USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc= 0.268 K(o=0.17,f=-5.2!) USER MOD Set 1.2: B 95 THR OG1 : rot 180:sc= -0.0985 USER MOD Set 2.1: A 10 CYS SG : rot 180:sc=-0.00769 USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.13) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.42) USER MOD Single : A 14 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.43) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.0221 (180deg=-0.697) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.39! C(o=-1.4!,f=-2.9!) USER MOD Single : A 33 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0.634 (180deg=0.27) USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.0879) USER MOD Single : A 47 GLN : amide:sc= -0.205 K(o=-0.2,f=-1.3!) USER MOD Single : A 48 THR OG1 : rot 53:sc= 0.259 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.19) USER MOD Single : A 56 ASN : amide:sc= -1.46 K(o=-1.5,f=-12!) USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.815 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.37) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.01 X(o=-1,f=-0.55) USER MOD Single : A 89 SER OG : rot -49:sc= 0.316 USER MOD Single : B 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 93 LYS NZ :NH3+ 178:sc= -0.888 (180deg=-0.903) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.086 10.883 -30.786 1.00 0.00 N ATOM 2 CA GLY A 1 5.546 11.156 -29.396 1.00 0.00 C ATOM 3 C GLY A 1 4.419 11.074 -28.382 1.00 0.00 C ATOM 4 O GLY A 1 3.874 12.101 -27.975 1.00 0.00 O ATOM 0 H1 GLY A 1 5.893 10.951 -31.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.681 9.927 -30.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.363 11.580 -31.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.324 10.441 -29.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.996 12.148 -29.354 1.00 0.00 H new ATOM 10 N SER A 2 4.070 9.855 -27.975 1.00 0.00 N ATOM 11 CA SER A 2 3.002 9.652 -27.001 1.00 0.00 C ATOM 12 C SER A 2 3.576 9.257 -25.641 1.00 0.00 C ATOM 13 O SER A 2 3.618 10.073 -24.721 1.00 0.00 O ATOM 14 CB SER A 2 2.015 8.588 -27.496 1.00 0.00 C ATOM 15 OG SER A 2 0.919 9.184 -28.168 1.00 0.00 O ATOM 0 H SER A 2 4.510 8.996 -28.304 1.00 0.00 H new ATOM 0 HA SER A 2 2.465 10.594 -26.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.526 7.898 -28.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.653 8.002 -26.651 1.00 0.00 H new ATOM 0 HG SER A 2 0.305 8.485 -28.476 1.00 0.00 H new ATOM 21 N HIS A 3 4.016 8.003 -25.518 1.00 0.00 N ATOM 22 CA HIS A 3 4.587 7.511 -24.264 1.00 0.00 C ATOM 23 C HIS A 3 6.015 8.024 -24.063 1.00 0.00 C ATOM 24 O HIS A 3 6.879 7.843 -24.922 1.00 0.00 O ATOM 25 CB HIS A 3 4.555 5.975 -24.209 1.00 0.00 C ATOM 26 CG HIS A 3 5.401 5.284 -25.245 1.00 0.00 C ATOM 27 ND1 HIS A 3 5.903 4.010 -25.068 1.00 0.00 N ATOM 28 CD2 HIS A 3 5.825 5.683 -26.470 1.00 0.00 C ATOM 29 CE1 HIS A 3 6.596 3.658 -26.137 1.00 0.00 C ATOM 30 NE2 HIS A 3 6.564 4.654 -27.000 1.00 0.00 N ATOM 0 H HIS A 3 3.988 7.313 -26.268 1.00 0.00 H new ATOM 0 HA HIS A 3 3.972 7.897 -23.451 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.884 5.655 -23.220 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.523 5.644 -24.324 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.620 6.633 -26.941 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.102 2.715 -26.279 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.016 4.659 -27.915 1.00 0.00 H new ATOM 39 N MET A 4 6.251 8.670 -22.918 1.00 0.00 N ATOM 40 CA MET A 4 7.568 9.218 -22.593 1.00 0.00 C ATOM 41 C MET A 4 7.568 9.850 -21.200 1.00 0.00 C ATOM 42 O MET A 4 7.253 11.033 -21.045 1.00 0.00 O ATOM 43 CB MET A 4 7.990 10.252 -23.644 1.00 0.00 C ATOM 44 CG MET A 4 9.377 10.007 -24.213 1.00 0.00 C ATOM 45 SD MET A 4 10.646 10.999 -23.402 1.00 0.00 S ATOM 46 CE MET A 4 11.942 9.782 -23.182 1.00 0.00 C ATOM 0 H MET A 4 5.544 8.826 -22.199 1.00 0.00 H new ATOM 0 HA MET A 4 8.287 8.398 -22.597 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.266 10.247 -24.459 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.960 11.246 -23.197 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.626 8.951 -24.110 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.373 10.231 -25.280 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.797 10.246 -22.691 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.571 8.963 -22.566 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.247 9.396 -24.154 1.00 0.00 H new ATOM 56 N GLY A 5 7.922 9.054 -20.188 1.00 0.00 N ATOM 57 CA GLY A 5 7.955 9.554 -18.822 1.00 0.00 C ATOM 58 C GLY A 5 8.523 8.543 -17.839 1.00 0.00 C ATOM 59 O GLY A 5 9.698 8.183 -17.923 1.00 0.00 O ATOM 0 H GLY A 5 8.186 8.074 -20.291 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.554 10.464 -18.787 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.945 9.825 -18.515 1.00 0.00 H new ATOM 63 N LEU A 6 7.685 8.084 -16.906 1.00 0.00 N ATOM 64 CA LEU A 6 8.108 7.106 -15.903 1.00 0.00 C ATOM 65 C LEU A 6 7.535 5.722 -16.213 1.00 0.00 C ATOM 66 O LEU A 6 6.691 5.575 -17.099 1.00 0.00 O ATOM 67 CB LEU A 6 7.667 7.551 -14.502 1.00 0.00 C ATOM 68 CG LEU A 6 8.676 8.418 -13.741 1.00 0.00 C ATOM 69 CD1 LEU A 6 8.512 9.884 -14.114 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.515 8.226 -12.239 1.00 0.00 C ATOM 0 H LEU A 6 6.711 8.374 -16.825 1.00 0.00 H new ATOM 0 HA LEU A 6 9.196 7.045 -15.931 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.733 8.105 -14.592 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.455 6.663 -13.907 1.00 0.00 H new ATOM 0 HG LEU A 6 9.681 8.105 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.237 10.483 -13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.677 10.008 -15.184 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.504 10.213 -13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.239 8.849 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.506 8.512 -11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.685 7.180 -11.986 1.00 0.00 H new ATOM 82 N VAL A 7 7.997 4.710 -15.477 1.00 0.00 N ATOM 83 CA VAL A 7 7.530 3.339 -15.671 1.00 0.00 C ATOM 84 C VAL A 7 6.625 2.895 -14.522 1.00 0.00 C ATOM 85 O VAL A 7 7.028 2.920 -13.356 1.00 0.00 O ATOM 86 CB VAL A 7 8.710 2.349 -15.800 1.00 0.00 C ATOM 87 CG1 VAL A 7 8.218 0.966 -16.205 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.739 2.863 -16.798 1.00 0.00 C ATOM 0 H VAL A 7 8.695 4.816 -14.741 1.00 0.00 H new ATOM 0 HA VAL A 7 6.960 3.331 -16.600 1.00 0.00 H new ATOM 0 HB VAL A 7 9.189 2.268 -14.824 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.067 0.288 -16.289 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.527 0.590 -15.450 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.707 1.029 -17.166 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.561 2.151 -16.873 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.271 2.981 -17.775 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.123 3.826 -16.461 1.00 0.00 H new ATOM 98 N GLN A 8 5.402 2.486 -14.861 1.00 0.00 N ATOM 99 CA GLN A 8 4.432 2.033 -13.865 1.00 0.00 C ATOM 100 C GLN A 8 4.398 0.506 -13.794 1.00 0.00 C ATOM 101 O GLN A 8 4.429 -0.172 -14.823 1.00 0.00 O ATOM 102 CB GLN A 8 3.039 2.578 -14.203 1.00 0.00 C ATOM 103 CG GLN A 8 1.966 2.203 -13.191 1.00 0.00 C ATOM 104 CD GLN A 8 0.688 1.716 -13.850 1.00 0.00 C ATOM 105 OE1 GLN A 8 -0.056 2.500 -14.439 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.426 0.417 -13.751 1.00 0.00 N ATOM 0 H GLN A 8 5.059 2.459 -15.821 1.00 0.00 H new ATOM 0 HA GLN A 8 4.737 2.413 -12.890 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.093 3.664 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.743 2.208 -15.185 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.350 1.425 -12.531 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.742 3.068 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.071 -0.197 -13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.420 0.034 -14.173 1.00 0.00 H new ATOM 115 N ARG A 9 4.335 -0.027 -12.573 1.00 0.00 N ATOM 116 CA ARG A 9 4.299 -1.473 -12.360 1.00 0.00 C ATOM 117 C ARG A 9 3.277 -1.850 -11.285 1.00 0.00 C ATOM 118 O ARG A 9 3.074 -1.109 -10.321 1.00 0.00 O ATOM 119 CB ARG A 9 5.687 -1.987 -11.956 1.00 0.00 C ATOM 120 CG ARG A 9 6.827 -1.392 -12.772 1.00 0.00 C ATOM 121 CD ARG A 9 7.995 -2.360 -12.893 1.00 0.00 C ATOM 122 NE ARG A 9 9.284 -1.667 -12.896 1.00 0.00 N ATOM 123 CZ ARG A 9 9.902 -1.228 -11.795 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.346 -1.391 -10.596 1.00 0.00 N ATOM 125 NH2 ARG A 9 11.080 -0.619 -11.894 1.00 0.00 N ATOM 0 H ARG A 9 4.308 0.524 -11.715 1.00 0.00 H new ATOM 0 HA ARG A 9 4.000 -1.940 -13.299 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.853 -1.765 -10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.706 -3.072 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.466 -1.131 -13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.167 -0.468 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.966 -3.068 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.893 -2.939 -13.811 1.00 0.00 H new ATOM 0 HE ARG A 9 9.740 -1.509 -13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.441 -1.854 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.825 -1.053 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.511 -0.487 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.553 -0.283 -11.055 1.00 0.00 H new ATOM 139 N CYS A 10 2.643 -3.011 -11.453 1.00 0.00 N ATOM 140 CA CYS A 10 1.652 -3.491 -10.494 1.00 0.00 C ATOM 141 C CYS A 10 2.222 -4.635 -9.657 1.00 0.00 C ATOM 142 O CYS A 10 2.593 -5.682 -10.193 1.00 0.00 O ATOM 143 CB CYS A 10 0.384 -3.953 -11.217 1.00 0.00 C ATOM 144 SG CYS A 10 -1.073 -4.076 -10.151 1.00 0.00 S ATOM 0 H CYS A 10 2.799 -3.635 -12.245 1.00 0.00 H new ATOM 0 HA CYS A 10 1.396 -2.666 -9.829 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.169 -3.259 -12.029 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.572 -4.926 -11.671 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.093 -4.471 -10.854 1.00 0.00 H new ATOM 150 N VAL A 11 2.291 -4.427 -8.344 1.00 0.00 N ATOM 151 CA VAL A 11 2.817 -5.438 -7.431 1.00 0.00 C ATOM 152 C VAL A 11 1.685 -6.156 -6.702 1.00 0.00 C ATOM 153 O VAL A 11 0.781 -5.518 -6.161 1.00 0.00 O ATOM 154 CB VAL A 11 3.772 -4.822 -6.387 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.429 -5.915 -5.554 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.826 -3.948 -7.059 1.00 0.00 C ATOM 0 H VAL A 11 1.989 -3.566 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 11 3.373 -6.152 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 11 3.185 -4.188 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.099 -5.462 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.661 -6.489 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.998 -6.577 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.486 -3.526 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.410 -4.552 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.336 -3.141 -7.603 1.00 0.00 