00 O ATOM 14 CB LEU A 2 -4.176 -0.089 0.694 1.00 0.00 C ATOM 15 CG LEU A 2 -3.672 -0.823 -0.549 1.00 0.00 C ATOM 16 CD1 LEU A 2 -2.144 -0.898 -0.515 1.00 0.00 C ATOM 17 CD2 LEU A 2 -4.250 -2.240 -0.572 1.00 0.00 C ATOM 0 H LEU A 2 -6.033 0.856 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.988 1.851 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.351 0.087 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.907 -0.703 1.220 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.989 -0.284 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.786 -1.421 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.731 0.110 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.826 -1.437 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.892 -2.765 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.932 -2.777 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.339 -2.189 -0.596 1.00 0.00 H new ATOM 29 N LEU A 3 -4.355 2.968 -1.364 1.00 0.00 N ATOM 30 CA LEU A 3 -3.485 3.729 -2.306 1.00 0.00 C ATOM 31 C LEU A 3 -3.349 5.171 -1.816 1.00 0.00 C ATOM 32 O LEU A 3 -2.497 5.911 -2.261 1.00 0.00 O ATOM 33 CB LEU A 3 -4.108 3.728 -3.710 1.00 0.00 C ATOM 34 CG LEU A 3 -5.175 2.634 -3.812 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.904 2.750 -5.153 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.506 1.261 -3.714 1.00 0.00 C ATOM 0 H LEU A 3 -5.326 3.279 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.503 3.258 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.552 4.701 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.334 3.563 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.892 2.751 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.663 1.971 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.380 3.728 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.189 2.634 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.264 0.481 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.789 1.147 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.988 1.176 -2.759 1.00 0.00 H new ATOM 48 N GLU A 4 -4.186 5.575 -0.904 1.00 0.00 N ATOM 49 CA GLU A 4 -4.109 6.971 -0.387 1.00 0.00 C ATOM 50 C GLU A 4 -2.736 7.220 0.245 1.00 0.00 C ATOM 51 O GLU A 4 -2.273 8.340 0.318 1.00 0.00 O ATOM 52 CB GLU A 4 -5.197 7.185 0.668 1.00 0.00 C ATOM 53 CG GLU A 4 -6.023 8.421 0.307 1.00 0.00 C ATOM 54 CD GLU A 4 -5.237 9.685 0.668 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.599 9.686 1.708 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.289 10.629 -0.101 1.00 0.00 O ATOM 0 H GLU A 4 -4.921 5.000 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.256 7.666 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.841 6.308 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.745 7.312 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.257 8.417 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.973 8.406 0.842 1.00 0.00 H new ATOM 63 N GLN A 5 -2.082 6.189 0.710 1.00 0.00 N ATOM 64 CA GLN A 5 -0.745 6.385 1.342 1.00 0.00 C ATOM 65 C GLN A 5 0.360 5.909 0.397 1.00 0.00 C ATOM 66 O GLN A 5 1.492 6.345 0.481 1.00 0.00 O ATOM 67 CB GLN A 5 -0.676 5.591 2.650 1.00 0.00 C ATOM 68 CG GLN A 5 0.069 6.410 3.705 1.00 0.00 C ATOM 69 CD GLN A 5 0.057 5.659 5.038 1.00 0.00 C ATOM 70 OE1 GLN A 5 0.716 4.650 5.186 1.00 0.00 O ATOM 71 NE2 GLN A 5 -0.671 6.113 6.022 1.00 0.00 N ATOM 0 H GLN A 5 -2.413 5.225 0.680 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.603 7.446 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.682 5.357 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.167 4.641 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.096 6.587 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.401 7.386 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.225 6.961 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.686 5.620 6.915 1.00 0.00 H new ATOM 80 N CYS A 6 0.046 5.018 -0.499 1.00 0.00 N ATOM 81 CA CYS A 6 1.084 4.514 -1.446 1.00 0.00 C ATOM 82 C CYS A 6 0.928 5.214 -2.798 1.00 0.00 C ATOM 83 O CYS A 6 1.879 5.377 -3.536 1.00 0.00 O ATOM 84 CB CYS A 6 0.922 3.005 -1.627 1.00 0.00 C ATOM 85 SG CYS A 6 0.672 2.228 -0.011 1.00 0.00 S ATOM 0 H CYS A 6 -0.883 4.615 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 6 2.075 4.725 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.074 2.795 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.806 2.589 -2.110 1.00 0.00 H new ATOM 90 N CYS A 7 -0.262 5.635 -3.127 1.00 0.00 N ATOM 91 CA CYS A 7 -0.475 6.331 -4.426 1.00 0.00 C ATOM 92 C CYS A 7 -0.215 7.824 -4.234 1.00 0.00 C ATOM 93 O CYS A 7 0.256 8.504 -5.123 1.00 0.00 O ATOM 94 CB CYS A 7 -1.918 6.122 -4.891 1.00 0.00 C ATOM 95 SG CYS A 7 -2.111 6.770 -6.570 1.00 0.00 S ATOM 0 H CYS A 7 -1.097 5.527 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 7 0.205 5.928 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.169 5.061 -4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.606 6.627 -4.213 1.00 0.00 H new ATOM 100 N HIS A 8 -0.518 8.336 -3.073 1.00 0.00 N ATOM 101 CA HIS A 8 -0.288 9.783 -2.811 1.00 0.00 C ATOM 102 C HIS A 8 1.152 9.986 -2.337 1.00 0.00 C ATOM 103 O HIS A 8 1.698 11.068 -2.420 1.00 0.00 O ATOM 104 CB HIS A 8 -1.256 10.262 -1.728 1.00 0.00 C ATOM 105 CG HIS A 8 -0.976 11.705 -1.406 1.00 0.00 C ATOM 106 ND1 HIS A 8 -0.882 12.144 -0.103 1.00 0.00 N ATOM 107 CD2 HIS A 8 -0.776 12.786 -2.219 1.00 0.00 C ATOM 108 CE1 HIS A 8 -0.631 13.460 -0.159 1.00 0.00 C ATOM 109 NE2 HIS A 8 -0.558 13.898 -1.432 1.00 0.00 N ATOM 0 H HIS A 8 -0.916 7.813 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.455 10.354 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.285 10.148 -2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.147 