USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 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 124 SER OG : rot 109:sc= 0.765 USER MOD Set 1.2: A 129 OLA O2 : rot 170:sc= 0.929 USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 THR OG1 : rot -113:sc= 1.27 USER MOD Set 2.3: A 111 ASN : amide:sc= 1.1 K(o=2.4,f=-4.1) USER MOD Set 2.4: A 113 MET CE :methyl 147:sc= 0 (180deg=-0.555) USER MOD Set 3.1: A 94 THR OG1 : rot -107:sc= 0.992 USER MOD Set 3.2: A 99 LYS NZ :NH3+ -171:sc= 1.88 (180deg=0.566) USER MOD Set 4.1: A 81 THR OG1 : rot -59:sc= 1.19 USER MOD Set 4.2: A 93 THR OG1 : rot 51:sc= 2.2 USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0.422 K(o=0.85,f=-0.35) USER MOD Set 5.2: A 64 THR OG1 : rot -113:sc= 0.424 USER MOD Set 6.1: A 56 SER OG : rot 143:sc= 0.931 USER MOD Set 6.2: A 128 OLA O2 : rot 92:sc= 0.946 USER MOD Set 7.1: A 10 GLN : amide:sc= 0.967 K(o=2.1,f=-4.1) USER MOD Set 7.2: A 36 LYS NZ :NH3+ 179:sc= 1.13 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.703 USER MOD Single : A 4 SER OG : rot 180:sc= 0.111 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 7 TYR OH : rot -130:sc= -0.0162 USER MOD Single : A 8 GLN : amide:sc= 0.862 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.44 K(o=1.4,f=-4.7!) USER MOD Single : A 14 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 19 MET CE :methyl 140:sc= -0.0375 (180deg=-0.871) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 2.09 (180deg=1.28) USER MOD Single : A 30 GLN : amide:sc= 1 K(o=1,f=-0.62) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 2.37 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.335!) USER MOD Single : A 39 SER OG : rot -140:sc= 0.9 USER MOD Single : A 43 GLN : amide:sc= 2.1 K(o=2.1,f=-3.6!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.84) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.08 (180deg=-0.53!) USER MOD Single : A 51 THR OG1 : rot 136:sc= 0.994 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.14 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.08) USER MOD Single : A 60 GLN : amide:sc= 0.137 K(o=0.14,f=-1.2) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 CYS SG : rot 45:sc= 0.794 USER MOD Single : A 73 THR OG1 : rot -119:sc= 0.971 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.12) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 1.21 (180deg=-0.018!) USER MOD Single : A 84 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.0077) USER MOD Single : A 89 ASN : amide:sc= 0.461 X(o=0.46,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.958) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.251) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 110 THR OG1 : rot 2:sc= 1.24 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0041 USER MOD Single : A 114 THR OG1 : rot -55:sc= 0.857 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.702 -10.532 -10.863 1.00 0.00 N ATOM 2 CA SER A 2 7.544 -11.054 -9.759 1.00 0.00 C ATOM 3 C SER A 2 7.559 -10.046 -8.575 1.00 0.00 C ATOM 4 O SER A 2 8.292 -9.052 -8.577 1.00 0.00 O ATOM 5 CB SER A 2 8.948 -11.350 -10.325 1.00 0.00 C ATOM 6 OG SER A 2 9.803 -11.908 -9.326 1.00 0.00 O ATOM 0 HA SER A 2 7.139 -11.983 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.866 -12.041 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.388 -10.431 -10.711 1.00 0.00 H new ATOM 0 HG SER A 2 10.685 -12.087 -9.713 1.00 0.00 H new ATOM 13 N PHE A 3 6.769 -10.341 -7.538 1.00 0.00 N ATOM 14 CA PHE A 3 6.594 -9.446 -6.353 1.00 0.00 C ATOM 15 C PHE A 3 7.583 -9.610 -5.151 1.00 0.00 C ATOM 16 O PHE A 3 7.470 -8.836 -4.199 1.00 0.00 O ATOM 17 CB PHE A 3 5.109 -9.560 -5.893 1.00 0.00 C ATOM 18 CG PHE A 3 4.099 -8.815 -6.779 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.794 -7.474 -6.523 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.456 -9.479 -7.830 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.859 -6.806 -7.310 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.506 -8.814 -8.596 1.00 0.00 C ATOM 23 CZ PHE A 3 2.206 -7.481 -8.334 1.00 0.00 C ATOM 0 H PHE A 3 6.226 -11.203 -7.481 1.00 0.00 H new ATOM 0 HA PHE A 3 6.856 -8.447 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.834 -10.614 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.029 -9.178 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.285 -6.955 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.698 -10.509 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.642 -5.764 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.000 -9.333 -9.396 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.463 -6.969 -8.928 1.00 0.00 H new ATOM 33 N SER A 4 8.552 -10.544 -5.154 1.00 0.00 N ATOM 34 CA SER A 4 9.510 -10.706 -4.022 1.00 0.00 C ATOM 35 C SER A 4 10.614 -9.594 -4.002 1.00 0.00 C ATOM 36 O SER A 4 11.391 -9.461 -4.956 1.00 0.00 O ATOM 37 CB SER A 4 10.102 -12.133 -4.058 1.00 0.00 C ATOM 38 OG SER A 4 9.100 -13.106 -3.748 1.00 0.00 O ATOM 0 H SER A 4 8.700 -11.200 -5.921 1.00 0.00 H new ATOM 0 HA SER A 4 8.968 -10.578 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.518 -12.334 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.923 -12.209 -3.345 1.00 0.00 H new ATOM 0 HG SER A 4 9.494 -14.003 -3.778 1.00 0.00 H new ATOM 44 N GLY A 5 10.672 -8.796 -2.920 1.00 0.00 N ATOM 45 CA GLY A 5 11.664 -7.698 -2.781 1.00 0.00 C ATOM 46 C GLY A 5 11.355 -6.678 -1.659 1.00 0.00 C ATOM 47 O GLY A 5 10.261 -6.627 -1.089 1.00 0.00 O ATOM 0 H GLY A 5 10.043 -8.887 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.645 -8.136 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.729 -7.164 -3.729 1.00 0.00 H new ATOM 51 N LYS A 6 12.358 -5.844 -1.364 1.00 0.00 N ATOM 52 CA LYS A 6 12.266 -4.729 -0.375 1.00 0.00 C ATOM 53 C LYS A 6 12.233 -3.397 -1.188 1.00 0.00 C ATOM 54 O LYS A 6 13.258 -2.759 -1.426 1.00 0.00 O ATOM 55 CB LYS A 6 13.491 -4.809 0.572 1.00 0.00 C ATOM 56 CG LYS A 6 13.510 -5.989 1.574 1.00 0.00 C ATOM 57 CD LYS A 6 14.836 -6.045 2.365 1.00 0.00 C ATOM 58 CE LYS A 6 14.988 -7.258 3.305 1.00 0.00 C ATOM 59 NZ LYS A 6 14.126 -7.138 4.514 1.00 0.00 N ATOM 0 H LYS A 6 13.276 -5.913 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 6 11.370 -4.788 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.392 -4.865 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.547 -3.879 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.676 -5.890 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.367 -6.926 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.664 -6.049 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.927 -5.134 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.731 -8.169 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.030 -7.352 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.258 -7.973 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.388 -6.282 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.129 -7.075 4.225 1.00 0.00 H new ATOM 73 N TYR A 7 11.045 -2.959 -1.616 1.00 0.00 N ATOM 74 CA TYR A 7 10.891 -1.832 -2.579 1.00 0.00 C ATOM 75 C TYR A 7 10.976 -0.437 -1.884 1.00 0.00 C ATOM 76 O TYR A 7 10.047 -0.047 -1.173 1.00 0.00 O ATOM 77 CB TYR A 7 9.540 -1.992 -3.357 1.00 0.00 C ATOM 78 CG TYR A 7 9.292 -3.273 -4.193 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.948 -4.476 -3.562 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.346 -3.235 -5.592 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.735 -5.631 -4.309 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.108 -4.388 -6.340 1.00 0.00 C ATOM 83 CZ TYR A 7 8.827 -5.589 -5.695 1.00 0.00 C ATOM 84 OH TYR A 7 8.696 -6.749 -6.409 1.00 0.00 O ATOM 0 H TYR A 7 10.159 -3.364 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 7 11.723 -1.874 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.732 -1.914 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.446 -1.139 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.847 -4.507 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.573 -2.307 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.498 -6.560 -3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.142 -4.349 -7.419 1.00 0.00 H new ATOM 0 HH TYR A 7 9.439 -6.829 -7.042 1.00 0.00 H new ATOM 94 N GLN A 8 12.066 0.333 -2.076 1.00 0.00 N ATOM 95 CA GLN A 8 12.194 1.682 -1.450 1.00 0.00 C ATOM 96 C GLN A 8 11.408 2.800 -2.213 1.00 0.00 C ATOM 97 O GLN A 8 11.479 2.922 -3.441 1.00 0.00 O ATOM 98 CB GLN A 8 13.684 2.047 -1.239 1.00 0.00 C ATOM 99 CG GLN A 8 13.882 3.200 -0.217 1.00 0.00 C ATOM 100 CD GLN A 8 15.318 3.658 0.027 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.294 3.213 -0.568 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.479 4.598 0.923 1.00 0.00 N ATOM 0 H GLN A 8 12.864 0.057 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 8 11.718 1.623 -0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.224 1.165 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.122 2.335 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.303 4.059 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.458 2.886 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.671 4.972 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.412 4.957 1.124 1.00 0.00 H new ATOM 111 N LEU A 9 10.701 3.647 -1.445 1.00 0.00 N ATOM 112 CA LEU A 9 9.864 4.750 -1.981 1.00 0.00 C ATOM 113 C LEU A 9 10.680 5.904 -2.638 1.00 0.00 C ATOM 114 O LEU A 9 11.661 6.406 -2.085 1.00 0.00 O ATOM 115 CB LEU A 9 8.942 5.229 -0.823 1.00 0.00 C ATOM 116 CG LEU A 9 7.935 6.373 -1.130 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.914 6.001 -2.220 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.193 6.768 0.154 1.00 0.00 C ATOM 0 H LEU A 9 10.690 3.590 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 9 9.263 4.379 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.375 4.369 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.578 5.554 0.000 1.00 0.00 H new ATOM 0 HG LEU A 9 8.517 7.213 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.239 6.840 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.439 5.766 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.339 5.132 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.488 7.570 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.652 5.905 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.912 7.110 0.899 1.00 0.00 H new ATOM 130 N GLN A 10 10.229 6.322 -3.828 1.00 0.00 N ATOM 131 CA GLN A 10 10.857 7.414 -4.617 1.00 0.00 C ATOM 132 C GLN A 10 9.911 8.648 -4.708 1.00 0.00 C ATOM 133 O GLN A 10 10.265 9.723 -4.219 1.00 0.00 O ATOM 134 CB GLN A 10 11.268 6.851 -6.004 1.00 0.00 C ATOM 135 CG GLN A 10 12.344 5.740 -5.979 1.00 0.00 C ATOM 136 CD GLN A 10 13.795 6.202 -5.763 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.100 7.290 -5.272 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.742 5.362 -6.106 1.00 0.00 N ATOM 0 H GLN A 10 9.412 5.915 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 10 11.758 7.773 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.378 6.459 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.635 7.674 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.088 5.034 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.295 5.195 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.500 4.459 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.721 5.612 -5.965 1.00 0.00 H new ATOM 147 N SER A 11 8.734 8.498 -5.342 1.00 0.00 N ATOM 148 CA SER A 11 7.721 9.584 -5.460 1.00 0.00 C ATOM 149 C SER A 11 6.375 9.191 -4.764 1.00 0.00 C ATOM 150 O SER A 11 5.902 8.054 -4.864 1.00 0.00 O ATOM 151 CB SER A 11 7.558 9.914 -6.961 1.00 0.00 C ATOM 152 OG SER A 11 6.645 10.993 -7.166 1.00 0.00 O ATOM 0 H SER A 11 8.451 7.626 -5.789 1.00 0.00 H new ATOM 0 HA SER A 11 8.055 10.480 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.528 10.172 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.203 9.031 -7.492 1.00 0.00 H new ATOM 0 HG SER A 11 6.566 11.177 -8.125 1.00 0.00 H new ATOM 158 N GLN A 12 5.766 10.149 -4.045 1.00 0.00 N ATOM 159 CA GLN A 12 4.466 9.957 -3.341 1.00 0.00 C ATOM 160 C GLN A 12 3.517 11.118 -3.780 1.00 0.00 C ATOM 161 O GLN A 12 3.782 12.287 -3.482 1.00 0.00 O ATOM 162 CB GLN A 12 4.765 9.890 -1.817 1.00 0.00 C ATOM 163 CG GLN A 12 3.607 9.343 -0.946 1.00 0.00 C ATOM 164 CD GLN A 12 3.950 8.846 0.470 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.534 7.768 0.890 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.659 9.599 1.276 1.00 0.00 N ATOM 0 H GLN A 12 6.155 11.085 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 12 3.954 9.029 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.644 9.264 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.021 10.890 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.857 10.129 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.141 8.519 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.016 10.498 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.854 9.286 2.227 1.00 0.00 H new ATOM 175 N GLU A 13 2.424 10.794 -4.495 1.00 0.00 N ATOM 176 CA GLU A 13 1.533 11.807 -5.128 1.00 0.00 C ATOM 177 C GLU A 13 0.483 12.431 -4.144 1.00 0.00 C ATOM 178 O GLU A 13 0.841 13.291 -3.334 1.00 0.00 O ATOM 179 CB GLU A 13 0.999 11.093 -6.407 1.00 0.00 C ATOM 180 CG GLU A 13 0.249 11.966 -7.443 1.00 0.00 C ATOM 181 CD GLU A 13 -0.463 11.131 -8.498 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.195 10.663 -9.452 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.683 10.913 -8.354 1.00 0.00 O ATOM 0 H GLU A 13 2.127 9.831 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 13 2.046 12.725 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.844 10.623 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.330 10.292 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.479 12.593 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.957 12.636 -7.931 1.00 0.00 H new ATOM 190 N ASN A 14 -0.797 12.009 -4.169 1.00 0.00 N ATOM 191 CA ASN A 14 -1.872 12.623 -3.335 1.00 0.00 C ATOM 192 C ASN A 14 -1.927 12.115 -1.854 1.00 0.00 C ATOM 193 O ASN A 14 -2.926 11.551 -1.400 1.00 0.00 O ATOM 194 CB ASN A 14 -3.221 12.451 -4.089 1.00 0.00 C ATOM 195 CG ASN A 14 -3.453 13.370 -5.291 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.648 14.571 -5.144 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.469 12.858 -6.498 1.00 0.00 N ATOM 0 H ASN A 14 -1.121 11.242 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.644 13.682 -3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.292 11.418 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.032 12.608 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.643 13.458 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.308 11.860 -6.631 1.00 0.00 H new ATOM 204 N PHE A 15 -0.858 12.367 -1.081 1.00 0.00 N ATOM 205 CA PHE A 15 -0.815 12.046 0.379 1.00 0.00 C ATOM 206 C PHE A 15 -1.643 13.078 1.226 1.00 0.00 C ATOM 207 O PHE A 15 -2.582 12.681 1.921 1.00 0.00 O ATOM 208 CB PHE A 15 0.676 11.899 0.785 1.00 0.00 C ATOM 209 CG PHE A 15 0.928 11.242 2.152 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.948 12.019 3.312 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.217 9.878 2.242 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.272 11.441 4.537 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.561 9.306 3.464 1.00 0.00 C ATOM 214 CZ PHE A 15 1.582 10.089 4.612 1.00 0.00 C ATOM 0 H PHE A 15 -0.001 12.794 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.309 11.098 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.187 11.314 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.133 12.888 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.711 13.071 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.173 9.262 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.282 12.046 5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.811 8.257 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.839 9.646 5.563 1.00 0.00 H new ATOM 224 N GLU A 16 -1.326 14.388 1.132 1.00 0.00 N ATOM 225 CA GLU A 16 -2.095 15.494 1.787 1.00 0.00 C ATOM 226 C GLU A 16 -3.641 15.501 1.524 1.00 0.00 C ATOM 227 O GLU A 16 -4.429 15.563 2.474 1.00 0.00 O ATOM 228 CB GLU A 16 -1.420 16.839 1.368 1.00 0.00 C ATOM 229 CG GLU A 16 -0.288 17.343 2.302 1.00 0.00 C ATOM 230 CD GLU A 16 -0.805 18.081 3.523 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.236 19.245 3.388 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.865 17.496 4.622 1.00 0.00 O ATOM 0 H GLU A 16 -0.524 14.721 0.597 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.045 15.337 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.013 16.722 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.190 17.609 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.312 