USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.25) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00605 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 80:sc= 0.072 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.661 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.136 K(o=-0.14,f=-2!) USER MOD Single : A 46 TYR OH : rot 66:sc= 0.612 USER MOD Single : A 47 CYS SG : rot 180:sc= -2.15! USER MOD Single : A 48 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0425 (180deg=-0.328) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 MET CE :methyl -129:sc= -1.66 (180deg=-3.73!) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0992 (180deg=-0.56) USER MOD Single : A 70 MET CE :methyl 166:sc= -0.234 (180deg=-0.977) USER MOD Single : A 71 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.9!) USER MOD Single : A 72 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.448 X(o=0.45,f=-0.016) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.43) USER MOD Single : A 90 GLN : amide:sc= -2.52 K(o=-2.5,f=-7.2!) USER MOD Single : A 94 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 129:sc= -2.06! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 14.189 -3.970 0.056 1.00 0.00 N ATOM 2 CA ALA A 8 14.201 -3.287 1.343 1.00 0.00 C ATOM 3 C ALA A 8 13.656 -1.869 1.217 1.00 0.00 C ATOM 4 O ALA A 8 14.190 -1.053 0.465 1.00 0.00 O ATOM 5 CB ALA A 8 15.610 -3.265 1.916 1.00 0.00 C ATOM 0 HA ALA A 8 13.553 -3.838 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.604 -2.752 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.963 -4.287 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.274 -2.740 1.229 1.00 0.00 H new ATOM 11 N ALA A 9 12.589 -1.581 1.956 1.00 0.00 N ATOM 12 CA ALA A 9 11.973 -0.261 1.927 1.00 0.00 C ATOM 13 C ALA A 9 13.008 0.834 2.163 1.00 0.00 C ATOM 14 O ALA A 9 14.095 0.590 2.688 1.00 0.00 O ATOM 15 CB ALA A 9 10.864 -0.174 2.964 1.00 0.00 C ATOM 0 H ALA A 9 12.134 -2.245 2.582 1.00 0.00 H new ATOM 0 HA ALA A 9 11.543 -0.110 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.412 0.818 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.105 -0.926 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.279 -0.351 3.956 1.00 0.00 H new ATOM 21 N PRO A 10 12.668 2.068 1.766 1.00 0.00 N ATOM 22 CA PRO A 10 13.555 3.224 1.925 1.00 0.00 C ATOM 23 C PRO A 10 13.719 3.634 3.385 1.00 0.00 C ATOM 24 O PRO A 10 14.825 3.925 3.836 1.00 0.00 O ATOM 25 CB PRO A 10 12.844 4.327 1.137 1.00 0.00 C ATOM 26 CG PRO A 10 11.407 3.934 1.148 1.00 0.00 C ATOM 27 CD PRO A 10 11.389 2.431 1.132 1.00 0.00 C ATOM 0 HA PRO A 10 14.565 3.013 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.991 5.302 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.228 4.397 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.903 4.321 2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.885 4.340 0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.539 2.033 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.319 2.041 0.117 1.00 0.00 H new ATOM 35 N ASN A 11 12.611 3.651 4.118 1.00 0.00 N ATOM 36 CA ASN A 11 12.632 4.025 5.527 1.00 0.00 C ATOM 37 C ASN A 11 13.205 5.427 5.710 1.00 0.00 C ATOM 38 O ASN A 11 14.005 5.671 6.614 1.00 0.00 O ATOM 39 CB ASN A 11 13.456 3.016 6.330 1.00 0.00 C ATOM 40 CG ASN A 11 13.155 1.583 5.942 1.00 0.00 C ATOM 41 OD1 ASN A 11 12.024 1.115 6.079 1.00 0.00 O ATOM 42 ND2 ASN A 11 14.168 0.877 5.452 1.00 0.00 N ATOM 0 H ASN A 11 11.687 3.410 3.759 1.00 0.00 H new ATOM 0 HA ASN A 11 11.606 4.021 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.517 3.215 6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 11 13.255 3.151 7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.025 -0.093 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.089 1.305 5.356 1.00 0.00 H new ATOM 49 N LEU A 12 12.790 6.347 4.846 1.00 0.00 N ATOM 50 CA LEU A 12 13.260 7.726 4.911 1.00 0.00 C ATOM 51 C LEU A 12 12.092 8.704 4.839 1.00 0.00 C ATOM 52 O LEU A 12 11.783 9.391 5.812 1.00 0.00 O ATOM 53 CB LEU A 12 14.245 8.005 3.775 1.00 0.00 C ATOM 54 CG LEU A 12 14.697 9.457 3.619 1.00 0.00 C ATOM 55 CD1 LEU A 12 15.686 9.828 4.713 1.00 0.00 C ATOM 56 CD2 LEU A 12 15.311 9.680 2.245 1.00 0.00 C ATOM 0 H LEU A 12 12.129 6.163 4.092 1.00 0.00 H new ATOM 0 HA LEU A 12 13.768 7.865 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.129 7.385 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.788 7.685 2.838 1.00 0.00 H new ATOM 0 HG LEU A 12 13.823 10.102 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.997 10.865 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.213 9.708 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.558 9.177 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.627 10.719 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.174 9.026 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.572 9.455 1.476 1.00 0.00 H new ATOM 68 N ALA A 13 11.445 8.760 3.679 1.00 0.00 N ATOM 69 CA ALA A 13 10.308 9.650 3.481 1.00 0.00 C ATOM 70 C ALA A 13 8.997 8.872 3.469 1.00 0.00 C ATOM 71 O ALA A 13 8.991 7.644 3.556 1.00 0.00 O ATOM 72 CB ALA A 13 10.471 10.433 2.187 1.00 0.00 C ATOM 0 H ALA A 13 11.689 8.199 2.863 1.00 0.00 H new ATOM 0 HA ALA A 13 10.276 10.350 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.615 11.094 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.384 11.027 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.531 9.740 1.348 1.00 0.00 H new ATOM 78 N GLY A 14 7.886 9.594 3.361 1.00 0.00 N ATOM 79 CA GLY A 14 6.583 8.954 3.341 1.00 0.00 C ATOM 80 C GLY A 14 6.097 8.673 1.933 1.00 0.00 C ATOM 81 O GLY A 14 4.921 8.376 1.722 1.00 0.00 O ATOM 0 H GLY A 14 7.865 10.611 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.632 8.019 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.861 9.591 3.851 1.00 0.00 H new ATOM 85 N ALA A 15 7.004 8.768 0.965 1.00 0.00 N ATOM 86 CA ALA A 15 6.661 8.522 -0.429 1.00 0.00 C ATOM 87 C ALA A 15 5.446 9.342 -0.849 1.00 0.00 C ATOM 88 O ALA A 15 4.566 8.850 -1.556 1.00 0.00 O ATOM 89 CB ALA A 15 6.402 7.039 -0.656 1.00 0.00 C ATOM 0 H ALA A 15 7.981 9.014 1.122 1.00 0.00 H new ATOM 0 HA ALA A 15 7.506 8.831 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.147 6.870 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.297 6.471 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.576 6.713 -0.024 1.00 0.00 H new ATOM 95 N VAL A 16 5.405 10.596 -0.411 1.00 0.00 N ATOM 96 CA VAL A 16 4.298 11.486 -0.742 1.00 0.00 C ATOM 97 C VAL A 16 4.073 11.545 -2.248 1.00 0.00 C ATOM 98 O VAL A 16 2.958 11.787 -2.709 1.00 0.00 O ATOM 99 CB VAL A 16 4.546 12.911 -0.213 1.00 0.00 C ATOM 100 CG1 VAL A 16 4.617 12.913 1.306 1.00 0.00 C ATOM 101 CG2 VAL A 16 5.818 13.487 -0.815 1.00 0.00 C ATOM 0 H VAL A 16 6.126 11.019 0.174 1.00 0.00 H new ATOM 0 HA VAL A 16 3.409 11.079 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 16 3.710 13.542 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.793 13.929 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.676 12.544 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.433 12.268 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.979 14.494 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.666 12.857 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.723 13.523 -1.900 1.00 0.00 H new ATOM 111 N GLU A 17 5.140 11.323 -3.010 1.00 0.00 N ATOM 112 CA GLU A 17 5.058 11.353 -4.466 1.00 0.00 C ATOM 113 C GLU A 17 4.285 10.147 -4.992 1.00 0.00 C ATOM 114 O GLU A 17 4.697 9.001 -4.805 1.00 0.00 O ATOM 115 CB GLU A 17 6.460 11.379 -5.077 1.00 0.00 C ATOM 116 CG GLU A 17 7.017 12.781 -5.261 1.00 0.00 C ATOM 117 CD GLU A 17 6.175 13.625 -6.199 1.00 0.00 C ATOM 118 OE1 GLU A 17 5.647 13.068 -7.185 1.00 0.00 O ATOM 119 OE2 GLU A 17 6.043 14.840 -5.947 1.00 0.00 O ATOM 0 H GLU A 17 6.070 11.121 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 17 4.526 12.259 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.136 10.809 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.435 10.877 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.078 13.274 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.033 12.716 -5.650 1.00 0.00 H new ATOM 126 N PHE A 18 3.161 10.413 -5.649 1.00 0.00 N ATOM 127 CA PHE A 18 2.328 9.350 -6.200 1.00 0.00 C ATOM 128 C PHE A 18 3.121 8.493 -7.184 1.00 0.00 C ATOM 129 O PHE A 18 2.880 7.293 -7.312 1.00 0.00 O ATOM 130 CB PHE A 18 1.103 9.943 -6.898 1.00 0.00 C ATOM 131 CG PHE A 18 0.156 8.908 -7.432 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.203 7.815 -6.659 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.375 9.025 -8.706 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.074 6.859 -7.148 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.247 8.073 -9.200 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.597 6.989 -8.420 1.00 0.00 C ATOM 0 H PHE A 18 2.806 11.355 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 18 1.998 8.717 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.570 10.584 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.435 10.578 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.202 7.709 -5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.104 9.871 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.345 6.011 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.654 8.177 -10.195 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.278 6.244 -8.804 1.00 0.00 H new ATOM 146 N SER A 19 4.068 9.118 -7.875 1.00 0.00 N ATOM 147 CA SER A 19 4.894 8.415 -8.849 1.00 0.00 C ATOM 148 C SER A 19 5.824 7.423 -8.158 1.00 0.00 C ATOM 149 O SER A 19 6.159 6.377 -8.714 1.00 0.00 O ATOM 150 CB SER A 19 5.713 9.413 -9.670 1.00 0.00 C ATOM 151 OG SER A 19 4.968 10.588 -9.937 1.00 0.00 O ATOM 0 H SER A 19 4.283 10.110 -7.778 1.00 0.00 H new ATOM 0 HA SER A 19 4.233 7.862 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.624 9.671 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.019 8.952 -10.609 1.00 0.00 H new ATOM 0 HG SER A 19 5.515 11.210 -10.461 1.00 0.00 H new ATOM 157 N ASP A 20 6.237 7.759 -6.941 1.00 0.00 N ATOM 158 CA ASP A 20 7.128 6.898 -6.172 1.00 0.00 C ATOM 159 C ASP A 20 6.376 5.691 -5.621 1.00 0.00 C ATOM 160 O ASP A 20 6.788 4.547 -5.817 1.00 0.00 O ATOM 161 CB ASP A 20 7.766 7.683 -5.024 1.00 0.00 C ATOM 162 CG ASP A 20 8.786 8.693 -5.510 1.00 0.00 C ATOM 163 OD1 ASP A 20 8.491 9.411 -6.489 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.879 8.767 -4.911 1.00 0.00 O ATOM 0 H ASP A 20 5.969 8.621 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 20 7.913 6.542 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.987 8.199 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.247 6.988 -4.336 1.00 0.00 H new ATOM 169 N VAL A 21 5.270 5.952 -4.931 1.00 0.00 N ATOM 170 CA VAL A 21 4.460 4.887 -4.353 1.00 0.00 C ATOM 171 C VAL A 21 3.942 3.942 -5.433 1.00 0.00 C ATOM 172 O VAL A 21 3.738 2.753 -5.187 1.00 0.00 O ATOM 173 CB VAL A 21 3.263 5.456 -3.568 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.271 6.119 -4.512 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.589 4.359 -2.757 1.00 0.00 C ATOM 0 H VAL A 21 4.915 6.892 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 21 5.105 4.335 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 21 3.631 6.214 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.432 6.515 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.763 6.933 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.906 5.385 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.745 4.778 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.233 3.577 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.305 3.935 -2.053 1.00 0.00 H new ATOM 185 N LYS A 22 3.732 4.479 -6.629 1.00 0.00 N ATOM 186 CA LYS A 22 3.240 3.685 -7.748 1.00 0.00 C ATOM 187 C LYS A 22 4.272 2.645 -8.173 1.00 0.00 C ATOM 188 O LYS A 22 3.921 1.540 -8.589 1.00 0.00 O ATOM 189 CB LYS A 22 2.898 4.591 -8.933 1.00 0.00 C ATOM 190 CG LYS A 22 2.231 3.862 -10.086 1.00 0.00 C ATOM 191 CD LYS A 22 2.046 4.771 -11.289 1.00 0.00 C ATOM 192 CE LYS A 22 3.383 5.181 -11.888 1.00 0.00 C ATOM 193 NZ LYS A 22 3.259 5.537 -13.328 1.00 0.00 N ATOM 0 H LYS A 22 3.895 5.462 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 