9.651 -0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.787 12.772 -3.299 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.503 14.091 0.708 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.379 14.851 -1.747 1.00 0.00 H new ATOM 117 N SER A 9 1.769 8.950 -1.841 1.00 0.00 N ATOM 118 CA SER A 9 3.174 9.074 -1.360 1.00 0.00 C ATOM 119 C SER A 9 3.887 7.730 -1.527 1.00 0.00 C ATOM 120 O SER A 9 3.457 6.879 -2.280 1.00 0.00 O ATOM 121 CB SER A 9 3.173 9.474 0.116 1.00 0.00 C ATOM 122 OG SER A 9 3.708 10.785 0.247 1.00 0.00 O ATOM 0 H SER A 9 1.360 8.020 -1.748 1.00 0.00 H new ATOM 0 HA SER A 9 3.694 9.836 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.158 9.441 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.765 8.767 0.697 1.00 0.00 H new ATOM 0 HG SER A 9 3.707 11.046 1.192 1.00 0.00 H new ATOM 128 N ILE A 10 4.975 7.530 -0.832 1.00 0.00 N ATOM 129 CA ILE A 10 5.711 6.241 -0.957 1.00 0.00 C ATOM 130 C ILE A 10 5.290 5.300 0.174 1.00 0.00 C ATOM 131 O ILE A 10 4.992 5.727 1.272 1.00 0.00 O ATOM 132 CB ILE A 10 7.215 6.501 -0.870 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.686 7.192 -2.152 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.956 5.174 -0.706 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.683 8.708 -1.947 1.00 0.00 C ATOM 0 H ILE A 10 5.384 8.203 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 10 5.477 5.782 -1.917 1.00 0.00 H new ATOM 0 HB ILE A 10 7.424 7.140 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.688 6.852 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.032 6.926 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.028 5.361 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.621 4.680 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.748 4.533 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.019 9.199 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.673 9.041 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.355 8.966 -1.128 1.00 0.00 H new ATOM 147 N CYS A 11 5.266 4.020 -0.084 1.00 0.00 N ATOM 148 CA CYS A 11 4.866 3.052 0.976 1.00 0.00 C ATOM 149 C CYS A 11 6.031 2.102 1.265 1.00 0.00 C ATOM 150 O CYS A 11 6.990 2.038 0.522 1.00 0.00 O ATOM 151 CB CYS A 11 3.654 2.246 0.503 1.00 0.00 C ATOM 152 SG CYS A 11 2.139 3.002 1.143 1.00 0.00 S ATOM 0 H CYS A 11 5.506 3.603 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 11 4.606 3.596 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.626 2.216 -0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.732 1.215 0.848 1.00 0.00 H new ATOM 157 N SER A 12 5.955 1.365 2.339 1.00 0.00 N ATOM 158 CA SER A 12 7.059 0.422 2.674 1.00 0.00 C ATOM 159 C SER A 12 6.664 -0.996 2.257 1.00 0.00 C ATOM 160 O SER A 12 5.536 -1.412 2.432 1.00 0.00 O ATOM 161 CB SER A 12 7.320 0.456 4.180 1.00 0.00 C ATOM 162 OG SER A 12 6.422 -0.433 4.831 1.00 0.00 O ATOM 0 H SER A 12 5.177 1.375 2.998 1.00 0.00 H new ATOM 0 HA SER A 12 7.963 0.719 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.350 0.168 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.188 1.469 4.561 1.00 0.00 H new ATOM 0 HG SER A 12 6.587 -0.416 5.797 1.00 0.00 H new ATOM 168 N LEU A 13 7.583 -1.742 1.709 1.00 0.00 N ATOM 169 CA LEU A 13 7.259 -3.131 1.284 1.00 0.00 C ATOM 170 C LEU A 13 6.738 -3.921 2.487 1.00 0.00 C ATOM 171 O LEU A 13 5.937 -4.825 2.348 1.00 0.00 O ATOM 172 CB LEU A 13 8.521 -3.803 0.739 1.00 0.00 C ATOM 173 CG LEU A 13 8.418 -3.926 -0.783 1.00 0.00 C ATOM 174 CD1 LEU A 13 9.754 -4.409 -1.349 1.00 0.00 C ATOM 175 CD2 LEU A 13 7.321 -4.932 -1.139 1.00 0.00 C ATOM 0 H LEU A 13 8.545 -1.449 1.537 1.00 0.00 H new ATOM 0 HA LEU A 13 6.496 -3.107 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.402 -3.220 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.643 -4.789 1.187 1.00 0.00 H new ATOM 0 HG LEU A 13 8.174 -2.953 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.680 -4.496 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.536 -3.694 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.999 -5.382 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.246 -5.021 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.566 -5.904 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.368 -4.589 -0.737 1.00 0.00 H new ATOM 187 N TYR A 14 7.186 -3.587 3.665 1.00 0.00 N ATOM 188 CA TYR A 14 6.715 -4.317 4.875 1.00 0.00 C ATOM 189 C TYR A 14 5.203 -4.168 5.005 1.00 0.00 C ATOM 190 O TYR A 14 4.475 -5.134 5.116 1.00 0.00 O ATOM 191 CB TYR A 14 7.388 -3.733 6.118 1.00 0.00 C ATOM 192 CG TYR A 14 6.800 -4.370 7.354 1.00 0.00 C ATOM 193 CD1 TYR A 14 6.743 -5.766 7.464 1.00 0.00 C ATOM 194 CD2 TYR A 14 6.309 -3.565 8.390 1.00 0.00 C ATOM 195 CE1 TYR A 14 6.195 -6.357 8.610 1.00 0.00 C ATOM 196 CE2 TYR A 14 5.762 -4.156 9.537 1.00 0.00 C ATOM 197 CZ TYR A 14 5.705 -5.551 9.647 1.00 0.00 C ATOM 198 OH TYR A 14 5.165 -6.133 10.776 1.00 0.00 O ATOM 0 H TYR A 14 7.858 -2.840 3.842 1.00 0.00 H new ATOM 0 HA TYR A 14 6.971 -5.372 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.463 -3.911 6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.244 -2.653 6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.122 -6.386 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.352 -2.489 8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.150 -7.433 8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.384 -3.536 10.336 1.00 0.00 H new ATOM 0 HH TYR A 14 4.874 -5.433 11.397 1.00 0.00 H new ATOM 208 N GLN A 15 4.733 -2.959 4.997 1.00 0.00 N ATOM 209 CA GLN A 15 3.268 -2.723 5.126 1.00 0.00 C ATOM 210 C GLN A 15 2.570 -3.093 3.815 1.00 0.00 C ATOM 211 O GLN A 15 1.372 -3.291 3.775 1.00 0.00 O ATOM 212 CB GLN A 15 3.015 -1.247 5.440 1.00 0.00 C ATOM 213 CG GLN A 