16.493 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.372 18.003 1.739 1.00 0.00 H new ATOM 239 N ALA A 17 -4.067 15.415 0.248 1.00 0.00 N ATOM 240 CA ALA A 17 -5.501 15.305 -0.128 1.00 0.00 C ATOM 241 C ALA A 17 -6.235 14.006 0.356 1.00 0.00 C ATOM 242 O ALA A 17 -7.385 14.092 0.791 1.00 0.00 O ATOM 243 CB ALA A 17 -5.559 15.490 -1.657 1.00 0.00 C ATOM 0 H ALA A 17 -3.434 15.419 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.061 16.079 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.593 15.419 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.158 16.469 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.966 14.713 -2.140 1.00 0.00 H new ATOM 249 N PHE A 18 -5.586 12.824 0.305 1.00 0.00 N ATOM 250 CA PHE A 18 -6.168 11.547 0.813 1.00 0.00 C ATOM 251 C PHE A 18 -6.279 11.479 2.364 1.00 0.00 C ATOM 252 O PHE A 18 -7.376 11.239 2.869 1.00 0.00 O ATOM 253 CB PHE A 18 -5.358 10.381 0.182 1.00 0.00 C ATOM 254 CG PHE A 18 -5.897 8.954 0.395 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.533 8.239 1.541 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.674 8.325 -0.585 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.923 6.913 1.699 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.063 6.997 -0.426 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.684 6.293 0.714 1.00 0.00 C ATOM 0 H PHE A 18 -4.649 12.719 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.210 11.471 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.289 10.559 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.343 10.421 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.945 8.720 2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.973 8.871 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.635 6.366 2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.658 6.514 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.982 5.262 0.834 1.00 0.00 H new ATOM 269 N MET A 19 -5.181 11.697 3.112 1.00 0.00 N ATOM 270 CA MET A 19 -5.191 11.667 4.601 1.00 0.00 C ATOM 271 C MET A 19 -6.142 12.723 5.264 1.00 0.00 C ATOM 272 O MET A 19 -6.849 12.369 6.212 1.00 0.00 O ATOM 273 CB MET A 19 -3.736 11.696 5.120 1.00 0.00 C ATOM 274 CG MET A 19 -2.895 10.419 4.895 1.00 0.00 C ATOM 275 SD MET A 19 -2.693 10.058 3.137 1.00 0.00 S ATOM 276 CE MET A 19 -2.263 8.315 3.174 1.00 0.00 C ATOM 0 H MET A 19 -4.264 11.898 2.712 1.00 0.00 H new ATOM 0 HA MET A 19 -5.642 10.727 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.221 12.531 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.760 11.904 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.915 10.542 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.376 9.574 5.388 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.764 7.799 2.355 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.184 8.204 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.579 7.882 4.123 1.00 0.00 H new ATOM 286 N LYS A 20 -6.218 13.978 4.762 1.00 0.00 N ATOM 287 CA LYS A 20 -7.283 14.937 5.186 1.00 0.00 C ATOM 288 C LYS A 20 -8.732 14.480 4.776 1.00 0.00 C ATOM 289 O LYS A 20 -9.628 14.580 5.618 1.00 0.00 O ATOM 290 CB LYS A 20 -6.951 16.381 4.718 1.00 0.00 C ATOM 291 CG LYS A 20 -5.971 17.145 5.645 1.00 0.00 C ATOM 292 CD LYS A 20 -5.792 18.635 5.266 1.00 0.00 C ATOM 293 CE LYS A 20 -4.657 18.931 4.264 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.357 19.042 4.974 1.00 0.00 N ATOM 0 H LYS A 20 -5.567 14.353 4.072 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.290 14.941 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.524 16.336 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.879 16.948 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.331 17.081 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.999 16.652 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.729 19.001 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.607 19.204 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.605 18.138 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.867 19.857 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.674 19.545 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.490 19.568 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.995 18.090 5.187 1.00 0.00 H new ATOM 308 N ALA A 21 -8.982 13.957 3.549 1.00 0.00 N ATOM 309 CA ALA A 21 -10.305 13.376 3.175 1.00 0.00 C ATOM 310 C ALA A 21 -10.789 12.156 4.037 1.00 0.00 C ATOM 311 O ALA A 21 -11.980 12.080 4.350 1.00 0.00 O ATOM 312 CB ALA A 21 -10.255 13.033 1.674 1.00 0.00 C ATOM 0 H ALA A 21 -8.289 13.924 2.801 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.061 14.131 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.209 12.605 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.062 13.939 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.458 12.312 1.492 1.00 0.00 H new ATOM 318 N ILE A 22 -9.896 11.224 4.437 1.00 0.00 N ATOM 319 CA ILE A 22 -10.251 10.090 5.357 1.00 0.00 C ATOM 320 C ILE A 22 -10.252 10.438 6.898 1.00 0.00 C ATOM 321 O ILE A 22 -10.626 9.578 7.702 1.00 0.00 O ATOM 322 CB ILE A 22 -9.441 8.781 5.027 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.910 8.871 5.290 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.720 8.271 3.590 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.177 7.523 5.384 1.00 0.00 C ATOM 0 H ILE A 22 -8.919 11.224 4.143 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.301 9.889 5.142 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.818 8.050 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.455 9.458 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.750 9.418 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.140 7.366 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.782 8.050 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.434 9.038 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.117 7.697 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.596 6.937 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.297 6.977 4.448 1.00 0.00 H new ATOM 337 N GLY A 23 -9.845 11.651 7.321 1.00 0.00 N ATOM 338 CA GLY A 23 -9.868 12.083 8.745 1.00 0.00 C ATOM 339 C GLY A 23 -8.597 11.876 9.597 1.00 0.00 C ATOM 340 O GLY A 23 -8.713 11.388 10.723 1.00 0.00 O ATOM 0 H GLY A 23 -9.489 12.366 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.112 13.145 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.687 11.558 9.238 1.00 0.00 H new ATOM 344 N LEU A 24 -7.413 12.282 9.105 1.00 0.00 N ATOM 345 CA LEU A 24 -6.133 12.172 9.866 1.00 0.00 C ATOM 346 C LEU A 24 -5.504 13.565 10.267 1.00 0.00 C ATOM 347 O LEU A 24 -5.798 14.578 9.620 1.00 0.00 O ATOM 348 CB LEU A 24 -5.143 11.251 9.088 1.00 0.00 C ATOM 349 CG LEU A 24 -5.039 9.808 9.652 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.198 8.915 9.183 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.695 9.174 9.280 1.00 0.00 C ATOM 0 H LEU A 24 -7.305 12.694 8.178 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.356 11.708 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.455 11.200 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.153 11.707 9.102 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.106 9.886 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.081 7.916 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.144 9.341 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.193 8.853 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.645 8.164 9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.599 9.135 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.883 9.772 9.694 1.00 0.00 H new ATOM 363 N PRO A 25 -4.614 13.665 11.307 1.00 0.00 N ATOM 364 CA PRO A 25 -4.021 14.958 11.743 1.00 0.00 C ATOM 365 C PRO A 25 -2.868 15.506 10.862 1.00 0.00 C ATOM 366 O PRO A 25 -1.922 14.790 10.521 1.00 0.00 O ATOM 367 CB PRO A 25 -3.489 14.642 13.153 1.00 0.00 C ATOM 368 CG PRO A 25 -3.287 13.127 13.202 1.00 0.00 C ATOM 369 CD PRO A 25 -4.190 12.518 12.134 1.00 0.00 C ATOM 0 HA PRO A 25 -4.774 15.744 11.683 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.552 15.166 13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.195 14.966 13.917 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.244 12.872 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.539 12.737 14.188 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.656 11.776 11.540 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.047 12.013 12.580 1.00 0.00 H new ATOM 377 N GLU A 26 -2.900 16.820 10.602 1.00 0.00 N ATOM 378 CA GLU A 26 -1.858 17.527 9.812 1.00 0.00 C ATOM 379 C GLU A 26 -0.379 17.404 10.323 1.00 0.00 C ATOM 380 O GLU A 26 0.533 17.301 9.500 1.00 0.00 O ATOM 381 CB GLU A 26 -2.343 18.978 9.624 1.00 0.00 C ATOM 382 CG GLU A 26 -3.611 19.152 8.741 1.00 0.00 C ATOM 383 CD GLU A 26 -3.794 20.533 8.140 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.374 21.412 8.804 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.393 20.722 6.970 1.00 0.00 O ATOM 0 H GLU A 26 -3.647 17.432 10.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.762 17.021 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.544 19.405 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.533 19.559 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.574 18.423 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.489 18.916 9.343 1.00 0.00 H new ATOM 392 N GLU A 27 -0.158 17.368 11.652 1.00 0.00 N ATOM 393 CA GLU A 27 1.162 17.058 12.281 1.00 0.00 C ATOM 394 C GLU A 27 1.755 15.662 11.868 1.00 0.00 C ATOM 395 O GLU A 27 2.896 15.604 11.395 1.00 0.00 O ATOM 396 CB GLU A 27 0.957 17.274 13.809 1.00 0.00 C ATOM 397 CG GLU A 27 2.155 16.976 14.755 1.00 0.00 C ATOM 398 CD GLU A 27 2.252 15.553 15.298 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.243 15.025 15.809 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.354 14.967 15.252 1.00 0.00 O ATOM 0 H GLU A 27 -0.892 17.554 12.335 1.00 0.00 H new ATOM 0 HA GLU A 27 1.944 17.723 11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.660 18.311 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.119 16.652 14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.077 17.201 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.102 17.662 15.601 1.00 0.00 H new ATOM 407 N LEU A 28 0.988 14.556 11.986 1.00 0.00 N ATOM 408 CA LEU A 28 1.432 13.214 11.494 1.00 0.00 C ATOM 409 C LEU A 28 1.519 13.109 9.924 1.00 0.00 C ATOM 410 O LEU A 28 2.438 12.474 9.399 1.00 0.00 O ATOM 411 CB LEU A 28 0.568 12.072 12.105 1.00 0.00 C ATOM 412 CG LEU A 28 0.351 12.017 13.647 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.502 10.791 14.024 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.640 11.989 14.484 1.00 0.00 C ATOM 0 H LEU A 28 0.062 14.556 12.414 1.00 0.00 H new ATOM 0 HA LEU A 28 2.456 13.090 11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.416 12.121 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.017 11.126 11.804 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.157 12.951 13.887 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.645 10.766 15.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.472 10.857 13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.007 9.882 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.385 11.951 15.543 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.226 11.109 14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.224 12.887 14.283 1.00 0.00 H new ATOM 426 N ILE A 29 0.601 13.757 9.172 1.00 0.00 N ATOM 427 CA ILE A 29 0.639 13.845 7.674 1.00 0.00 C ATOM 428 C ILE A 29 1.935 14.580 7.173 1.00 0.00 C ATOM 429 O ILE A 29 2.643 14.049 6.314 1.00 0.00 O ATOM 430 CB ILE A 29 -0.688 14.457 7.089 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.969 13.688 7.520 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.686 14.529 5.539 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.299 14.434 7.292 1.00 0.00 C ATOM 0 H ILE A 29 -0.198 14.241 9.580 1.00 0.00 H new ATOM 0 HA ILE A 29 0.695 12.829 7.282 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.713 15.462 7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.005 12.743 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.886 13.444 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.626 14.959 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.143 15.153 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.574 13.526 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.128 13.810 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.295 15.366 7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.415 14.654 6.231 1.00 0.00 H new ATOM 445 N GLN A 30 2.261 15.765 7.730 1.00 0.00 N ATOM 446 CA GLN A 30 3.557 16.468 7.473 1.00 0.00 C ATOM 447 C GLN A 30 4.855 15.654 7.806 1.00 0.00 C ATOM 448 O GLN A 30 5.892 15.898 7.184 1.00 0.00 O ATOM 449 CB GLN A 30 3.513 17.858 8.180 1.00 0.00 C ATOM 450 CG GLN A 30 2.989 19.067 7.349 1.00 0.00 C ATOM 451 CD GLN A 30 1.877 18.846 6.313 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.124 18.857 5.111 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.656 18.613 6.724 1.00 0.00 N ATOM 0 H GLN A 30 1.644 16.268 8.368 1.00 0.00 H new ATOM 0 HA GLN A 30 3.642 16.594 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.889 17.764 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.521 18.095 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.634 19.819 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.842 19.498 6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.447 18.603 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.086 18.441 6.046 1.00 0.00 H new ATOM 462 N LYS A 31 4.800 14.689 8.742 1.00 0.00 N ATOM 463 CA LYS A 31 5.920 13.750 9.008 1.00 0.00 C ATOM 464 C LYS A 31 6.018 12.630 7.918 1.00 0.00 C ATOM 465 O LYS A 31 7.059 12.522 7.266 1.00 0.00 O ATOM 466 CB LYS A 31 5.739 13.185 10.440 1.00 0.00 C ATOM 467 CG LYS A 31 6.142 14.148 11.577 1.00 0.00 C ATOM 468 CD LYS A 31 5.723 13.573 12.939 1.00 0.00 C ATOM 469 CE LYS A 31 6.314 14.338 14.132 1.00 0.00 C ATOM 470 NZ LYS A 31 5.683 13.785 15.354 1.00 0.00 N ATOM 0 H LYS A 31 3.985 14.533 9.336 1.00 0.00 H new ATOM 0 HA LYS A 31 6.872 14.277 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.694 12.905 10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.328 12.272 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.220 14.311 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.671 15.119 11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.635 13.586 13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.034 12.530 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.397 14.219 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.114 15.406 14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.194 14.125 16.