22 2.338 3.166 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.240 5.390 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.812 5.063 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.834 3.000 -10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.262 3.481 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.449 4.260 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.491 5.661 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.782 6.032 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.097 4.365 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.191 5.811 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.902 4.717 -13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.597 6.332 -13.433 1.00 0.00 H new ATOM 207 N THR A 23 5.547 3.004 -8.064 1.00 0.00 N ATOM 208 CA THR A 23 6.630 2.102 -8.436 1.00 0.00 C ATOM 209 C THR A 23 6.920 1.103 -7.322 1.00 0.00 C ATOM 210 O THR A 23 7.365 -0.016 -7.579 1.00 0.00 O ATOM 211 CB THR A 23 7.920 2.878 -8.764 1.00 0.00 C ATOM 212 OG1 THR A 23 7.691 3.767 -9.862 1.00 0.00 O ATOM 213 CG2 THR A 23 9.054 1.923 -9.106 1.00 0.00 C ATOM 0 H THR A 23 5.855 3.914 -7.721 1.00 0.00 H new ATOM 0 HA THR A 23 6.302 1.565 -9.326 1.00 0.00 H new ATOM 0 HB THR A 23 8.205 3.454 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.240 4.575 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.954 2.494 -9.334 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.246 1.267 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.776 1.323 -9.972 1.00 0.00 H new ATOM 221 N LEU A 24 6.666 1.514 -6.085 1.00 0.00 N ATOM 222 CA LEU A 24 6.900 0.654 -4.930 1.00 0.00 C ATOM 223 C LEU A 24 5.860 -0.459 -4.861 1.00 0.00 C ATOM 224 O LEU A 24 6.145 -1.562 -4.392 1.00 0.00 O ATOM 225 CB LEU A 24 6.869 1.477 -3.641 1.00 0.00 C ATOM 226 CG LEU A 24 7.011 0.690 -2.338 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.473 0.581 -1.936 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.197 1.342 -1.229 1.00 0.00 C ATOM 0 H LEU A 24 6.298 2.437 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 24 7.885 0.200 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.670 2.215 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.929 2.028 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 24 6.625 -0.316 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.554 0.018 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.029 0.068 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.886 1.579 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.310 0.768 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.552 2.360 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.145 1.365 -1.515 1.00 0.00 H new ATOM 240 N LEU A 25 4.653 -0.165 -5.332 1.00 0.00 N ATOM 241 CA LEU A 25 3.570 -1.142 -5.327 1.00 0.00 C ATOM 242 C LEU A 25 3.786 -2.201 -6.403 1.00 0.00 C ATOM 243 O LEU A 25 3.702 -3.400 -6.136 1.00 0.00 O ATOM 244 CB LEU A 25 2.227 -0.443 -5.545 1.00 0.00 C ATOM 245 CG LEU A 25 1.572 0.156 -4.299 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.506 1.167 -4.691 1.00 0.00 C ATOM 247 CD2 LEU A 25 0.975 -0.942 -3.430 1.00 0.00 C ATOM 0 H LEU A 25 4.400 0.743 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 25 3.563 -1.636 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.369 0.354 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.534 -1.160 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 25 2.339 0.672 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.051 1.583 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.961 1.969 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.259 0.675 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.513 -0.498 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.221 -1.487 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.762 -1.629 -3.120 1.00 0.00 H new ATOM 259 N LYS A 26 4.068 -1.750 -7.621 1.00 0.00 N ATOM 260 CA LYS A 26 4.299 -2.658 -8.738 1.00 0.00 C ATOM 261 C LYS A 26 5.468 -3.594 -8.445 1.00 0.00 C ATOM 262 O LYS A 26 5.435 -4.771 -8.800 1.00 0.00 O ATOM 263 CB LYS A 26 4.575 -1.865 -10.017 1.00 0.00 C ATOM 264 CG LYS A 26 3.317 -1.461 -10.767 1.00 0.00 C ATOM 265 CD LYS A 26 2.944 -2.485 -11.825 1.00 0.00 C ATOM 266 CE LYS A 26 3.948 -2.496 -12.968 1.00 0.00 C ATOM 267 NZ LYS A 26 3.362 -3.060 -14.215 1.00 0.00 N ATOM 0 H LYS A 26 4.142 -0.761 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 26 3.401 -3.260 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.140 -0.968 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.205 -2.463 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.493 -1.348 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.469 -0.490 -11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.895 -3.476 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.950 -2.262 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.295 -1.480 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.821 -3.082 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.077 -3.050 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.054 -4.038 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.545 -2.486 -14.505 1.00 0.00 H new ATOM 281 N GLU A 27 6.498 -3.061 -7.796 1.00 0.00 N ATOM 282 CA GLU A 27 7.677 -3.850 -7.455 1.00 0.00 C ATOM 283 C GLU A 27 7.388 -4.779 -6.280 1.00 0.00 C ATOM 284 O GLU A 27 7.825 -5.930 -6.264 1.00 0.00 O ATOM 285 CB GLU A 27 8.852 -2.931 -7.116 1.00 0.00 C ATOM 286 CG GLU A 27 9.553 -2.364 -8.339 1.00 0.00 C ATOM 287 CD GLU A 27 10.385 -1.137 -8.019 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.382 -0.710 -6.844 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.038 -0.605 -8.940 1.00 0.00 O ATOM 0 H GLU A 27 6.541 -2.087 -7.496 1.00 0.00 H new ATOM 0 HA GLU A 27 7.939 -4.458 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.492 -2.107 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.575 -3.485 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.195 -3.131 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.809 -2.107 -9.093 1.00 0.00 H new ATOM 296 N TRP A 28 6.651 -4.272 -5.299 1.00 0.00 N ATOM 297 CA TRP A 28 6.304 -5.056 -4.119 1.00 0.00 C ATOM 298 C TRP A 28 5.387 -6.217 -4.487 1.00 0.00 C ATOM 299 O TRP A 28 5.264 -7.184 -3.735 1.00 0.00 O ATOM 300 CB TRP A 28 5.629 -4.168 -3.072 1.00 0.00 C ATOM 301 CG TRP A 28 5.122 -4.930 -1.885 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.852 -5.727 -1.050 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.775 -4.968 -1.403 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.040 -6.258 -0.077 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.761 -5.807 -0.271 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.579 -4.374 -1.814 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.598 -6.065 0.449 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.426 -4.631 -1.099 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.442 -5.470 0.024 1.00 0.00 C ATOM 0 H TRP A 28 6.282 -3.321 -5.297 1.00 0.00 H new ATOM 0 HA TRP A 28 7.224 -5.464 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.339 -3.413 -2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.798 -3.638 -3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.912 -5.913 -1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.341 -6.886 0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.557 -3.725 -2.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.608 -6.713 1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.496 -4.178 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.524 -5.650 0.564 1.00 0.00 H new ATOM 320 N ILE A 29 4.746 -6.114 -5.646 1.00 0.00 N ATOM 321 CA ILE A 29 3.841 -7.157 -6.113 1.00 0.00 C ATOM 322 C ILE A 29 4.550 -8.114 -7.064 1.00 0.00 C ATOM 323 O ILE A 29 4.184 -9.285 -7.172 1.00 0.00 O ATOM 324 CB ILE A 29 2.612 -6.559 -6.825 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.835 -5.651 -5.871 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.718 -7.669 -7.356 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.015 -4.595 -6.578 1.00 0.00 C ATOM 0 H ILE A 29 4.836 -5.319 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 29 3.509 -7.705 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 29 2.954 -5.959 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.174 -6.263 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.536 -5.163 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.854 -7.232 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.278 -8.279 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.381 -8.292 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.490 -3.987 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.673 -3.959 -7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.289 -5.076 -7.234 1.00 0.00 H new ATOM 339 N THR A 30 5.569 -7.609 -7.753 1.00 0.00 N ATOM 340 CA THR A 30 6.331 -8.419 -8.695 1.00 0.00 C ATOM 341 C THR A 30 7.485 -9.133 -8.000 1.00 0.00 C ATOM 342 O THR A 30 7.550 -10.363 -7.982 1.00 0.00 O ATOM 343 CB THR A 30 6.892 -7.563 -9.847 1.00 0.00 C ATOM 344 OG1 THR A 30 7.691 -6.498 -9.322 1.00 0.00 O ATOM 345 CG2 THR A 30 5.765 -6.989 -10.692 1.00 0.00 C ATOM 0 H THR A 30 5.885 -6.642 -7.676 1.00 0.00 H new ATOM 0 HA THR A 30 5.643 -9.159 -9.103 1.00 0.00 H new ATOM 0 HB THR A 30 7.509 -8.202 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.045 -5.960 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.185 -6.388 -11.499 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.176 -7.803 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.126 -6.364 -10.069 1.00 0.00 H new ATOM 353 N THR A 31 8.396 -8.354 -7.425 1.00 0.00 N ATOM 354 CA THR A 31 9.549 -8.911 -6.728 1.00 0.00 C ATOM 355 C THR A 31 9.115 -9.893 -5.646 1.00 0.00 C ATOM 356 O THR A 31 9.655 -10.996 -5.543 1.00 0.00 O ATOM 357 CB THR A 31 10.406 -7.804 -6.085 1.00 0.00 C ATOM 358 OG1 THR A 31 9.718 -7.240 -4.963 1.00 0.00 O ATOM 359 CG2 THR A 31 10.722 -6.710 -7.094 1.00 0.00 C ATOM 0 H THR A 31 8.358 -7.335 -7.428 1.00 0.00 H new ATOM 0 HA THR A 31 10.146 -9.436 -7.474 1.00 0.00 H new ATOM 0 HB THR A 31 11.343 -8.249 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.971 -6.691 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.328 -5.939 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.272 -7.137 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.793 -6.269 -7.456 1.00 0.00 H new ATOM 367 N ILE A 32 8.137 -9.488 -4.843 1.00 0.00 N ATOM 368 CA ILE A 32 7.629 -10.334 -3.771 1.00 0.00 C ATOM 369 C ILE A 32 6.415 -11.134 -4.229 1.00 0.00 C ATOM 370 O ILE A 32 5.576 -10.634 -4.979 1.00 0.00 O ATOM 371 CB ILE A 32 7.245 -9.504 -2.532 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.354 -8.506 -2.196 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.969 -10.417 -1.347 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.697 -9.156 -1.948 1.00 0.00 C ATOM 0 H ILE A 32 7.681 -8.579 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 32 8.433 -11.020 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 32 6.336 -8.946 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.450 -7.793 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.065 -7.939 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.699 -9.815 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.148 -11.091 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.862 -11.000 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.435 -8.389 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.617 -9.848 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.008 -9.700 -2.840 1.00 0.00 H new ATOM 386 N SER A 33 6.326 -12.380 -3.773 1.00 0.00 N ATOM 387 CA SER A 33 5.215 -13.251 -4.138 1.00 0.00 C ATOM 388 C SER A 33 4.448 -13.701 -2.898 1.00 0.00 C ATOM 389 O SER A 33 3.232 -13.889 -2.941 1.00 0.00 O ATOM 390 CB SER A 33 5.726 -14.470 -4.907 1.00 0.00 C ATOM 391 OG SER A 33 6.878 -14.148 -5.666 1.00 0.00 O ATOM 0 H SER A 33 7.010 -12.809 -3.150 1.00 0.00 H new ATOM 0 HA SER A 33 4.537 -12.686 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.960 -15.273 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.943 -14.841 -5.568 1.00 0.00 H new ATOM 0 HG SER A 33 7.186 -14.944 -6.147 1.00 0.00 H new ATOM 397 