15 2.416 -1.119 6.841 1.00 0.00 C ATOM 214 CD GLN A 15 3.409 -0.402 7.758 1.00 0.00 C ATOM 215 OE1 GLN A 15 3.738 0.746 7.537 1.00 0.00 O ATOM 216 NE2 GLN A 15 3.904 -1.036 8.786 1.00 0.00 N ATOM 0 H GLN A 15 5.300 -2.116 4.906 1.00 0.00 H new ATOM 0 HA GLN A 15 2.872 -3.340 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.948 -0.686 5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.337 -0.818 4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.479 -0.564 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.184 -2.106 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.628 -2.000 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.567 -0.567 9.403 1.00 0.00 H new ATOM 225 N LEU A 16 3.309 -3.198 2.747 1.00 0.00 N ATOM 226 CA LEU A 16 2.685 -3.562 1.447 1.00 0.00 C ATOM 227 C LEU A 16 2.414 -5.063 1.439 1.00 0.00 C ATOM 228 O LEU A 16 1.500 -5.539 0.795 1.00 0.00 O ATOM 229 CB LEU A 16 3.637 -3.207 0.302 1.00 0.00 C ATOM 230 CG LEU A 16 2.954 -3.494 -1.036 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.258 -2.361 -2.019 1.00 0.00 C ATOM 232 CD2 LEU A 16 3.477 -4.816 -1.603 1.00 0.00 C ATOM 0 H LEU A 16 4.317 -3.047 2.719 1.00 0.00 H new ATOM 0 HA LEU A 16 1.752 -3.014 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.918 -2.155 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.556 -3.787 0.385 1.00 0.00 H new ATOM 0 HG LEU A 16 1.877 -3.564 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.771 -2.566 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.885 -1.420 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.335 -2.289 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.990 -5.021 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.554 -4.747 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.259 -5.623 -0.904 1.00 0.00 H new ATOM 244 N GLU A 17 3.203 -5.811 2.157 1.00 0.00 N ATOM 245 CA GLU A 17 2.995 -7.280 2.200 1.00 0.00 C ATOM 246 C GLU A 17 1.788 -7.594 3.085 1.00 0.00 C ATOM 247 O GLU A 17 1.294 -8.703 3.109 1.00 0.00 O ATOM 248 CB GLU A 17 4.242 -7.957 2.774 1.00 0.00 C ATOM 249 CG GLU A 17 4.252 -9.434 2.376 1.00 0.00 C ATOM 250 CD GLU A 17 5.127 -10.221 3.353 1.00 0.00 C ATOM 251 OE1 GLU A 17 5.174 -9.841 4.512 1.00 0.00 O ATOM 252 OE2 GLU A 17 5.735 -11.188 2.926 1.00 0.00 O ATOM 0 H GLU A 17 3.983 -5.466 2.716 1.00 0.00 H new ATOM 0 HA GLU A 17 2.814 -7.653 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.140 -7.464 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.253 -7.862 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.236 -9.830 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.632 -9.545 1.360 1.00 0.00 H new ATOM 259 N ASN A 18 1.309 -6.622 3.814 1.00 0.00 N ATOM 260 CA ASN A 18 0.134 -6.864 4.699 1.00 0.00 C ATOM 261 C ASN A 18 -1.141 -6.923 3.854 1.00 0.00 C ATOM 262 O ASN A 18 -2.225 -7.120 4.365 1.00 0.00 O ATOM 263 CB ASN A 18 0.018 -5.728 5.716 1.00 0.00 C ATOM 264 CG ASN A 18 0.260 -6.276 7.123 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.673 -6.571 7.843 1.00 0.00 O ATOM 266 ND2 ASN A 18 1.485 -6.426 7.550 1.00 0.00 N ATOM 0 H ASN A 18 1.680 -5.672 3.835 1.00 0.00 H new ATOM 0 HA ASN A 18 0.266 -7.810 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.743 -4.947 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.970 -5.272 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.657 -6.790 8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.269 -6.179 6.947 1.00 0.00 H new ATOM 273 N TYR A 19 -1.022 -6.754 2.564 1.00 0.00 N ATOM 274 CA TYR A 19 -2.231 -6.802 1.695 1.00 0.00 C ATOM 275 C TYR A 19 -2.324 -8.173 1.024 1.00 0.00 C ATOM 276 O TYR A 19 -3.087 -8.372 0.100 1.00 0.00 O ATOM 277 CB TYR A 19 -2.132 -5.714 0.625 1.00 0.00 C ATOM 278 CG TYR A 19 -1.967 -4.368 1.291 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.961 -3.886 2.153 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.821 -3.601 1.045 1.00 0.00 C ATOM 281 CE1 TYR A 19 -2.808 -2.638 2.770 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.668 -2.353 1.662 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.661 -1.871 2.525 1.00 0.00 C ATOM 284 OH TYR A 19 -1.510 -0.641 3.133 1.00 0.00 O ATOM 0 H TYR A 19 -0.142 -6.585 2.077 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.121 -6.635 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.286 -5.912 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.028 -5.717 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.845 -4.477 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.055 -3.972 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.574 -2.267 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.216 -1.762 1.472 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.659 -0.242 2.856 1.00 0.00 H new ATOM 294 N CYS A 20 -1.551 -9.121 1.480 1.00 0.00 N ATOM 295 CA CYS A 20 -1.597 -10.477 0.865 1.00 0.00 C ATOM 296 C CYS A 20 -2.409 -11.417 1.760 1.00 0.00 C ATOM 297 O CYS A 20 -2.159 -11.531 2.943 1.00 0.00 O ATOM 298 CB CYS A 20 -0.174 -11.019 0.712 1.00 0.00 C ATOM 299 SG CYS A 20 -0.240 -12.762 0.226 1.00 0.00 S ATOM 0 H CYS A 20 -0.891 -9.015 2.250 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.067 -10.414 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.368 -10.442 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.370 -10.913 1.651 1.00 0.00 H new ATOM 304 N ASN A 21 -3.378 -12.089 1.203 1.00 0.00 N ATOM 305 CA ASN A 21 -4.205 -13.021 2.020 1.00 0.00 C ATOM 306 C ASN A 21 -3.289 -13.995 2.767 1.00 0.00 C ATOM 307 O ASN A 21 -2.562 -14.718 2.106 1.00 0.00 O ATOM 308 CB ASN A 21 -5.144 -13.806 1.102 1.00 0.00 C ATOM 309 CG ASN A 21 -6.545 -13.841 1.715 1.00 0.00 C ATOM 310 OD1 ASN A 21 -6.697 -14.036 2.903 1.00 0.00 O ATOM 311 