H new ATOM 166 N ILE A 12 1.745 -7.486 -6.686 1.00 0.00 N ATOM 167 CA ILE A 12 0.728 -8.291 -6.018 1.00 0.00 C ATOM 168 C ILE A 12 1.218 -8.744 -4.643 1.00 0.00 C ATOM 169 O ILE A 12 2.128 -9.569 -4.539 1.00 0.00 O ATOM 170 CB ILE A 12 0.338 -9.528 -6.859 1.00 0.00 C ATOM 171 CG1 ILE A 12 0.029 -9.126 -8.306 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.857 -10.238 -6.235 1.00 0.00 C ATOM 173 CD1 ILE A 12 1.253 -9.064 -9.195 1.00 0.00 C ATOM 0 H ILE A 12 2.488 -8.028 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.155 -7.663 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 12 1.184 -10.216 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.680 -9.838 -8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.459 -8.152 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.120 -11.107 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.602 -10.561 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.705 -9.555 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.956 -8.773 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.955 -8.331 -8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.730 -10.043 -9.226 1.00 0.00 H new ATOM 185 N ILE A 13 0.606 -8.196 -3.596 1.00 0.00 N ATOM 186 CA ILE A 13 0.970 -8.529 -2.222 1.00 0.00 C ATOM 187 C ILE A 13 -0.099 -9.407 -1.574 1.00 0.00 C ATOM 188 O ILE A 13 -1.294 -9.123 -1.679 1.00 0.00 O ATOM 189 CB ILE A 13 1.169 -7.259 -1.361 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.119 -6.273 -2.052 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.700 -7.625 0.019 1.00 0.00 C ATOM 192 CD1 ILE A 13 1.913 -4.834 -1.625 1.00 0.00 C ATOM 0 H ILE A 13 -0.149 -7.515 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 13 1.913 -9.074 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 13 0.199 -6.776 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.148 -6.563 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.984 -6.346 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.833 -6.719 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.990 -8.283 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.658 -8.136 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.619 -4.193 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.895 -4.526 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.077 -4.746 -0.551 1.00 0.00 H new ATOM 204 N GLN A 14 0.338 -10.468 -0.898 1.00 0.00 N ATOM 205 CA GLN A 14 -0.584 -11.380 -0.224 1.00 0.00 C ATOM 206 C GLN A 14 -0.446 -11.263 1.293 1.00 0.00 C ATOM 207 O GLN A 14 0.602 -11.577 1.857 1.00 0.00 O ATOM 208 CB GLN A 14 -0.360 -12.838 -0.666 1.00 0.00 C ATOM 209 CG GLN A 14 1.063 -13.160 -1.108 1.00 0.00 C ATOM 210 CD GLN A 14 2.006 -13.377 0.062 1.00 0.00 C ATOM 211 OE1 GLN A 14 1.854 -14.331 0.825 1.00 0.00 O ATOM 212 NE2 GLN A 14 2.987 -12.493 0.210 1.00 0.00 N ATOM 0 H GLN A 14 1.323 -10.717 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.596 -11.093 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.627 -13.498 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.040 -13.063 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.052 -14.054 -1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.440 -12.346 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.077 -11.717 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.650 -12.591 0.979 1.00 0.00 H new ATOM 221 N LYS A 15 -1.516 -10.807 1.945 1.00 0.00 N ATOM 222 CA LYS A 15 -1.527 -10.647 3.397 1.00 0.00 C ATOM 223 C LYS A 15 -1.319 -11.989 4.096 1.00 0.00 C ATOM 224 O LYS A 15 -1.874 -13.008 3.678 1.00 0.00 O ATOM 225 CB LYS A 15 -2.849 -10.021 3.847 1.00 0.00 C ATOM 226 CG LYS A 15 -2.878 -9.658 5.324 1.00 0.00 C ATOM 227 CD LYS A 15 -4.230 -9.963 5.952 1.00 0.00 C ATOM 228 CE LYS A 15 -4.732 -8.805 6.803 1.00 0.00 C ATOM 229 NZ LYS A 15 -3.722 -8.365 7.808 1.00 0.00 N ATOM 0 H LYS A 15 -2.388 -10.542 1.488 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.705 -9.986 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.036 -9.124 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.661 -10.716 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.099 -10.211 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.652 -8.598 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.955 -10.178 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.151 -10.859 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.988 -7.966 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.646 -9.103 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.205 -7.909 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.190 -9.191 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.066 -7.689 7.368 1.00 0.00 H new ATOM 243 N ASP A 16 -0.515 -11.981 5.157 1.00 0.00 N ATOM 244 CA ASP A 16 -0.222 -13.191 5.917 1.00 0.00 C ATOM 245 C ASP A 16 -0.576 -13.003 7.392 1.00 0.00 C ATOM 246 O ASP A 16 -1.033 -11.931 7.793 1.00 0.00 O ATOM 247 CB ASP A 16 1.262 -13.543 5.766 1.00 0.00 C ATOM 248 CG ASP A 16 1.522 -15.037 5.741 1.00 0.00 C ATOM 249 OD1 ASP A 16 0.670 -15.787 5.218 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.587 -15.458 6.239 1.00 0.00 O ATOM 0 H ASP A 16 -0.053 -11.143 5.511 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.828 -14.009 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.642 -13.099 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.820 -13.097 6.589 1.00 0.00 H new ATOM 255 N ASP A 17 -0.359 -14.044 8.196 1.00 0.00 N ATOM 256 CA ASP A 17 -0.654 -13.981 9.630 1.00 0.00 C ATOM 257 C ASP A 17 0.118 -12.841 10.299 1.00 0.00 C ATOM 258 O ASP A 17 -0.381 -12.205 11.226 1.00 0.00 O ATOM 259 CB ASP A 17 -0.311 -15.311 10.306 1.00 0.00 C ATOM 260 CG ASP A 17 -1.469 -16.294 10.292 1.00 0.00 C ATOM 261 OD1 ASP A 17 -2.612 -15.876 10.575 1.00 0.00 O ATOM 262 OD2 ASP A 17 -1.230 -17.484 9.996 1.00 0.00 O ATOM 0 H ASP A 17 0.018 -14.938 7.882 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.721 -13.789 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.546 -15.759 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.012 -15.123 11.337 1.00 0.00 H new ATOM 267 N ASN A 18 1.338 -12.590 9.820 1.00 0.00 N ATOM 268 CA ASN A 18 2.174 -11.526 10.374 1.00 0.00 C ATOM 269 C ASN A 18 1.813 -10.157 9.783 1.00 0.00 C ATOM 270 O ASN A 18 2.221 -9.123 10.315 1.00 0.00 O ATOM 271 CB ASN A 18 3.655 -11.831 10.121 1.00 0.00 C ATOM 272 CG ASN A 18 4.375 -12.265 11.381 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.485 -13.458 11.667 1.00 0.00 O ATOM 274 ND2 ASN A 18 4.868 -11.298 12.147 1.00 0.00 N ATOM 0 H ASN A 18 1.767 -13.107 9.053 1.00 0.00 H new ATOM 0 HA ASN A 18 1.990 -11.486 11.448 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.739 -12.615 9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.142 -10.945 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.360 -11.531 13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.754 -10.322 11.873 1.00 0.00 H new ATOM 281 N GLY A 19 1.048 -10.154 8.687 1.00 0.00 N ATOM 282 CA GLY A 19 0.652 -8.907 8.055 1.00 0.00 C ATOM 283 C GLY A 19 1.490 -8.582 6.829 1.00 0.00 C ATOM 284 O GLY A 19 2.087 -9.475 6.226 1.00 0.00 O ATOM 0 H GLY A 19 0.697 -10.995 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.398 -8.967 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.739 -8.094 8.776 1.00 0.00 H new ATOM 288 N PHE A 20 1.532 -7.300 6.465 1.00 0.00 N ATOM 289 CA PHE A 20 2.304 -6.850 5.305 1.00 0.00 C ATOM 290 C PHE A 20 3.694 -6.380 5.729 1.00 0.00 C ATOM 291 O PHE A 20 4.701 -6.782 5.139 1.00 0.00 O ATOM 292 CB PHE A 20 1.575 -5.715 4.575 1.00 0.00 C ATOM 293 CG PHE A 20 0.167 -6.056 4.166 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.874 -5.975 5.079 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.116 -6.453 2.869 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.167 -6.282 4.705 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.408 -6.762 2.489 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.435 -6.677 3.410 1.00 0.00 C ATOM 0 H PHE A 20 1.040 -6.554 6.957 1.00 0.00 H new ATOM 0 HA PHE A 20 2.410 -7.696 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.553 -4.837 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.145 -5.443 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.671 -5.668 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.683 -6.522 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.969 -6.213 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.615 -7.069 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.446 -6.919 3.117 1.00 0.00 H new ATOM 308 N GLY A 21 3.741 -5.529 6.757 1.00 0.00 N ATOM 309 CA GLY A 21 5.006 -5.017 7.254 1.00 0.00 C ATOM 310 C GLY A 21 5.679 -4.061 6.286 1.00 0.00 C ATOM 311 O GLY A 21 6.726 -4.378 5.729 1.00 0.00 O ATOM 0 H GLY A 21 2.919 -5.186 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.838 -4.507 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.676 -5.853 7.456 1.00 0.00 H new ATOM 315 N LEU A 22 5.081 -2.887 6.081 1.00 0.00 N ATOM 316 CA LEU A 22 5.648 -1.893 5.172 1.00 0.00 C ATOM 317 C LEU A 22 5.296 -0.467 5.601 1.00 0.00 C ATOM 318 O LEU A 22 4.240 -0.227 6.189 1.00 0.00 O ATOM 319 CB LEU A 22 5.165 -2.145 3.738 1.00 0.00 C ATOM 320 CG LEU A 22 3.679 -1.865 3.489 1.00 0.00 C ATOM 321 CD1 LEU A 22 3.478 -0.435 3.004 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.110 -2.859 2.484 1.00 0.00 C ATOM 0 H LEU A 22 4.210 -2.603 6.529 1.00 0.00 H new ATOM 0 HA LEU A 22 6.733 -1.995 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.753 -1.526 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.370 -3.184 3.480 1.00 0.00 H new ATOM 0 HG LEU A 22 3.143 -1.985 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.417 -0.255 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.847 0.260 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.026 -0.286 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.054 -2.645 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.649 -2.772 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.219 -3.872 2.872 1.00 0.00 H new ATOM 334 N THR A 23 6.187 0.475 5.286 1.00 0.00 N ATOM 335 CA THR A 23 5.976 1.882 5.618 1.00 0.00 C ATOM 336 C THR A 23 5.629 2.677 4.361 1.00 0.00 C ATOM 337 O THR A 23 6.265 2.513 3.317 1.00 0.00 O ATOM 338 CB THR A 23 7.224 2.471 6.285 1.00 0.00 C ATOM 339 OG1 THR A 23 7.738 1.586 7.268 1.00 0.00 O ATOM 340 CG2 THR A 23 6.972 3.806 6.956 1.00 0.00 C ATOM 0 H THR A 23 7.064 0.286 4.800 1.00 0.00 H new ATOM 0 HA THR A 23 5.143 1.948 6.318 1.00 0.00 H new ATOM 0 HB THR A 23 7.939 2.618 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.535 1.981 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.896 4.166 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.626 4.526 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.213 3.687 7.729 1.00 0.00 H new ATOM 348 N VAL A 24 4.609 3.527 4.461 1.00 0.00 N ATOM 349 CA VAL A 24 4.173 4.329 3.324 1.00 0.00 C ATOM 350 C VAL A 24 3.671 5.709 3.760 1.00 0.00 C ATOM 351 O VAL A 24 3.048 5.852 4.814 1.00 0.00 O ATOM 352 CB VAL A 24 3.067 3.596 2.531 1.00 0.00 