N ASP A 34 5.168 -13.874 -1.796 1.00 0.00 N ATOM 398 CA ASP A 34 4.558 -14.302 -0.543 1.00 0.00 C ATOM 399 C ASP A 34 5.136 -13.526 0.637 1.00 0.00 C ATOM 400 O ASP A 34 5.921 -14.048 1.429 1.00 0.00 O ATOM 401 CB ASP A 34 4.768 -15.803 -0.334 1.00 0.00 C ATOM 402 CG ASP A 34 6.193 -16.232 -0.616 1.00 0.00 C ATOM 403 OD1 ASP A 34 7.108 -15.396 -0.456 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.396 -17.404 -0.996 1.00 0.00 O ATOM 0 H ASP A 34 6.176 -13.724 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 34 3.489 -14.097 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.509 -16.064 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.090 -16.356 -0.984 1.00 0.00 H new ATOM 409 N PRO A 35 4.743 -12.250 0.757 1.00 0.00 N ATOM 410 CA PRO A 35 5.210 -11.375 1.836 1.00 0.00 C ATOM 411 C PRO A 35 4.648 -11.779 3.194 1.00 0.00 C ATOM 412 O PRO A 35 3.912 -12.759 3.306 1.00 0.00 O ATOM 413 CB PRO A 35 4.685 -9.996 1.428 1.00 0.00 C ATOM 414 CG PRO A 35 3.500 -10.281 0.572 1.00 0.00 C ATOM 415 CD PRO A 35 3.809 -11.563 -0.152 1.00 0.00 C ATOM 0 HA PRO A 35 6.293 -11.416 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.410 -9.403 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.440 -9.430 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.598 -10.382 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.323 -9.468 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.909 -12.154 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.261 -11.376 -1.126 1.00 0.00 H new ATOM 423 N MET A 36 4.998 -11.017 4.225 1.00 0.00 N ATOM 424 CA MET A 36 4.526 -11.295 5.576 1.00 0.00 C ATOM 425 C MET A 36 3.492 -10.263 6.016 1.00 0.00 C ATOM 426 O MET A 36 3.252 -9.278 5.318 1.00 0.00 O ATOM 427 CB MET A 36 5.699 -11.308 6.558 1.00 0.00 C ATOM 428 CG MET A 36 6.359 -12.670 6.699 1.00 0.00 C ATOM 429 SD MET A 36 5.334 -13.847 7.601 1.00 0.00 S ATOM 430 CE MET A 36 6.171 -13.881 9.185 1.00 0.00 C ATOM 0 H MET A 36 5.607 -10.202 4.150 1.00 0.00 H new ATOM 0 HA MET A 36 4.054 -12.277 5.572 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.445 -10.584 6.230 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.347 -10.981 7.536 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.577 -13.068 5.708 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.313 -12.556 7.214 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.654 -14.567 9.855 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.199 -14.215 9.046 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.170 -12.881 9.618 1.00 0.00 H new ATOM 440 N GLU A 37 2.884 -10.495 7.174 1.00 0.00 N ATOM 441 CA GLU A 37 1.876 -9.584 7.703 1.00 0.00 C ATOM 442 C GLU A 37 2.401 -8.153 7.740 1.00 0.00 C ATOM 443 O GLU A 37 1.662 -7.203 7.485 1.00 0.00 O ATOM 444 CB GLU A 37 1.451 -10.019 9.108 1.00 0.00 C ATOM 445 CG GLU A 37 2.593 -10.042 10.109 1.00 0.00 C ATOM 446 CD GLU A 37 2.170 -10.573 11.465 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.484 -11.615 11.506 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.525 -9.946 12.485 1.00 0.00 O ATOM 0 H GLU A 37 3.071 -11.306 7.764 1.00 0.00 H new ATOM 0 HA GLU A 37 1.010 -9.618 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.676 -9.343 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.007 -11.013 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.402 -10.659 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.989 -9.033 10.226 1.00 0.00 H new ATOM 455 N GLU A 38 3.684 -8.007 8.058 1.00 0.00 N ATOM 456 CA GLU A 38 4.307 -6.691 8.128 1.00 0.00 C ATOM 457 C GLU A 38 4.118 -5.927 6.820 1.00 0.00 C ATOM 458 O GLU A 38 3.759 -4.750 6.823 1.00 0.00 O ATOM 459 CB GLU A 38 5.799 -6.825 8.442 1.00 0.00 C ATOM 460 CG GLU A 38 6.536 -7.765 7.503 1.00 0.00 C ATOM 461 CD GLU A 38 7.960 -8.037 7.948 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.723 -7.064 8.124 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.310 -9.223 8.122 1.00 0.00 O ATOM 0 H GLU A 38 4.311 -8.783 8.271 1.00 0.00 H new ATOM 0 HA GLU A 38 3.823 -6.131 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.262 -5.839 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.916 -7.182 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.993 -8.708 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.548 -7.336 6.501 1.00 0.00 H new ATOM 470 N ASP A 39 4.363 -6.608 5.706 1.00 0.00 N ATOM 471 CA ASP A 39 4.219 -5.995 4.390 1.00 0.00 C ATOM 472 C ASP A 39 2.833 -5.379 4.225 1.00 0.00 C ATOM 473 O ASP A 39 2.692 -4.279 3.692 1.00 0.00 O ATOM 474 CB ASP A 39 4.463 -7.032 3.292 1.00 0.00 C ATOM 475 CG ASP A 39 5.848 -7.643 3.371 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.171 -8.248 4.414 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.610 -7.515 2.389 1.00 0.00 O ATOM 0 H ASP A 39 4.662 -7.583 5.687 1.00 0.00 H new ATOM 0 HA ASP A 39 4.962 -5.202 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.716 -7.822 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.331 -6.563 2.317 1.00 0.00 H new ATOM 482 N ILE A 40 1.814 -6.096 4.687 1.00 0.00 N ATOM 483 CA ILE A 40 0.440 -5.619 4.591 1.00 0.00 C ATOM 484 C ILE A 40 0.198 -4.446 5.534 1.00 0.00 C ATOM 485 O ILE A 40 -0.585 -3.544 5.233 1.00 0.00 O ATOM 486 CB ILE A 40 -0.568 -6.738 4.912 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.406 -7.899 3.928 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.989 -6.198 4.872 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.507 -8.995 4.431 1.00 0.00 C ATOM 0 H ILE A 40 1.914 -7.009 5.131 1.00 0.00 H new ATOM 0 HA ILE A 40 0.291 -5.291 3.562 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.369 -7.108 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.387 -8.324 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.014 -7.514 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.690 -7.001 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.096 -5.402 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.201 -5.804 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.575 -9.784 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.500 -8.585 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.105 -9.407 5.357 1.00 0.00 H new ATOM 501 N LEU A 41 0.875 -4.464 6.677 1.00 0.00 N ATOM 502 CA LEU A 41 0.736 -3.400 7.665 1.00 0.00 C ATOM 503 C LEU A 41 1.469 -2.140 7.215 1.00 0.00 C ATOM 504 O LEU A 41 1.076 -1.025 7.564 1.00 0.00 O ATOM 505 CB LEU A 41 1.276 -3.861 9.020 1.00 0.00 C ATOM 506 CG LEU A 41 0.523 -5.014 9.686 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.094 -5.297 11.067 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.962 -4.698 9.774 1.00 0.00 C ATOM 0 H LEU A 41 1.525 -5.204 6.942 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.324 -3.166 7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.317 -4.159 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.270 -3.009 9.700 1.00 0.00 H new ATOM 0 HG LEU A 41 0.648 -5.908 9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.546 -6.120 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.146 -5.567 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.000 -4.407 11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.483 -5.528 10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.107 -3.793 10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.362 -4.546 8.771 1.00 0.00 H new ATOM 520 N GLN A 42 2.531 -2.324 6.439 1.00 0.00 N ATOM 521 CA GLN A 42 3.316 -1.201 5.940 1.00 0.00 C ATOM 522 C GLN A 42 2.522 -0.391 4.920 1.00 0.00 C ATOM 523 O GLN A 42 2.458 0.836 5.000 1.00 0.00 O ATOM 524 CB GLN A 42 4.618 -1.701 5.312 1.00 0.00 C ATOM 525 CG GLN A 42 5.571 -2.336 6.310 1.00 0.00 C ATOM 526 CD GLN A 42 6.488 -1.323 6.967 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.525 -0.156 6.575 1.00 0.00 O ATOM 528 NE2 GLN A 42 7.236 -1.765 7.971 1.00 0.00 N ATOM 0 H GLN A 42 2.868 -3.240 6.142 1.00 0.00 H new ATOM 0 HA GLN A 42 3.554 -0.553 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.381 -2.428 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.120 -0.866 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.995 -2.852 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.173 -3.090 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.173 -2.740 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.873 -1.129 8.450 1.00 0.00 H new ATOM 537 N VAL A 43 1.918 -1.086 3.962 1.00 0.00 N ATOM 538 CA VAL A 43 1.127 -0.432 2.926 1.00 0.00 C ATOM 539 C VAL A 43 -0.075 0.287 3.525 1.00 0.00 C ATOM 540 O VAL A 43 -0.486 1.342 3.041 1.00 0.00 O ATOM 541 CB VAL A 43 0.634 -1.444 1.874 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.805 -1.995 1.073 1.00 0.00 C ATOM 543 CG2 VAL A 43 -0.144 -2.568 2.540 1.00 0.00 C ATOM 0 H VAL A 43 1.961 -2.102 3.881 1.00 0.00 H new ATOM 0 HA VAL A 43 1.778 0.296 2.442 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.036 -0.929 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.438 -2.708 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.315 -1.177 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.502 -2.495 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.485 -3.273 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.500 -3.084 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.006 -2.154 3.063 1.00 0.00 H new ATOM 553 N VAL A 44 -0.637 -0.289 4.584 1.00 0.00 N ATOM 554 CA VAL A 44 -1.792 0.298 5.251 1.00 0.00 C ATOM 555 C VAL A 44 -1.386 1.499 6.098 1.00 0.00 C ATOM 556 O VAL A 44 -2.195 2.390 6.360 1.00 0.00 O ATOM 557 CB VAL A 44 -2.506 -0.731 6.148 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.670 -0.083 6.883 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.980 -1.917 5.322 1.00 0.00 C ATOM 0 H VAL A 44 -0.310 -1.162 4.998 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.477 0.624 4.468 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.796 -1.095 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.162 -0.825 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.299 0.731 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.384 0.310 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.482 -2.635 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.674 -1.572 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.123 -2.395 4.847 1.00 0.00 H new ATOM 569 N ARG A 45 -0.127 1.515 6.525 1.00 0.00 N ATOM 570 CA ARG A 45 0.387 2.606 7.345 1.00 0.00 C ATOM 571 C ARG A 45 0.571 3.872 6.512 1.00 0.00 C ATOM 572 O ARG A 45 0.487 4.986 7.031 1.00 0.00 O ATOM 573 CB ARG A 45 1.717 2.207 7.987 1.00 0.00 C ATOM 574 CG ARG A 45 1.559 1.442 9.290 1.00 0.00 C ATOM 575 CD ARG A 45 1.119 2.356 10.424 1.00 0.00 C ATOM 576 NE ARG A 45 0.610 1.603 11.567 1.00 0.00 N ATOM 577 CZ ARG A 45 -0.599 1.056 11.607 1.00 0.00 C ATOM 578 NH1 ARG A 45 -1.420 1.176 10.573 1.00 0.00 N ATOM 579 NH2 ARG A 45 -0.990 0.386 12.683 1.00 0.00 N ATOM 0 H ARG A 45 0.555 0.786 6.317 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.340 2.811 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.282 1.596 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.305 3.106 8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.827 0.645 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.504 0.966 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.961 2.971 10.741 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.346 3.035 10.064 1.00 0.00 H new ATOM 0 HE ARG A 45 1.217 1.491 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.123 1.690 9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.348 0.754 10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.362 0.291 13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.919 -0.034 12.713 1.00 0.00 H new ATOM 593 N TYR A 46 0.821 3.692 5.221 1.00 0.00 N ATOM 594 CA TYR A 46 1.020 4.819 4.316 1.00 0.00 C ATOM 595 C TYR A 46 -0.298 5.534 4.038 1.00 0.00 C ATOM 596 O TYR A 46 -0.406 6.748 4.206 1.00 0.00 O ATOM 597 CB TYR A 46 1.642 4.342 3.003 1.00 0.00 C ATOM 598 CG TYR A 46 1.661 5.400 1.922 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.144 6.676 2.181 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.195 5.123 0.643 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.161 7.646 1.197 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.211 6.086 -0.348 1.00 