ND2 ASN A 21 -7.585 -13.658 0.946 1.00 0.00 N ATOM 312 OXT ASN A 21 -3.333 -14.001 3.986 1.00 0.00 O ATOM 0 H ASN A 21 -3.633 -12.033 0.217 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.792 -12.451 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.178 -13.342 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.770 -14.821 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.524 -13.679 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.458 -13.494 -0.053 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 8.363 -0.963 -4.395 1.00 0.00 N ATOM 321 CA PHE B 1 9.578 -1.543 -3.757 1.00 0.00 C ATOM 322 C PHE B 1 10.111 -0.576 -2.697 1.00 0.00 C ATOM 323 O PHE B 1 9.666 -0.572 -1.567 1.00 0.00 O ATOM 324 CB PHE B 1 10.649 -1.785 -4.823 1.00 0.00 C ATOM 325 CG PHE B 1 10.349 -3.070 -5.558 1.00 0.00 C ATOM 326 CD1 PHE B 1 9.373 -3.089 -6.564 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.047 -4.242 -5.235 1.00 0.00 C ATOM 328 CE1 PHE B 1 9.094 -4.281 -7.246 1.00 0.00 C ATOM 329 CE2 PHE B 1 10.768 -5.433 -5.918 1.00 0.00 C ATOM 330 CZ PHE B 1 9.791 -5.452 -6.923 1.00 0.00 C ATOM 0 H1 PHE B 1 8.080 -1.553 -5.204 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.588 -0.932 -3.702 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.571 0.001 -4.725 1.00 0.00 H new ATOM 0 HA PHE B 1 9.323 -2.490 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.674 -0.951 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.633 -1.841 -4.358 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.836 -2.186 -6.813 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.799 -4.227 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.342 -4.297 -8.021 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.306 -6.336 -5.670 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.576 -6.370 -7.449 1.00 0.00 H new ATOM 342 N VAL B 2 11.060 0.244 -3.052 1.00 0.00 N ATOM 343 CA VAL B 2 11.619 1.209 -2.065 1.00 0.00 C ATOM 344 C VAL B 2 11.599 2.618 -2.661 1.00 0.00 C ATOM 345 O VAL B 2 11.990 2.830 -3.791 1.00 0.00 O ATOM 346 CB VAL B 2 13.059 0.818 -1.729 1.00 0.00 C ATOM 347 CG1 VAL B 2 13.903 0.827 -3.004 1.00 0.00 C ATOM 348 CG2 VAL B 2 13.639 1.820 -0.728 1.00 0.00 C ATOM 0 H VAL B 2 11.473 0.288 -3.984 1.00 0.00 H new ATOM 0 HA VAL B 2 11.016 1.190 -1.157 1.00 0.00 H new ATOM 0 HB VAL B 2 13.071 -0.181 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.929 0.548 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.491 0.114 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.891 1.826 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.665 1.542 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.626 2.819 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.039 1.814 0.182 1.00 0.00 H new ATOM 358 N ASN B 3 11.145 3.584 -1.909 1.00 0.00 N ATOM 359 CA ASN B 3 11.099 4.978 -2.434 1.00 0.00 C ATOM 360 C ASN B 3 10.272 5.012 -3.719 1.00 0.00 C ATOM 361 O ASN B 3 10.725 5.474 -4.748 1.00 0.00 O ATOM 362 CB ASN B 3 12.522 5.459 -2.731 1.00 0.00 C ATOM 363 CG ASN B 3 12.736 6.837 -2.102 1.00 0.00 C ATOM 364 OD1 ASN B 3 11.806 7.606 -1.963 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.933 7.185 -1.714 1.00 0.00 N ATOM 0 H ASN B 3 10.804 3.468 -0.955 1.00 0.00 H new ATOM 0 HA ASN B 3 10.642 5.631 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.248 4.749 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.683 5.510 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.087 8.102 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.714 6.540 -1.830 1.00 0.00 H new ATOM 372 N GLN B 4 9.062 4.526 -3.672 1.00 0.00 N ATOM 373 CA GLN B 4 8.210 4.532 -4.894 1.00 0.00 C ATOM 374 C GLN B 4 6.735 4.590 -4.493 1.00 0.00 C ATOM 375 O GLN B 4 6.360 4.200 -3.403 1.00 0.00 O ATOM 376 CB GLN B 4 8.469 3.257 -5.701 1.00 0.00 C ATOM 377 CG GLN B 4 7.885 3.414 -7.105 1.00 0.00 C ATOM 378 CD GLN B 4 8.769 4.355 -7.924 1.00 0.00 C ATOM 379 OE1 GLN B 4 8.533 5.547 -7.967 1.00 0.00 O ATOM 380 NE2 GLN B 4 9.787 3.868 -8.579 1.00 0.00 N ATOM 0 H GLN B 4 8.627 4.125 -2.841 1.00 0.00 H new ATOM 0 HA GLN B 4 8.454 5.404 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.540 3.063 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.017 2.400 -5.202 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.820 2.442 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.871 3.810 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.985 2.868 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.384 4.487 -9.127 1.00 0.00 H new ATOM 389 N HIS B 5 5.893 5.074 -5.366 1.00 0.00 N ATOM 390 CA HIS B 5 4.443 5.158 -5.039 1.00 0.00 C ATOM 391 C HIS B 5 3.700 4.006 -5.721 1.00 0.00 C ATOM 392 O HIS B 5 4.063 3.572 -6.796 1.00 0.00 O ATOM 393 CB HIS B 5 3.888 6.492 -5.541 1.00 0.00 C ATOM 394 CG HIS B 5 4.819 7.604 -5.138 1.00 0.00 C ATOM 395 ND1 HIS B 5 6.143 7.605 -5.516 1.00 0.00 N ATOM 396 CD2 HIS B 5 4.603 8.733 -4.396 1.00 0.00 C ATOM 397 CE1 HIS B 5 6.690 8.717 -5.003 1.00 0.00 C ATOM 398 NE2 HIS B 5 5.785 9.439 -4.308 1.00 0.00 N ATOM 0 H HIS B 5 6.149 5.415 -6.293 1.00 0.00 H new ATOM 0 HA HIS B 5 4.306 5.089 -3.960 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.780 6.468 -6.625 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.895 6.665 -5.125 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.662 9.024 -3.952 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.725 9.000 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.942 10.321 -3.820 1.00 0.00 H new ATOM 406 N LEU B 6 2.666 3.505 -5.103 1.00 0.00 N ATOM 407 CA LEU B 6 1.905 2.381 -5.711 1.00 0.00 C ATOM 408 C LEU B 6 0.521 2.871 -6.143 1.00 0.00 C ATOM 409 O LEU B 6 -0.112 3.648 -5.457 1.00 0.00 O ATOM 410 CB LEU B 6 1.752 1.268 -4.675 