C ATOM 353 CG1 VAL A 24 1.823 3.391 3.385 1.00 0.00 C ATOM 354 CG2 VAL A 24 2.727 4.347 1.254 1.00 0.00 C ATOM 0 H VAL A 24 4.072 3.677 5.315 1.00 0.00 H new ATOM 0 HA VAL A 24 5.041 4.473 2.681 1.00 0.00 H new ATOM 0 HB VAL A 24 3.450 2.613 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.062 2.873 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.077 2.794 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.438 4.359 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.946 3.811 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.374 5.348 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.616 4.421 0.628 1.00 0.00 H new ATOM 364 N SER A 25 3.952 6.716 2.934 1.00 0.00 N ATOM 365 CA SER A 25 3.539 8.089 3.214 1.00 0.00 C ATOM 366 C SER A 25 3.048 8.778 1.940 1.00 0.00 C ATOM 367 O SER A 25 3.358 8.341 0.833 1.00 0.00 O ATOM 368 CB SER A 25 4.705 8.878 3.814 1.00 0.00 C ATOM 369 OG SER A 25 5.857 8.784 2.993 1.00 0.00 O ATOM 0 H SER A 25 4.467 6.605 2.061 1.00 0.00 H new ATOM 0 HA SER A 25 2.719 8.059 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.420 9.924 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.932 8.498 4.810 1.00 0.00 H new ATOM 0 HG SER A 25 6.588 9.297 3.396 1.00 0.00 H new ATOM 375 N GLY A 26 2.281 9.856 2.106 1.00 0.00 N ATOM 376 CA GLY A 26 1.759 10.587 0.958 1.00 0.00 C ATOM 377 C GLY A 26 0.285 10.312 0.720 1.00 0.00 C ATOM 378 O GLY A 26 -0.335 9.555 1.471 1.00 0.00 O ATOM 0 H GLY A 26 2.012 10.236 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.906 11.656 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.325 10.313 0.068 1.00 0.00 H new ATOM 382 N ASP A 27 -0.285 10.922 -0.323 1.00 0.00 N ATOM 383 CA ASP A 27 -1.699 10.719 -0.631 1.00 0.00 C ATOM 384 C ASP A 27 -1.920 10.409 -2.113 1.00 0.00 C ATOM 385 O ASP A 27 -1.858 9.246 -2.507 1.00 0.00 O ATOM 386 CB ASP A 27 -2.527 11.936 -0.199 1.00 0.00 C ATOM 387 CG ASP A 27 -3.998 11.810 -0.563 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.525 10.677 -0.556 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.623 12.848 -0.859 1.00 0.00 O ATOM 0 H ASP A 27 0.205 11.551 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.036 9.851 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.435 12.068 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.118 12.832 -0.666 1.00 0.00 H new ATOM 394 N ASN A 28 -2.175 11.435 -2.940 1.00 0.00 N ATOM 395 CA ASN A 28 -2.389 11.205 -4.372 1.00 0.00 C ATOM 396 C ASN A 28 -1.253 10.334 -4.908 1.00 0.00 C ATOM 397 O ASN A 28 -1.490 9.252 -5.447 1.00 0.00 O ATOM 398 CB ASN A 28 -2.483 12.523 -5.161 1.00 0.00 C ATOM 399 CG ASN A 28 -3.243 13.612 -4.423 1.00 0.00 C ATOM 400 OD1 ASN A 28 -2.799 14.103 -3.385 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.396 14.002 -4.961 1.00 0.00 N ATOM 0 H ASN A 28 -2.237 12.410 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.343 10.694 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.477 12.878 -5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.971 12.332 -6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.947 14.733 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.729 13.569 -5.823 1.00 0.00 H new ATOM 408 N PRO A 29 0.007 10.779 -4.721 1.00 0.00 N ATOM 409 CA PRO A 29 1.186 10.044 -5.132 1.00 0.00 C ATOM 410 C PRO A 29 1.776 9.276 -3.952 1.00 0.00 C ATOM 411 O PRO A 29 2.867 9.598 -3.472 1.00 0.00 O ATOM 412 CB PRO A 29 2.113 11.178 -5.566 1.00 0.00 C ATOM 413 CG PRO A 29 1.756 12.335 -4.674 1.00 0.00 C ATOM 414 CD PRO A 29 0.405 12.031 -4.057 1.00 0.00 C ATOM 0 HA PRO A 29 1.006 9.297 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.160 10.898 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.965 11.429 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.511 12.469 -3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.717 13.263 -5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.474 11.909 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.312 12.831 -4.243 1.00 0.00 H new ATOM 422 N VAL A 30 1.038 8.274 -3.468 1.00 0.00 N ATOM 423 CA VAL A 30 1.484 7.482 -2.324 1.00 0.00 C ATOM 424 C VAL A 30 2.912 6.972 -2.547 1.00 0.00 C ATOM 425 O VAL A 30 3.261 6.548 -3.650 1.00 0.00 O ATOM 426 CB VAL A 30 0.555 6.277 -2.051 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.956 5.582 -0.760 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.902 6.704 -1.990 1.00 0.00 C ATOM 0 H VAL A 30 0.134 7.995 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 30 1.455 8.140 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 30 0.664 5.576 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.293 4.736 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.983 5.227 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.880 6.284 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.529 5.833 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.035 7.432 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.189 7.154 -2.940 1.00 0.00 H new ATOM 438 N PHE A 31 3.738 7.021 -1.504 1.00 0.00 N ATOM 439 CA PHE A 31 5.123 6.567 -1.608 1.00 0.00 C ATOM 440 C PHE A 31 5.473 5.573 -0.504 1.00 0.00 C ATOM 441 O PHE A 31 5.337 5.875 0.683 1.00 0.00 O ATOM 442 CB PHE A 31 6.080 7.761 -1.553 1.00 0.00 C ATOM 443 CG PHE A 31 7.483 7.426 -1.981 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.417 6.978 -1.059 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.866 7.559 -3.306 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.705 6.667 -1.452 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.153 7.249 -3.705 1.00 0.00 C ATOM 448 CZ PHE A 31 10.073 6.804 -2.777 1.00 0.00 C ATOM 0 H PHE A 31 3.474 7.369 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 31 5.231 6.060 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.694 8.556 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.102 8.152 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.135 6.871 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.151 7.909 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.423 6.317 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.438 7.355 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.079 6.563 -3.086 1.00 0.00 H new ATOM 458 N VAL A 32 5.943 4.393 -0.907 1.00 0.00 N ATOM 459 CA VAL A 32 6.338 3.353 0.039 1.00 0.00 C ATOM 460 C VAL A 32 7.785 3.566 0.475 1.00 0.00 C ATOM 461 O VAL A 32 8.710 3.403 -0.324 1.00 0.00 O ATOM 462 CB VAL A 32 6.198 1.941 -0.574 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.404 0.867 0.487 1.00 0.00 C ATOM 464 CG2 VAL A 32 4.844 1.777 -1.251 1.00 0.00 C ATOM 0 H VAL A 32 6.059 4.134 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 32 5.672 3.423 0.899 1.00 0.00 H new ATOM 0 HB VAL A 32 6.973 1.823 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.301 -0.118 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.401 0.966 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.658 0.984 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.768 0.776 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.051 1.922 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.743 2.516 -2.046 1.00 0.00 H new ATOM 474 N GLN A 33 7.974 3.942 1.740 1.00 0.00 N ATOM 475 CA GLN A 33 9.310 4.190 2.281 1.00 0.00 C ATOM 476 C GLN A 33 10.137 2.904 2.334 1.00 0.00 C ATOM 477 O GLN A 33 11.137 2.772 1.623 1.00 0.00 O ATOM 478 CB GLN A 33 9.213 4.816 3.678 1.00 0.00 C ATOM 479 CG GLN A 33 10.566 5.134 4.305 1.00 0.00 C ATOM 480 CD GLN A 33 10.472 5.463 5.785 1.00 0.00 C ATOM 481 OE1 GLN A 33 9.395 5.417 6.380 1.00 0.00 O ATOM 482 NE2 GLN A 33 11.607 5.798 6.390 1.00 0.00 N ATOM 0 H GLN A 33 7.218 4.082 2.410 1.00 0.00 H new ATOM 0 HA GLN A 33 9.816 4.888 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.628 5.733 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.670 4.136 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.232 4.282 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.015 5.977 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.479 5.824 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.606 6.029 7.384 1.00 0.00 H new ATOM 491 N SER A 34 9.723 1.962 3.182 1.00 0.00 N ATOM 492 CA SER A 34 10.437 0.695 3.326 1.00 0.00 C ATOM 493 C SER A 34 9.467 -0.482 3.433 1.00 0.00 C ATOM 494 O SER A 34 8.280 -0.300 3.721 1.00 0.00 O ATOM 495 CB SER A 34 11.348 0.736 4.554 1.00 0.00 C ATOM 496 OG SER A 34 12.704 0.539 4.190 1.00 0.00 O ATOM 0 H SER A 34 8.900 2.053 3.777 1.00 0.00 H new ATOM 0 HA SER A 34 11.045 0.552 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.240 1.696 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.043 -0.034 5.263 1.00 0.00 H new ATOM 0 HG SER A 34 13.266 0.571 4.992 1.00 0.00 H new ATOM 502 N VAL A 35 9.987 -1.689 3.202 1.00 0.00 N ATOM 503 CA VAL A 35 9.181 -2.904 3.271 1.00 0.00 C ATOM 504 C VAL A 35 9.871 -3.978 4.113 1.00 0.00 C ATOM 505 O VAL A 35 11.097 -3.999 4.222 1.00 0.00 O ATOM 506 CB VAL A 35 8.891 -3.470 1.862 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.841 -2.626 1.157 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.164 -3.547 1.027 1.00 0.00 C ATOM 0 H VAL A 35 10.966 -1.849 2.965 1.00 0.00 H new ATOM 0 HA VAL A 35 8.237 -2.631 3.743 1.00 0.00 H new ATOM 0 HB VAL A 35 8.505 -4.483 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.648 -3.038 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.919 -2.632 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.202 -1.602 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.929 -3.949 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.590 -2.549 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.885 -4.198 1.522 1.00 0.00 H new ATOM 518 N LYS A 36 9.072 -4.863 4.711 1.00 0.00 N ATOM 519 CA LYS A 36 9.600 -5.941 5.552 1.00 0.00 C ATOM 520 C LYS A 36 10.622 -6.780 4.791 1.00 0.00 C ATOM 521 O LYS A 36 10.361 -7.222 3.672 1.00 0.00 O ATOM 522 CB LYS A 36 8.467 -6.842 6.053 1.00 0.00 C ATOM 523 CG LYS A 36 8.296 -6.818 7.563 1.00 0.00 C ATOM 524 CD LYS A 36 7.836 -8.167 8.099 1.00 0.00 C ATOM 525 CE LYS A 36 9.011 -9.103 8.344 1.00 0.00 C ATOM 526 NZ LYS A 36 9.794 -8.716 9.552 1.00 0.00 N ATOM 0 H LYS A 36 8.055 -4.855 4.629 1.00 0.00 H new ATOM 0 HA LYS A 36 10.093 -5.479 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.533 -6.532 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.659 -7.866 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.241 -6.543 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.570 -6.052 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.286 -8.021 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.147 -8.625 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.643 -10.122 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.665 -9.099 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.785 -9.008 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.750 -7.685 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.394 -9.185 10.390 1.00 0.00 H new ATOM 540 N GLU A 37 11.783 -6.997 5.408 1.00 0.00 N ATOM 541 CA GLU A 37 12.846 -7.786 4.790 1.00 0.00 C ATOM 542 C GLU A 37 12.490 -9.277 4.759 1.00 0.00 C ATOM 543 O GLU A 37 12.998 -10.020 3.916 1.00 0.00 O ATOM 544 CB GLU A 37 14.179 -7.572 5.522 1.00 0.00 C ATOM 545 CG GLU A 37 14.161 -7.992 6.988 1.00 0.00 C ATOM 546 CD GLU A 37 15.057 -9.184 7.278 1.00 0.00 C ATOM 547 OE1 GLU A 37 15.029 -10.159 6.497 1.00 0.00 O ATOM 548 OE2 GLU A 37 15.789 -9.141 8.289 1.00 0.00 O ATOM 0 H GLU A 37 12.011 -6.637 6.335 1.00 0.00 H new ATOM 0 HA GLU A 37 12.953 -7.443 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.959 -8.131 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.449 -6.518 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.476 -7.150 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.139 -8.235 7.278 1.00 0.00 H new ATOM 555 N ASP A 38 11.621 -9.710 5.678 1.00 0.00 N ATOM 556 CA ASP A 38 11.209 -11.112 5.745 1.00 0.00 C ATOM 557 C ASP A 38 9.693 -11.243 5.939 1.00 0.00 C ATOM 558 O ASP A 38 9.231 -11.932 6.852 1.00 0.00 O ATOM 559 CB ASP A 38 11.956 -11.828 6.883 1.00 0.00 C ATOM 560 CG ASP A 38 11.667 -11.233 8.250 1.00 0.00 C ATOM 561 OD1 ASP A 38 12.095 -10.089 8.505 1.00 0.00 O ATOM 562 OD2 ASP A 38 11.013 -11.913 9.069 1.00 0.00 O ATOM 0 H ASP A 38 11.192 -9.111 6.383 1.00 0.00 H new ATOM 0 HA ASP A 38 11.465 -11.583 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.678 -12.882 6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.028 -11.781 6.692 1.00 0.00 H new ATOM 567 N GLY A 39 8.918 -10.584 5.076 1.00 0.00 N ATOM 568 CA GLY A 39 7.466 -10.649 5.179 1.00 0.00 C ATOM 569 C GLY A 39 6.771 -10.622 3.829 1.00 0.00 C ATOM 570 O GLY A 39 7.417 -10.747 2.784 1.00 0.00 O ATOM 0 H GLY A 39 9.268 -10.008 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.186 -11.560 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.112 -9.811 5.780 1.00 0.00 H new ATOM 574 N ALA A 40 5.445 -10.456 3.856 1.00 0.00 N ATOM 575 CA ALA A 40 4.641 -10.407 2.634 1.00 0.00 C ATOM 576 C ALA A 40 5.178 -9.368 1.650 1.00 0.00 C ATOM 577 O ALA A 40 5.192 -9.601 0.439 1.00 0.00 O ATOM 578 CB ALA A 40 3.186 -10.110 2.967 1.00 0.00 C ATOM 0 H ALA A 40 4.905 -10.353 4.715 1.00 0.00 H new ATOM 0 HA ALA A 40 4.705 -11.385 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.602 -10.077 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.795 -10.892 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.118 -9.148 3.475 1.00 0.00 H new ATOM 584 N ALA A 41 5.618 -8.224 2.177 1.00 0.00 N ATOM 585 CA ALA A 41 6.160 -7.153 1.345 1.00 0.00 C ATOM 586 C ALA A 41 7.340 -7.655 0.512 1.00 0.00 C ATOM 587 O ALA A 41 7.378 -7.461 -0.703 1.00 0.00 O ATOM 588 CB ALA A 41 6.570 -5.967 2.206 1.00 0.00 C ATOM 0 H ALA A 41 5.609 -8.017 3.176 1.00 0.00 H new ATOM 0 HA ALA A 41 5.380 -6.825 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.972 -5.178 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.701 -5.591 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.332 -6.281 2.919 1.00 0.00 H new ATOM 594 N MET A 42 8.294 -8.315 1.171 1.00 0.00 N ATOM 595 CA MET A 42 9.464 -8.859 0.483 1.00 0.00 C ATOM 596 C MET A 42 9.075 -10.066 -0.370 1.00 0.00 C ATOM 597 O MET A 42 9.544 -10.211 -1.498 1.00 0.00 O ATOM 598 CB MET A 42 10.549 -9.256 1.487 1.00 0.00 C ATOM 599 CG MET A 42 11.851 -8.491 1.309 1.00 0.00 C ATOM 600 SD MET A 42 12.891 -9.186 0.011 1.00 0.00 S ATOM 601 CE MET A 42 14.252 -9.839 0.976 1.00 0.00 C ATOM 0 H MET A 42 8.279 -8.485 2.177 1.00 0.00 H new ATOM 0 HA MET A 42 9.861 -8.081 -0.170 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.175 -9.091 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.748 -10.323 1.391 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.628 -7.451 1.072 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.401 -8.493 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.029 -10.207 0.306 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.661 -9.051 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.895 -10.657 1.601 1.00 0.00 H new ATOM 611 N ARG A 43 8.210 -10.928 0.174 1.00 0.00 N ATOM 612 CA ARG A 43 7.756 -12.118 -0.549 1.00 0.00 C ATOM 613 C ARG A 43 7.050 -11.728 -1.851 1.00 0.00 C ATOM 614 O ARG A 43 7.169 -12.423 -2.860 1.00 0.00 O ATOM 615 CB ARG A 43 6.814 -12.957 0.324 1.00 0.00 C ATOM 616 CG ARG A 43 7.114 -14.451 0.296 1.00 0.00 C ATOM 617 CD ARG A 43 6.842 -15.057 -1.074 1.00 0.00 C ATOM 618 NE ARG A 43 5.899 -16.175 -1.009 1.00 0.00 N ATOM 619 CZ ARG A 43 6.229 -17.416 -0.638 1.00 0.00 C ATOM 620 NH1 ARG A 43 7.476 -17.702 -0.271 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.306 -18.372 -0.626 1.00 0.00 N ATOM 0 H ARG A 43 7.813 -10.824 1.108 1.00 0.00 H new ATOM 0 HA ARG A 43 8.634 -12.715 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.876 -12.603 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.788 -12.796 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.157 -14.617 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.506 -14.958 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.445 -14.288 -1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.780 -15.401 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 43 4.928 -15.995 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.188 -16.972 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.720 -18.652 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.347 -18.158 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.557 -19.319 -0.343 1.00 0.00 H new ATOM 635 N ALA A 44 6.315 -10.614 -1.821 1.00 0.00 N ATOM 636 CA ALA A 44 5.595 -10.136 -3.003 1.00 0.00 C ATOM 637 C ALA A 44 6.537 -9.503 -4.034 1.00 0.00 C ATOM 638 O ALA A 44 6.143 -9.271 -5.179 1.00 0.00 O ATOM 639 CB ALA A 44 4.514 -9.145 -2.595 1.00 0.00 C ATOM 0 H ALA A 44 6.203 -10.028 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 44 5.130 -11.001 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.986 -8.797 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.809 -9.632 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.972 -8.295 -2.089 1.00 0.00 H new ATOM 645 N GLY A 45 7.778 -9.222 -3.627 1.00 0.00 N ATOM 646 CA GLY A 45 8.744 -8.620 -4.533 1.00 0.00 C ATOM 647 C GLY A 45 8.702 -7.102 -4.510 1.00 0.00 C ATOM 648 O GLY A 45 8.916 -6.457 -5.537 1.00 0.00 O ATOM 0 H GLY A 45 8.129 -9.401 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.746 -8.956 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.551 -8.969 -5.547 1.00 0.00 H new ATOM 652 N VAL A 46 8.425 -6.532 -3.337 1.00 0.00 N ATOM 653 CA VAL A 46 8.358 -5.080 -3.187 1.00 0.00 C ATOM 654 C VAL A 46 9.705 -4.519 -2.741 1.00 0.00 C ATOM 655 O VAL A 46 10.377 -5.100 -1.887 1.00 0.00 O ATOM 656 CB VAL A 46 7.269 -4.663 -2.173 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.096 -3.150 -2.163 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.950 -5.350 -2.487 1.00 0.00 C ATOM 0 H VAL A 46 8.244 -7.053 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 46 8.100 -4.669 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 46 7.590 -4.978 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.325 -2.877 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.038 -2.678 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.801 -2.811 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.198 -5.042 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.624 -5.070 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.082 -6.431 -2.437 1.00 0.00 H new ATOM 668 N GLN A 47 10.093 -3.387 -3.326 1.00 0.00 N ATOM 669 CA GLN A 47 11.360 -2.744 -2.992 1.00 0.00 C ATOM 670 C GLN A 47 11.159 -1.636 -1.960 1.00 0.00 C ATOM 671 O GLN A 47 10.027 -1.309 -1.596 1.00 0.00 O ATOM 672 CB GLN A 47 12.017 -2.172 -4.253 1.00 0.00 C ATOM 673 CG GLN A 47 13.023 -3.114 -4.902 1.00 0.00 C ATOM 674 CD GLN A 47 14.377 -2.464 -5.134 1.00 0.00 C ATOM 675 OE1 GLN A 47 14.485 -1.242 -5.235 1.00 0.00 O ATOM 676 NE2 GLN A 47 15.422 -3.281 -5.224 1.00 0.00 N ATOM 0 H GLN A 47 9.547 -2.897 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 47 12.016 -3.500 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.240 -1.929 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.519 -1.238 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.151 -3.993 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.625 -3.462 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.291 -4.289 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.355 -2.900 -5.382 1.00 0.00 H new ATOM 685 N THR A 48 12.267 -1.061 -1.495 1.00 0.00 N ATOM 686 CA THR A 48 12.216 0.012 -0.506 1.00 0.00 C ATOM 687 C THR A 48 12.295 1.382 -1.182 1.00 0.00 C ATOM 688 O THR A 48 13.381 1.940 -1.356 1.00 0.00 O ATOM 689 CB THR A 48 13.348 -0.145 0.517 1.00 0.00 C ATOM 690 OG1 THR A 48 14.603 -0.309 -0.129 1.00 0.00 O ATOM 691 CG2 THR A 48 13.151 -1.321 1.453 1.00 0.00 C ATOM 0 H THR A 48 13.209 -1.320 -1.787 1.00 0.00 H new ATOM 0 HA THR A 48 11.262 -0.056 0.017 1.00 0.00 H new ATOM 0 HB THR A 48 13.330 0.773 1.104 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.739 0.420 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.987 -1.375 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.222 -1.192 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.102 -2.243 0.874 1.00 0.00 H new ATOM 699 N GLY A 49 11.134 1.918 -1.559 1.00 0.00 N ATOM 700 CA GLY A 49 11.085 3.218 -2.209 1.00 0.00 C ATOM 701 C GLY A 49 10.364 3.179 -3.545 1.00 0.00 C ATOM 702 O GLY A 49 10.995 3.290 -4.597 1.00 0.00 O ATOM 0 H GLY A 49 10.226 1.474 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.585 3.930 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.101 3.583 -2.360 1.00 0.00 H new ATOM 706 N ASP A 50 9.041 3.025 -3.503 1.00 0.00 N ATOM 707 CA ASP A 50 8.234 2.973 -4.723 1.00 0.00 C ATOM 708 C ASP A 50 7.092 3.988 -4.669 1.00 0.00 C ATOM 709 O ASP A 50 6.558 4.274 -3.595 1.00 0.00 O ATOM 710 CB ASP A 50 7.671 1.562 -4.930 1.00 0.00 C ATOM 711 CG ASP A 50 8.743 0.550 -5.301 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.490 0.801 -6.271 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.833 -0.495 -4.620 1.00 0.00 O ATOM 0 H ASP A 50 8.506 2.934 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 50 8.879 3.226 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.171 1.237 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.915 1.589 -5.715 1.00 0.00 H new ATOM 718 N ARG A 51 6.718 4.529 -5.831 1.00 0.00 N ATOM 719 CA ARG A 51 5.635 5.512 -5.905 1.00 0.00 C ATOM 720 C ARG A 51 4.299 4.831 -6.206 1.00 0.00 C ATOM 721 O ARG A 51 3.883 4.754 -7.364 1.00 0.00 O ATOM 722 CB ARG A 51 5.935 6.562 -6.984 1.00 0.00 C ATOM 723 CG ARG A 51 7.128 7.454 -6.671 1.00 0.00 C ATOM 724 CD ARG A 51 6.694 8.886 -6.386 1.00 0.00 C ATOM 725 NE ARG A 51 7.809 9.724 -5.944 1.00 0.00 N ATOM 726 CZ ARG A 51 7.793 11.062 -5.950 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.723 11.726 -6.382 1.00 0.00 N ATOM 728 NH2 ARG A 51 8.853 11.738 -5.522 1.00 0.00 N ATOM 0 H ARG A 51 7.147 4.304 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 51 5.565 6.006 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.115 6.053 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.053 