0.00 C ATOM 603 CZ TYR A 46 1.695 7.346 -0.065 1.00 0.00 C ATOM 604 OH TYR A 46 1.712 8.309 -1.048 1.00 0.00 O ATOM 0 H TYR A 46 0.891 2.777 4.776 1.00 0.00 H new ATOM 0 HA TYR A 46 1.699 5.523 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.663 4.011 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.088 3.476 2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.512 6.914 3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.813 4.138 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.538 8.634 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.847 5.853 -1.338 1.00 0.00 H new ATOM 0 HH TYR A 46 2.640 8.538 -1.266 1.00 0.00 H new ATOM 614 N CYS A 47 -1.299 4.770 3.614 1.00 0.00 N ATOM 615 CA CYS A 47 -2.612 5.329 3.313 1.00 0.00 C ATOM 616 C CYS A 47 -3.211 6.006 4.541 1.00 0.00 C ATOM 617 O CYS A 47 -3.942 6.990 4.427 1.00 0.00 O ATOM 618 CB CYS A 47 -3.554 4.233 2.811 1.00 0.00 C ATOM 619 SG CYS A 47 -3.235 3.707 1.110 1.00 0.00 S ATOM 0 H CYS A 47 -1.226 3.763 3.471 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.488 6.079 2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.471 3.368 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.581 4.591 2.883 1.00 0.00 H new ATOM 0 HG CYS A 47 -4.080 2.777 0.778 1.00 0.00 H new ATOM 625 N THR A 48 -2.895 5.473 5.717 1.00 0.00 N ATOM 626 CA THR A 48 -3.404 6.023 6.967 1.00 0.00 C ATOM 627 C THR A 48 -2.709 7.335 7.312 1.00 0.00 C ATOM 628 O THR A 48 -3.350 8.292 7.746 1.00 0.00 O ATOM 629 CB THR A 48 -3.216 5.034 8.134 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.892 3.805 7.846 1.00 0.00 O ATOM 631 CG2 THR A 48 -3.752 5.621 9.431 1.00 0.00 C ATOM 0 H THR A 48 -2.289 4.661 5.830 1.00 0.00 H new ATOM 0 HA THR A 48 -4.469 6.205 6.822 1.00 0.00 H new ATOM 0 HB THR A 48 -2.149 4.843 8.253 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.315 3.236 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.609 4.906 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.217 6.542 9.662 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.815 5.836 9.321 1.00 0.00 H new ATOM 639 N ASP A 49 -1.396 7.373 7.117 1.00 0.00 N ATOM 640 CA ASP A 49 -0.614 8.570 7.407 1.00 0.00 C ATOM 641 C ASP A 49 -1.082 9.745 6.554 1.00 0.00 C ATOM 642 O ASP A 49 -1.014 10.899 6.977 1.00 0.00 O ATOM 643 CB ASP A 49 0.872 8.306 7.161 1.00 0.00 C ATOM 644 CG ASP A 49 1.744 9.478 7.567 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.242 10.371 8.281 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.928 9.502 7.173 1.00 0.00 O ATOM 0 H ASP A 49 -0.850 6.589 6.759 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.761 8.825 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.177 7.420 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.029 8.089 6.104 1.00 0.00 H new ATOM 651 N LEU A 50 -1.557 9.443 5.350 1.00 0.00 N ATOM 652 CA LEU A 50 -2.037 10.474 4.436 1.00 0.00 C ATOM 653 C LEU A 50 -3.311 11.121 4.967 1.00 0.00 C ATOM 654 O LEU A 50 -3.430 12.347 4.995 1.00 0.00 O ATOM 655 CB LEU A 50 -2.293 9.876 3.051 1.00 0.00 C ATOM 656 CG LEU A 50 -1.069 9.315 2.325 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.474 8.187 1.391 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.355 10.417 1.556 1.00 0.00 C ATOM 0 H LEU A 50 -1.620 8.493 4.984 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.268 11.242 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.028 9.077 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.742 10.645 2.423 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.381 8.913 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.591 7.800 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.941 7.388 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.182 8.563 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.513 10.001 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.036 10.848 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.031 11.193 2.249 1.00 0.00 H new ATOM 670 N ILE A 51 -4.260 10.292 5.387 1.00 0.00 N ATOM 671 CA ILE A 51 -5.524 10.785 5.919 1.00 0.00 C ATOM 672 C ILE A 51 -5.295 11.707 7.112 1.00 0.00 C ATOM 673 O ILE A 51 -6.111 12.585 7.395 1.00 0.00 O ATOM 674 CB ILE A 51 -6.444 9.627 6.350 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.740 8.712 5.159 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.736 10.169 6.942 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.059 7.288 5.555 1.00 0.00 C ATOM 0 H ILE A 51 -4.178 9.275 5.369 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.007 11.343 5.117 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.934 9.043 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.580 9.121 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.879 8.710 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.375 9.339 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.508 10.784 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.252 10.774 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.258 6.698 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.211 6.861 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.938 7.278 6.199 1.00 0.00 H new ATOM 689 N GLU A 52 -4.181 11.504 7.806 1.00 0.00 N ATOM 690 CA GLU A 52 -3.845 12.318 8.968 1.00 0.00 C ATOM 691 C GLU A 52 -3.438 13.727 8.545 1.00 0.00 C ATOM 692 O GLU A 52 -3.583 14.682 9.308 1.00 0.00 O ATOM 693 CB GLU A 52 -2.713 11.667 9.766 1.00 0.00 C ATOM 694 CG GLU A 52 -3.115 10.366 10.439 1.00 0.00 C ATOM 695 CD GLU A 52 -4.196 10.557 11.484 1.00 0.00 C ATOM 696 OE1 GLU A 52 -4.421 11.713 11.900 1.00 0.00 O ATOM 697 OE2 GLU A 52 -4.818 9.552 11.883 1.00 0.00 O ATOM 0 H GLU A 52 -3.495 10.782 7.584 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.731 12.387 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.872 11.477 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.366 12.367 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.467 9.664 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.238 9.918 10.907 1.00 0.00 H new ATOM 704 N GLU A 53 -2.928 13.848 7.323 1.00 0.00 N ATOM 705 CA GLU A 53 -2.499 15.140 6.799 1.00 0.00 C ATOM 706 C GLU A 53 -3.422 15.605 5.677 1.00 0.00 C ATOM 707 O GLU A 53 -3.097 16.533 4.935 1.00 0.00 O ATOM 708 CB GLU A 53 -1.059 15.055 6.289 1.00 0.00 C ATOM 709 CG GLU A 53 -0.817 13.894 5.339 1.00 0.00 C ATOM 710 CD GLU A 53 0.560 13.936 4.706 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.487 14.488 5.335 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.711 13.415 3.581 1.00 0.00 O ATOM 0 H GLU A 53 -2.802 13.068 6.678 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.547 15.867 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.806 15.987 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.386 14.963 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.935 12.955 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.574 13.907 4.555 1.00 0.00 H new ATOM 719 N LYS A 54 -4.574 14.954 5.557 1.00 0.00 N ATOM 720 CA LYS A 54 -5.546 15.300 4.527 1.00 0.00 C ATOM 721 C LYS A 54 -4.972 15.058 3.135 1.00 0.00 C ATOM 722 O LYS A 54 -5.505 15.548 2.139 1.00 0.00 O ATOM 723 CB LYS A 54 -5.971 16.763 4.668 1.00 0.00 C ATOM 724 CG LYS A 54 -6.272 17.174 6.099 1.00 0.00 C ATOM 725 CD LYS A 54 -7.565 17.966 6.191 1.00 0.00 C ATOM 726 CE LYS A 54 -7.831 18.435 7.613 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.449 19.790 7.644 1.00 0.00 N ATOM 0 H LYS A 54 -4.857 14.183 6.161 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.419 14.661 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.180 17.402 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.856 16.936 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.343 16.286 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.449 17.773 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.513 18.828 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.396 17.349 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.489 17.724 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.895 18.450 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.615 20.074 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.810 20.473 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.355 19.770 7.133 1.00 0.00 H new ATOM 741 N ASP A 55 -3.884 14.299 3.073 1.00 0.00 N ATOM 742 CA ASP A 55 -3.239 13.990 1.802 1.00 0.00 C ATOM 743 C ASP A 55 -3.704 12.636 1.272 1.00 0.00 C ATOM 744 O ASP A 55 -2.989 11.975 0.516 1.00 0.00 O ATOM 745 CB ASP A 55 -1.717 13.993 1.962 1.00 0.00 C ATOM 746 CG ASP A 55 -0.996 14.207 0.647 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.517 14.963 -0.199 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.090 13.617 0.462 1.00 0.00 O ATOM 0 H ASP A 55 -3.430 13.886 3.888 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.522 14.759 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.430 14.778 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.399 13.046 2.397 1.00 0.00 H new ATOM 753 N LEU A 56 -4.903 12.230 1.672 1.00 0.00 N ATOM 754 CA LEU A 56 -5.463 10.955 1.238 1.00 0.00 C ATOM 755 C LEU A 56 -5.902 11.022 -0.221 1.00 0.00 C ATOM 756 O LEU A 56 -6.259 10.006 -0.818 1.00 0.00 O ATOM 757 CB LEU A 56 -6.650 10.570 2.123 1.00 0.00 C ATOM 758 CG LEU A 56 -7.569 11.715 2.550 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.011 12.524 1.341 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.776 11.178 3.305 1.00 0.00 C ATOM 0 H LEU A 56 -5.507 12.765 2.296 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.687 10.195 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.248 9.830 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.266 10.085 3.021 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.012 12.372 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.664 13.334 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.136 12.941 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.550 11.878 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.419 12.007 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.334 10.498 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.441 10.644 4.194 1.00 0.00 H new ATOM 772 N GLU A 57 -5.872 12.223 -0.788 1.00 0.00 N ATOM 773 CA GLU A 57 -6.265 12.421 -2.179 1.00 0.00 C ATOM 774 C GLU A 57 -5.462 11.513 -3.106 1.00 0.00 C ATOM 775 O GLU A 57 -6.005 10.927 -4.042 1.00 0.00 O ATOM 776 CB GLU A 57 -6.070 13.883 -2.585 1.00 0.00 C ATOM 777 CG GLU A 57 -7.205 14.793 -2.143 1.00 0.00 C ATOM 778 CD GLU A 57 -7.368 16.001 -3.047 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.666 15.808 -4.244 1.00 0.00 O ATOM 780 OE2 GLU A 57 -7.199 17.136 -2.556 1.00 0.00 O ATOM 0 H GLU A 57 -5.580 13.074 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.320 12.164 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.135 14.248 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.970 13.940 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.136 14.226 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.020 15.129 -1.123 1.00 0.00 H new ATOM 787 N LYS A 58 -4.166 11.402 -2.839 1.00 0.00 N ATOM 788 CA LYS A 58 -3.286 10.566 -3.646 1.00 0.00 C ATOM 789 C LYS A 58 -3.570 9.087 -3.407 1.00 0.00 C ATOM 790 O LYS A 58 -3.624 8.295 -4.349 1.00 0.00 O ATOM 791 CB LYS A 58 -1.821 10.874 -3.326 1.00 0.00 C ATOM 792 CG LYS A 58 -1.212 11.935 -4.226 1.00 0.00 C ATOM 793 CD LYS A 58 -0.030 12.620 -3.558 1.00 0.00 C ATOM 794 CE LYS A 58 -0.445 13.918 -2.884 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.838 14.957 -3.877 1.00 0.00 N ATOM 0 H LYS A 58 -3.701 11.882 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.477 10.789 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.745 11.202 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.238 9.957 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.888 11.478 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.969 12.677 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.410 11.950 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.740 12.825 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.279 13.726 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.379 14.291 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.737 15.900 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.224 