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.691 14.095 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.720 12.746 15.324 1.00 0.00 H new ATOM 484 N GLY A 32 4.962 11.818 7.697 1.00 0.00 N ATOM 485 CA GLY A 32 4.986 10.741 6.666 1.00 0.00 C ATOM 486 C GLY A 32 4.934 11.085 5.156 1.00 0.00 C ATOM 487 O GLY A 32 5.122 10.170 4.349 1.00 0.00 O ATOM 0 H GLY A 32 4.084 11.882 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.894 10.160 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.144 10.081 6.873 1.00 0.00 H new ATOM 491 N LYS A 33 4.693 12.346 4.754 1.00 0.00 N ATOM 492 CA LYS A 33 4.642 12.742 3.314 1.00 0.00 C ATOM 493 C LYS A 33 5.969 12.662 2.479 1.00 0.00 C ATOM 494 O LYS A 33 5.918 12.243 1.319 1.00 0.00 O ATOM 495 CB LYS A 33 3.952 14.130 3.191 1.00 0.00 C ATOM 496 CG LYS A 33 4.692 15.337 3.822 1.00 0.00 C ATOM 497 CD LYS A 33 4.050 16.706 3.537 1.00 0.00 C ATOM 498 CE LYS A 33 4.325 17.271 2.127 1.00 0.00 C ATOM 499 NZ LYS A 33 5.714 17.802 1.996 1.00 0.00 N ATOM 0 H LYS A 33 4.529 13.118 5.400 1.00 0.00 H new ATOM 0 HA LYS A 33 4.052 11.960 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.799 14.341 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.965 14.060 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.741 15.192 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.718 15.349 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.972 16.621 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.411 17.421 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.165 16.488 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.611 18.066 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.066 17.620 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.713 18.826 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.333 17.330 2.686 1.00 0.00 H new ATOM 513 N ASP A 34 7.123 13.056 3.049 1.00 0.00 N ATOM 514 CA ASP A 34 8.432 13.110 2.319 1.00 0.00 C ATOM 515 C ASP A 34 9.484 11.991 2.679 1.00 0.00 C ATOM 516 O ASP A 34 10.567 11.963 2.084 1.00 0.00 O ATOM 517 CB ASP A 34 9.043 14.526 2.544 1.00 0.00 C ATOM 518 CG ASP A 34 8.209 15.733 2.098 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.896 15.875 0.899 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.816 16.544 2.963 1.00 0.00 O ATOM 0 H ASP A 34 7.189 13.348 4.024 1.00 0.00 H new ATOM 0 HA ASP A 34 8.205 12.911 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.254 14.637 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.000 14.567 2.023 1.00 0.00 H new ATOM 525 N ILE A 35 9.199 11.055 3.610 1.00 0.00 N ATOM 526 CA ILE A 35 10.165 10.002 4.054 1.00 0.00 C ATOM 527 C ILE A 35 10.280 8.864 2.980 1.00 0.00 C ATOM 528 O ILE A 35 9.321 8.119 2.748 1.00 0.00 O ATOM 529 CB ILE A 35 9.773 9.468 5.489 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.830 10.568 6.597 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.643 8.264 5.954 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.110 10.229 7.917 1.00 0.00 C ATOM 0 H ILE A 35 8.296 11.000 4.081 1.00 0.00 H new ATOM 0 HA ILE A 35 11.160 10.438 4.143 1.00 0.00 H new ATOM 0 HB ILE A 35 8.741 9.140 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.876 10.779 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.399 11.485 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.323 7.946 6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.526 7.438 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.690 8.564 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.214 11.062 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.053 10.051 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.553 9.334 8.354 1.00 0.00 H new ATOM 544 N LYS A 36 11.477 8.682 2.382 1.00 0.00 N ATOM 545 CA LYS A 36 11.733 7.576 1.410 1.00 0.00 C ATOM 546 C LYS A 36 11.984 6.202 2.131 1.00 0.00 C ATOM 547 O LYS A 36 13.111 5.698 2.198 1.00 0.00 O ATOM 548 CB LYS A 36 12.914 7.959 0.471 1.00 0.00 C ATOM 549 CG LYS A 36 12.640 9.060 -0.583 1.00 0.00 C ATOM 550 CD LYS A 36 13.706 9.034 -1.703 1.00 0.00 C ATOM 551 CE LYS A 36 13.446 10.071 -2.807 1.00 0.00 C ATOM 552 NZ LYS A 36 14.329 9.793 -3.974 1.00 0.00 N ATOM 0 H LYS A 36 12.285 9.281 2.549 1.00 0.00 H new ATOM 0 HA LYS A 36 10.837 7.442 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.750 8.283 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.236 7.059 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.650 8.916 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.638 10.037 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.688 9.216 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.734 8.039 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.400 10.036 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.634 11.075 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.139 10.486 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.324 9.864 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.141 8.834 -4.331 1.00 0.00 H new ATOM 566 N GLY A 37 10.910 5.588 2.657 1.00 0.00 N ATOM 567 CA GLY A 37 11.000 4.293 3.382 1.00 0.00 C ATOM 568 C GLY A 37 10.904 3.016 2.515 1.00 0.00 C ATOM 569 O GLY A 37 10.664 3.054 1.307 1.00 0.00 O ATOM 0 H GLY A 37 9.963 5.963 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.946 4.269 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.205 4.262 4.127 1.00 0.00 H new ATOM 573 N VAL A 38 11.097 1.864 3.168 1.00 0.00 N ATOM 574 CA VAL A 38 11.031 0.524 2.506 1.00 0.00 C ATOM 575 C VAL A 38 9.566 -0.045 2.536 1.00 0.00 C ATOM 576 O VAL A 38 8.847 0.062 3.538 1.00 0.00 O ATOM 577 CB VAL A 38 12.092 -0.439 3.152 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.060 -1.884 2.597 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.554 0.050 2.981 1.00 0.00 C ATOM 0 H VAL A 38 11.303 1.817 4.166 1.00 0.00 H new ATOM 0 HA VAL A 38 11.288 0.619 1.451 1.00 0.00 H new ATOM 0 HB VAL A 38 11.798 -0.433 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.823 -2.482 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.079 -2.322 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.256 -1.866 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.233 -0.662 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.789 0.130 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.669 1.026 3.453 1.00 0.00 H new ATOM 589 N SER A 39 9.156 -0.667 1.422 1.00 0.00 N ATOM 590 CA SER A 39 7.858 -1.375 1.291 1.00 0.00 C ATOM 591 C SER A 39 8.165 -2.820 0.803 1.00 0.00 C ATOM 592 O SER A 39 8.360 -3.094 -0.385 1.00 0.00 O ATOM 593 CB SER A 39 6.938 -0.642 0.304 1.00 0.00 C ATOM 594 OG SER A 39 6.433 0.580 0.840 1.00 0.00 O ATOM 0 H SER A 39 9.718 -0.698 0.571 1.00 0.00 H new ATOM 0 HA SER A 39 7.337 -1.403 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.487 -0.434 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.104 -1.291 0.037 1.00 0.00 H new ATOM 0 HG SER A 39 5.495 0.690 0.577 1.00 0.00 H new ATOM 600 N GLU A 40 8.228 -3.747 1.757 1.00 0.00 N ATOM 601 CA GLU A 40 8.555 -5.171 1.490 1.00 0.00 C ATOM 602 C GLU A 40 7.340 -6.024 1.033 1.00 0.00 C ATOM 603 O GLU A 40 6.209 -5.796 1.469 1.00 0.00 O ATOM 604 CB GLU A 40 9.140 -5.734 2.809 1.00 0.00 C ATOM 605 CG GLU A 40 9.805 -7.132 2.747 1.00 0.00 C ATOM 606 CD GLU A 40 10.398 -7.565 4.075 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.635 -7.829 5.029 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.640 -7.633 4.171 1.00 0.00 O ATOM 0 H GLU A 40 8.056 -3.545 2.742 1.00 0.00 H new ATOM 0 HA GLU A 40 9.259 -5.223 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.879 -5.024 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.337 -5.774 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.065 -7.867 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.590 -7.122 1.991 1.00 0.00 H new ATOM 615 N ILE A 41 7.595 -7.026 0.178 1.00 0.00 N ATOM 616 CA ILE A 41 6.579 -8.048 -0.204 1.00 0.00 C ATOM 617 C ILE A 41 7.351 -9.406 -0.403 1.00 0.00 C ATOM 618 O ILE A 41 8.363 -9.458 -1.110 1.00 0.00 O ATOM 619 CB ILE A 41 5.736 -7.704 -1.491 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.085 -6.292 -1.532 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.629 -8.767 -1.745 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.586 -5.865 -2.925 1.00 0.00 C ATOM 0 H ILE A 41 8.501 -7.160 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 41 5.838 -8.096 0.594 1.00 0.00 H new ATOM 0 HB ILE A 41 6.487 -7.712 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.246 -6.271 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.811 -5.560 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.066 -8.500 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.089 -9.745 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.955 -8.802 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.146 -4.869 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.423 -5.850 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.834 -6.573 -3.275 1.00 0.00 H new ATOM 634 N VAL A 42 6.847 -10.510 0.181 1.00 0.00 N ATOM 635 CA VAL A 42 7.404 -11.885 -0.029 1.00 0.00 C ATOM 636 C VAL A 42 6.279 -12.714 -0.738 1.00 0.00 C ATOM 637 O VAL A 42 5.289 -13.092 -0.098 1.00 0.00 O ATOM 638 CB VAL A 42 7.883 -12.595 1.291 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.734 -13.853 0.993 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.683 -11.726 2.287 1.00 0.00 C ATOM 0 H VAL A 42 6.045 -10.488 0.811 1.00 0.00 H new ATOM 0 HA VAL A 42 8.307 -11.813 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 42 6.936 -12.844 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.044 -14.313 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.142 -14.565 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.616 -13.568 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.956 -12.326 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.586 -11.356 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.071 -10.883 2.607 1.00 0.00 H new ATOM 650 N GLN A 43 6.426 -13.018 -2.042 1.00 0.00 N ATOM 651 CA GLN A 43 5.399 -13.776 -2.815 1.00 0.00 C ATOM 652 C GLN A 43 5.477 -15.321 -2.570 1.00 0.00 C ATOM 653 O GLN A 43 6.375 -15.996 -3.083 1.00 0.00 O ATOM 654 CB GLN A 43 5.571 -13.377 -4.309 1.00 0.00 C ATOM 655 CG GLN A 43 4.502 -13.959 -5.274 1.00 0.00 C ATOM 656 CD GLN A 43 4.577 -13.491 -6.737 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.535 -12.882 -7.203 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.556 -13.780 -7.509 1.00 0.00 N ATOM 0 H GLN A 43 7.244 -12.754 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 43 4.396 -13.514 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.551 -12.290 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.556 -13.702 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.582 -15.046 -5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.516 -13.707 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.756 -14.286 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.562 -13.499 -8.489 1.00 0.00 H new ATOM 667 N ASN A 44 4.517 -15.881 -1.810 1.00 0.00 N ATOM 668 CA ASN A 44 4.450 -17.348 -1.522 1.00 0.00 C ATOM 669 C ASN A 44 3.157 -17.958 -2.170 1.00 0.00 C ATOM 670 O ASN A 44 2.229 -18.388 -1.473 1.00 0.00 O ATOM 671 CB ASN A 44 4.514 -17.584 0.019 1.00 0.00 C ATOM 672 CG ASN A 44 5.772 -17.119 0.760 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.746 -17.845 0.913 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.788 -15.911 1.269 1.00 0.00 N ATOM 0 H ASN A 44 3.766 -15.344 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 44 5.305 -17.858 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.656 -17.086 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.394 -18.652 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.605 -15.586 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.983 -15.296 1.149 1.00 0.00 H new ATOM 681 N GLY A 45 3.090 -17.991 -3.521 1.00 0.00 N ATOM 682 CA GLY A 45 1.892 -18.477 -4.267 1.00 0.00 C ATOM 683 C GLY A 45 0.651 -17.566 -4.108 1.00 0.00 C ATOM 684 O GLY A 45 0.525 -16.551 -4.793 1.00 0.00 O ATOM 0 H GLY A 45 3.853 -17.686 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.141 -18.556 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.642 -19.480 -3.922 1.00 0.00 H new ATOM 688 N LYS A 46 -0.249 -17.947 -3.191 1.00 0.00 N ATOM 689 CA LYS A 46 -1.400 -17.094 -2.779 1.00 0.00 C ATOM 690 C LYS A 46 -1.053 -16.092 -1.617 1.00 0.00 C ATOM 691 O LYS A 46 -1.614 -14.996 -1.606 1.00 0.00 O ATOM 692 CB LYS A 46 -2.597 -18.001 -2.367 1.00 0.00 C ATOM 693 CG LYS A 46 -3.289 -18.789 -3.509 1.00 0.00 C ATOM 694 CD LYS A 46 -4.376 -19.787 -3.026 1.00 0.00 C ATOM 695 CE LYS A 46 -5.856 -19.372 -3.188 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.233 -18.241 -2.301 1.00 0.00 N ATOM 0 H LYS A 46 -0.211 -18.846 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.665 -16.481 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.244 -18.716 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.346 -17.377 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.744 -18.080 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.531 -19.337 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.231 -20.726 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.199 -19.991 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.039 -19.092 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.495 -20.228 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.178 -18.413 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.540 -18.159 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.245 -17.358 -2.850 1.00 0.00 H new ATOM 710 N HIS A 47 -0.181 -16.448 -0.646 1.00 0.00 N ATOM 711 CA HIS A 47 0.146 -15.592 0.530 1.00 0.00 C ATOM 712 C HIS A 47 1.318 -14.602 0.246 1.00 0.00 C ATOM 713 O HIS A 47 2.472 -14.994 0.054 1.00 0.00 O ATOM 714 CB HIS A 47 0.470 -16.501 1.750 1.00 0.00 C ATOM 715 CG HIS A 47 -0.747 -17.180 2.377 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.194 -18.442 2.044 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.612 -16.597 3.316 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.317 -18.512 2.824 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.675 -17.444 3.608 1.00 0.00 N ATOM 0 H HIS A 47 0.319 -17.337 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.725 -14.975 0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.177 -17.269 1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.968 -15.901 2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.471 -15.620 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.921 -19.407 2.822 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.479 -17.311 4.221 1.00 0.00 H new ATOM 727 N PHE A 48 1.007 -13.303 0.251 1.00 0.00 N ATOM 728 CA PHE A 48 1.986 -12.219 -0.012 1.00 0.00 C ATOM 729 C PHE A 48 2.289 -11.505 1.341 1.00 0.00 C ATOM 730 O PHE A 48 1.470 -10.724 1.840 1.00 0.00 O ATOM 731 CB PHE A 48 1.370 -11.262 -1.064 1.00 0.00 C ATOM 732 CG PHE A 48 1.379 -11.664 -2.557 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.789 -12.847 -3.021 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.866 -10.743 -3.491 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.707 -13.109 -4.387 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.767 -10.997 -4.853 1.00 0.00 C ATOM 737 CZ PHE A 48 1.190 -12.177 -5.301 1.00 0.00 C ATOM 0 H PHE A 48 0.065 -12.961 0.438 1.00 0.00 H new ATOM 0 HA PHE A 48 2.928 -12.595 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.332 -11.088 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.888 -10.307 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.394 -13.562 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.323 -9.826 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.270 -14.033 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.140 -10.275 -5.565 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.116 -12.372 -6.361 1.00 0.00 H new ATOM 747 N LYS A 49 3.462 -11.778 1.938 1.00 0.00 N ATOM 748 CA LYS A 49 3.839 -11.217 3.271 1.00 0.00 C ATOM 749 C LYS A 49 4.514 -9.833 3.129 1.00 0.00 C ATOM 750 O LYS A 49 5.612 -9.739 2.574 1.00 0.00 O ATOM 751 CB LYS A 49 4.773 -12.190 4.039 1.00 0.00 C ATOM 752 CG LYS A 49 4.137 -13.547 4.392 1.00 0.00 C ATOM 753 CD LYS A 49 5.150 -14.567 4.955 1.00 0.00 C ATOM 754 CE LYS A 49 4.699 -16.038 4.871 1.00 0.00 C ATOM 755 NZ LYS A 49 3.517 -16.327 5.733 1.00 0.00 N ATOM 0 H LYS A 49 4.174 -12.383 1.528 1.00 0.00 H new ATOM 0 HA LYS A 49 2.920 -11.092 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.664 -12.367 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.101 -11.707 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.345 -13.390 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.669 -13.964 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.091 -14.459 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.350 -14.322 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.457 -16.281 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.525 -16.685 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.587 -17.296 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.491 -15.653 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.647 -16.234 5.171 1.00 0.00 H new ATOM 769 N PHE A 50 3.868 -8.774 3.634 1.00 0.00 N ATOM 770 CA PHE A 50 4.408 -7.390 3.529 1.00 0.00 C ATOM 771 C PHE A 50 4.975 -6.780 4.843 1.00 0.00 C ATOM 772 O PHE A 50 4.497 -7.061 5.946 1.00 0.00 O ATOM 773 CB PHE A 50 3.410 -6.452 2.783 1.00 0.00 C ATOM 774 CG PHE A 50 2.056 -5.993 3.384 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.931 -5.407 4.653 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.949 -5.984 2.535 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.724 -4.845 5.060 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.263 -5.440 2.943 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.375 -4.868 4.207 1.00 0.00 C ATOM 0 H PHE A 50 2.973 -8.837 4.120 1.00 0.00 H new ATOM 0 HA PHE A 50 5.304 -7.480 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.963 -5.544 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.176 -6.942 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.780 -5.392 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.035 -6.407 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.641 -4.392 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.116 -5.461 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.315 -4.442 4.526 1.00 0.00 H new ATOM 789 N THR A 51 5.969 -5.887 4.683 1.00 0.00 N ATOM 790 CA THR A 51 6.523 -5.065 5.805 1.00 0.00 C ATOM 791 C THR A 51 6.539 -3.596 5.259 1.00 0.00 C ATOM 792 O THR A 51 7.475 -3.195 4.557 1.00 0.00 O ATOM 793 CB THR A 51 7.910 -5.584 6.308 1.00 0.00 C ATOM 794 OG1 THR A 51 