1.00 0.00 C ATOM 411 CG LEU B 6 2.786 0.176 -4.942 1.00 0.00 C ATOM 412 CD1 LEU B 6 2.444 -0.548 -6.246 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.172 0.814 -5.061 1.00 0.00 C ATOM 0 H LEU B 6 2.316 3.827 -4.201 1.00 0.00 H new ATOM 0 HA LEU B 6 2.439 2.004 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.884 1.671 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.746 0.850 -4.721 1.00 0.00 H new ATOM 0 HG LEU B 6 2.780 -0.541 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.183 -1.327 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.455 -0.999 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.450 0.165 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.914 0.039 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.174 1.529 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.416 1.330 -4.132 1.00 0.00 H new ATOM 425 N CYS B 7 0.046 2.425 -7.275 1.00 0.00 N ATOM 426 CA CYS B 7 -1.296 2.872 -7.742 1.00 0.00 C ATOM 427 C CYS B 7 -1.732 2.038 -8.950 1.00 0.00 C ATOM 428 O CYS B 7 -0.967 1.806 -9.865 1.00 0.00 O ATOM 429 CB CYS B 7 -1.226 4.346 -8.145 1.00 0.00 C ATOM 430 SG CYS B 7 -2.751 5.183 -7.644 1.00 0.00 S ATOM 0 H CYS B 7 0.528 1.773 -7.894 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.018 2.742 -6.936 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.366 4.822 -7.674 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.088 4.433 -9.223 1.00 0.00 H new ATOM 435 N GLY B 8 -2.959 1.590 -8.962 1.00 0.00 N ATOM 436 CA GLY B 8 -3.449 0.778 -10.113 1.00 0.00 C ATOM 437 C GLY B 8 -2.989 -0.674 -9.960 1.00 0.00 C ATOM 438 O GLY B 8 -2.711 -1.136 -8.871 1.00 0.00 O ATOM 0 H GLY B 8 -3.644 1.752 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.537 0.821 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.071 1.192 -11.048 1.00 0.00 H new ATOM 442 N SER B 9 -2.907 -1.395 -11.045 1.00 0.00 N ATOM 443 CA SER B 9 -2.464 -2.817 -10.968 1.00 0.00 C ATOM 444 C SER B 9 -1.077 -2.883 -10.330 1.00 0.00 C ATOM 445 O SER B 9 -0.635 -3.925 -9.891 1.00 0.00 O ATOM 446 CB SER B 9 -2.407 -3.410 -12.375 1.00 0.00 C ATOM 447 OG SER B 9 -2.167 -4.809 -12.286 1.00 0.00 O ATOM 0 H SER B 9 -3.128 -1.060 -11.983 1.00 0.00 H new ATOM 0 HA SER B 9 -3.170 -3.386 -10.363 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.344 -3.223 -12.899 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.617 -2.930 -12.953 1.00 0.00 H new ATOM 0 HG SER B 9 -2.131 -5.193 -13.187 1.00 0.00 H new ATOM 453 N ASP B 10 -0.390 -1.776 -10.265 1.00 0.00 N ATOM 454 CA ASP B 10 0.958 -1.778 -9.645 1.00 0.00 C ATOM 455 C ASP B 10 0.835 -2.338 -8.232 1.00 0.00 C ATOM 456 O ASP B 10 1.779 -2.855 -7.668 1.00 0.00 O ATOM 457 CB ASP B 10 1.491 -0.347 -9.590 1.00 0.00 C ATOM 458 CG ASP B 10 2.464 -0.118 -10.748 1.00 0.00 C ATOM 459 OD1 ASP B 10 2.348 -0.820 -11.739 1.00 0.00 O ATOM 460 OD2 ASP B 10 3.309 0.753 -10.623 1.00 0.00 O ATOM 0 H ASP B 10 -0.707 -0.872 -10.615 1.00 0.00 H new ATOM 0 HA ASP B 10 1.645 -2.390 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.665 0.362 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.994 -0.172 -8.639 1.00 0.00 H new ATOM 465 N LEU B 11 -0.334 -2.245 -7.663 1.00 0.00 N ATOM 466 CA LEU B 11 -0.547 -2.772 -6.293 1.00 0.00 C ATOM 467 C LEU B 11 -0.401 -4.290 -6.317 1.00 0.00 C ATOM 468 O LEU B 11 0.417 -4.857 -5.620 1.00 0.00 O ATOM 469 CB LEU B 11 -1.957 -2.406 -5.832 1.00 0.00 C ATOM 470 CG LEU B 11 -1.904 -1.150 -4.964 1.00 0.00 C ATOM 471 CD1 LEU B 11 -1.175 -1.460 -3.655 1.00 0.00 C ATOM 472 CD2 LEU B 11 -1.155 -0.051 -5.717 1.00 0.00 C ATOM 0 H LEU B 11 -1.156 -1.822 -8.095 1.00 0.00 H new ATOM 0 HA LEU B 11 0.186 -2.343 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.600 -2.236 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.392 -3.231 -5.268 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.918 -0.817 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.138 -0.563 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.707 -2.247 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.160 -1.792 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.114 0.848 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.142 -0.387 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.675 0.170 -6.649 1.00 0.00 H new ATOM 484 N VAL B 12 -1.185 -4.954 -7.119 1.00 0.00 N ATOM 485 CA VAL B 12 -1.082 -6.433 -7.190 1.00 0.00 C ATOM 486 C VAL B 12 0.308 -6.807 -7.684 1.00 0.00 C ATOM 487 O VAL B 12 0.751 -7.919 -7.514 1.00 0.00 O ATOM 488 CB VAL B 12 -2.141 -6.983 -8.147 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.454 -6.249 -7.910 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.698 -6.773 -9.599 1.00 0.00 C ATOM 0 H VAL B 12 -1.890 -4.536 -7.726 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.248 -6.861 -6.202 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.271 -8.050 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.214 -6.635 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.776 -6.402 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.313 -5.184 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.459 -7.168 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.564 -5.708 -9.788 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.756 -7.294 -9.771 1.00 0.00 H new ATOM 500 N GLU B 13 1.007 -5.876 -8.279 1.00 0.00 N ATOM 501 CA GLU B 13 2.379 -6.180 -8.765 1.00 0.00 C ATOM 502 C GLU B 13 3.286 -6.270 -7.549 1.00 0.00 C ATOM 503 O GLU B 13 4.065 -7.192 -7.401 1.00 0.00 O ATOM 504 CB GLU B 13 2.861 -5.064 -9.695 1.00 0.00 C ATOM 505 CG GLU B 13 3.312 -5.670 -11.025 1.00 0.00 C ATOM 506 CD GLU B 13 4.431 -4.816 -11.625 1.00 0.00 C ATOM 507 OE1 GLU B 13 5.559 -4.956 -11.181 1.00 0.00 O ATOM 508 OE2 GLU