14.888 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.828 14.809 -4.161 1.00 0.00 H new ATOM 809 N LEU A 59 -3.753 8.721 -2.143 1.00 0.00 N ATOM 810 CA LEU A 59 -4.034 7.336 -1.781 1.00 0.00 C ATOM 811 C LEU A 59 -5.281 6.828 -2.498 1.00 0.00 C ATOM 812 O LEU A 59 -5.414 5.632 -2.760 1.00 0.00 O ATOM 813 CB LEU A 59 -4.215 7.211 -0.267 1.00 0.00 C ATOM 814 CG LEU A 59 -5.650 7.011 0.223 1.00 0.00 C ATOM 815 CD1 LEU A 59 -6.042 5.544 0.139 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.804 7.525 1.647 1.00 0.00 C ATOM 0 H LEU A 59 -3.712 9.364 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.186 6.726 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.613 6.373 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.814 8.109 0.202 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.317 7.582 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.066 5.420 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.971 5.207 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.370 4.952 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.831 7.375 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.127 6.981 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.565 8.588 1.678 1.00 0.00 H new ATOM 828 N ASP A 60 -6.190 7.744 -2.814 1.00 0.00 N ATOM 829 CA ASP A 60 -7.425 7.389 -3.504 1.00 0.00 C ATOM 830 C ASP A 60 -7.127 6.692 -4.827 1.00 0.00 C ATOM 831 O ASP A 60 -7.819 5.751 -5.216 1.00 0.00 O ATOM 832 CB ASP A 60 -8.273 8.637 -3.749 1.00 0.00 C ATOM 833 CG ASP A 60 -9.546 8.330 -4.514 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.356 7.522 -4.016 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.731 8.899 -5.611 1.00 0.00 O ATOM 0 H ASP A 60 -6.095 8.738 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.982 6.700 -2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.528 9.093 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.686 9.369 -4.304 1.00 0.00 H new ATOM 840 N LEU A 61 -6.092 7.160 -5.517 1.00 0.00 N ATOM 841 CA LEU A 61 -5.703 6.583 -6.799 1.00 0.00 C ATOM 842 C LEU A 61 -4.955 5.269 -6.599 1.00 0.00 C ATOM 843 O LEU A 61 -5.013 4.375 -7.444 1.00 0.00 O ATOM 844 CB LEU A 61 -4.829 7.567 -7.579 1.00 0.00 C ATOM 845 CG LEU A 61 -5.260 9.034 -7.529 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.158 9.933 -8.067 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.548 9.239 -8.312 1.00 0.00 C ATOM 0 H LEU A 61 -5.507 7.937 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.610 6.381 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.809 7.496 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.804 7.252 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.444 9.303 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.483 10.973 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.259 9.808 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.941 9.664 -9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.839 10.288 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.391 8.952 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.338 8.624 -7.881 1.00 0.00 H new ATOM 859 N VAL A 62 -4.253 5.158 -5.476 1.00 0.00 N ATOM 860 CA VAL A 62 -3.497 3.952 -5.163 1.00 0.00 C ATOM 861 C VAL A 62 -4.407 2.731 -5.104 1.00 0.00 C ATOM 862 O VAL A 62 -4.060 1.659 -5.601 1.00 0.00 O ATOM 863 CB VAL A 62 -2.753 4.088 -3.822 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.975 2.818 -3.510 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.828 5.296 -3.846 1.00 0.00 C ATOM 0 H VAL A 62 -4.192 5.889 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.769 3.820 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.489 4.237 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.456 2.934 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.664 1.975 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.247 2.634 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.310 5.377 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.097 5.179 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.413 6.199 -4.019 1.00 0.00 H new ATOM 875 N ILE A 63 -5.576 2.901 -4.495 1.00 0.00 N ATOM 876 CA ILE A 63 -6.538 1.812 -4.374 1.00 0.00 C ATOM 877 C ILE A 63 -6.904 1.246 -5.741 1.00 0.00 C ATOM 878 O ILE A 63 -7.088 0.039 -5.897 1.00 0.00 O ATOM 879 CB ILE A 63 -7.823 2.275 -3.660 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.482 2.927 -2.320 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.768 1.100 -3.458 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.716 2.020 -1.383 1.00 0.00 C ATOM 0 H ILE A 63 -5.880 3.781 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.061 1.033 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.322 3.015 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.894 3.827 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.405 3.242 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.671 1.442 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.033 0.675 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.278 0.339 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.509 2.549 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.310 1.131 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.776 1.725 -1.850 1.00 0.00 H new ATOM 894 N LYS A 64 -7.009 2.127 -6.731 1.00 0.00 N ATOM 895 CA LYS A 64 -7.350 1.717 -8.087 1.00 0.00 C ATOM 896 C LYS A 64 -6.175 1.009 -8.754 1.00 0.00 C ATOM 897 O LYS A 64 -6.361 0.161 -9.626 1.00 0.00 O ATOM 898 CB LYS A 64 -7.765 2.931 -8.921 1.00 0.00 C ATOM 899 CG LYS A 64 -8.862 3.763 -8.278 1.00 0.00 C ATOM 900 CD LYS A 64 -10.224 3.110 -8.441 1.00 0.00 C ATOM 901 CE LYS A 64 -10.560 2.217 -7.256 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.284 2.960 -6.188 1.00 0.00 N ATOM 0 H LYS A 64 -6.862 3.130 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.186 1.020 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.892 3.562 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.104 2.591 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.645 3.896 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.877 4.756 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.988 3.881 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.239 2.521 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.171 1.380 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.642 1.796 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.494 2.316 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.691 3.743 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.173 3.340 -6.571 1.00 0.00 H new ATOM 916 N TYR A 65 -4.964 1.360 -8.336 1.00 0.00 N ATOM 917 CA TYR A 65 -3.758 0.760 -8.892 1.00 0.00 C ATOM 918 C TYR A 65 -3.480 -0.597 -8.253 1.00 0.00 C ATOM 919 O TYR A 65 -3.000 -1.520 -8.910 1.00 0.00 O ATOM 920 CB TYR A 65 -2.559 1.687 -8.688 1.00 0.00 C ATOM 921 CG TYR A 65 -1.495 1.544 -9.753 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.783 1.792 -11.089 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.200 1.162 -9.422 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.813 1.662 -12.065 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.776 1.030 -10.391 1.00 0.00 C ATOM 926 CZ TYR A 65 0.464 1.281 -11.711 1.00 0.00 C ATOM 927 OH TYR A 65 1.433 1.151 -12.680 1.00 0.00 O ATOM 0 H TYR A 65 -4.792 2.058 -7.613 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.917 0.613 -9.960 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.908 2.720 -8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.115 1.484 -7.713 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.782 2.092 -11.370 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.047 0.965 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.054 1.858 -13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.777 0.732 -10.117 1.00 0.00 H new ATOM 0 HH TYR A 65 2.316 1.115 -12.257 1.00 0.00 H new ATOM 937 N MET A 66 -3.786 -0.711 -6.964 1.00 0.00 N ATOM 938 CA MET A 66 -3.572 -1.954 -6.234 1.00 0.00 C ATOM 939 C MET A 66 -4.613 -2.999 -6.623 1.00 0.00 C ATOM 940 O MET A 66 -4.278 -4.152 -6.898 1.00 0.00 O ATOM 941 CB MET A 66 -3.625 -1.702 -4.726 1.00 0.00 C ATOM 942 CG MET A 66 -2.255 -1.571 -4.083 1.00 0.00 C ATOM 943 SD MET A 66 -2.332 -1.544 -2.282 1.00 0.00 S ATOM 944 CE MET A 66 -3.523 -0.232 -2.013 1.00 0.00 C ATOM 0 H MET A 66 -4.183 0.043 -6.404 1.00 0.00 H new ATOM 0 HA MET A 66 -2.585 -2.334 -6.497 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.194 -0.791 -4.538 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.165 -2.520 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.627 -2.402 -4.403 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.778 -0.657 -4.436 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.117 0.488 -1.302 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.731 0.270 -2.958 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.446 -0.654 -1.615 1.00 0.00 H new ATOM 954 N LYS A 67 -5.877 -2.590 -6.645 1.00 0.00 N ATOM 955 CA LYS A 67 -6.967 -3.490 -7.001 1.00 0.00 C ATOM 956 C LYS A 67 -6.743 -4.097 -8.383 1.00 0.00 C ATOM 957 O LYS A 67 -7.070 -5.258 -8.622 1.00 0.00 O ATOM 958 CB LYS A 67 -8.302 -2.743 -6.971 1.00 0.00 C ATOM 959 CG LYS A 67 -8.439 -1.698 -8.064 1.00 0.00 C ATOM 960 CD LYS A 67 -9.789 -1.002 -8.004 1.00 0.00 C ATOM 961 CE LYS A 67 -10.909 -1.917 -8.474 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.707 -2.366 -9.880 1.00 0.00 N ATOM 0 H LYS A 67 -6.172 -1.640 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.992 -4.297 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.114 -3.464 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.416 -2.259 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.643 -0.960 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.315 -2.171 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.987 -0.678 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.765 -0.106 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.966 -2.787 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.862 -1.395 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.606 -2.722 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.377 -1.565 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.996 -3.125 -9.903 1.00 0.00 H new ATOM 976 N ARG A 68 -6.181 -3.302 -9.289 1.00 0.00 N ATOM 977 CA ARG A 68 -5.913 -3.760 -10.646 1.00 0.00 C ATOM 978 C ARG A 68 -4.630 -4.586 -10.698 1.00 0.00 C ATOM 979 O ARG A 68 -4.435 -5.394 -11.606 1.00 0.00 O ATOM 980 CB ARG A 68 -5.804 -2.568 -11.599 1.00 0.00 C ATOM 981 CG ARG A 68 -4.573 -1.708 -11.358 1.00 0.00 C ATOM 982 CD ARG A 68 -4.382 -0.687 -12.469 1.00 0.00 C ATOM 983 NE ARG A 68 -5.039 0.581 -12.166 1.00 0.00 N ATOM 984 CZ ARG A 68 -6.304 0.845 -12.475 1.00 0.00 C ATOM 985 NH1 ARG A 68 -7.044 -0.065 -13.092 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.832 2.024 -12.165 1.00 0.00 N ATOM 0 H ARG A 68 -5.903 -2.338 -9.107 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.744 -4.391 -10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.786 -2.934 -12.625 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.695 -1.949 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.668 -1.194 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.690 -2.344 -11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.317 -0.515 -12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.780 -1.087 -13.402 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.498 1.303 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.643 -0.972 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.015 0.141 -13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.266 2.727 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.803 2.226 -12.402 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.758 -4.376 -9.717 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.493 -5.100 -9.651 1.00 0.00 C ATOM 1002 C LEU A 69 -2.693 -6.492 -9.061 1.00 0.00 C ATOM 1003 O LEU A 69 -2.334 -7.495 -9.678 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.481 -4.319 -8.812 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.729 -3.200 -9.535 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -0.183 -2.191 -8.536 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.395 -3.775 -10.384 1.00 0.00 C ATOM 0 H LEU A 69 -3.904 -3.711 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.110 -5.207 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.004 -3.886 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.750 -5.022 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.428 -2.685 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.349 -1.403 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.007 -1.755 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.501 -2.691 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.919 -2.965 -10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.094 -4.315 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.021 -4.457 -11.125 1.00 0.00 H new ATOM 1019 N MET A 70 -3.270 -6.546 -7.865 1.00 0.00 N ATOM 1020 CA MET A 70 -3.520 -7.816 -7.194 1.00 0.00 C ATOM 1021 C MET A 70 -4.443 -8.699 -8.029 1.00 0.00 C ATOM 1022 O MET A 70 -4.418 -9.923 -7.911 1.00 0.00 O ATOM 1023 CB MET A 70 -4.136 -7.576 -5.815 1.00 0.00 C ATOM 1024 CG MET A 70 -3.109 -7.264 -4.738 1.00 0.00 C ATOM 1025 SD MET A 70 -3.464 -5.727 -3.864 1.00 0.00 S ATOM 1026 CE MET A 70 -1.929 -5.480 -2.976 1.00 0.00 C ATOM 0 H MET A 70 -3.573 -5.725 -7.341 1.00 0.00 H new ATOM 0 HA MET A 70 -2.566 -8.329 -7.073 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.844 -6.750 -5.881 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.703 -8.459 -5.520 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.078 -8.086 -4.022 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.120 -7.199 -5.192 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.892 -4.461 -2.591 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.871 -6.184 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.088 -5.644 -3.650 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.255 -8.068 -8.871 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.187 -8.797 -9.724 1.00 0.00 C ATOM 1038 C GLN A 71 -5.439 -9.702 -10.697 1.00 0.00 C ATOM 1039 O GLN A 71 -5.822 -10.853 -10.907 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.075 -7.821 -10.496 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.444 -7.616 -9.868 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.336 -8.834 -10.004 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.873 -9.924 -10.340 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.626 -8.655 -9.742 1.00 0.00 N ATOM 0 H GLN A 71 -5.287 -7.054 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.814 -9.420 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.568 -6.858 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.203 -8.187 -11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.323 -7.375 -8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.930 -6.760 -10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.967 -7.734 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.275 -9.438 -9.816 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.373 -9.174 -11.289 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.572 -9.934 -12.240 1.00 0.00 C ATOM 1055 C GLN A 72 -3.015 -11.200 -11.596 1.00 0.00 C ATOM 1056 O GLN A 72 -2.664 -12.157 -12.285 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.426 -9.076 -12.778 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.216 -9.034 -11.860 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.553 -7.670 -11.829 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.920 -6.772 -12.588 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.428 -7.507 -10.950 1.00 0.00 N ATOM 0 H GLN A 72 -4.044 -8.222 -11.127 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.219 -10.224 -13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.121 -9.461 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.787 -8.060 -12.936 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.521 -9.308 -10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.491 -9.779 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.700 -8.278 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.910 -6.611 -10.884 1.00 0.00 H new ATOM 1070 N SER A 73 -2.937 -11.196 -10.268 1.00 0.00 N ATOM 1071 CA SER A 73 -2.419 -12.342 -9.530 1.00 0.00 C ATOM 1072 C SER A 73 -3.542 -13.312 -9.175 1.00 0.00 C ATOM 1073 O SER A 73 -4.699 -12.916 -9.039 1.00 0.00 O ATOM 1074 CB SER A 73 -1.708 -11.876 -8.257 1.00 0.00 C ATOM 1075 OG SER A 73 -0.504 -11.198 -8.565 1.00 0.00 O ATOM 0 H SER A 73 -3.226 -10.412 -9.682 1.00 0.00 H new ATOM 0 HA SER A 73 -1.703 -12.861 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.365 -11.217 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.493 -12.735 -7.622 1.00 0.00 H new ATOM 0 HG SER A 73 -0.070 -10.909 -7.735 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.190 -14.585 -9.025 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.166 -15.613 -8.683 1.00 0.00 C ATOM 1083 C VAL A 74 -3.989 -16.083 -7.244 1.00 0.00 C ATOM 1084 O VAL A 74 -4.901 -16.660 -6.653 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.055 -16.827 -9.625 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.160 -16.387 -11.078 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.755 -17.575 -9.378 1.00 0.00 C ATOM 0 H VAL A 74 -2.236 -14.929 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.152 -15.163 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.882 -17.505 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.079 -17.258 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.121 -15.899 -11.242 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.355 -15.688 -11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.693 -18.429 -10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.912 -16.908 -9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.727 -17.924 -8.346 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.810 -15.831 -6.686 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.513 -16.229 -5.314 1.00 0.00 C ATOM 1099 C GLU A 75 -3.595 -15.731 -4.358 1.00 0.00 C ATOM 1100 O GLU A 75 -3.853 -14.532 -4.266 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.149 -15.685 -4.885 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.037 -15.980 -5.878 1.00 0.00 C ATOM 1103 CD GLU A 75 0.031 -17.448 -6.259 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.030 -18.300 -5.349 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.143 -17.741 -7.467 1.00 0.00 O ATOM 0 H GLU A 75 -2.045 -15.353 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.490 -17.318 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.224 -14.606 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.884 -16.113 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.189 -15.382 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.918 -15.675 -5.450 1.00 0.00 H new ATOM 1112 N SER A 76 -4.222 -16.664 -3.649 1.00 0.00 N ATOM 1113 CA SER A 76 -5.278 -16.322 -2.703 1.00 0.00 C ATOM 1114 C SER A 76 -4.754 -15.387 -1.618 1.00 0.00 C ATOM 1115 O SER A 76 -5.521 -14.667 -0.978 1.00 0.00 O ATOM 1116 CB SER A 76 -5.852 -17.590 -2.066 1.00 0.00 C ATOM 1117 OG SER A 76 -4.873 -18.256 -1.289 1.00 0.00 O ATOM 0 H SER A 76 -4.018 -17.661 -3.711 1.00 0.00 H new ATOM 0 HA SER A 76 -6.069 -15.808 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.705 -17.332 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.219 -18.258 -2.845 1.00 0.00 H new ATOM 0 HG SER A 76 -5.264 -19.062 -0.891 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.440 -15.402 -1.417 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.811 -14.555 -0.411 1.00 0.00 C ATOM 1125 C VAL A 77 -2.932 -13.081 -0.780 1.00 0.00 C ATOM 1126 O VAL A 77 -3.128 -12.228 0.086 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.323 -14.908 -0.230 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.577 -14.766 -1.548 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.694 -14.033 0.844 1.00 0.00 C ATOM 0 H VAL A 77 -2.791 -15.992 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.336 -14.736 0.527 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.251 -15.947 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.473 -15.019 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.013 -15.439 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.656 -13.738 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.357 -14.296 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.776 -12.985 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.212 -14.189 1.790 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.814 -12.788 -2.070 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.910 -11.416 -2.554 1.00 0.00 C ATOM 1141 C TRP A 78 -4.359 -10.941 -2.559 1.00 0.00 C ATOM 1142 O TRP A 78 -4.657 -9.825 -2.134 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.320 -11.308 -3.961 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.835 -11.104 -3.968 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.110 -11.982 -4.414 1.00 0.00 C ATOM 1146 CD2 TRP A 78 -0.127 -9.948 -3.507 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.365 -11.442 -4.258 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.245 -10.194 -3.705 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.519 -8.727 -2.950 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.225 -9.266 -3.362 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.454 -7.807 -2.610 1.00 0.00 C ATOM 1152 CH2 TRP A 78 1.814 -8.080 -2.817 1.00 0.00 C ATOM 0 H TRP A 78 -2.652 -13.482 -2.799 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.340 -10.778 -1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.558 -12.215 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.796 -10.479 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.097 -12.957 -4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.242 -11.896 -4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.564 -8.507 -2.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.273 -9.475 -3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.162 -6.861 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.551 -7.340 -2.541 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.256 -11.794 -3.042 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.674 -11.460 -3.102 1.00 0.00 C ATOM 1165 C ASN A 79 -7.239 -11.233 -1.703 1.00 0.00 C ATOM 1166 O ASN A 79 -7.936 -10.250 -1.456 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.453 -12.574 -3.805 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.057 -12.728 -5.261 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.570 -12.023 -6.131 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.141 -13.650 -5.531 1.00 0.00 N ATOM 0 H ASN A 79 -5.026 -12.722 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.780 -10.537 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.284 -13.516 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.520 -12.362 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.834 -13.798 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.744 -14.211 -4.777 1.00 0.00 H new ATOM 1177 N MET A 80 -6.933 -12.151 -0.792 1.00 0.00 N ATOM 1178 CA MET A 80 -7.410 -12.050 0.583 1.00 0.00 C ATOM 1179 C MET A 80 -6.762 -10.867 1.297 1.00 0.00 C ATOM 1180 O MET A 80 -7.377 -10.238 2.157 1.00 0.00 O ATOM 1181 CB MET A 80 -7.114 -13.344 1.344 1.00 0.00 C ATOM 1182 CG MET A 80 -7.827 -14.559 0.775 1.00 0.00 C ATOM 1183 SD MET A 80 -9.494 -14.756 1.432 1.00 0.00 S ATOM 1184 CE MET A 80 -9.163 -15.689 2.924 1.00 0.00 C ATOM 0 H MET A 80 -6.358 -12.972 -0.980 1.00 0.00 H new ATOM 0 HA MET A 80 -8.488 -11.891 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.039 -13.525 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.405 -13.217 2.387 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.876 -14.471 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.245 -15.454 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.100 -15.890 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.683 -16.633 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.504 -15.114 3.574 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.518 -10.572 0.934 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.790 -9.463 1.539 1.00 0.00 C ATOM 1196 C ALA A 81 -5.352 -8.122 1.081 