7.929 -7.000 6.486 1.00 0.00 O ATOM 795 CG2 THR A 51 8.363 -4.973 7.633 1.00 0.00 C ATOM 0 H THR A 51 6.416 -5.706 3.784 1.00 0.00 H new ATOM 0 HA THR A 51 5.912 -5.130 6.705 1.00 0.00 H new ATOM 0 HB THR A 51 8.592 -5.276 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.760 -7.365 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.333 -5.385 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.446 -3.891 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.634 -5.206 8.409 1.00 0.00 H new ATOM 803 N ILE A 52 5.486 -2.800 5.541 1.00 0.00 N ATOM 804 CA ILE A 52 5.294 -1.449 4.921 1.00 0.00 C ATOM 805 C ILE A 52 5.637 -0.296 5.913 1.00 0.00 C ATOM 806 O ILE A 52 5.178 -0.258 7.056 1.00 0.00 O ATOM 807 CB ILE A 52 3.842 -1.314 4.324 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.436 -2.432 3.316 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.539 0.062 3.670 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.331 -2.622 2.081 1.00 0.00 C ATOM 0 H ILE A 52 4.748 -3.061 6.195 1.00 0.00 H new ATOM 0 HA ILE A 52 5.999 -1.355 4.095 1.00 0.00 H new ATOM 0 HB ILE A 52 3.234 -1.422 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.401 -3.378 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.423 -2.224 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.519 0.066 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.650 0.851 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.236 0.236 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.935 -3.430 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.350 -1.700 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.343 -2.871 2.400 1.00 0.00 H new ATOM 822 N THR A 53 6.394 0.695 5.426 1.00 0.00 N ATOM 823 CA THR A 53 6.770 1.903 6.207 1.00 0.00 C ATOM 824 C THR A 53 5.757 3.066 5.951 1.00 0.00 C ATOM 825 O THR A 53 5.689 3.672 4.870 1.00 0.00 O ATOM 826 CB THR A 53 8.234 2.348 5.911 1.00 0.00 C ATOM 827 OG1 THR A 53 8.467 2.441 4.511 1.00 0.00 O ATOM 828 CG2 THR A 53 9.312 1.427 6.503 1.00 0.00 C ATOM 0 H THR A 53 6.769 0.691 4.478 1.00 0.00 H new ATOM 0 HA THR A 53 6.724 1.642 7.264 1.00 0.00 H new ATOM 0 HB THR A 53 8.322 3.320 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.828 1.591 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.299 1.812 6.248 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.205 1.392 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.197 0.423 6.094 1.00 0.00 H new ATOM 836 N ALA A 54 4.965 3.370 6.987 1.00 0.00 N ATOM 837 CA ALA A 54 4.043 4.535 7.010 1.00 0.00 C ATOM 838 C ALA A 54 4.706 5.726 7.771 1.00 0.00 C ATOM 839 O ALA A 54 4.316 6.093 8.885 1.00 0.00 O ATOM 840 CB ALA A 54 2.740 4.013 7.644 1.00 0.00 C ATOM 0 H ALA A 54 4.939 2.817 7.843 1.00 0.00 H new ATOM 0 HA ALA A 54 3.820 4.938 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.010 4.821 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.340 3.200 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.946 3.648 8.650 1.00 0.00 H new ATOM 846 N GLY A 55 5.741 6.319 7.143 1.00 0.00 N ATOM 847 CA GLY A 55 6.574 7.372 7.775 1.00 0.00 C ATOM 848 C GLY A 55 7.510 6.815 8.871 1.00 0.00 C ATOM 849 O GLY A 55 8.607 6.337 8.575 1.00 0.00 O ATOM 0 H GLY A 55 6.025 6.087 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.172 7.865 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.924 8.131 8.210 1.00 0.00 H new ATOM 853 N SER A 56 7.036 6.865 10.121 1.00 0.00 N ATOM 854 CA SER A 56 7.735 6.252 11.290 1.00 0.00 C ATOM 855 C SER A 56 7.237 4.805 11.649 1.00 0.00 C ATOM 856 O SER A 56 8.047 3.993 12.105 1.00 0.00 O ATOM 857 CB SER A 56 7.604 7.169 12.533 1.00 0.00 C ATOM 858 OG SER A 56 8.080 8.498 12.298 1.00 0.00 O ATOM 0 H SER A 56 6.160 7.327 10.366 1.00 0.00 H new ATOM 0 HA SER A 56 8.779 6.154 10.993 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.558 7.212 12.838 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.160 6.731 13.362 1.00 0.00 H new ATOM 0 HG SER A 56 7.512 9.138 12.776 1.00 0.00 H new ATOM 864 N LYS A 57 5.933 4.470 11.487 1.00 0.00 N ATOM 865 CA LYS A 57 5.385 3.137 11.861 1.00 0.00 C ATOM 866 C LYS A 57 5.640 2.026 10.787 1.00 0.00 C ATOM 867 O LYS A 57 5.346 2.191 9.598 1.00 0.00 O ATOM 868 CB LYS A 57 3.863 3.284 12.160 1.00 0.00 C ATOM 869 CG LYS A 57 3.236 2.048 12.861 1.00 0.00 C ATOM 870 CD LYS A 57 1.698 2.082 12.966 1.00 0.00 C ATOM 871 CE LYS A 57 1.160 0.808 13.650 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.323 0.768 13.593 1.00 0.00 N ATOM 0 H LYS A 57 5.237 5.106 11.098 1.00 0.00 H new ATOM 0 HA LYS A 57 5.918 2.802 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.709 4.162 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.335 3.465 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.530 1.150 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.654 1.965 13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.388 2.961 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.264 2.175 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.572 -0.075 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.490 0.780 14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.661 -0.135 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.713 1.554 14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.635 0.858 12.605 1.00 0.00 H new ATOM 886 N VAL A 58 6.120 0.860 11.251 1.00 0.00 N ATOM 887 CA VAL A 58 6.312 -0.346 10.392 1.00 0.00 C ATOM 888 C VAL A 58 5.004 -1.207 10.507 1.00 0.00 C ATOM 889 O VAL A 58 4.740 -1.828 11.542 1.00 0.00 O ATOM 890 CB VAL A 58 7.618 -1.113 10.796 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.849 -2.369 9.928 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.910 -0.264 10.693 1.00 0.00 C ATOM 0 H VAL A 58 6.388 0.716 12.225 1.00 0.00 H new ATOM 0 HA VAL A 58 6.460 -0.080 9.345 1.00 0.00 H new ATOM 0 HB VAL A 58 7.441 -1.376 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.765 -2.867 10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.007 -3.051 10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.938 -2.077 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.767 -0.868 10.990 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.043 0.074 9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.830 0.601 11.352 1.00 0.00 H new ATOM 902 N ILE A 59 4.185 -1.224 9.443 1.00 0.00 N ATOM 903 CA ILE A 59 2.889 -1.966 9.399 1.00 0.00 C ATOM 904 C ILE A 59 3.145 -3.300 8.626 1.00 0.00 C ATOM 905 O ILE A 59 3.259 -3.308 7.394 1.00 0.00 O ATOM 906 CB ILE A 59 1.750 -1.081 8.768 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.514 0.259 9.532 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.405 -1.854 8.671 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.593 1.273 8.834 1.00 0.00 C ATOM 0 H ILE A 59 4.393 -0.725 8.578 1.00 0.00 H new ATOM 0 HA ILE A 59 2.533 -2.204 10.401 1.00 0.00 H new ATOM 0 HB ILE A 59 2.105 -0.838 7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.094 0.028 10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.481 0.733 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.355 -1.208 8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.537 -2.737 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.088 -2.159 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.500 2.166 9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.017 1.544 7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.392 0.829 8.687 1.00 0.00 H new ATOM 921 N GLN A 60 3.218 -4.425 9.356 1.00 0.00 N ATOM 922 CA GLN A 60 3.479 -5.763 8.763 1.00 0.00 C ATOM 923 C GLN A 60 2.247 -6.715 8.892 1.00 0.00 C ATOM 924 O GLN A 60 1.765 -7.033 9.982 1.00 0.00 O ATOM 925 CB GLN A 60 4.820 -6.346 9.288 1.00 0.00 C ATOM 926 CG GLN A 60 4.948 -6.761 10.775 1.00 0.00 C ATOM 927 CD GLN A 60 4.958 -5.610 11.791 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.923 -5.127 12.238 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.108 -5.100 12.160 1.00 0.00 N ATOM 0 H GLN A 60 3.100 -4.442 10.369 1.00 0.00 H new ATOM 0 HA GLN A 60 3.612 -5.652 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.052 -7.223 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.596 -5.607 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.122 -7.429 11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.867 -7.334 10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.978 -5.490 11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.132 -4.314 12.809 1.00 0.00 H new ATOM 938 N ASN A 61 1.733 -7.133 7.731 1.00 0.00 N ATOM 939 CA ASN A 61 0.561 -8.052 7.597 1.00 0.00 C ATOM 940 C ASN A 61 0.745 -8.910 6.291 1.00 0.00 C ATOM 941 O ASN A 61 1.559 -8.584 5.417 1.00 0.00 O ATOM 942 CB ASN A 61 -0.786 -7.262 7.548 1.00 0.00 C ATOM 943 CG ASN A 61 -1.293 -6.614 8.841 1.00 0.00 C ATOM 944 OD1 ASN A 61 -2.025 -7.207 9.627 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.971 -5.367 9.085 1.00 0.00 N ATOM 0 H ASN A 61 2.116 -6.845 6.831 1.00 0.00 H new ATOM 0 HA ASN A 61 0.517 -8.703 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.684 -6.476 6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.559 -7.943 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.328 -4.902 9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.363 -4.862 8.440 1.00 0.00 H new ATOM 952 N GLU A 62 -0.008 -10.019 6.135 1.00 0.00 N ATOM 953 CA GLU A 62 0.061 -10.867 4.908 1.00 0.00 C ATOM 954 C GLU A 62 -1.315 -11.002 4.196 1.00 0.00 C ATOM 955 O GLU A 62 -2.332 -11.314 4.827 1.00 0.00 O ATOM 956 CB GLU A 62 0.782 -12.209 5.185 1.00 0.00 C ATOM 957 CG GLU A 62 0.060 -13.346 5.950 1.00 0.00 C ATOM 958 CD GLU A 62 0.939 -14.581 6.069 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.152 -15.287 5.057 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.508 -14.826 7.152 1.00 0.00 O ATOM 0 H GLU A 62 -0.670 -10.354 6.835 1.00 0.00 H new ATOM 0 HA GLU A 62 0.685 -10.350 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.089 -12.614 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.692 -11.977 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.217 -12.998 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.864 -13.604 5.433 1.00 0.00 H new ATOM 967 N PHE A 63 -1.339 -10.757 2.873 1.00 0.00 N ATOM 968 CA PHE A 63 -2.577 -10.862 2.055 1.00 0.00 C ATOM 969 C PHE A 63 -2.641 -12.157 1.204 1.00 0.00 C ATOM 970 O PHE A 63 -1.685 -12.555 0.533 1.00 0.00 O ATOM 971 CB PHE A 63 -2.873 -9.584 1.236 1.00 0.00 C ATOM 972 CG PHE A 63 -1.897 -9.174 0.121 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.789 -8.379 0.416 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.128 -9.568 -1.202 1.00 0.00 C ATOM 975 CE1 PHE A 63 0.068 -7.964 -0.600 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.283 -9.133 -2.220 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.190 -8.325 -1.916 1.00 0.00 C ATOM 0 H PHE A 63 -0.514 -10.483 2.339 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.392 -10.946 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.858 -9.702 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.941 -8.752 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.595 -8.084 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.964 -10.211 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.933 -7.362 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.475 -9.422 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.459 -7.978 -2.706 1.00 0.00 H new ATOM 987 N THR A 64 -3.823 -12.777 1.215 1.00 0.00 N ATOM 988 CA THR A 64 -4.094 -14.031 0.474 1.00 0.00 C ATOM 989 C THR A 64 -4.845 -13.663 -0.844 1.00 0.00 C ATOM 990 O THR A 64 -5.963 -13.141 -0.821 1.00 0.00 O ATOM 991 CB THR A 64 -4.887 -15.022 1.384 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.305 -15.133 2.681 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.944 -16.448 0.822 1.00 0.00 C ATOM 0 H THR A 64 -4.628 -12.430 1.737 1.00 0.00 H new ATOM 0 HA THR A 64 -3.171 -14.543 0.201 1.00 0.00 H new ATOM 0 HB THR A 64 -5.889 -14.596 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.942 -16.035 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.509 -17.085 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.432 -16.436 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.932 -16.838 0.716 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.237 -13.938 -2.010 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.865 -13.656 -3.341 1.00 0.00 C ATOM 1003 C VAL A 65 -5.959 -14.742 -3.610 1.00 0.00 C ATOM 1004 O VAL A 65 -5.655 -15.940 -3.678 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.765 -13.575 -4.452 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.281 -13.468 -5.908 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.782 -12.396 -4.251 1.00 0.00 C ATOM 0 H VAL A 65 -3.309 -14.356 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.359 -12.685 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.269 -14.538 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.433 -13.418 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.887 -14.343 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.886 -12.568 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.045 -12.396 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.334 -11.456 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.274 -12.505 -3.293 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.231 -14.326 -3.724 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.371 -15.277 -3.887 1.00 0.00 C ATOM 1019 C GLY A 66 -9.129 -15.771 -2.623 1.00 0.00 C ATOM 1020 O GLY A 66 -10.186 -16.375 -2.792 1.00 0.00 O ATOM 0 H GLY A 66 -7.507 -13.344 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.101 -14.805 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.993 -16.156 -4.409 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.610 -15.557 -1.398 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.336 -15.862 -0.124 1.00 0.00 C ATOM 1026 C GLU A 67 -9.174 -14.691 0.908 1.00 0.00 C ATOM 1027 O GLU A 67 -8.216 -13.914 0.853 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.848 -17.220 0.463 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.448 -18.493 -0.193 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.920 -18.795 0.077 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.617 -18.018 0.766 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.377 -19.844 -0.420 1.00 0.00 O ATOM 0 H GLU A 67 -7.678 -15.169 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.400 -15.954 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.763 -17.265 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.080 -17.239 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.313 -18.412 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.862 -19.351 0.138 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.114 -14.556 1.866 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.127 -13.440 2.862 1.00 0.00 C ATOM 1041 C GLU A 68 -8.807 -13.155 3.670 1.00 0.00 C ATOM 1042 O GLU A 68 -8.172 -14.066 4.211 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.362 -13.565 3.797 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.403 -14.798 4.741 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.944 -14.540 6.139 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.106 -14.116 6.296 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.185 -14.713 7.116 1.00 0.00 O ATOM 0 H GLU A 68 -10.888 -15.211 1.979 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.200 -12.547 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.416 -12.666 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.258 -13.582 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.012 -15.571 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.393 -15.198 4.830 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.413 -11.870 3.744 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.193 -11.433 4.473 1.00 0.00 C ATOM 1056 C CYS A 69 -7.380 -10.060 5.179 1.00 0.00 C ATOM 1057 O CYS A 69 -7.651 -9.029 4.555 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.969 -11.414 3.542 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.328 -10.673 1.909 1.00 0.00 S ATOM 0 H CYS A 69 -8.924 -11.104 3.305 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.016 -12.168 5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.164 -10.855 4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.610 -12.433 3.402 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.021 -9.585 2.069 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.189 -10.081 6.505 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.318 -8.888 7.387 1.00 0.00 C ATOM 1067 C GLU A 70 -6.035 -7.995 7.407 1.00 0.00 C ATOM 1068 O GLU A 70 -4.964 -8.426 7.845 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.832 -9.298 8.793 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.019 -10.376 9.539 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.467 -10.631 10.964 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.601 -11.116 11.162 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.675 -10.350 11.891 1.00 0.00 O ATOM 0 H GLU A 70 -6.938 -10.930 7.011 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.078 -8.236 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.866 -8.405 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.857 -9.655 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.080 -11.310 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.970 -10.079 9.549 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.161 -6.738 6.947 1.00 0.00 N ATOM 1081 CA LEU A 71 -5.019 -5.782 6.842 1.00 0.00 C ATOM 1082 C LEU A 71 -5.335 -4.444 7.585 1.00 0.00 C ATOM 1083 O LEU A 71 -6.447 -3.914 7.489 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.703 -5.500 5.340 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.451 -6.706 4.390 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.215 -6.206 2.958 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.274 -7.598 4.820 1.00 0.00 C ATOM 0 H LEU A 71 -7.050 -6.347 6.636 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.148 -6.234 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.533 -4.924 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.822 -4.860 5.302 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.348 -7.323 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.039 -7.057 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.092 -5.657 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.346 -5.549 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.160 -8.417 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.359 -7.007 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.468 -8.003 5.813 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.356 -3.868 8.308 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.542 -2.569 9.026 1.00 0.00 C ATOM 1101 C GLU A 72 -4.703 -1.339 8.061 1.00 0.00 C ATOM 1102 O GLU A 72 -4.053 -1.207 7.018 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.334 -2.399 9.991 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.480 -1.251 11.026 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.218 -0.923 11.801 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.438 -0.053 11.353 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.012 -1.460 12.909 1.00 0.00 O ATOM 0 H GLU A 72 -3.426 -4.272 8.417 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.479 -2.597 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.182 -3.335 10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.436 -2.222 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.813 -0.353 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.264 -1.518 11.734 1.00 0.00 H new ATOM 1114 N THR A 73 -5.607 -0.445 8.467 1.00 0.00 N ATOM 1115 CA THR A 73 -5.948 0.815 7.751 1.00 0.00 C ATOM 1116 C THR A 73 -5.526 2.075 8.576 1.00 0.00 C ATOM 1117 O THR A 73 -5.277 2.032 9.785 1.00 0.00 O ATOM 1118 CB THR A 73 -7.478 0.786 7.398 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.922 2.014 6.828 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.447 0.490 8.552 1.00 0.00 C ATOM 0 H THR A 73 -6.144 -0.568 9.325 1.00 0.00 H new ATOM 0 HA THR A 73 -5.384 0.885 6.821 1.00 0.00 H new ATOM 0 HB THR A 73 -7.516 -0.049 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.613 2.409 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.471 0.498 8.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.222 -0.490 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.336 1.251 9.324 1.00 0.00 H new ATOM 1128 N MET A 74 -5.478 3.224 7.883 1.00 0.00 N ATOM 1129 CA MET A 74 -5.265 4.555 8.536 1.00 0.00 C ATOM 1130 C MET A 74 -6.541 4.994 9.328 1.00 0.00 C ATOM 1131 O MET A 74 -6.472 5.171 10.546 1.00 0.00 O ATOM 1132 CB MET A 74 -4.791 5.606 7.494 1.00 0.00 C ATOM 1133 CG MET A 74 -3.311 5.510 7.092 1.00 0.00 C ATOM 1134 SD MET A 74 -2.260 5.806 8.530 1.00 0.00 S ATOM 1135 CE MET A 74 -1.508 4.184 8.727 1.00 0.00 C ATOM 0 H MET A 74 -5.582 3.273 6.870 1.00 0.00 H new ATOM 0 HA MET A 74 -4.465 4.471 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.402 5.505 6.597 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.978 6.602 7.896 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.102 4.525 6.675 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.089 6.239 6.313 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.827 4.199 9.578 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.286 3.440 8.898 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.954 3.928 7.824 1.00 0.00 H new ATOM 1145 N THR A 75 -7.695 5.144 8.649 1.00 0.00 N ATOM 1146 CA THR A 75 -9.006 5.358 9.320 1.00 0.00 C ATOM 1147 C THR A 75 -9.702 3.957 9.383 1.00 0.00 C ATOM 1148 O THR A 75 -9.924 3.301 8.353 1.00 0.00 O ATOM 1149 CB THR A 75 -9.874 6.414 8.581 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.160 7.638 8.444 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.185 6.774 9.300 1.00 0.00 C ATOM 0 H THR A 75 -7.752 5.122 7.631 1.00 0.00 H new ATOM 0 HA THR A 75 -8.868 5.764 10.322 1.00 0.00 H new ATOM 0 HB THR A 75 -10.108 5.946 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.778 8.391 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.728 7.517 8.716 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.798 5.879 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.959 7.182 10.285 1.00 0.00 H new ATOM 1159 N GLY A 76 -10.009 3.503 10.604 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.708 2.214 10.835 1.00 0.00 C ATOM 1161 C GLY A 76 -10.137 1.313 11.945 1.00 0.00 C ATOM 1162 O GLY A 76 -10.188 1.678 13.121 1.00 0.00 O ATOM 0 H GLY A 76 -9.785 4.009 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.750 2.429 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.703 1.651 9.902 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.653 0.116 11.566 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.296 -0.970 12.517 1.00 0.00 C ATOM 1168 C GLU A 77 -8.443 -2.048 11.775 1.00 0.00 C ATOM 1169 O GLU A 77 -7.211 -2.050 11.847 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.540 -1.486 13.322 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.741 -2.172 12.608 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.365 -1.490 11.392 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.914 -1.742 10.251 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.311 -0.691 11.544 1.00 0.00 O ATOM 0 H GLU A 77 -9.495 -0.133 10.589 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.653 -0.589 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.167 -2.192 14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.941 -0.632 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.416 -3.165 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.529 -2.311 13.348 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.111 -2.946 11.038 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.487 -4.045 10.268 1.00 0.00 C ATOM 1183 C LYS A 78 -9.523 -4.534 9.212 1.00 0.00 C ATOM 1184 O LYS A 78 -10.563 -5.110 9.550 1.00 0.00 O ATOM 1185 CB LYS A 78 -8.006 -5.181 11.221 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.672 -5.793 10.766 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.209 -6.936 11.688 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.858 -7.532 11.258 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.613 -8.776 12.031 1.00 0.00 N ATOM 0 H LYS A 78 -10.128 -2.933 10.955 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.594 -3.701 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.897 -4.784 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.766 -5.961 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.776 -6.169 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.908 -5.016 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.129 -6.564 12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.964 -7.722 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.864 -7.747 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.056 -6.815 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.635 -9.095 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.759 -8.590 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.273 -9.516 11.716 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.237 -4.288 7.928 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.174 -4.579 6.810 1.00 0.00 C ATOM 1205 C VAL A 79 -9.900 -5.953 6.123 1.00 0.00 C ATOM 1206 O VAL A 79 -8.767 -6.238 5.718 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.148 -3.353 5.835 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.850 -3.128 5.030 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.329 -3.352 4.848 1.00 0.00 C ATOM 0 H VAL A 79 -8.352 -3.882 7.623 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.187 -4.699 7.193 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.222 -2.524 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.963 -2.249 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.018 -2.974 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.651 -4.001 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.259 -2.480 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.299 -4.259 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.267 -3.317 5.403 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.947 -6.789 5.958 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.833 -8.068 5.195 1.00 0.00 C ATOM 1221 C LYS A 80 -11.003 -7.775 3.668 1.00 0.00 C ATOM 1222 O LYS A 80 -12.103 -7.790 3.110 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.772 -9.162 5.773 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.229 -9.781 7.085 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.967 -11.052 7.539 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.305 -11.698 8.776 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.894 -13.044 8.991 1.00 0.00 N ATOM 0 H LYS A 80 -11.877 -6.611 6.336 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.837 -8.496 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.755 -8.730 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.905 -9.950 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.173 -10.016 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.292 -9.036 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.003 -10.806 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.985 -11.772 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.228 -11.777 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.461 -11.074 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.845 -13.287 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.887 -13.041 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.362 -13.748 8.440 1.00 0.00 H new ATOM 1241 N THR A 81 -9.864 -7.480 3.026 1.00 0.00 N ATOM 1242 CA THR A 81 -9.777 -7.029 1.611 1.00 0.00 C ATOM 1243 C THR A 81 -9.065 -8.119 0.754 1.00 0.00 C ATOM 1244 O THR A 81 -7.842 -8.278 0.820 1.00 0.00 O ATOM 1245 CB THR A 81 -9.072 -5.629 1.610 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.098 -5.024 0.325 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.610 -5.596 2.097 1.00 0.00 C ATOM 0 H THR A 81 -8.952 -7.547 3.477 1.00 0.00 H new ATOM 0 HA THR A 81 -10.756 -6.903 1.149 1.00 0.00 H new ATOM 0 HB THR A 81 -9.667 -5.077 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.652 -5.610 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.234 -4.574 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.561 -5.953 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.000 -6.237 1.461 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.815 -8.885 -0.061 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.196 -9.915 -0.954 1.00 0.00 C ATOM 1257 C VAL A 82 -8.628 -9.246 -2.246 1.00 0.00 C ATOM 1258 O VAL A 82 -9.237 -8.345 -2.838 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.078 -11.182 -1.184 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.273 -11.063 -2.140 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.245 -12.338 -1.753 1.00 0.00 C ATOM 0 H VAL A 82 -10.831 -8.822 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.341 -10.339 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.469 -11.343 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.789 -12.021 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.961 -10.303 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.919 -10.781 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.885 -13.208 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.810 -12.038 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.448 -12.590 -1.054 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.429 -9.676 -2.649 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.689 -9.069 -3.787 1.00 0.00 C ATOM 1273 C VAL A 83 -6.739 -10.030 -5.020 1.00 0.00 C ATOM 1274 O VAL A 83 -6.483 -11.231 -4.896 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.234 -8.687 -3.332 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.549 -7.766 -4.359 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.097 -7.977 -1.955 1.00 0.00 C ATOM 0 H VAL A 83 -6.936 -10.451 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.161 -8.139 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.760 -9.665 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.544 -7.520 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.488 -8.275 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.129 -6.850 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.046 -7.767 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.657 -7.042 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.492 -8.624 -1.171 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.082 -9.504 -6.208 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.093 -10.286 -7.481 1.00 0.00 C ATOM 1289 C GLN A 84 -5.853 -9.895 -8.344 1.00 0.00 C ATOM 1290 O GLN A 84 -5.506 -8.716 -8.477 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.423 -10.058 -8.252 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.636 -10.938 -7.847 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.136 -10.821 -6.401 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.732 -9.833 -5.989 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.923 -11.830 -5.590 1.00 0.00 N ATOM 0 H GLN A 84 -7.360 -8.530 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.031 -11.350 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.708 -9.013 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.230 -10.216 -9.313 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.465 -10.696 -8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.374 -11.980 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.428 -12.657 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.253 -11.788 -4.626 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.206 -10.905 -8.944 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.956 -10.733 -9.722 1.00 0.00 C ATOM 1306 C LEU A 85 -4.142 -10.988 -11.253 1.00 0.00 C ATOM 1307 O LEU A 85 -4.599 -12.060 -11.661 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.926 -11.708 -9.076 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.515 -11.757 -9.710 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.799 -10.395 -9.706 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.640 -12.803 -8.998 1.00 0.00 C ATOM 0 H LEU A 85 -5.531 -11.871 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.612 -9.700 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.817 -11.439 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.346 -12.713 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.661 -12.039 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.184 -10.500 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.388 -9.673 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.686 -10.047 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.348 -12.824 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.545 -12.542 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.102 -13.786 -9.088 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.724 -10.017 -12.085 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.683 -10.169 -13.568 1.00 0.00 C ATOM 1325 C GLU A 86 -2.189 -10.180 -14.047 1.00 0.00 C ATOM 1326 O GLU A 86 -1.385 -9.298 -13.711 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.494 -9.033 -14.238 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.763 -9.186 -15.758 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.331 -7.931 -16.408 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.550 -7.694 -16.294 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.557 -7.180 -17.040 1.00 0.00 O ATOM 0 H GLU A 86 -3.404 -9.105 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.140 -11.114 -13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.453 -8.950 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.965 -8.094 -14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.832 -9.454 -16.258 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.457 -10.012 -15.914 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.835 -11.218 -14.822 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.479 -11.378 -15.443 1.00 0.00 C ATOM 1340 C GLY A 87 0.827 -11.331 -14.615 1.00 0.00 C ATOM 1341 O GLY A 87 1.875 -10.962 -15.145 1.00 0.00 O ATOM 0 H GLY A 87 -2.473 -11.982 -15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.485 -12.337 -15.961 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.392 -10.604 -16.206 1.00 0.00 H new ATOM 1345 N ASP A 88 0.746 -11.703 -13.335 1.00 0.00 N ATOM 1346 CA ASP A 88 1.859 -11.548 -12.341 1.00 0.00 C ATOM 1347 C ASP A 88 2.387 -10.072 -12.112 1.00 0.00 C ATOM 1348 O ASP A 88 3.526 -9.860 -11.685 1.00 0.00 O ATOM 1349 CB ASP A 88 2.943 -12.652 -12.527 1.00 0.00 C ATOM 1350 CG ASP A 88 3.817 -12.946 -11.298 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.291 -12.984 -10.162 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.035 -13.166 -11.468 1.00 0.00 O ATOM 0 H ASP A 88 -0.093 -12.126 -12.937 1.00 0.00 H new ATOM 0 HA ASP A 88 1.418 -11.732 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.446 -13.575 -12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.594 -12.360 -13.351 1.00 0.00 H new ATOM 1357 N ASN A 89 1.542 -9.040 -12.340 1.00 0.00 N ATOM 1358 CA ASN A 89 1.922 -7.611 -12.145 1.00 0.00 C ATOM 1359 C ASN A 89 0.801 -6.650 -11.630 1.00 0.00 C ATOM 1360 O ASN A 89 1.151 -5.670 -10.972 1.00 0.00 O ATOM 1361 CB ASN A 89 2.697 -7.059 -13.374 1.00 0.00 C ATOM 1362 CG ASN A 89 1.900 -6.516 -14.572 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.944 -7.106 -15.062 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.264 -5.356 -15.067 1.00 0.00 N ATOM 0 H ASN A 89 0.583 -9.167 -12.662 1.00 0.00 H new ATOM 0 HA ASN A 89 2.602 -7.628 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.348 -6.259 -13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.343 -7.856 -13.742 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.753 -4.954 -15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.058 -4.857 -14.666 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.497 -6.868 -11.919 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.591 -5.950 -11.481 1.00 0.00 C ATOM 1373 C LYS A 90 -2.396 -6.569 -10.296 1.00 0.00 C ATOM 1374 O LYS A 90 -3.143 -7.535 -10.483 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.543 -5.680 -12.676 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.965 -4.957 -13.915 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.894 -5.121 -15.137 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.331 -4.620 -16.478 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.330 -3.133 -16.554 1.00 0.00 N ATOM 0 H LYS A 90 -0.824 -7.672 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.147 -5.014 -11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.945 -6.638 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.383 -5.091 -12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.834 -3.898 -13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.979 -5.359 -14.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.143 -6.177 -15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.825 -4.592 -14.935 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.315 -4.992 -16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.925 -5.026 -17.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.808 -2.829 -17.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.309 -2.788 -16.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.872 -2.742 -15.706 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.268 -5.995 -9.091 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.009 -6.447 -7.880 1.00 0.00 C ATOM 1395 C LEU A 91 -4.173 -5.454 -7.562 1.00 0.00 C ATOM 1396 O LEU A 91 -3.930 -4.293 -7.217 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.010 -6.535 -6.695 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.071 -7.764 -6.634 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.036 -7.529 -5.526 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.796 -9.092 -6.353 1.00 0.00 C ATOM 0 H LEU A 91 -1.650 -5.203 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.450 -7.429 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.389 -5.639 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.585 -6.506 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.612 -7.860 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.636 -8.386 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.540 -6.631 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.547 -7.403 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.070 -9.904 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.308 -9.031 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.524 -9.283 -7.141 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.435 -5.909 -7.650 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.635 -5.037 -7.436 1.00 0.00 C ATOM 1414 C VAL A 92 -7.474 -5.488 -6.192 1.00 0.00 C ATOM 1415 O VAL A 92 -7.821 -6.668 -6.072 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.497 -4.906 -8.743 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.736 -4.238 -9.912 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.145 -6.209 -9.268 1.00 0.00 C ATOM 0 H VAL A 92 -5.666 -6.878 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.274 -4.035 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.307 -4.263 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.388 -4.178 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.428 -3.234 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.855 -4.830 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.714 -5.994 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.366 -6.937 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.812 -6.615 -8.508 1.00 0.00 H new ATOM 1428 N THR A 93 -7.826 -4.559 -5.272 1.00 0.00 N ATOM 1429 CA THR A 93 -8.663 -4.886 -4.070 1.00 0.00 C ATOM 1430 C THR A 93 -9.707 -3.771 -3.706 1.00 0.00 C ATOM 1431 O THR A 93 -9.704 -2.651 -4.237 1.00 0.00 O ATOM 1432 CB THR A 93 -7.774 -5.370 -2.876 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.565 -6.097 -1.940 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.999 -4.302 -2.084 1.00 0.00 C ATOM 0 H THR A 93 -7.550 -3.579 -5.329 1.00 0.00 H new ATOM 0 HA THR A 93 -9.294 -5.734 -4.335 1.00 0.00 H new ATOM 0 HB THR A 93 -7.016 -5.973 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.080 -6.785 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.428 -4.782 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.318 -3.776 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.701 -3.591 -1.648 1.00 0.00 H new ATOM 1442 N THR A 94 -10.657 -4.134 -2.829 1.00 0.00 N ATOM 1443 CA THR A 94 -11.715 -3.219 -2.301 1.00 0.00 C ATOM 1444 C THR A 94 -11.434 -3.038 -0.773 1.00 0.00 C ATOM 1445 O THR A 94 -11.741 -3.921 0.034 1.00 0.00 O ATOM 1446 CB THR A 94 -13.134 -3.807 -2.590 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.334 -4.059 -3.978 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.290 -2.886 -2.169 1.00 0.00 C ATOM 0 H THR A 94 -10.724 -5.080 -2.454 1.00 0.00 H new ATOM 0 HA THR A 94 -11.692 -2.245 -2.791 1.00 0.00 H new ATOM 0 HB THR A 94 -13.152 -4.723 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.948 -3.390 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.241 -3.365 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.233 -2.697 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.218 -1.942 -2.708 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.853 -1.891 -0.387 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.419 -1.624 1.016 1.00 0.00 C ATOM 1458 C PHE A 95 -11.582 -0.977 1.866 1.00 0.00 C ATOM 1459 O PHE A 95 -12.727 -1.436 1.795 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.104 -0.799 0.811 1.00 0.00 C ATOM 1461 CG PHE A 95 -8.055 -0.847 1.924 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.176 -1.931 1.967 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.907 0.193 2.848 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.218 -2.021 2.973 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.933 0.114 3.839 1.00 0.00 C ATOM 1466 CZ PHE A 95 -6.106 -1.005 3.917 1.00 0.00 C ATOM 0 H PHE A 95 -10.666 -1.119 -1.026 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.203 -2.498 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.632 -1.142 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.382 0.244 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.240 -2.704 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.550 1.059 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.563 -2.878 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.818 0.920 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.378 -1.084 4.711 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.332 0.069 2.685 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.406 0.804 3.430 1.00 0.00 C ATOM 1478 C LYS A 96 -13.040 1.868 2.465 1.00 0.00 C ATOM 1479 O LYS A 96 -12.684 3.049 2.499 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.812 1.479 4.704 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.188 0.592 5.808 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.147 -0.210 6.718 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.979 0.631 7.706 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.572 -0.264 8.740 1.00 0.00 N ATOM 0 H LYS A 96 -10.394 0.433 2.854 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.180 0.111 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.046 2.182 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.607 2.066 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.513 -0.116 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.578 1.231 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.830 -0.778 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.562 -0.933 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.350 1.385 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.768 1.163 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.853 0.300 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.408 -0.742 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.870 -0.975 9.028 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.943 1.436 1.558 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.507 2.287 0.465 1.00 0.00 C ATOM 1500 C ASN A 97 -13.454 2.942 -0.519 1.00 0.00 C ATOM 1501 O ASN A 97 -13.675 4.025 -1.067 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.566 3.266 1.043 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.769 2.646 1.771 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.736 2.373 2.965 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.862 2.398 1.089 1.00 0.00 N ATOM 0 H ASN A 97 -14.309 0.484 1.556 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.020 1.611 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.062 3.939 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.945 3.877 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.670 1.983 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.904 2.620 0.094 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.327 2.246 -0.769 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.191 2.733 -1.607 1.00 0.00 C ATOM 1514 C ILE A 98 -10.829 1.567 -2.587 1.00 0.00 C ATOM 1515 O ILE A 98 -10.592 0.428 -2.158 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.953 3.120 -0.707 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.209 4.202 0.390 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.710 3.559 -1.527 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.496 3.918 1.724 1.00 0.00 C ATOM 0 H ILE A 98 -12.169 1.312 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.468 3.632 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.763 2.176 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.882 5.171 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.281 4.275 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.896 3.811 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.398 2.744 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.962 4.431 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.722 4.713 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.840 2.965 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.419 3.875 1.559 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.742 1.847 -3.900 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.292 0.834 -4.894 1.00 0.00 C ATOM 1533 C LYS A 99 -8.738 0.938 -5.052 1.00 0.00 C ATOM 1534 O LYS A 99 -8.220 1.850 -5.711 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.106 1.007 -6.202 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.865 -0.097 -7.271 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.110 -0.929 -7.659 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.776 -1.760 -6.541 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.917 -2.886 -6.085 1.00 0.00 N ATOM 0 H LYS A 99 -10.973 2.755 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.489 -0.186 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.167 1.027 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.863 1.976 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.468 0.373 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.097 -0.776 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.858 -0.249 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.826 -1.609 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.000 -1.111 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.726 -2.154 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.461 -3.502 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.598 -3.435 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.090 -2.509 -5.579 1.00 0.00 H new ATOM 1553 N SER A 100 -8.011 0.003 -4.412 1.00 0.00 N ATOM 1554 CA SER A 100 -6.525 -0.024 -4.431 1.00 0.00 C ATOM 1555 C SER A 100 -5.989 -0.868 -5.623 1.00 0.00 C ATOM 1556 O SER A 100 -6.221 -2.078 -5.701 1.00 0.00 O ATOM 1557 CB SER A 100 -6.033 -0.543 -3.062 1.00 0.00 C ATOM 1558 OG SER A 100 -4.610 -0.456 -2.956 1.00 0.00 O ATOM 0 H SER A 100 -8.428 -0.753 -3.869 1.00 0.00 H new ATOM 0 HA SER A 100 -6.132 0.981 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.496 0.036 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.347 -1.578 -2.928 1.00 0.00 H new ATOM 0 HG SER A 100 -4.326 -0.789 -2.079 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.270 -0.201 -6.537 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.694 -0.825 -7.762 1.00 0.00 C ATOM 1566 C VAL A 101 -3.139 -0.757 -7.623 1.00 0.00 C ATOM 1567 O VAL A 101 -2.547 0.319 -7.758 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.232 -0.068 -9.032 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.573 -0.536 -10.351 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.767 -0.151 -9.220 1.00 0.00 C ATOM 0 H VAL A 101 -5.064 0.795 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.989 -1.868 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.956 0.966 -8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.990 0.027 -11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.497 -0.367 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.766 -1.599 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.054 0.397 -10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.065 -1.195 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.264 0.286 -8.354 1.00 0.00 H new ATOM 1580 N THR A 102 -2.471 -1.895 -7.376 1.00 0.00 N ATOM 1581 CA THR A 102 -0.987 -1.940 -7.224 1.00 0.00 C ATOM 1582 C THR A 102 -0.352 -2.576 -8.505 1.00 0.00 C ATOM 1583 O THR A 102 -0.528 -3.779 -8.728 1.00 0.00 O ATOM 1584 CB THR A 102 -0.573 -2.657 -5.900 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.351 -2.230 -4.783 1.00 0.00 O ATOM 1586 CG2 THR A 102 0.903 -2.439 -5.537 1.00 0.00 C ATOM 0 H THR A 102 -2.925 -2.803 -7.275 1.00 0.00 H new ATOM 0 HA THR A 102 -0.595 -0.927 -7.136 1.00 0.00 H new ATOM 0 HB THR A 102 -0.750 -3.714 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.779 -1.745 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.130 -2.961 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.535 -2.827 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.093 -1.373 -5.410 1.00 0.00 H new ATOM 1594 N GLU A 103 0.369 -1.798 -9.346 1.00 0.00 N ATOM 1595 CA GLU A 103 0.974 -2.332 -10.602 1.00 0.00 C ATOM 1596 C GLU A 103 2.530 -2.404 -10.540 1.00 0.00 C ATOM 1597 O GLU A 103 3.209 -1.458 -10.127 1.00 0.00 O ATOM 1598 CB GLU A 103 0.519 -1.497 -11.826 1.00 0.00 C ATOM 1599 CG GLU A 103 0.764 -2.203 -13.188 1.00 0.00 C ATOM 1600 CD GLU A 103 0.258 -1.447 -14.398 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.939 -0.500 -14.842 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.806 -1.824 -14.934 1.00 0.00 O ATOM 0 H GLU A 103 0.548 -0.807 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 103 0.614 -3.355 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.543 -1.274 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.047 -0.543 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.834 -2.373 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.287 -3.183 -13.164 1.00 0.00 H new ATOM 1609 N LEU A 104 3.083 -3.522 -11.027 1.00 0.00 N ATOM 1610 CA LEU A 104 4.548 -3.737 -11.121 1.00 0.00 C ATOM 1611 C LEU A 104 5.009 -3.543 -12.604 1.00 0.00 C ATOM 1612 O LEU A 104 4.616 -4.300 -13.498 1.00 0.00 O ATOM 1613 CB LEU A 104 4.893 -5.146 -10.550 1.00 0.00 C ATOM 1614 CG LEU A 104 6.159 -5.229 -9.662 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.367 -6.683 -9.223 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.442 -4.737 -10.349 1.00 0.00 C ATOM 0 H LEU A 104 2.533 -4.310 -11.370 1.00 0.00 H new ATOM 0 HA LEU A 104 5.092 -3.005 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.042 -5.498 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.014 -5.835 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 104 5.982 -4.566 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.257 -6.750 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.499 -7.020 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.494 -7.314 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.282 -4.828 -9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.634 -5.340 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.322 -3.693 -10.639 1.00 0.00 H new ATOM 1628 N ASN A 105 5.835 -2.521 -12.877 1.00 0.00 N ATOM 1629 CA ASN A 105 6.356 -2.247 -14.249 1.00 0.00 C ATOM 1630 C ASN A 105 7.865 -2.647 -14.314 1.00 0.00 C ATOM 1631 O ASN A 105 8.761 -1.820 -14.119 1.00 0.00 O ATOM 1632 CB ASN A 105 6.054 -0.764 -14.605 1.00 0.00 C ATOM 1633 CG ASN A 105 4.607 -0.489 -15.043 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.279 -0.555 -16.222 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.708 -0.196 -14.133 1.00 0.00 N ATOM 0 H ASN A 105 6.164 -1.862 -12.171 1.00 0.00 H new ATOM 0 HA ASN A 105 5.860 -2.850 -15.010 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.281 -0.143 -13.738 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.726 -0.453 -15.404 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.741 -0.024 -14.408 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.976 -0.140 -13.151 1.00 0.00 H new ATOM 1642 N GLY A 106 8.140 -3.943 -14.574 1.00 0.00 N ATOM 1643 CA GLY A 106 9.528 -4.487 -14.593 1.00 0.00 C ATOM 1644 C GLY A 106 10.084 -4.725 -13.174 1.00 0.00 C ATOM 1645 O GLY A 106 9.786 -5.748 -12.556 1.00 0.00 O ATOM 0 H GLY A 106 7.422 -4.639 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.540 -5.425 -15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.180 -3.794 -15.125 1.00 0.00 H new ATOM 1649 N ASP A 107 10.865 -3.757 -12.674 1.00 0.00 N ATOM 1650 CA ASP A 107 11.358 -3.754 -11.259 1.00 0.00 C ATOM 1651 C ASP A 107 11.007 -2.429 -10.472 1.00 0.00 C ATOM 1652 O ASP A 107 11.728 -2.012 -9.556 1.00 0.00 O ATOM 1653 CB ASP A 107 12.867 -4.132 -11.246 1.00 0.00 C ATOM 1654 CG ASP A 107 13.182 -5.606 -11.524 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.609 -6.494 -10.851 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.025 -5.879 -12.401 1.00 0.00 O ATOM 0 H ASP A 107 11.179 -2.955 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 107 10.820 -4.516 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.382 -3.522 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.281 -3.868 -10.273 1.00 0.00 H new ATOM 1661 N ILE A 108 9.866 -1.781 -10.787 1.00 0.00 N ATOM 1662 CA ILE A 108 9.341 -0.588 -10.068 1.00 0.00 C ATOM 1663 C ILE A 108 7.829 -0.848 -9.778 1.00 0.00 C ATOM 1664 O ILE A 108 7.055 -1.169 -10.689 1.00 0.00 O ATOM 1665 CB ILE A 108 9.640 0.791 -10.737 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.858 1.095 -12.036 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.149 1.065 -10.944 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.570 1.899 -11.794 1.00 0.00 C ATOM 0 H ILE A 108 9.269 -2.073 -11.561 1.00 0.00 H new ATOM 0 HA ILE A 108 9.888 -0.478 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 108 9.260 1.488 -9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.502 1.650 -12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.605 0.156 -12.528 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.281 2.040 -11.413 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.656 1.055 -9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.574 0.293 -11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.069 2.079 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.908 1.336 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.819 2.853 -11.329 1.00 0.00 H new ATOM 1680 N ILE A 109 7.400 -0.708 -8.518 1.00 0.00 N ATOM 1681 CA ILE A 109 5.985 -0.936 -8.110 1.00 0.00 C ATOM 1682 C ILE A 109 5.244 0.407 -7.830 1.00 0.00 C ATOM 1683 O ILE A 109 5.765 1.288 -7.136 1.00 0.00 O ATOM 1684 CB ILE A 109 5.938 -1.953 -6.912 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.525 -2.573 -6.729 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.455 -1.377 -5.564 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.495 -3.830 -5.846 1.00 0.00 C ATOM 0 H ILE A 109 8.010 -0.435 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 109 5.436 -1.390 -8.935 1.00 0.00 H new ATOM 0 HB ILE A 109 6.635 -2.741 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.865 -1.822 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.121 -2.823 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.388 -2.143 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.493 -1.064 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.847 -0.519 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.472 -4.198 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.126 -4.601 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.866 -3.585 -4.851 1.00 0.00 H new ATOM 1699 N THR A 110 4.015 0.551 -8.355 1.00 0.00 N ATOM 1700 CA THR A 110 3.148 1.725 -8.058 1.00 0.00 C ATOM 1701 C THR A 110 1.899 1.286 -7.250 1.00 0.00 C ATOM 1702 O THR A 110 1.197 0.368 -7.671 1.00 0.00 O ATOM 1703 CB THR A 110 2.798 2.548 -9.335 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.453 3.888 -8.977 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.669 2.027 -10.232 1.00 0.00 C ATOM 0 H THR A 110 3.591 -0.127 -8.989 1.00 0.00 H new ATOM 0 HA THR A 110 3.714 2.412 -7.429 1.00 0.00 H new ATOM 0 HB THR A 110 3.712 2.463 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.537 4.000 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.538 2.700 -11.080 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.923 1.031 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.742 1.980 -9.660 1.00 0.00 H new ATOM 1713 N ASN A 111 1.596 1.949 -6.126 1.00 0.00 N ATOM 1714 CA ASN A 111 0.381 1.643 -5.319 1.00 0.00 C ATOM 1715 C ASN A 111 -0.633 2.809 -5.503 1.00 0.00 C ATOM 1716 O ASN A 111 -0.451 3.883 -4.923 1.00 0.00 O ATOM 1717 CB ASN A 111 0.802 1.388 -3.850 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.282 0.699 -3.024 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.495 -0.503 -3.130 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.025 1.422 -2.225 1.00 0.00 N ATOM 0 H ASN A 111 2.168 2.703 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.120 0.734 -5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.703 0.775 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.057 2.339 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.778 0.984 -1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.851 2.423 -2.134 1.00 0.00 H new ATOM 1727 N THR A 112 -1.678 2.593 -6.321 1.00 0.00 N ATOM 1728 CA THR A 112 -2.679 3.645 -6.663 1.00 0.00 C ATOM 1729 C THR A 112 -4.009 3.418 -5.873 1.00 0.00 C ATOM 1730 O THR A 112 -4.857 2.603 -6.250 1.00 0.00 O ATOM 1731 CB THR A 112 -2.869 3.667 -8.211 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.614 3.698 -8.888 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.645 4.884 -8.726 1.00 0.00 C ATOM 0 H THR A 112 -1.861 1.694 -6.766 1.00 0.00 H new ATOM 0 HA THR A 112 -2.324 4.630 -6.359 1.00 0.00 H new ATOM 0 HB THR A 112 -3.432 2.756 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.765 3.709 -9.856 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.735 4.826 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.639 4.897 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.114 5.796 -8.454 1.00 0.00 H new ATOM 1741 N MET A 113 -4.186 4.161 -4.772 1.00 0.00 N ATOM 1742 CA MET A 113 -5.407 4.101 -3.920 1.00 0.00 C ATOM 1743 C MET A 113 -6.441 5.162 -4.399 1.00 0.00 C ATOM 1744 O MET A 113 -6.328 6.362 -4.126 1.00 0.00 O ATOM 1745 CB MET A 113 -5.000 4.274 -2.437 1.00 0.00 C ATOM 1746 CG MET A 113 -4.492 2.981 -1.779 1.00 0.00 C ATOM 1747 SD MET A 113 -3.898 3.331 -0.119 1.00 0.00 S ATOM 1748 CE MET A 113 -3.693 1.645 0.468 1.00 0.00 C ATOM 0 H MET A 113 -3.490 4.827 -4.436 1.00 0.00 H new ATOM 0 HA MET A 113 -5.894 3.130 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.222 5.035 -2.370 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.858 4.644 -1.875 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.294 2.244 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.690 2.549 -2.378 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.852 1.600 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.601 1.325 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.502 0.986 -0.379 1.00 0.00 H new ATOM 1758 N THR A 114 -7.457 4.677 -5.124 1.00 0.00 N ATOM 1759 CA THR A 114 -8.500 5.536 -5.750 1.00 0.00 C ATOM 1760 C THR A 114 -9.758 5.664 -4.832 1.00 0.00 C ATOM 1761 O THR A 114 -10.504 4.701 -4.615 1.00 0.00 O ATOM 1762 CB THR A 114 -8.847 5.044 -7.191 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.385 3.728 -7.195 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.680 5.043 -8.190 1.00 0.00 C ATOM 0 H THR A 114 -7.589 3.681 -5.300 1.00 0.00 H new ATOM 0 HA THR A 114 -8.094 6.542 -5.856 1.00 0.00 H new ATOM 0 HB THR A 114 -9.578 5.784 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.766 3.120 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 114 -8.030 4.684 -9.158 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.292 6.056 -8.297 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.889 4.388 -7.825 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.970 6.869 -4.280 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.152 7.200 -3.434 1.00 0.00 C ATOM 1774 C LEU A 115 -12.040 8.230 -4.207 1.00 0.00 C ATOM 1775 O LEU A 115 -11.994 9.438 -3.947 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.594 7.668 -2.058 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.595 8.206 -1.001 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.655 7.175 -0.577 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.824 8.692 0.237 1.00 0.00 C ATOM 0 H LEU A 115 -9.329 7.653 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.817 6.360 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.060 6.828 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.858 8.450 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.133 9.030 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.320 7.620 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.234 6.870 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.163 6.304 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.528 9.070 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.259 7.863 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.138 9.489 -0.051 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.833 7.739 -5.183 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.688 8.603 -6.048 1.00 0.00 C ATOM 1793 C GLY A 116 -12.895 9.520 -7.007 1.00 0.00 C ATOM 1794 O GLY A 116 -12.478 9.100 -8.088 1.00 0.00 O ATOM 0 H GLY A 116 -12.904 6.744 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.351 7.967 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.321 9.222 -5.412 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.690 10.761 -6.559 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.843 11.769 -7.267 1.00 0.00 C ATOM 1800 C ASP A 117 -10.344 11.790 -6.784 1.00 0.00 C ATOM 1801 O ASP A 117 -9.454 12.176 -7.548 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.484 13.174 -7.091 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.833 13.379 -7.781 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.852 13.594 -9.012 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.874 13.332 -7.091 1.00 0.00 O ATOM 0 H ASP A 117 -13.101 11.112 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.811 11.483 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.609 13.365 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.786 13.921 -7.469 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.053 11.391 -5.528 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.685 11.387 -4.944 1.00 0.00 C ATOM 1812 C ILE A 118 -7.889 10.131 -5.450 1.00 0.00 C ATOM 1813 O ILE A 118 -8.295 8.989 -5.208 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.770 11.390 -3.376 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.710 12.423 -2.675 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.361 11.454 -2.735 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.280 13.899 -2.682 1.00 0.00 C ATOM 0 H ILE A 118 -10.766 11.058 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.157 12.285 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.263 10.436 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.691 12.357 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.833 12.114 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.455 11.455 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.779 10.587 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.856 12.365 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.027 14.498 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.318 14.000 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.190 14.247 -3.711 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.725 10.350 -6.081 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.869 9.241 -6.606 1.00 0.00 C ATOM 1831 C VAL A 119 -4.522 9.238 -5.806 1.00 0.00 C ATOM 1832 O VAL A 119 -3.552 9.883 -6.214 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.720 9.380 -8.166 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.834 8.280 -8.791 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.064 9.352 -8.939 1.00 0.00 C ATOM 0 H VAL A 119 -6.343 11.281 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.322 8.261 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.256 10.360 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.771 8.432 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.835 8.329 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.270 7.302 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.872 9.453 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.573 8.407 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.694 10.176 -8.604 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.441 8.524 -4.662 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.183 8.431 -3.860 1.00 0.00 C ATOM 1847 C PHE A 120 -2.188 7.423 -4.514 1.00 0.00 C ATOM 1848 O PHE A 120 -2.330 6.208 -4.359 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.532 8.137 -2.370 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.363 7.780 -1.420 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.155 8.489 -1.460 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.467 6.664 -0.581 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.058 8.050 -0.730 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.367 6.231 0.157 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.161 6.923 0.078 1.00 0.00 C ATOM 0 H PHE A 120 -5.224 8.003 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.655 9.385 