7.188 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.665 7.057 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.822 7.443 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.253 9.316 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.918 8.883 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 51 8.653 9.258 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.905 11.215 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.722 12.746 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.677 11.237 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.843 12.758 -5.526 1.00 0.00 H new ATOM 742 N ILE A 52 3.624 4.340 -5.164 1.00 0.00 N ATOM 743 CA ILE A 52 2.334 3.674 -5.344 1.00 0.00 C ATOM 744 C ILE A 52 1.241 4.687 -5.693 1.00 0.00 C ATOM 745 O ILE A 52 1.038 5.680 -4.987 1.00 0.00 O ATOM 746 CB ILE A 52 1.927 2.834 -4.102 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.518 2.240 -4.281 1.00 0.00 C ATOM 748 CG2 ILE A 52 2.022 3.652 -2.824 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.616 3.177 -3.909 1.00 0.00 C ATOM 0 H ILE A 52 3.946 4.390 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 52 2.447 2.982 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 52 2.632 2.007 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.395 1.938 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.439 1.337 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.730 3.035 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.047 3.996 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.356 4.513 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.570 2.674 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.524 3.461 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.569 4.070 -4.532 1.00 0.00 H new ATOM 761 N ILE A 53 0.552 4.430 -6.802 1.00 0.00 N ATOM 762 CA ILE A 53 -0.510 5.315 -7.269 1.00 0.00 C ATOM 763 C ILE A 53 -1.894 4.747 -6.959 1.00 0.00 C ATOM 764 O ILE A 53 -2.806 5.489 -6.586 1.00 0.00 O ATOM 765 CB ILE A 53 -0.401 5.565 -8.790 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.987 6.105 -9.151 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.485 6.528 -9.255 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.437 5.725 -10.546 1.00 0.00 C ATOM 0 H ILE A 53 0.711 3.615 -7.394 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.386 6.258 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.544 4.614 -9.303 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.980 7.191 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.713 5.731 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.391 6.691 -10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.466 6.105 -9.037 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.376 7.479 -8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.427 6.140 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.476 4.639 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.732 6.122 -11.276 1.00 0.00 H new ATOM 780 N LYS A 54 -2.055 3.431 -7.128 1.00 0.00 N ATOM 781 CA LYS A 54 -3.344 2.786 -6.875 1.00 0.00 C ATOM 782 C LYS A 54 -3.194 1.536 -6.008 1.00 0.00 C ATOM 783 O LYS A 54 -2.136 0.907 -5.981 1.00 0.00 O ATOM 784 CB LYS A 54 -4.026 2.415 -8.198 1.00 0.00 C ATOM 785 CG LYS A 54 -3.792 3.415 -9.323 1.00 0.00 C ATOM 786 CD LYS A 54 -4.330 2.897 -10.650 1.00 0.00 C ATOM 787 CE LYS A 54 -4.751 4.033 -11.573 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.718 5.104 -11.660 1.00 0.00 N ATOM 0 H LYS A 54 -1.316 2.798 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.962 3.502 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.667 1.436 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.098 2.322 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.275 4.361 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.725 3.617 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.566 2.294 -11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.183 2.243 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.944 3.636 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.687 4.462 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.950 5.748 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.696 5.638 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.786 4.675 -11.830 1.00 0.00 H new ATOM 802 N VAL A 55 -4.273 1.182 -5.311 1.00 0.00 N ATOM 803 CA VAL A 55 -4.296 0.006 -4.450 1.00 0.00 C ATOM 804 C VAL A 55 -5.521 -0.857 -4.756 1.00 0.00 C ATOM 805 O VAL A 55 -6.660 -0.415 -4.591 1.00 0.00 O ATOM 806 CB VAL A 55 -4.297 0.392 -2.952 1.00 0.00 C ATOM 807 CG1 VAL A 55 -2.978 1.047 -2.566 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.470 1.307 -2.624 1.00 0.00 C ATOM 0 H VAL A 55 -5.151 1.701 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.389 -0.562 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.410 -0.521 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.999 1.311 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.159 0.352 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.831 1.948 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.447 1.563 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.399 2.218 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.405 0.796 -2.853 1.00 0.00 H new ATOM 818 N ASN A 56 -5.276 -2.082 -5.223 1.00 0.00 N ATOM 819 CA ASN A 56 -6.348 -3.013 -5.580 1.00 0.00 C ATOM 820 C ASN A 56 -7.242 -2.422 -6.676 1.00 0.00 C ATOM 821 O ASN A 56 -8.462 -2.602 -6.667 1.00 0.00 O ATOM 822 CB ASN A 56 -7.184 -3.378 -4.343 1.00 0.00 C ATOM 823 CG ASN A 56 -6.909 -4.789 -3.852 1.00 0.00 C ATOM 824 OD1 ASN A 56 -5.906 -5.402 -4.219 1.00 0.00 O ATOM 825 ND2 ASN A 56 -7.802 -5.316 -3.019 1.00 0.00 N ATOM 0 H ASN A 56 -4.337 -2.455 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.890 -3.923 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.971 -2.670 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.243 -3.280 -4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.669 -6.261 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.620 -4.775 -2.739 1.00 0.00 H new ATOM 832 N GLY A 57 -6.619 -1.712 -7.619 1.00 0.00 N ATOM 833 CA GLY A 57 -7.363 -1.099 -8.709 1.00 0.00 C ATOM 834 C GLY A 57 -8.194 0.092 -8.255 1.00 0.00 C ATOM 835 O GLY A 57 -9.229 0.393 -8.852 1.00 0.00 O ATOM 0 H GLY A 57 -5.612 -1.551 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.666 -0.777 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.019 -1.844 -9.160 1.00 0.00 H new ATOM 839 N THR A 58 -7.744 0.768 -7.196 1.00 0.00 N ATOM 840 CA THR A 58 -8.456 1.928 -6.659 1.00 0.00 C ATOM 841 C THR A 58 -7.493 3.089 -6.420 1.00 0.00 C ATOM 842 O THR A 58 -6.549 2.970 -5.638 1.00 0.00 O ATOM 843 CB THR A 58 -9.176 1.562 -5.351 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.362 0.159 -5.244 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.537 2.211 -5.211 1.00 0.00 C ATOM 0 H THR A 58 -6.889 0.531 -6.693 1.00 0.00 H new ATOM 0 HA THR A 58 -9.200 2.238 -7.393 1.00 0.00 H new ATOM 0 HB THR A 58 -8.526 1.935 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.514 -0.266 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.988 1.910 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.427 3.295 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.177 1.896 -6.035 1.00 0.00 H new ATOM 853 N LEU A 59 -7.731 4.211 -7.100 1.00 0.00 N ATOM 854 CA LEU A 59 -6.878 5.393 -6.965 1.00 0.00 C ATOM 855 C LEU A 59 -6.896 5.932 -5.537 1.00 0.00 C ATOM 856 O LEU A 59 -7.925 5.889 -4.861 1.00 0.00 O ATOM 857 CB LEU A 59 -7.319 6.490 -7.938 1.00 0.00 C ATOM 858 CG LEU A 59 -6.606 6.475 -9.290 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.550 6.921 -10.397 1.00 0.00 C ATOM 860 CD2 LEU A 59 -5.369 7.360 -9.247 1.00 0.00 C ATOM 0 H LEU A 59 -8.508 4.327 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.859 5.090 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.391 6.395 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.155 7.460 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.290 5.454 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.025 6.904 -11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.404 6.246 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.898 7.933 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.872 7.339 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.662 8.383 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.685 6.993 -8.481 1.00 0.00 H new ATOM 872 N VAL A 60 -5.752 6.448 -5.088 1.00 0.00 N ATOM 873 CA VAL A 60 -5.635 7.003 -3.742 1.00 0.00 C ATOM 874 C VAL A 60 -5.795 8.528 -3.759 1.00 0.00 C ATOM 875 O VAL A 60 -5.153 9.242 -2.987 1.00 0.00 O ATOM 876 CB VAL A 60 -4.286 6.626 -3.088 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.311 6.923 -1.596 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.956 5.159 -3.333 1.00 0.00 C ATOM 0 H VAL A 60 -4.894 6.493 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.439 6.570 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.506 7.233 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.352 6.651 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.493 7.986 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.105 6.345 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.002 4.917 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.740 4.533 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.889 4.975 -4.405 1.00 0.00 H new ATOM 888 N THR A 61 -6.666 9.019 -4.644 1.00 0.00 N ATOM 889 CA THR A 61 -6.924 10.452 -4.759 1.00 0.00 C ATOM 890 C THR A 61 -8.211 10.820 -4.021 1.00 0.00 C ATOM 891 O THR A 61 -8.223 11.733 -3.195 1.00 0.00 O ATOM 892 CB THR A 61 -7.023 10.864 -6.233 1.00 0.00 C ATOM 893 OG1 THR A 61 -5.893 10.410 -6.963 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.126 12.363 -6.431 1.00 0.00 C ATOM 0 H THR A 61 -7.204 8.442 -5.291 1.00 0.00 H new ATOM 0 HA THR A 61 -6.092 10.990 -4.304 1.00 0.00 H new ATOM 0 HB THR A 61 -7.939 10.401 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.978 10.682 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.193 12.586 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.017 12.736 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.243 12.847 -6.014 1.00 0.00 H new ATOM 902 N HIS A 62 -9.288 10.095 -4.320 1.00 0.00 N ATOM 903 CA HIS A 62 -10.583 10.334 -3.682 1.00 0.00 C ATOM 904 C HIS A 62 -10.742 9.478 -2.420 1.00 0.00 C ATOM 905 O HIS A 62 -11.412 9.885 -1.470 1.00 0.00 O ATOM 906 CB HIS A 62 -11.723 10.038 -4.663 1.00 0.00 C ATOM 907 CG HIS A 62 -12.943 10.883 -4.452 1.00 0.00 C ATOM 908 ND1 HIS A 62 -12.888 12.214 -4.089 1.00 0.00 N ATOM 909 CD2 HIS A 62 -14.260 10.582 -4.564 1.00 0.00 C ATOM 910 CE1 HIS A 62 -14.116 12.692 -3.986 1.00 0.00 C ATOM 911 NE2 HIS A 62 -14.966 11.722 -4.270 1.00 0.00 N ATOM 0 H HIS A 62 -9.290 9.336 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.626 11.384 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.361 10.188 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -12.001 8.988 -4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -14.677 