1.00 0.00 C ATOM 1197 O ALA A 81 -5.446 -7.177 1.865 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.308 -9.560 1.203 1.00 0.00 C ATOM 0 H ALA A 81 -4.994 -11.085 0.225 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.912 -9.527 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.776 -8.726 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.909 -10.499 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.177 -9.524 0.121 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.723 -8.045 -0.193 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.274 -6.817 -0.755 1.00 0.00 C ATOM 1206 C PHE A 82 -7.539 -6.398 -0.011 1.00 0.00 C ATOM 1207 O PHE A 82 -7.652 -5.263 0.452 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.583 -7.006 -2.242 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.366 -5.873 -2.841 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.872 -4.579 -2.805 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.595 -6.101 -3.438 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.591 -3.534 -3.355 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.318 -5.061 -3.990 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.815 -3.775 -3.949 1.00 0.00 C ATOM 0 H PHE A 82 -5.652 -8.818 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.529 -6.029 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.646 -7.118 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.142 -7.933 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.916 -4.385 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.993 -7.104 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.196 -2.529 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.275 -5.253 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.377 -2.960 -4.380 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.487 -7.322 0.100 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.743 -7.049 0.789 1.00 0.00 C ATOM 1226 C ASP A 83 -9.487 -6.478 2.179 1.00 0.00 C ATOM 1227 O ASP A 83 -10.225 -5.612 2.652 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.579 -8.325 0.893 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.053 -8.820 -0.459 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -11.326 -7.974 -1.338 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.151 -10.051 -0.640 1.00 0.00 O ATOM 0 H ASP A 83 -8.410 -8.266 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.295 -6.309 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.988 -9.104 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.443 -8.139 1.531 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.439 -6.968 2.832 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.088 -6.509 4.170 1.00 0.00 C ATOM 1238 C PHE A 84 -7.436 -5.131 4.118 1.00 0.00 C ATOM 1239 O PHE A 84 -7.853 -4.207 4.819 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.144 -7.507 4.844 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.651 -7.053 6.188 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.529 -6.247 6.294 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.311 -7.432 7.347 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.074 -5.826 7.530 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.860 -7.015 8.585 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.739 -6.212 8.676 1.00 0.00 C ATOM 0 H PHE A 84 -7.817 -7.684 2.456 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.005 -6.436 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.658 -8.461 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.288 -7.682 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.003 -5.944 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.187 -8.060 7.282 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.199 -5.196 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.383 -7.316 9.480 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.384 -5.887 9.643 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.410 -4.999 3.284 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.700 -3.734 3.139 1.00 0.00 C ATOM 1258 C ILE A 85 -6.670 -2.588 2.868 1.00 0.00 C ATOM 1259 O ILE A 85 -6.708 -1.605 3.610 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.665 -3.795 2.001 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.630 -4.887 2.282 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.986 -2.446 1.829 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.103 -5.556 1.032 1.00 0.00 C ATOM 0 H ILE A 85 -6.052 -5.753 2.698 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.181 -3.554 4.081 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.182 -4.040 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.795 -4.452 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.077 -5.643 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.257 -2.506 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.734 -1.690 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.479 -2.173 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.374 -6.319 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.928 -6.021 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.626 -4.812 0.394 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.452 -2.721 1.804 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.424 -1.698 1.435 1.00 0.00 C ATOM 1277 C LEU A 86 -9.431 -1.475 2.558 1.00 0.00 C ATOM 1278 O LEU A 86 -9.837 -0.344 2.825 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.153 -2.097 0.151 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.116 -3.280 0.266 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.501 -2.801 0.670 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.176 -4.049 -1.046 1.00 0.00 C ATOM 0 H LEU A 86 -7.432 -3.528 1.180 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.886 -0.766 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.712 -1.233 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.407 -2.334 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.746 -3.952 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.173 -3.655 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.444 -2.296 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.880 -2.108 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.866 -4.887 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.522 -3.387 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.183 -4.424 -1.294 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.830 -2.560 3.211 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.789 -2.483 4.308 1.00 0.00 C ATOM 1296 C ASP A 87 -10.210 -1.700 5.482 1.00 0.00 C ATOM 1297 O ASP A 87 -10.937 -1.028 6.212 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.189 -3.887 4.763 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.824 -3.890 6.140 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.017 -3.533 6.244 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.130 -4.250 7.112 1.00 0.00 O ATOM 0 H ASP A 87 -9.505 -3.504 3.001 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.675 -1.960 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.887 -4.314 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.308 -4.528 4.771 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.896 -1.791 5.656 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.219 -1.092 6.744 1.00 0.00 C ATOM 1308 C ASN A 88 -8.211 0.414 6.500 1.00 0.00 C ATOM 1309 O ASN A 88 -8.514 1.200 7.398 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.784 -1.604 6.892 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.672 -2.724 7.907 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.767 -2.730 8.743 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.592 -3.679 7.839 1.00 0.00 N ATOM 0 H ASN A 88 -8.279 -2.341 5.059 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.765 -1.290 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.425 -1.957 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.136 -0.780 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.567 -4.459 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.324 -3.633 7.130 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.864 0.808 5.279 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.819 2.221 4.916 1.00 0.00 C ATOM 1322 C VAL A 89 -9.223 2.801 4.793 1.00 0.00 C ATOM 1323 O VAL A 89 -9.438 3.986 5.043 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.068 2.434 3.589 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.627 1.962 3.707 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.781 1.717 2.452 1.00 0.00 C ATOM 0 H VAL A 89 -7.610 0.170 4.525 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.285 2.737 5.714 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.058 3.501 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.113 2.121 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.123 2.526 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.611 0.901 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.236 1.878 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.825 0.649 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.793 2.109 2.353 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.174 1.958 4.407 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.559 2.389 4.250 1.00 0.00 C ATOM 1338 C GLN A 90 -12.233 2.559 5.609 1.00 0.00 C ATOM 1339 O GLN A 90 -13.070 3.442 5.791 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.337 1.380 3.405 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.961 1.403 1.931 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.634 2.532 1.176 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.686 2.344 0.564 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.029 3.713 1.214 1.00 0.00 N ATOM 0 H GLN A 90 -10.012 0.973 4.197 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.558 3.353 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.165 0.379 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.404 1.582 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.880 1.502 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.235 0.452 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.158 3.824 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.435 4.510 0.724 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.861 1.706 6.558 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.430 1.763 7.900 1.00 0.00 C ATOM 1355 C VAL A 91 -11.890 2.959 8.675 1.00 0.00 C ATOM 1356 O VAL A 91 -12.651 3.727 9.264 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.131 0.475 8.690 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.358 0.697 10.178 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.986 -0.674 8.178 1.00 0.00 C ATOM 0 H VAL A 91 -11.169 0.968 6.423 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.509 1.867 7.783 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.084 0.213 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.142 -0.223 10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.699 1.490 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.396 0.984 10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.762 -1.576 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.040 -0.423 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.769 -0.847 7.124 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.569 3.112 8.673 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.926 4.216 9.376 1.00 0.00 C ATOM 1371 C VAL A 92 -10.520 5.555 8.954 1.00 0.00 C ATOM 1372 O VAL A 92 -10.797 6.414 9.792 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.407 4.236 9.117 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.119 4.234 7.623 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.769 5.442 9.790 1.00 0.00 C ATOM 0 H VAL A 92 -9.924 2.485 8.192 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.104 4.062 10.440 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.970 3.335 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.041 4.248 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.542 3.336 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.567 5.116 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.696 5.441 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.209 6.356 