USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 674 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 112 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00394) USER MOD Set 1.2: A 114 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 HIS : no HE2:sc= -3.61! C(o=-3.8!,f=-5.3!) USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= -0.145 USER MOD Set 4.1: A 43 ASN : amide:sc= 0.583 K(o=1.8,f=-4.5!) USER MOD Set 4.2: A 58 SER OG : rot 69:sc= 1.17 USER MOD Set 5.1: A 54 SER OG : rot 180:sc= 1.02 USER MOD Set 5.2: A 57 SER OG : rot 134:sc= 1.26 USER MOD Set 6.1: A 4 ASN : amide:sc= -0.029 K(o=-2,f=-2.6) USER MOD Set 6.2: A 7 ASN : amide:sc= -1.97! C(o=-2!,f=-4.9!) USER MOD Set 6.3: A 89 ASN : amide:sc= -0.0334 K(o=-2,f=-2.8) USER MOD Set 7.1: A 1 MET N :NH3+ -119:sc= 1.13 (180deg=0.025) USER MOD Set 7.2: A 2 GLN : amide:sc= 0.036 K(o=1.2,f=-2) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.075 (180deg=-0.542) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.752 K(o=0.75,f=-8.1!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0808 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.3! C(o=-4.3!,f=-3.3!) USER MOD Single : A 38 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.62) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.77! C(o=-4.8!,f=-7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 42:sc= 0.0634 USER MOD Single : A 65 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.16) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -112:sc= -0.407! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.12) USER MOD Single : A 84 SER OG : rot 40:sc= 0.0741 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 153:sc= -3.04 (180deg=-3.52!) USER MOD Single : A 90 TYR OH : rot -55:sc= 0.291 USER MOD Single : A 94 ASN : amide:sc= -1.43! C(o=-1.4!,f=-5.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc=-0.00697 USER MOD Single : A 106 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.75) USER MOD Single : A 109 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.464 -3.606 -0.188 1.00 0.00 N ATOM 2 CA MET A 1 16.484 -3.294 0.877 1.00 0.00 C ATOM 3 C MET A 1 15.115 -2.985 0.276 1.00 0.00 C ATOM 4 O MET A 1 14.393 -2.103 0.748 1.00 0.00 O ATOM 5 CB MET A 1 16.970 -2.115 1.739 1.00 0.00 C ATOM 6 CG MET A 1 17.136 -0.801 0.981 1.00 0.00 C ATOM 7 SD MET A 1 18.486 -0.833 -0.217 1.00 0.00 S ATOM 8 CE MET A 1 19.903 -1.000 0.868 1.00 0.00 C ATOM 0 H1 MET A 1 17.821 -4.574 -0.058 1.00 0.00 H new ATOM 0 H2 MET A 1 17.003 -3.528 -1.117 1.00 0.00 H new ATOM 0 H3 MET A 1 18.257 -2.935 -0.138 1.00 0.00 H new ATOM 0 HA MET A 1 16.390 -4.171 1.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.263 -1.962 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.925 -2.382 2.191 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.206 -0.568 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.313 0.003 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.804 -0.684 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.761 -0.377 1.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.007 -2.041 1.172 1.00 0.00 H new ATOM 18 N GLN A 2 14.765 -3.713 -0.777 1.00 0.00 N ATOM 19 CA GLN A 2 13.486 -3.534 -1.439 1.00 0.00 C ATOM 20 C GLN A 2 12.524 -4.615 -0.975 1.00 0.00 C ATOM 21 O GLN A 2 12.820 -5.808 -1.052 1.00 0.00 O ATOM 22 CB GLN A 2 13.643 -3.582 -2.964 1.00 0.00 C ATOM 23 CG GLN A 2 14.268 -2.334 -3.571 1.00 0.00 C ATOM 24 CD GLN A 2 15.724 -2.144 -3.203 1.00 0.00 C ATOM 25 OE1 GLN A 2 16.461 -3.104 -2.984 1.00 0.00 O ATOM 26 NE2 GLN A 2 16.143 -0.897 -3.122 1.00 0.00 N ATOM 0 H GLN A 2 15.355 -4.436 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 2 13.089 -2.554 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.255 -4.445 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.662 -3.738 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.180 -2.385 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.703 -1.460 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.499 -0.129 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.111 -0.700 -2.870 1.00 0.00 H new ATOM 33 N CYS A 3 11.378 -4.179 -0.488 1.00 0.00 N ATOM 34 CA CYS A 3 10.357 -5.077 0.020 1.00 0.00 C ATOM 35 C CYS A 3 9.675 -5.844 -1.100 1.00 0.00 C ATOM 36 O CYS A 3 9.746 -7.072 -1.137 1.00 0.00 O ATOM 37 CB CYS A 3 9.328 -4.291 0.819 1.00 0.00 C ATOM 38 SG CYS A 3 9.734 -4.110 2.589 1.00 0.00 S ATOM 0 H CYS A 3 11.128 -3.192 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 3 10.844 -5.805 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.223 -3.299 0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.360 -4.784 0.728 1.00 0.00 H new ATOM 42 N ASN A 4 8.999 -5.125 -1.997 1.00 0.00 N ATOM 43 CA ASN A 4 8.315 -5.742 -3.128 1.00 0.00 C ATOM 44 C ASN A 4 7.305 -6.791 -2.649 1.00 0.00 C ATOM 45 O ASN A 4 7.504 -7.990 -2.845 1.00 0.00 O ATOM 46 CB ASN A 