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.040 9.012 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.247 7.314 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.077 9.382 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.406 6.135 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.878 8.586 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.450 5.360 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.694 6.584 0.644 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.171 7.951 -5.215 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.210 7.109 -5.973 1.00 0.00 C ATOM 1867 C LYS A 121 1.244 7.122 -5.404 1.00 0.00 C ATOM 1868 O LYS A 121 1.956 8.128 -5.484 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.283 7.556 -7.457 1.00 0.00 C ATOM 1870 CG LYS A 121 0.417 6.603 -8.451 1.00 0.00 C ATOM 1871 CD LYS A 121 0.275 7.106 -9.898 1.00 0.00 C ATOM 1872 CE LYS A 121 0.952 6.160 -10.902 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.790 6.721 -12.269 1.00 0.00 N ATOM 0 H LYS A 121 -0.987 8.952 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.498 6.062 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.330 7.652 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.164 8.546 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.473 6.518 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.013 5.605 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.782 7.203 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.715 8.100 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.009 6.048 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.506 5.167 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.244 6.090 -12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.222 6.806 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.235 7.660 -12.314 1.00 0.00 H new ATOM 1887 N ARG A 122 1.700 5.978 -4.870 1.00 0.00 N ATOM 1888 CA ARG A 122 3.138 5.771 -4.531 1.00 0.00 C ATOM 1889 C ARG A 122 3.909 5.193 -5.771 1.00 0.00 C ATOM 1890 O ARG A 122 3.334 4.515 -6.632 1.00 0.00 O ATOM 1891 CB ARG A 122 3.289 4.806 -3.323 1.00 0.00 C ATOM 1892 CG ARG A 122 3.163 5.428 -1.912 1.00 0.00 C ATOM 1893 CD ARG A 122 3.618 4.417 -0.843 1.00 0.00 C ATOM 1894 NE ARG A 122 3.746 5.027 0.505 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.332 4.439 1.551 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.785 3.208 1.546 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.478 5.132 2.643 1.00 0.00 N ATOM 0 H ARG A 122 1.104 5.177 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 122 3.565 6.737 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.536 4.023 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.263 4.322 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.769 6.332 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.130 5.723 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.904 3.595 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.577 3.991 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 122 3.359 5.961 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.700 2.637 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.223 2.822 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.149 6.097 2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.922 4.711 3.459 1.00 0.00 H new ATOM 1911 N ILE A 123 5.220 5.470 -5.852 1.00 0.00 N ATOM 1912 CA ILE A 123 6.124 4.917 -6.904 1.00 0.00 C ATOM 1913 C ILE A 123 7.406 4.454 -6.126 1.00 0.00 C ATOM 1914 O ILE A 123 8.201 5.289 -5.674 1.00 0.00 O ATOM 1915 CB ILE A 123 6.413 5.926 -8.081 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.157 6.428 -8.868 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.387 5.303 -9.118 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.462 7.681 -8.298 1.00 0.00 C ATOM 0 H ILE A 123 5.696 6.085 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 123 5.664 4.083 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 123 6.843 6.789 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.456 6.637 -9.895 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.429 5.618 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.571 6.018 -9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.329 5.056 -8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.945 4.397 -9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.606 7.938 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.123 7.478 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.165 8.514 -8.286 1.00 0.00 H new ATOM 1930 N SER A 124 7.608 3.131 -5.986 1.00 0.00 N ATOM 1931 CA SER A 124 8.736 2.541 -5.205 1.00 0.00 C ATOM 1932 C SER A 124 9.591 1.561 -6.071 1.00 0.00 C ATOM 1933 O SER A 124 9.052 0.737 -6.814 1.00 0.00 O ATOM 1934 CB SER A 124 8.131 1.819 -3.971 1.00 0.00 C ATOM 1935 OG SER A 124 7.437 2.723 -3.104 1.00 0.00 O ATOM 0 H SER A 124 6.998 2.431 -6.408 1.00 0.00 H new ATOM 0 HA SER A 124 9.414 3.332 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.445 1.041 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.927 1.324 -3.415 1.00 0.00 H new ATOM 0 HG SER A 124 6.473 2.561 -3.167 1.00 0.00 H new ATOM 1941 N LYS A 125 10.934 1.626 -5.983 1.00 0.00 N ATOM 1942 CA LYS A 125 11.838 0.760 -6.790 1.00 0.00 C ATOM 1943 C LYS A 125 12.353 -0.493 -6.012 1.00 0.00 C ATOM 1944 O LYS A 125 12.776 -0.390 -4.859 1.00 0.00 O ATOM 1945 CB LYS A 125 12.983 1.663 -7.313 1.00 0.00 C ATOM 1946 CG LYS A 125 13.954 0.927 -8.265 1.00 0.00 C ATOM 1947 CD LYS A 125 14.744 1.865 -9.199 1.00 0.00 C ATOM 1948 CE LYS A 125 15.292 1.168 -10.462 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.350 0.167 -10.134 1.00 0.00 N ATOM 0 H LYS A 125 11.425 2.269 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 125 11.288 0.329 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.553 2.519 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.544 2.055 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.658 0.345 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.387 0.220 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.099 2.690 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.576 2.298 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.475 0.673 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.699 1.917 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.691 -0.278 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.142 0.643 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.955 -0.562 -9.506 1.00 0.00 H new ATOM 1963 N ARG A 126 12.393 -1.658 -6.689 1.00 0.00 N ATOM 1964 CA ARG A 126 12.839 -2.947 -6.097 1.00 0.00 C ATOM 1965 C ARG A 126 14.319 -2.974 -5.603 1.00 0.00 C ATOM 1966 O ARG A 126 15.259 -2.710 -6.361 1.00 0.00 O ATOM 1967 CB ARG A 126 12.598 -4.022 -7.185 1.00 0.00 C ATOM 1968 CG ARG A 126 12.557 -5.479 -6.677 1.00 0.00 C ATOM 1969 CD ARG A 126 12.378 -6.435 -7.865 1.00 0.00 C ATOM 1970 NE ARG A 126 11.989 -7.803 -7.442 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.586 -8.759 -8.280 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.591 -8.649 -9.590 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.160 -9.869 -7.759 1.00 0.00 N ATOM 0 H ARG A 126 12.116 -1.737 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 126 12.267 -3.127 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.655 -3.803 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.384 -3.938 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.478 -5.715 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.737 -5.605 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.618 -6.036 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.308 -6.484 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 126 12.033 -8.026 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.919 -7.788 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.267 -9.424 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.143 -9.983 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.842 -10.627 -8.363 1.00 0.00 H new ATOM 1987 N ILE A 127 14.480 -3.291 -4.315 1.00 0.00 N ATOM 1988 CA ILE A 127 15.793 -3.392 -3.624 1.00 0.00 C ATOM 1989 C ILE A 127 15.819 -4.738 -2.807 1.00 0.00 C ATOM 1990 O ILE A 127 16.925 -5.124 -2.368 1.00 0.00 O ATOM 1991 CB ILE A 127 16.050 -2.026 -2.861 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.539 -0.913 -3.837 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.979 -2.132 -1.631 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.672 0.510 -3.271 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.783 -5.432 -2.624 1.00 0.00 O ATOM 0 H ILE A 127 13.691 -3.491 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 127 16.658 -3.484 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 127 15.076 -1.746 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.511 -1.212 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.850 -0.878 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.094 -1.148 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.544 -2.819 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.955 -2.504 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.020 1.182 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.702 0.849 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.388 0.509 -2.449 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.999 10.178 14.514 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.889 11.175 15.263 1.00 0.00 O HETATM 2010 O2 OLA A 128 7.048 9.934 13.878 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.764 9.325 14.260 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.980 9.639 12.966 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.605 9.075 11.678 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.814 9.409 10.399 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.483 8.644 10.268 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.750 8.953 8.952 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.392 8.232 8.879 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.348 8.567 7.601 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.361 7.862 6.464 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.356 6.552 6.191 1.00 0.00 C HETATM 2021 C12 OLA A 128 0.000 5.970 4.812 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.670 4.622 4.494 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.413 4.234 3.027 1.00 0.00 C HETATM 2024 C15 OLA A 128 1.001 2.873 2.621 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.739 2.580 1.128 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.438 1.314 0.599 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.685 0.017 0.921 1.00 0.00 C HETATM 0 H183 OLA A 128 0.591 -0.091 2.002 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.308 0.052 0.472 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.236 -0.833 0.518 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.555 1.398 -0.481 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.440 1.258 1.024 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.335 2.480 0.972 1.00 0.00 H new HETATM 0 H161 OLA A 128 1.068 3.436 0.539 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.074 2.864 2.814 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.560 2.086 3.233 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.662 4.219 2.850 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.832 5.005 2.381 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.742 4.688 4.678 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.280 3.849 5.156 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.081 5.846 4.752 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.281 6.691 4.044 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.433 6.710 6.249 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.097 5.830 6.966 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.624 9.346 14.410 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.936 9.485 7.608 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.547 7.155 8.939 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.217 8.514 9.738 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.597 10.029 8.864 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.370 8.649 8.109 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.676 7.573 10.329 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.837 8.900 11.108 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.609 10.479 10.380 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.436 9.188 9.531 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.618 9.464 11.578 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.686 7.992 11.770 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.969 9.243 13.066 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.891 10.721 12.866 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.069 8.279 14.232 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.088 9.438 15.108 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.951 8.273 5.644 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.721 1.285 -1.880 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.852 1.541 -0.659 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.195 2.047 -2.747 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.499 -0.161 -2.303 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.406 -0.929 -1.529 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.502 -2.449 -1.749 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.431 -3.271 -0.998 1.00 0.00 C HETATM 2068 C6 OLA A 129 1.111 -3.417 -1.771 1.00 0.00 C HETATM 2069 C7 OLA A 129 0.000 -4.098 -0.955 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.290 -4.272 -1.781 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.386 -4.989 -1.015 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.266 -4.461 -0.153 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.353 -3.020 0.315 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.728 -2.831 1.713 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.725 -1.360 2.155 1.00 0.00 C HETATM 2076 C14 OLA A 129 -2.169 -1.140 3.580 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.982 0.349 3.943 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.295 1.130 4.157 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.090 2.652 4.211 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.423 3.414 4.202 1.00 0.00 C HETATM 0 H183 OLA A 129 -4.971 3.177 3.290 1.00 0.00 H new HETATM 0 H182 OLA A 129 -5.016 3.120 5.068 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.230 4.486 4.241 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.531 2.911 5.110 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.487 2.967 3.359 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.988 0.891 3.350 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.760 0.799 5.085 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.384 0.415 4.852 1.00 0.00 H new HETATM 0 H151 OLA A 129 -1.412 0.833 3.150 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.845 -1.600 4.301 1.00 0.00 H new HETATM 0 H141 OLA A 129 -1.211 -1.651 3.671 1.00 0.00 H new HETATM 0 H132 OLA A 129 -2.131 -0.779 1.449 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.743 -0.974 2.108 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.282 -3.425 2.440 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.705 -3.208 1.706 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.844 -2.374 -0.401 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.397 -2.708 0.339 1.00 0.00 H new HETATM 0 HO2 OLA A 129 5.141 1.616 -3.626 1.00 0.00 H new HETATM 0 H9 OLA A 129 -2.467 -6.062 -1.186 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.652 -3.292 -2.092 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.062 -4.831 -2.689 1.00 0.00 H new HETATM 0 H72 OLA A 129 0.346 -5.073 -0.612 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.214 -3.505 -0.066 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.770 -2.430 -2.083 1.00 0.00 H new HETATM 0 H61 OLA A 129 1.291 -3.994 -2.678 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.830 -4.263 -0.786 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.229 -2.797 -0.038 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.419 -2.655 -2.816 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.489 -2.788 -1.435 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.495 -0.711 -0.465 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.424 -0.578 -1.846 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.244 -0.174 -3.363 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.440 -0.700 -2.195 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.006 -5.147 0.260 1.00 0.00 H new