9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.945 5.394 10.865 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.713 5.727 7.652 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.275 6.963 7.118 1.00 0.00 C ATOM 1387 C LEU A 93 -12.774 7.042 7.392 1.00 0.00 C ATOM 1388 O LEU A 93 -13.341 8.131 7.480 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.015 7.057 5.614 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.122 6.521 4.706 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.132 7.615 4.393 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.532 5.954 3.422 1.00 0.00 C ATOM 0 H LEU A 93 -10.489 5.026 6.946 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.788 7.800 7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.840 8.103 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.096 6.516 5.390 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.638 5.717 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.913 7.215 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.578 7.974 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.630 8.440 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.335 5.577 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.990 6.738 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.848 5.140 3.664 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.407 5.881 7.527 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.840 5.820 7.792 1.00 0.00 C ATOM 1406 C GLN A 94 -15.157 6.339 9.191 1.00 0.00 C ATOM 1407 O GLN A 94 -16.272 6.787 9.458 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.347 4.385 7.641 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.749 4.175 8.189 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.242 2.753 8.001 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.362 2.528 7.541 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.406 1.785 8.355 1.00 0.00 N ATOM 0 H GLN A 94 -12.951 4.971 7.457 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.346 6.455 7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.334 4.113 6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.661 3.710 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.761 4.422 9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.435 4.862 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.487 2.017 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.682 0.809 8.250 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.171 6.274 10.078 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.345 6.737 11.450 1.00 0.00 C ATOM 1423 C GLN A 95 -14.225 8.255 11.532 1.00 0.00 C ATOM 1424 O GLN A 95 -14.902 8.901 12.333 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.313 6.080 12.368 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.276 4.565 12.258 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.882 3.895 13.559 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.736 3.532 14.369 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.581 3.727 13.768 1.00 0.00 N ATOM 0 H GLN A 95 -13.243 5.905 9.872 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.345 6.452 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.325 6.477 12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.530 6.356 13.400 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.257 4.203 11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.571 4.278 11.478 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.907 4.043 13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.256 3.282 14.626 1.00 0.00 H new ATOM 1438 N THR A 96 -13.357 8.821 10.699 1.00 0.00 N ATOM 1439 CA THR A 96 -13.146 10.263 10.678 1.00 0.00 C ATOM 1440 C THR A 96 -14.144 10.952 9.754 1.00 0.00 C ATOM 1441 O THR A 96 -14.554 12.085 10.002 1.00 0.00 O ATOM 1442 CB THR A 96 -11.717 10.615 10.223 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.442 11.994 10.494 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.538 10.339 8.738 1.00 0.00 C ATOM 0 H THR A 96 -12.789 8.302 10.030 1.00 0.00 H new ATOM 0 HA THR A 96 -13.294 10.618 11.698 1.00 0.00 H new ATOM 0 HB THR A 96 -11.018 9.990 10.779 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.531 12.209 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.521 10.595 8.440 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.719 9.282 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.246 10.941 8.168 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.533 10.258 8.690 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.483 10.805 7.728 1.00 0.00 C ATOM 1454 C TYR A 97 -16.898 10.316 8.021 1.00 0.00 C ATOM 1455 O TYR A 97 -17.825 11.111 8.162 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.081 10.414 6.305 1.00 0.00 C ATOM 1457 CG TYR A 97 -13.928 11.223 5.758 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.114 12.527 5.316 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.649 10.683 5.684 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.062 13.268 4.815 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.591 11.418 5.186 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.802 12.710 4.752 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.752 13.447 4.254 1.00 0.00 O ATOM 0 H TYR A 97 -14.206 9.317 8.472 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.468 11.891 7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.812 9.358 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -15.942 10.534 5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.098 12.969 5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.480 9.671 6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.225 14.280 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.604 10.983 5.137 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.004 13.418 4.886 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.054 8.998 8.113 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.358 8.424 8.390 1.00 0.00 C ATOM 1475 C GLY A 98 -18.813 7.466 7.305 1.00 0.00 C ATOM 1476 O GLY A 98 -19.726 6.668 7.516 1.00 0.00 O ATOM 0 H GLY A 98 -16.301 8.319 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.325 7.898 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.090 9.225 8.493 1.00 0.00 H new ATOM 1480 N SER A 99 -18.174 7.547 6.142 1.00 0.00 N ATOM 1481 CA SER A 99 -18.522 6.685 5.018 1.00 0.00 C ATOM 1482 C SER A 99 -17.272 6.061 4.407 1.00 0.00 C ATOM 1483 O SER A 99 -16.174 6.179 4.950 1.00 0.00 O ATOM 1484 CB SER A 99 -19.282 7.480 3.955 1.00 0.00 C ATOM 1485 OG SER A 99 -20.088 8.484 4.546 1.00 0.00 O ATOM 0 H SER A 99 -17.413 8.200 5.954 1.00 0.00 H new ATOM 0 HA SER A 99 -19.162 5.885 5.389 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.574 7.938 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.907 6.805 3.370 1.00 0.00 H new ATOM 0 HG SER A 99 -20.561 8.978 3.845 1.00 0.00 H new ATOM 1491 N THR A 100 -17.447 5.394 3.270 1.00 0.00 N ATOM 1492 CA THR A 100 -16.336 4.749 2.582 1.00 0.00 C ATOM 1493 C THR A 100 -16.444 4.928 1.072 1.00 0.00 C ATOM 1494 O THR A 100 -17.463 5.399 0.565 1.00 0.00 O ATOM 1495 CB THR A 100 -16.272 3.244 2.906 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.414 2.577 2.357 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.219 3.016 4.409 1.00 0.00 C ATOM 0 H THR A 100 -18.349 5.287 2.806 1.00 0.00 H new ATOM 0 HA THR A 100 -15.424 5.229 2.937 1.00 0.00 H new ATOM 0 HB THR A 100 -15.364 2.836 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.366 1.621 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.174 1.946 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.334 3.501 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.111 3.437 4.873 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.389 4.549 0.360 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.365 4.668 -1.094 1.00 0.00 C ATOM 1507 C LEU A 101 -15.762 3.351 -1.754 1.00 0.00 C ATOM 1508 O LEU A 101 -15.646 2.283 -1.152 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.974 5.091 -1.569 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.343 6.272 -0.830 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.830 6.247 -0.980 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.911 7.587 -1.344 1.00 0.00 C ATOM 0 H LEU A 101 -14.539 4.157 0.765 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.088 5.431 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.306 4.234 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.034 5.341 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.584 6.185 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.398 7.094 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.438 5.319 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.568 6.310 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.451 8.417 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.700 7.683 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.989 7.605 -1.184 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.228 3.434 -2.996 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.638 2.249 -3.741 1.00 0.00 C ATOM 1526 C LYS A 102 -15.446 1.611 -4.446 1.00 0.00 C ATOM 1527 O LYS A 102 -14.508 2.299 -4.850 1.00 0.00 O ATOM 1528 CB LYS A 102 -17.715 2.613 -4.764 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.065 1.477 -5.710 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.486 1.604 -6.234 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.996 0.283 -6.787 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.475 0.288 -6.960 1.00 0.00 N ATOM 0 H LYS A 102 -16.331 4.310 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.047 1.528 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.616 2.925 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.376 3.469 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.367 1.471 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.951 0.524 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.142 1.941 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.521 2.364 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.519 0.083 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.712 -0.526 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.783 -0.630 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.932 0.454 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.745 1.044 -7.622 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.489 0.290 -4.595 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.414 -0.440 -5.255 1.00 0.00 C ATOM 1548 C VAL A 103 -14.880 -1.020 -6.586 1.00 0.00 C ATOM 1549 O VAL A 103 -15.146 -2.217 -6.697 1.00 0.00 O ATOM 1550 CB VAL A 103 -13.886 -1.584 -4.368 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -15.028 -2.480 -3.914 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -12.829 -2.387 -5.110 1.00 0.00 C ATOM 0 H VAL A 103 -16.257 -0.296 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.610 0.274 -5.434 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.424 -1.150 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.635 -3.282 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.746 -1.893 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.523 -2.909 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.467 -3.191 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.264 -2.812 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.998 -1.734 -5.378 1.00 0.00 H new ATOM 1562 N THR A 104 -14.978 -0.161 -7.597 1.00 0.00 N ATOM 1563 CA THR A 104 -15.413 -0.587 -8.922 1.00 0.00 C ATOM 1564 C THR A 104 -14.349 -0.285 -9.971 1.00 0.00 C ATOM 1565 O THR A 104 -14.213 -1.011 -10.957 1.00 0.00 O ATOM 1566 CB THR A 104 -16.729 0.102 -9.329 1.00 0.00 C ATOM 1567 OG1 THR A 104 -17.103 -0.299 -10.652 1.00 0.00 O ATOM 1568 CG2 THR A 104 -16.588 1.616 -9.272 1.00 0.00 C ATOM 0 H THR A 104 -14.762 0.833 -7.523 1.00 0.00 H new ATOM 0 HA THR A 104 -15.576 -1.664 -8.872 1.00 0.00 H new ATOM 0 HB THR A 104 -17.505 -0.201 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 104 -17.941 0.142 -10.903 1.00 0.00 H new ATOM 0 HG21 THR A 104 -17.530 2.080 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 104 -16.333 1.920 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 104 -15.800 1.934 -9.955 1.00 0.00 H new TER 1576 THR A 104