9.623 -4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.379 13.704 -3.716 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.983 11.806 -4.271 1.00 0.00 H new ATOM 920 N SER A 63 -10.126 8.291 -2.421 1.00 0.00 N ATOM 921 CA SER A 63 -10.201 7.376 -1.280 1.00 0.00 C ATOM 922 C SER A 63 -9.541 7.980 -0.039 1.00 0.00 C ATOM 923 O SER A 63 -8.633 8.806 -0.147 1.00 0.00 O ATOM 924 CB SER A 63 -9.536 6.040 -1.625 1.00 0.00 C ATOM 925 OG SER A 63 -10.319 5.303 -2.548 1.00 0.00 O ATOM 0 H SER A 63 -9.569 7.942 -3.201 1.00 0.00 H new ATOM 0 HA SER A 63 -11.255 7.207 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.547 6.221 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.394 5.456 -0.716 1.00 0.00 H new ATOM 0 HG SER A 63 -9.872 4.455 -2.753 1.00 0.00 H new ATOM 931 N ASN A 64 -10.007 7.564 1.140 1.00 0.00 N ATOM 932 CA ASN A 64 -9.469 8.067 2.406 1.00 0.00 C ATOM 933 C ASN A 64 -8.323 7.191 2.919 1.00 0.00 C ATOM 934 O ASN A 64 -8.038 6.131 2.360 1.00 0.00 O ATOM 935 CB ASN A 64 -10.579 8.144 3.458 1.00 0.00 C ATOM 936 CG ASN A 64 -11.138 9.546 3.609 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.764 10.280 4.524 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.041 9.926 2.711 1.00 0.00 N ATOM 0 H ASN A 64 -10.756 6.880 1.245 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.072 9.066 2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.384 7.463 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.190 7.806 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.452 10.858 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.323 9.286 1.969 1.00 0.00 H new ATOM 945 N HIS A 65 -7.666 7.649 3.987 1.00 0.00 N ATOM 946 CA HIS A 65 -6.545 6.916 4.576 1.00 0.00 C ATOM 947 C HIS A 65 -7.001 5.581 5.169 1.00 0.00 C ATOM 948 O HIS A 65 -6.586 4.518 4.707 1.00 0.00 O ATOM 949 CB HIS A 65 -5.859 7.763 5.654 1.00 0.00 C ATOM 950 CG HIS A 65 -4.840 7.004 6.445 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.148 6.302 7.591 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.515 6.821 6.238 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.058 5.720 8.054 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.054 6.018 7.250 1.00 0.00 N ATOM 0 H HIS A 65 -7.891 8.524 4.461 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.831 6.706 3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.378 8.619 5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.616 8.157 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.930 7.231 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.997 5.105 8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.091 5.702 7.363 1.00 0.00 H new ATOM 963 N LEU A 66 -7.854 5.645 6.196 1.00 0.00 N ATOM 964 CA LEU A 66 -8.363 4.438 6.852 1.00 0.00 C ATOM 965 C LEU A 66 -9.048 3.512 5.846 1.00 0.00 C ATOM 966 O LEU A 66 -9.030 2.292 6.007 1.00 0.00 O ATOM 967 CB LEU A 66 -9.340 4.804 7.976 1.00 0.00 C ATOM 968 CG LEU A 66 -8.705 4.970 9.360 1.00 0.00 C ATOM 969 CD1 LEU A 66 -9.487 5.973 10.196 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.622 3.626 10.073 1.00 0.00 C ATOM 0 H LEU A 66 -8.205 6.518 6.590 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.512 3.910 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.843 5.734 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.107 4.032 8.035 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.693 5.354 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.018 6.075 11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.492 6.940 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.512 5.623 10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.168 3.762 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.624 3.214 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.014 2.939 9.485 1.00 0.00 H new ATOM 982 N GLU A 67 -9.647 4.097 4.806 1.00 0.00 N ATOM 983 CA GLU A 67 -10.328 3.316 3.778 1.00 0.00 C ATOM 984 C GLU A 67 -9.351 2.390 3.053 1.00 0.00 C ATOM 985 O GLU A 67 -9.637 1.209 2.854 1.00 0.00 O ATOM 986 CB GLU A 67 -11.011 4.241 2.768 1.00 0.00 C ATOM 987 CG GLU A 67 -12.529 4.157 2.794 1.00 0.00 C ATOM 988 CD GLU A 67 -13.141 4.225 1.410 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.399 5.348 0.929 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.359 3.154 0.804 1.00 0.00 O ATOM 0 H GLU A 67 -9.673 5.106 4.656 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.084 2.704 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.709 5.269 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.659 3.994 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.829 3.226 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.924 4.971 3.402 1.00 0.00 H new ATOM 997 N VAL A 68 -8.201 2.935 2.654 1.00 0.00 N ATOM 998 CA VAL A 68 -7.188 2.156 1.944 1.00 0.00 C ATOM 999 C VAL A 68 -6.651 1.016 2.809 1.00 0.00 C ATOM 1000 O VAL A 68 -6.641 -0.141 2.386 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.008 3.040 1.484 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.013 2.228 0.669 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -6.507 4.238 0.684 1.00 0.00 C ATOM 0 H VAL A 68 -7.949 3.911 2.810 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.680 1.737 1.066 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.499 3.413 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.190 2.870 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.625 1.412 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.511 1.820 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.658 4.846 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.047 3.888 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.173 4.838 1.304 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.201 1.348 4.020 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.658 0.346 4.933 1.00 0.00 C ATOM 1015 C VAL A 69 -6.693 -0.738 5.258 1.00 0.00 C ATOM 1016 O VAL A 69 -6.366 -1.928 5.277 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.133 0.991 6.238 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.249 1.692 6.997 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.445 -0.046 7.117 1.00 0.00 C ATOM 0 H VAL A 69 -6.202 2.299 4.388 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.818 -0.124 4.422 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.396 1.745 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.847 2.134 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.678 2.475 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.023 0.969 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.084 0.431 8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.154 -0.832 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.603 -0.480 6.577 1.00 0.00 H new ATOM 1029 N LYS A 70 -7.942 -0.325 5.497 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.016 -1.269 5.805 1.00 0.00 C ATOM 1031 C LYS A 70 -9.242 -2.233 4.640 1.00 0.00 C ATOM 1032 O LYS A 70 -9.371 -3.440 4.843 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.319 -0.526 6.129 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.292 -1.333 6.979 1.00 0.00 C ATOM 1035 CD LYS A 70 -12.544 -0.531 7.310 1.00 0.00 C ATOM 1036 CE LYS A 70 -12.619 -0.194 8.792 1.00 0.00 C ATOM 1037 NZ LYS A 70 -14.006 -0.321 9.327 1.00 0.00 N ATOM 0 H LYS A 70 -8.231 0.653 5.483 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.714 -1.843 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.078 0.401 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.810 -0.249 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.572 -2.243 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.801 -1.641 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.552 0.390 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.428 -1.099 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.955 -0.856 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.262 0.823 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.011 -0.082 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.636 0.329 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.339 -1.298 9.200 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.283 -1.694 3.421 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.487 -2.512 2.226 1.00 0.00 C ATOM 1053 C LEU A 71 -8.352 -3.520 2.056 1.00 0.00 C ATOM 1054 O LEU A 71 -8.596 -4.700 1.803 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.598 -1.629 0.977 1.00 0.00 C ATOM 1056 CG LEU A 71 -11.008 -1.117 0.665 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -10.952 0.284 0.068 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.725 -2.073 -0.279 1.00 0.00 C ATOM 0 H LEU A 71 -9.178 -0.696 3.236 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.421 -3.060 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.936 -0.772 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.235 -2.194 0.118 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.569 -1.068 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.964 0.629 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.480 0.963 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.373 0.263 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.725 -1.694 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.164 -2.154 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.800 -3.056 0.186 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.112 -3.051 2.205 1.00 0.00 N ATOM 1071 CA ILE A 72 -5.947 -3.924 2.074 1.00 0.00 C ATOM 1072 C ILE A 72 -5.932 -4.972 3.186 1.00 0.00 C ATOM 1073 O ILE A 72 -5.668 -6.147 2.933 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.620 -3.131 2.104 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.642 -2.002 1.069 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.438 -4.060 1.847 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -3.785 -0.814 1.451 1.00 0.00 C ATOM 0 H ILE A 72 -6.890 -2.078 2.415 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.029 -4.416 1.105 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.508 -2.690 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.301 -2.392 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.670 -1.668 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.512 -3.486 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.407 -4.831 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.549 -4.528 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.849 -0.054 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.139 -0.398 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.749 -1.134 1.562 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.224 -4.542 4.415 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.246 -5.459 5.553 1.00 0.00 C ATOM 1091 C LYS A 73 -7.372 -6.486 5.415 1.00 0.00 C ATOM 1092 O LYS A 73 -7.234 -7.628 5.857 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.402 -4.690 6.868 1.00 0.00 C ATOM 1094 CG LYS A 73 -5.195 -4.811 7.787 1.00 0.00 C ATOM 1095 CD LYS A 73 -5.431 -4.116 9.120 1.00 0.00 C ATOM 1096 CE LYS A 73 -5.352 -2.600 8.981 1.00 0.00 C