B 13 4.140 -4.036 -12.517 1.00 0.00 O ATOM 0 H GLU B 13 0.686 -4.923 -8.448 1.00 0.00 H new ATOM 0 HA GLU B 13 2.391 -7.117 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.060 -4.345 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.685 -4.521 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.662 -6.691 -10.871 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.471 -5.723 -11.716 1.00 0.00 H new ATOM 515 N ALA B 14 3.163 -5.330 -6.654 1.00 0.00 N ATOM 516 CA ALA B 14 3.984 -5.373 -5.424 1.00 0.00 C ATOM 517 C ALA B 14 3.666 -6.682 -4.705 1.00 0.00 C ATOM 518 O ALA B 14 4.535 -7.355 -4.182 1.00 0.00 O ATOM 519 CB ALA B 14 3.615 -4.188 -4.535 1.00 0.00 C ATOM 0 H ALA B 14 2.528 -4.535 -6.726 1.00 0.00 H new ATOM 0 HA ALA B 14 5.047 -5.318 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.217 -4.214 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.806 -3.258 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.559 -4.245 -4.272 1.00 0.00 H new ATOM 525 N LEU B 15 2.415 -7.058 -4.706 1.00 0.00 N ATOM 526 CA LEU B 15 2.017 -8.332 -4.056 1.00 0.00 C ATOM 527 C LEU B 15 2.452 -9.484 -4.957 1.00 0.00 C ATOM 528 O LEU B 15 3.030 -10.457 -4.517 1.00 0.00 O ATOM 529 CB LEU B 15 0.499 -8.364 -3.874 1.00 0.00 C ATOM 530 CG LEU B 15 0.066 -7.187 -2.998 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.225 -6.581 -3.553 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.175 -7.677 -1.569 1.00 0.00 C ATOM 0 H LEU B 15 1.651 -6.533 -5.132 1.00 0.00 H new ATOM 0 HA LEU B 15 2.490 -8.420 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.004 -8.311 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.197 -9.305 -3.413 1.00 0.00 H new ATOM 0 HG LEU B 15 0.850 -6.430 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.532 -5.743 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.054 -6.231 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.010 -7.337 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.484 -6.839 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.958 -8.435 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.745 -8.106 -1.172 1.00 0.00 H new ATOM 544 N TYR B 16 2.176 -9.357 -6.223 1.00 0.00 N ATOM 545 CA TYR B 16 2.559 -10.412 -7.210 1.00 0.00 C ATOM 546 C TYR B 16 3.905 -11.032 -6.841 1.00 0.00 C ATOM 547 O TYR B 16 4.140 -12.205 -7.054 1.00 0.00 O ATOM 548 CB TYR B 16 2.708 -9.771 -8.591 1.00 0.00 C ATOM 549 CG TYR B 16 2.159 -10.693 -9.646 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.815 -11.896 -9.936 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.992 -10.344 -10.335 1.00 0.00 C ATOM 552 CE1 TYR B 16 2.300 -12.752 -10.920 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.477 -11.199 -11.317 1.00 0.00 C ATOM 554 CZ TYR B 16 1.130 -12.404 -11.610 1.00 0.00 C ATOM 555 OH TYR B 16 0.623 -13.246 -12.579 1.00 0.00 O ATOM 0 H TYR B 16 1.693 -8.554 -6.626 1.00 0.00 H new ATOM 0 HA TYR B 16 1.786 -11.181 -7.209 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.180 -8.818 -8.618 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.758 -9.559 -8.792 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.715 -12.164 -9.403 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.489 -9.415 -10.109 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.805 -13.680 -11.146 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.424 -10.930 -11.849 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.192 -12.855 -12.958 1.00 0.00 H new ATOM 565 N LEU B 17 4.808 -10.245 -6.335 1.00 0.00 N ATOM 566 CA LEU B 17 6.155 -10.784 -6.006 1.00 0.00 C ATOM 567 C LEU B 17 6.237 -11.217 -4.538 1.00 0.00 C ATOM 568 O LEU B 17 6.563 -12.351 -4.244 1.00 0.00 O ATOM 569 CB LEU B 17 7.195 -9.697 -6.294 1.00 0.00 C ATOM 570 CG LEU B 17 8.628 -10.248 -6.185 1.00 0.00 C ATOM 571 CD1 LEU B 17 8.664 -11.755 -6.473 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.506 -9.527 -7.206 1.00 0.00 C ATOM 0 H LEU B 17 4.674 -9.254 -6.135 1.00 0.00 H new ATOM 0 HA LEU B 17 6.348 -11.665 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.034 -9.293 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.066 -8.873 -5.592 1.00 0.00 H new ATOM 0 HG LEU B 17 8.992 -10.082 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.689 -12.117 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.034 -12.278 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.295 -11.942 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.526 -9.906 -7.141 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.117 -9.702 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.503 -8.457 -6.997 1.00 0.00 H new ATOM 584 N VAL B 18 5.958 -10.342 -3.610 1.00 0.00 N ATOM 585 CA VAL B 18 6.045 -10.752 -2.177 1.00 0.00 C ATOM 586 C VAL B 18 5.288 -12.060 -1.979 1.00 0.00 C ATOM 587 O VAL B 18 5.771 -12.993 -1.369 1.00 0.00 O ATOM 588 CB VAL B 18 5.432 -9.675 -1.287 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.207 -8.371 -1.454 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.977 -9.454 -1.687 1.00 0.00 C ATOM 0 H VAL B 18 5.678 -9.375 -3.776 1.00 0.00 H new ATOM 0 HA VAL B 18 7.093 -10.886 -1.907 1.00 0.00 H new ATOM 0 HB VAL B 18 5.480 -9.995 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.768 -7.603 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.247 -8.527 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.160 -8.051 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.538 -8.685 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.930 -9.135 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.421 -10.384 -1.567 1.00 0.00 H new ATOM 600 N CYS B 19 4.104 -12.127 -2.498 1.00 0.00 N ATOM 601 CA CYS B 19 3.285 -13.360 -2.364 1.00 0.00 C ATOM 602 C CYS B 19 3.235 -14.069 -3.717 1.00 0.00 C ATOM 603 O CYS B 19 3.774 -15.143 -3.890 1.00 0.00 O ATOM 604 CB CYS B 19 1.870 -12.978 -1.932 1.00 0.00 C ATOM 605 SG CYS B 19 1.684 -13.248 -0.152 1.00 0.00 S ATOM 0 H CYS B 19 3.659 -11.371 -3.018 1.00 0.00 H new ATOM 0 HA CYS B 19 3.724 -14.023 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.675 -11.933 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.139 -13.574 -2.479 1.00 0.00 H new ATOM 610 N GLY B 20 2.597 -13.465 -4.682 1.00 0.00 N ATOM 611 CA GLY B 20 2.518 -14.091 -6.030 1.00 0.00 C ATOM 612 C GLY B 20 1.334 -15.057 -6.091 1.00 0.00 C ATOM 613 O GLY B 20 0.233 -14.732 -5.693 1.00 0.00 O ATOM 0 H GLY B 20 2.127 -12.564 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.408 -13.320 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.444 -14.624 -6.247 1.00 0.00 H new ATOM 617 N GLU B 21 1.552 -16.243 -6.592 1.00 0.00 N ATOM 618 CA GLU B 21 0.441 -17.232 -6.688 1.00 0.00 C ATOM 619 C GLU B 21 -0.188 -17.437 -5.308 1.00 0.00 C ATOM 620 O GLU B 21 -1.289 -17.936 -5.185 1.00 0.00 O ATOM 621 CB GLU B 21 0.987 -18.566 -7.203 1.00 0.00 C ATOM 622 CG GLU B 21 -0.113 -19.307 -7.966 1.00 0.00 C ATOM 623 CD GLU B 21 0.273 -20.779 -8.115 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.398 -21.113 -7.779 1.00 0.00 O ATOM 625 OE2 GLU B 21 -0.562 -21.547 -8.564 1.00 0.00 O ATOM 0 H GLU B 21 2.454 -16.570 -6.940 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.316 -16.858 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.843 -18.393 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.339 -19.174 -6.369 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.061 -19.221 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.256 -18.856 -8.948 1.00 0.00 H new ATOM 632 N ARG B 22 0.500 -17.054 -4.271 1.00 0.00 N ATOM 633 CA ARG B 22 -0.061 -17.225 -2.901 1.00 0.00 C ATOM 634 C ARG B 22 -1.412 -16.514 -2.813 1.00 0.00 C ATOM 635 O ARG B 22 -2.199 -16.763 -1.921 1.00 0.00 O ATOM 636 CB ARG B 22 0.902 -16.625 -1.875 1.00 0.00 C ATOM 637 CG ARG B 22 1.009 -17.558 -0.668 1.00 0.00 C ATOM 638 CD ARG B 22 -0.167 -17.308 0.278 1.00 0.00 C ATOM 639 NE ARG B 22 0.304 -17.398 1.689 1.00 0.00 N ATOM 640 CZ ARG B 22 0.449 -18.566 2.255 1.00 0.00 C ATOM 641 NH1 ARG B 22 1.474 -19.314 1.951 1.00 0.00 N ATOM 642 NH2 ARG B 22 -0.429 -18.984 3.126 1.00 0.00 N ATOM 0 H ARG B 22 1.427 -16.630 -4.311 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.195 -18.286 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.885 -16.480 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.548 -15.644 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.010 -18.597 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.951 -17.388 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.597 -16.325 0.089 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.954 -18.040 0.099 1.00 0.00 H new ATOM 0 HE ARG B 22 0.513 -16.548 2.212 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.161 -18.986 1.272 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.588 -20.226 2.392 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.229 -18.398 3.365 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.315 -19.896 3.568 1.00 0.00 H new ATOM 656 N GLY B 23 -1.686 -15.631 -3.732 1.00 0.00 N ATOM 657 CA GLY B 23 -2.986 -14.904 -3.705 1.00 0.00 C ATOM 658 C GLY B 23 -2.882 -13.706 -2.762 1.00 0.00 C ATOM 659 O GLY B 23 -2.558 -13.846 -1.599 1.00 0.00 O ATOM 0 H GLY B 23 -1.065 -15.381 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.248 -14.568 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.781 -15.572 -3.375 1.00 0.00 H new ATOM 663 N PHE B 24 -3.153 -12.527 -3.250 1.00 0.00 N ATOM 664 CA PHE B 24 -3.070 -11.323 -2.381 1.00 0.00 C ATOM 665 C PHE B 24 -4.482 -10.859 -2.019 1.00 0.00 C ATOM 666 O PHE B 24 -5.452 -11.255 -2.631 1.00 0.00 O ATOM 667 CB PHE B 24 -2.333 -10.191 -3.110 1.00 0.00 C ATOM 668 CG PHE B 24 -2.337 -10.430 -4.604 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.515 -10.247 -5.341 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.160 -10.832 -5.252 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.516 -10.467 -6.725 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.163 -11.052 -6.636 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.341 -10.869 -7.373 1.00 0.00 C ATOM 0 H PHE B 24 -3.429 -12.347 -4.215 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.521 -11.578 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.810 -9.236 -2.887 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.307 -10.126 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.421 -9.937 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.252 -10.972 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.424 -10.326 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.257 -11.363 -7.135 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.343 -11.038 -8.440 1.00 0.00 H new ATOM 683 N PHE B 25 -4.604 -10.020 -1.026 1.00 0.00 N ATOM 684 CA PHE B 25 -5.954 -9.533 -0.625 1.00 0.00 C ATOM 685 C PHE B 25 -6.178 -8.129 -1.191 1.00 0.00 C ATOM 686 O PHE B 25 -6.927 -7.342 -0.646 1.00 0.00 O ATOM 687 CB PHE B 25 -6.048 -9.490 0.901 1.00 0.00 C ATOM 688 CG PHE B 25 -7.430 -9.036 1.308 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.550 -9.798 0.953 1.00 0.00 C ATOM 690 CD2 PHE B 25 -7.591 -7.852 2.040 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.833 -9.377 1.330 1.00 0.00 C ATOM 692 CE2 PHE B 25 -8.873 -7.431 2.417 1.00 0.00 C ATOM 693 CZ PHE B 25 -9.994 -8.193 2.062 1.00 0.00 C ATOM 0 H PHE B 25 -3.828 -9.651 -0.476 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.715 -10.208 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.840 -10.476 1.317 