ATOM 1097 NZ LYS A 73 -6.551 -1.922 9.550 1.00 0.00 N ATOM 0 H LYS A 73 -6.446 -3.574 4.645 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.294 -5.990 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.576 -3.637 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.286 -5.056 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.973 -5.864 7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.322 -4.377 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.410 -4.396 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.691 -4.455 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.457 -2.236 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.253 -2.338 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.456 -0.893 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.404 -2.249 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.632 -2.151 10.561 1.00 0.00 H new ATOM 1111 N SER A 74 -8.483 -6.077 4.799 1.00 0.00 N ATOM 1112 CA SER A 74 -9.626 -6.966 4.607 1.00 0.00 C ATOM 1113 C SER A 74 -9.473 -7.788 3.324 1.00 0.00 C ATOM 1114 O SER A 74 -10.278 -7.668 2.396 1.00 0.00 O ATOM 1115 CB SER A 74 -10.927 -6.158 4.564 1.00 0.00 C ATOM 1116 OG SER A 74 -12.002 -6.889 5.127 1.00 0.00 O ATOM 0 H SER A 74 -8.614 -5.137 4.426 1.00 0.00 H new ATOM 0 HA SER A 74 -9.664 -7.655 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.795 -5.223 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.162 -5.897 3.532 1.00 0.00 H new ATOM 0 HG SER A 74 -12.820 -6.350 5.088 1.00 0.00 H new ATOM 1122 N GLY A 75 -8.437 -8.624 3.279 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.200 -9.452 2.109 1.00 0.00 C ATOM 1124 C GLY A 75 -6.889 -10.210 2.183 1.00 0.00 C ATOM 1125 O GLY A 75 -5.919 -9.729 2.771 1.00 0.00 O ATOM 0 H GLY A 75 -7.759 -8.742 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.020 -10.162 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.202 -8.824 1.218 1.00 0.00 H new ATOM 1129 N SER A 76 -6.862 -11.400 1.586 1.00 0.00 N ATOM 1130 CA SER A 76 -5.661 -12.234 1.587 1.00 0.00 C ATOM 1131 C SER A 76 -4.698 -11.840 0.462 1.00 0.00 C ATOM 1132 O SER A 76 -3.486 -12.003 0.598 1.00 0.00 O ATOM 1133 CB SER A 76 -6.048 -13.713 1.458 1.00 0.00 C ATOM 1134 OG SER A 76 -4.912 -14.528 1.206 1.00 0.00 O ATOM 0 H SER A 76 -7.658 -11.809 1.095 1.00 0.00 H new ATOM 0 HA SER A 76 -5.146 -12.076 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.538 -14.043 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.769 -13.832 0.650 1.00 0.00 H new ATOM 0 HG SER A 76 -5.191 -15.464 1.130 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.236 -11.326 -0.648 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.406 -10.918 -1.780 1.00 0.00 C ATOM 1142 C TYR A 77 -4.799 -9.526 -2.270 1.00 0.00 C ATOM 1143 O TYR A 77 -5.985 -9.195 -2.331 1.00 0.00 O ATOM 1144 CB TYR A 77 -4.533 -11.927 -2.927 1.00 0.00 C ATOM 1145 CG TYR A 77 -3.587 -13.105 -2.820 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -3.756 -14.073 -1.836 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -2.528 -13.253 -3.708 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -2.898 -15.153 -1.742 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -1.666 -14.329 -3.620 1.00 0.00 C ATOM 1150 CZ TYR A 77 -1.855 -15.276 -2.635 1.00 0.00 C ATOM 1151 OH TYR A 77 -1.001 -16.351 -2.546 1.00 0.00 O ATOM 0 H TYR A 77 -6.237 -11.184 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.370 -10.889 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.557 -12.299 -2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.351 -11.413 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.571 -13.980 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.376 -12.514 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.044 -15.897 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.848 -14.428 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.322 -16.288 -3.250 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.798 -8.713 -2.621 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.046 -7.355 -3.106 1.00 0.00 C ATOM 1163 C VAL A 78 -3.038 -6.943 -4.179 1.00 0.00 C ATOM 1164 O VAL A 78 -1.835 -7.162 -4.034 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.000 -6.318 -1.960 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.147 -6.536 -0.985 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -2.661 -6.371 -1.240 1.00 0.00 C ATOM 0 H VAL A 78 -2.812 -8.972 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.047 -7.369 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.113 -5.326 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.093 -5.794 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.096 -6.435 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.075 -7.535 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.650 -5.633 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.513 -7.366 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.860 -6.152 -1.945 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.540 -6.327 -5.248 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.688 -5.864 -6.339 1.00 0.00 C ATOM 1179 C ALA A 79 -2.548 -4.345 -6.297 1.00 0.00 C ATOM 1180 O ALA A 79 -3.516 -3.619 -6.523 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.243 -6.316 -7.682 1.00 0.00 C ATOM 0 H ALA A 79 -4.533 -6.137 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.699 -6.304 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.594 -5.961 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.289 -7.405 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.244 -5.907 -7.818 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.345 -3.871 -5.984 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.085 -2.438 -5.889 1.00 0.00 C ATOM 1189 C LEU A 80 -0.392 -1.893 -7.137 1.00 0.00 C ATOM 1190 O LEU A 80 0.635 -2.419 -7.572 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.235 -2.142 -4.649 1.00 0.00 C ATOM 1192 CG LEU A 80 -0.989 -1.500 -3.482 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.002 -2.474 -2.894 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -0.011 -1.030 -2.412 1.00 0.00 C ATOM 0 H LEU A 80 -0.534 -4.459 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.049 -1.936 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.212 -3.074 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.584 -1.484 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.532 -0.633 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.527 -1.997 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.720 -2.760 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.485 -3.363 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.563 -0.576 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.559 -1.882 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.671 -0.296 -2.840 1.00 0.00 H new ATOM 1206 N THR A 81 -0.955 -0.820 -7.692 1.00 0.00 N ATOM 1207 CA THR A 81 -0.397 -0.172 -8.875 1.00 0.00 C ATOM 1208 C THR A 81 0.573 0.933 -8.456 1.00 0.00 C ATOM 1209 O THR A 81 0.154 1.980 -7.946 1.00 0.00 O ATOM 1210 CB THR A 81 -1.517 0.411 -9.743 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.521 -0.559 -9.986 1.00 0.00 O ATOM 1212 CG2 THR A 81 -1.037 0.917 -11.086 1.00 0.00 C ATOM 0 H THR A 81 -1.804 -0.380 -7.337 1.00 0.00 H new ATOM 0 HA THR A 81 0.144 -0.916 -9.460 1.00 0.00 H new ATOM 0 HB THR A 81 -1.909 1.254 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.228 -0.167 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.882 1.316 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.298 1.704 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.585 0.097 -11.644 1.00 0.00 H new ATOM 1220 N VAL A 82 1.870 0.687 -8.657 1.00 0.00 N ATOM 1221 CA VAL A 82 2.900 1.653 -8.283 1.00 0.00 C ATOM 1222 C VAL A 82 3.740 2.094 -9.483 1.00 0.00 C ATOM 1223 O VAL A 82 3.569 1.595 -10.594 1.00 0.00 O ATOM 1224 CB VAL A 82 3.832 1.087 -7.185 1.00 0.00 C ATOM 1225 CG1 VAL A 82 3.020 0.479 -6.051 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.796 0.059 -7.763 1.00 0.00 C ATOM 0 H VAL A 82 2.229 -0.171 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 82 2.374 2.524 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 82 4.419 1.914 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.695 0.087 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.381 1.244 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.402 -0.330 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.439 -0.323 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.231 -0.764 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.409 0.527 -8.533 1.00 0.00 H new ATOM 1236 N GLN A 83 4.647 3.039 -9.240 1.00 0.00 N ATOM 1237 CA GLN A 83 5.522 3.564 -10.281 1.00 0.00 C ATOM 1238 C GLN A 83 6.929 3.810 -9.732 1.00 0.00 C ATOM 1239 O GLN A 83 7.100 4.103 -8.542 1.00 0.00 O ATOM 1240 CB GLN A 83 4.937 4.864 -10.847 1.00 0.00 C ATOM 1241 CG GLN A 83 5.766 5.482 -11.963 1.00 0.00 C ATOM 1242 CD GLN A 83 5.157 6.764 -12.500 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.025 7.751 -11.775 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.781 6.758 -13.774 1.00 0.00 N ATOM 0 H GLN A 83 4.794 3.458 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 83 5.593 2.827 -11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.933 4.665 -11.222 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.838 5.588 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.770 5.688 -11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.867 4.763 -12.776 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.908 5.919 -14.339 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.365 7.593 -14.187 1.00 0.00 H new ATOM 1253 N GLY A 84 7.931 3.683 -10.604 1.00 0.00 N ATOM 1254 CA GLY A 84 9.309 3.888 -10.195 1.00 0.00 C ATOM 1255 C GLY A 84 10.161 4.529 -11.278 1.00 0.00 C ATOM 1256 O GLY A 84 9.685 4.784 -12.387 1.00 0.00 O ATOM 0 H GLY A 84 7.810 3.441 -11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.328 4.517 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.746 2.929 -9.917 1.00 0.00 H new ATOM 1260 N ARG A 85 11.428 4.789 -10.950 1.00 0.00 N ATOM 1261 CA ARG A 85 12.367 5.404 -11.889 1.00 0.00 C ATOM 1262 C ARG A 85 13.787 5.393 -11.322 1.00 0.00 C ATOM 1263 O ARG A 85 13.973 5.355 -10.105 1.00 0.00 O ATOM 1264 CB ARG A 85 11.942 6.844 -12.207 1.00 0.00 C ATOM 1265 CG ARG A 85 11.875 7.748 -10.987 1.00 0.00 C ATOM 1266 CD ARG A 85 11.683 9.204 -11.384 1.00 0.00 C ATOM 1267 NE ARG A 85 11.608 10.087 -10.220 1.00 0.00 N ATOM 1268 CZ ARG A 85 11.079 11.313 -10.242 1.00 0.00 C ATOM 1269 NH1 ARG A 85 10.577 11.814 -11.368 1.00 0.00 N ATOM 1270 NH2 ARG A 85 11.055 12.041 -9.132 1.00 0.00 N ATOM 0 H ARG A 85 11.829 4.582 -10.035 1.00 0.00 H new ATOM 0 HA ARG A 85 12.355 4.820 -12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.643 7.270 -12.925 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.964 6.826 -12.689 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.053 7.433 -10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.791 7.646 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.509 9.517 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.770 9.302 -11.972 1.00 0.00 H new ATOM 0 HE ARG A 85 11.984 9.745 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.594 11.261 -12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.175 12.751 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.440 11.663 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.652 12.978 -9.145 1.00 0.00 H new ATOM 1284 N PRO A 86 14.812 5.432 -12.199 1.00 0.00 N ATOM 1285 CA PRO A 86 16.220 5.432 -11.778 1.00 0.00 C ATOM 1286 C PRO A 86 16.547 6.612 -10.861 1.00 0.00 C ATOM 1287 O PRO A 86 16.571 7.760 -11.303 1.00 0.00 O ATOM 1288 CB PRO A 86 17.000 5.542 -13.096 1.00 0.00 C ATOM 1289 CG PRO A 86 16.010 6.030 -14.099 1.00 0.00 C ATOM 1290 CD PRO A 86 14.681 5.485 -13.665 1.00 0.00 C ATOM 0 HA PRO A 86 16.470 4.541 -11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 86 17.837 6.233 -13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.415 4.578 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.993 7.119 -14.133 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.266 5.684 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.859 6.130 -13.974 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.490 4.500 -14.090 1.00 0.00 H new ATOM 1298 N PRO A 87 16.795 6.342 -9.562 1.00 0.00 N ATOM 1299 CA PRO A 87 17.112 7.390 -8.584 1.00 0.00 C ATOM 1300 C PRO A 87 18.481 8.016 -8.825 1.00 0.00 C ATOM 1301 O PRO A 87 19.388 7.371 -9.355 1.00 0.00 O ATOM 1302 CB PRO A 87 17.084 6.654 -7.243 1.00 0.00 C ATOM 1303 CG PRO A 87 17.368 5.232 -7.583 1.00 0.00 C ATOM 1304 CD PRO A 87 16.781 5.001 -8.948 1.00 0.00 C ATOM 0 HA PRO A 87 16.409 8.221 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 87 17.831 7.053 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.115 6.758 -6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.441 5.039 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.923 4.560 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.373 4.290 -9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.770 4.598 -8.887 1.00 0.00 H new ATOM 1312 N GLY A 88 18.620 9.280 -8.434 1.00 0.00 N ATOM 1313 CA GLY A 88 19.876 9.982 -8.619 1.00 0.00 C ATOM 1314 C GLY A 88 20.104 10.378 -10.066 1.00 0.00 C ATOM 1315 O GLY A 88 21.205 10.216 -10.594 1.00 0.00 O ATOM 0 H GLY A 88 17.884 9.830 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.887 10.875 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.697 9.348 -8.284 1.00 0.00 H new ATOM 1319 N SER A 89 19.057 10.898 -10.706 1.00 0.00 N ATOM 1320 CA SER A 89 19.134 11.323 -12.101 1.00 0.00 C ATOM 1321 C SER A 89 19.818 12.687 -12.229 1.00 0.00 C ATOM 1322 O SER A 89 20.197 13.052 -13.363 1.00 0.00 O ATOM 1323 CB SER A 89 17.732 11.388 -12.716 1.00 0.00 C ATOM 1324 OG SER A 89 16.852 10.462 -12.098 1.00 0.00 O ATOM 1325 OXT SER A 89 19.972 13.378 -11.198 1.00 0.00 O ATOM 0 H SER A 89 18.142 11.035 -10.277 1.00 0.00 H new ATOM 0 HA SER A 89 19.731 10.587 -12.640 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.333 12.397 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.791 11.179 -13.784 1.00 0.00 H new ATOM 0 HG SER A 89 17.282 9.582 -12.053 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -5.164 17.570 10.533 1.00 0.00 N ATOM 1333 CA VAL B 90 -3.706 17.399 10.271 1.00 0.00 C ATOM 1334 C VAL B 90 -3.376 17.493 8.778 1.00 0.00 C ATOM 1335 O VAL B 90 -2.261 17.864 8.409 1.00 0.00 O ATOM 1336 CB VAL B 90 -3.182 16.047 10.811 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -3.272 16.007 12.329 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -3.943 14.880 10.191 1.00 0.00 C ATOM 0 HA VAL B 90 -3.211 18.215 10.797 1.00 0.00 H new ATOM 0 HB VAL B 90 -2.134 15.951 10.528 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -2.899 15.049 12.690 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -2.671 16.813 12.750 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -4.311 16.131 12.635 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -3.555 13.941 10.587 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -5.002 14.966 10.433 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -3.816 14.897 9.109 1.00 0.00 H new ATOM 1350 N GLU B 91 -4.347 17.143 7.922 1.00 0.00 N ATOM 1351 CA GLU B 91 -4.152 17.176 6.471 1.00 0.00 C ATOM 1352 C GLU B 91 -2.957 16.305 6.061 1.00 0.00 C ATOM 1353 O GLU B 91 -2.230 16.626 5.118 1.00 0.00 O ATOM 1354 CB GLU B 91 -3.958 18.620 5.990 1.00 0.00 C ATOM 1355 CG GLU B 91 -5.085 19.121 5.100 1.00 0.00 C ATOM 1356 CD GLU B 91 -4.714 19.141 3.629 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -4.263 18.096 3.114 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -4.878 20.202 2.990 1.00 0.00 O ATOM 0 H GLU B 91 -5.275 16.834 8.213 1.00 0.00 H new ATOM 0 HA GLU B 91 -5.045 16.770 5.996 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -3.872 19.275 6.857 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -3.017 18.689 5.444 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -5.960 18.487 5.240 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -5.367 20.127 5.412 1.00 0.00 H new ATOM 1365 N ASN B 92 -2.766 15.198 6.781 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.669 14.273 6.506 1.00 0.00 C ATOM 1367 C ASN B 92 -2.200 12.918 6.038 1.00 0.00 C ATOM 1368 O ASN B 92 -3.414 12.704 5.982 1.00 0.00 O ATOM 1369 CB ASN B 92 -0.810 14.091 7.762 1.00 0.00 C ATOM 1370 CG ASN B 92 0.566 14.717 7.625 1.00 0.00 C ATOM 1371 OD1 ASN B 92 1.504 14.080 7.145 1.00 0.00 O ATOM 1372 ND2 ASN B 92 0.695 15.970 8.050 1.00 0.00 N ATOM 0 H ASN B 92 -3.361 14.921 7.562 1.00 0.00 H new ATOM 0 HA ASN B 92 -1.058 14.696 5.709 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -1.323 14.534 8.616 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.702 13.027 7.972 1.00 0.00 H new ATOM 0 HD21 ASN B 92 1.598 16.440 7.985 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -0.109 16.461 8.441 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.287 12.003 5.707 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.668 10.670 5.249 1.00 0.00 C ATOM 1381 C LYS B 93 -0.476 9.712 5.273 1.00 0.00 C ATOM 1382 O LYS B 93 0.302 9.647 4.319 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.258 10.744 3.839 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.425 9.797 3.613 1.00 0.00 C ATOM 1385 CD LYS B 93 -4.029 9.993 2.233 1.00 0.00 C ATOM 1386 CE LYS B 93 -5.271 9.139 2.029 1.00 0.00 C ATOM 1387 NZ LYS B 93 -4.931 7.717 1.742 1.00 0.00 N ATOM 0 H LYS B 93 -0.280 12.162 5.748 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.424 10.283 5.933 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.588 11.765 3.646 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.475 10.520 3.115 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.087 8.766 3.723 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.187 9.966 4.374 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.285 11.044 2.095 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.288 9.743 1.474 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.896 9.189 2.921 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.858 9.545 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.806 7.164 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.385 7.662 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -4.364 7.331 2.524 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.345 8.968 6.370 1.00 0.00 N ATOM 1402 CA VAL B 94 0.744 8.005 6.527 1.00 0.00 C ATOM 1403 C VAL B 94 0.225 6.685 7.098 1.00 0.00 C ATOM 1404 O VAL B 94 -0.594 6.679 8.020 1.00 0.00 O ATOM 1405 CB VAL B 94 1.861 8.551 7.443 1.00 0.00 C ATOM 1406 CG1 VAL B 94 2.547 9.750 6.800 1.00 0.00 C ATOM 1407 CG2 VAL B 94 1.310 8.913 8.818 1.00 0.00 C ATOM 0 H VAL B 94 -0.982 9.014 7.166 1.00 0.00 H new ATOM 0 HA VAL B 94 1.161 7.833 5.535 1.00 0.00 H new ATOM 0 HB VAL B 94 2.604 7.765 7.576 1.00 0.00 H new ATOM 0 HG11 VAL B 94 3.330 10.119 7.462 1.00 0.00 H new ATOM 0 HG12 VAL B 94 2.987 9.451 5.849 1.00 0.00 H new ATOM 0 HG13 VAL B 94 1.815 10.539 6.629 1.00 0.00 H new ATOM 0 HG21 VAL B 94 2.116 9.295 9.444 1.00 0.00 H new ATOM 0 HG22 VAL B 94 0.540 9.677 8.712 1.00 0.00 H new ATOM 0 HG23 VAL B 94 0.879 8.026 9.282 1.00 0.00 H new ATOM 1417 N THR B 95 0.700 5.568 6.546 1.00 0.00 N ATOM 1418 CA THR B 95 0.275 4.241 6.996 1.00 0.00 C ATOM 1419 C THR B 95 1.471 3.309 7.172 1.00 0.00 C ATOM 1420 O THR B 95 2.249 3.106 6.242 1.00 0.00 O ATOM 1421 CB THR B 95 -0.710 3.627 5.993 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.460 4.635 5.333 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.695 2.663 6.627 1.00 0.00 C ATOM 0 H THR B 95 1.380 5.555 5.786 1.00 0.00 H new ATOM 0 HA THR B 95 -0.217 4.360 7.961 1.00 0.00 H new ATOM 0 HB THR B 95 -0.088 3.075 5.288 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.080 4.219 4.698 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.361 2.267 5.860 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.151 1.842 7.095 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.282 3.186 7.382 1.00 0.00 H new ATOM 1431 N ASP B 96 1.605 2.736 8.364 1.00 0.00 N ATOM 1432 CA ASP B 96 2.701 1.815 8.653 1.00 0.00 C ATOM 1433 C ASP B 96 2.161 0.463 9.109 1.00 0.00 C ATOM 1434 O ASP B 96 1.547 0.351 10.171 1.00 0.00 O ATOM 1435 CB ASP B 96 3.642 2.410 9.710 1.00 0.00 C ATOM 1436 CG ASP B 96 2.956 2.670 11.039 1.00 0.00 C ATOM 1437 OD1 ASP B 96 2.004 3.478 11.071 1.00 0.00 O ATOM 1438 OD2 ASP B 96 3.378 2.070 12.051 1.00 0.00 O ATOM 0 H ASP B 96 0.969 2.893 9.146 1.00 0.00 H new ATOM 0 HA ASP B 96 3.271 1.662 7.737 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.479 1.730 9.867 1.00 0.00 H new ATOM 0 HB3 ASP B 96 4.057 3.345 9.333 1.00 0.00 H new ATOM 1443 N LEU B 97 2.387 -0.558 8.286 1.00 0.00 N ATOM 1444 CA LEU B 97 1.924 -1.911 8.583 1.00 0.00 C ATOM 1445 C LEU B 97 3.079 -2.811 9.023 1.00 0.00 C ATOM 1446 O LEU B 97 2.806 -3.951 9.456 1.00 0.00 O ATOM 1447 CB LEU B 97 1.238 -2.509 7.350 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.226 -2.107 7.166 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -0.380 -1.179 5.968 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.099 -3.342 7.004 1.00 0.00 C ATOM 1451 OXT LEU B 97 4.245 -2.372 8.929 1.00 0.00 O ATOM 0 H LEU B 97 2.891 -0.473 7.403 1.00 0.00 H new ATOM 0 HA LEU B 97 1.211 -1.851 9.405 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.795 -2.210 6.462 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.296 -3.596 7.412 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.551 -1.570 8.057 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -1.428 -0.904 5.853 1.00 0.00 H new ATOM 0 HD12 LEU B 97 0.216 -0.280 6.125 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -0.038 -1.688 5.067 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.138 -3.039 6.874 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.773 -3.906 6.130 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.012 -3.968 7.892 1.00 0.00 H new TER 1463 LEU B 97