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.297 -8.810 1.303 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.425 -10.710 0.389 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.727 -7.264 2.313 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.697 -9.965 1.056 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.997 -6.519 2.982 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.982 -7.868 2.353 1.00 0.00 H new ATOM 703 N TYR B 26 -5.537 -7.808 -2.281 1.00 0.00 N ATOM 704 CA TYR B 26 -5.717 -6.456 -2.880 1.00 0.00 C ATOM 705 C TYR B 26 -7.130 -6.336 -3.439 1.00 0.00 C ATOM 706 O TYR B 26 -7.873 -7.295 -3.504 1.00 0.00 O ATOM 707 CB TYR B 26 -4.701 -6.257 -4.007 1.00 0.00 C ATOM 708 CG TYR B 26 -5.016 -5.017 -4.804 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.618 -3.760 -4.331 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.706 -5.121 -6.020 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.910 -2.608 -5.072 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.999 -3.969 -6.761 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.601 -2.712 -6.287 1.00 0.00 C ATOM 714 OH TYR B 26 -5.888 -1.578 -7.018 1.00 0.00 O ATOM 0 H TYR B 26 -4.897 -8.423 -2.782 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.562 -5.694 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.698 -6.179 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.706 -7.127 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.086 -3.679 -3.395 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.012 -6.090 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.603 -1.639 -4.707 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.531 -4.050 -7.697 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.139 -0.852 -6.410 1.00 0.00 H new ATOM 724 N THR B 27 -7.500 -5.160 -3.838 1.00 0.00 N ATOM 725 CA THR B 27 -8.867 -4.955 -4.394 1.00 0.00 C ATOM 726 C THR B 27 -8.764 -4.407 -5.823 1.00 0.00 C ATOM 727 O THR B 27 -8.501 -5.141 -6.756 1.00 0.00 O ATOM 728 CB THR B 27 -9.634 -3.968 -3.508 1.00 0.00 C ATOM 729 OG1 THR B 27 -10.665 -3.353 -4.268 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.676 -2.898 -2.985 1.00 0.00 C ATOM 0 H THR B 27 -6.916 -4.325 -3.805 1.00 0.00 H new ATOM 0 HA THR B 27 -9.400 -5.906 -4.416 1.00 0.00 H new ATOM 0 HB THR B 27 -10.073 -4.502 -2.665 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.157 -2.723 -3.702 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.223 -2.197 -2.355 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.886 -3.371 -2.401 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.235 -2.363 -3.826 1.00 0.00 H new ATOM 738 N LYS B 28 -8.972 -3.130 -6.009 1.00 0.00 N ATOM 739 CA LYS B 28 -8.886 -2.556 -7.379 1.00 0.00 C ATOM 740 C LYS B 28 -8.478 -1.079 -7.283 1.00 0.00 C ATOM 741 O LYS B 28 -8.176 -0.593 -6.212 1.00 0.00 O ATOM 742 CB LYS B 28 -10.251 -2.684 -8.057 1.00 0.00 C ATOM 743 CG LYS B 28 -10.115 -3.461 -9.368 1.00 0.00 C ATOM 744 CD LYS B 28 -10.994 -4.712 -9.314 1.00 0.00 C ATOM 745 CE LYS B 28 -12.458 -4.316 -9.513 1.00 0.00 C ATOM 746 NZ LYS B 28 -13.076 -5.197 -10.543 1.00 0.00 N ATOM 0 H LYS B 28 -9.197 -2.463 -5.271 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.141 -3.092 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.949 -3.194 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.663 -1.694 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.410 -2.832 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.074 -3.742 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.689 -5.417 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.870 -5.216 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.001 -4.403 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.525 -3.273 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.071 -4.928 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.564 -5.092 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.025 -6.187 -10.229 1.00 0.00 H new ATOM 760 N PRO B 29 -8.462 -0.416 -8.411 1.00 0.00 N ATOM 761 CA PRO B 29 -8.074 0.997 -8.502 1.00 0.00 C ATOM 762 C PRO B 29 -9.281 1.901 -8.231 1.00 0.00 C ATOM 763 O PRO B 29 -9.509 2.871 -8.926 1.00 0.00 O ATOM 764 CB PRO B 29 -7.599 1.133 -9.952 1.00 0.00 C ATOM 765 CG PRO B 29 -8.267 -0.022 -10.746 1.00 0.00 C ATOM 766 CD PRO B 29 -8.824 -1.015 -9.705 1.00 0.00 C ATOM 0 HA PRO B 29 -7.314 1.288 -7.777 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.883 2.101 -10.364 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.513 1.067 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.065 0.358 -11.383 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -7.544 -0.511 -11.399 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.903 -1.132 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.384 -2.005 -9.823 1.00 0.00 H new ATOM 774 N THR B 30 -10.054 1.588 -7.227 1.00 0.00 N ATOM 775 CA THR B 30 -11.245 2.428 -6.915 1.00 0.00 C ATOM 776 C THR B 30 -10.799 3.686 -6.167 1.00 0.00 C ATOM 777 O THR B 30 -11.629 4.279 -5.497 1.00 0.00 O ATOM 778 CB THR B 30 -12.218 1.629 -6.043 1.00 0.00 C ATOM 779 OG1 THR B 30 -13.470 2.300 -5.999 1.00 0.00 O ATOM 780 CG2 THR B 30 -11.655 1.502 -4.626 1.00 0.00 C ATOM 781 OXT THR B 30 -9.635 4.037 -6.277 1.00 0.00 O ATOM 0 H THR B 30 -9.913 0.788 -6.610 1.00 0.00 H new ATOM 0 HA THR B 30 -11.742 2.715 -7.842 1.00 0.00 H new ATOM 0 HB THR B 30 -12.352 0.634 -6.467 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.325 3.250 -5.806 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.350 0.933 -4.008 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.695 0.987 -4.661 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.519 2.495 -4.198 1.00 0.00 H new TER 789 THR B 30