4 9.337 -6.385 -4.078 1.00 0.00 C ATOM 47 CG ASN A 4 10.428 -5.430 -4.529 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.229 -4.222 -4.609 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.596 -5.972 -4.827 1.00 0.00 N ATOM 0 H ASN A 4 8.912 -4.109 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 4 7.771 -4.965 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.796 -7.240 -3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.815 -6.768 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.368 -5.382 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.725 -6.981 -4.749 1.00 0.00 H new ATOM 55 N PHE A 5 6.216 -6.331 -2.032 1.00 0.00 N ATOM 56 CA PHE A 5 5.188 -7.230 -1.503 1.00 0.00 C ATOM 57 C PHE A 5 4.601 -8.123 -2.601 1.00 0.00 C ATOM 58 O PHE A 5 4.356 -9.306 -2.391 1.00 0.00 O ATOM 59 CB PHE A 5 4.066 -6.433 -0.817 1.00 0.00 C ATOM 60 CG PHE A 5 3.078 -5.789 -1.754 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.452 -4.738 -2.574 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.769 -6.238 -1.802 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.536 -4.147 -3.423 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.850 -5.652 -2.649 1.00 0.00 C ATOM 65 CZ PHE A 5 1.235 -4.605 -3.461 1.00 0.00 C ATOM 0 H PHE A 5 6.022 -5.340 -1.886 1.00 0.00 H new ATOM 0 HA PHE A 5 5.668 -7.872 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.525 -7.100 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.518 -5.657 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.469 -4.377 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.463 -7.057 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.838 -3.327 -4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.168 -6.012 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.519 -4.145 -4.126 1.00 0.00 H new ATOM 74 N ALA A 6 4.427 -7.546 -3.781 1.00 0.00 N ATOM 75 CA ALA A 6 3.838 -8.239 -4.924 1.00 0.00 C ATOM 76 C ALA A 6 4.708 -9.368 -5.453 1.00 0.00 C ATOM 77 O ALA A 6 4.206 -10.292 -6.091 1.00 0.00 O ATOM 78 CB ALA A 6 3.569 -7.239 -6.028 1.00 0.00 C ATOM 0 H ALA A 6 4.691 -6.580 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 6 2.910 -8.696 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.129 -7.751 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.879 -6.476 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.505 -6.768 -6.329 1.00 0.00 H new ATOM 84 N ASN A 7 6.000 -9.310 -5.180 1.00 0.00 N ATOM 85 CA ASN A 7 6.921 -10.332 -5.665 1.00 0.00 C ATOM 86 C ASN A 7 6.689 -11.661 -4.966 1.00 0.00 C ATOM 87 O ASN A 7 7.090 -12.712 -5.463 1.00 0.00 O ATOM 88 CB ASN A 7 8.375 -9.897 -5.479 1.00 0.00 C ATOM 89 CG ASN A 7 8.766 -8.744 -6.384 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.942 -7.893 -6.729 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.029 -8.704 -6.776 1.00 0.00 N ATOM 0 H ASN A 7 6.437 -8.572 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 7 6.727 -10.461 -6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.532 -9.606 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.031 -10.745 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.351 -7.951 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.681 -9.426 -6.470 1.00 0.00 H new ATOM 97 N SER A 8 6.036 -11.616 -3.817 1.00 0.00 N ATOM 98 CA SER A 8 5.766 -12.825 -3.063 1.00 0.00 C ATOM 99 C SER A 8 4.288 -12.923 -2.689 1.00 0.00 C ATOM 100 O SER A 8 3.900 -13.788 -1.905 1.00 0.00 O ATOM 101 CB SER A 8 6.627 -12.850 -1.802 1.00 0.00 C ATOM 102 OG SER A 8 8.004 -12.690 -2.112 1.00 0.00 O ATOM 0 H SER A 8 5.685 -10.759 -3.389 1.00 0.00 H new ATOM 0 HA SER A 8 6.013 -13.682 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.310 -12.055 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.478 -13.793 -1.276 1.00 0.00 H new ATOM 0 HG SER A 8 8.530 -12.708 -1.285 1.00 0.00 H new ATOM 107 N CYS A 9 3.466 -12.048 -3.258 1.00 0.00 N ATOM 108 CA CYS A 9 2.035 -12.047 -2.965 1.00 0.00 C ATOM 109 C CYS A 9 1.211 -12.323 -4.213 1.00 0.00 C ATOM 110 O CYS A 9 1.498 -11.809 -5.293 1.00 0.00 O ATOM 111 CB CYS A 9 1.596 -10.718 -2.345 1.00 0.00 C ATOM 112 SG CYS A 9 1.212 -10.815 -0.563 1.00 0.00 S ATOM 0 H CYS A 9 3.763 -11.333 -3.922 1.00 0.00 H new ATOM 0 HA CYS A 9 1.859 -12.847 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.385 -9.981 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.716 -10.355 -2.876 1.00 0.00 H new ATOM 116 N THR A 10 0.182 -13.137 -4.046 1.00 0.00 N ATOM 117 CA THR A 10 -0.704 -13.498 -5.141 1.00 0.00 C ATOM 118 C THR A 10 -2.166 -13.360 -4.727 1.00 0.00 C ATOM 119 O THR A 10 -2.494 -13.494 -3.544 1.00 0.00 O ATOM 120 CB THR A 10 -0.445 -14.946 -5.597 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.366 -15.810 -4.453 1.00 0.00 O ATOM 122 CG2 THR A 10 0.838 -15.039 -6.403 1.00 0.00 C ATOM 0 H THR A 10 -0.062 -13.564 -3.153 1.00 0.00 H new ATOM 0 HA THR A 10 -0.499 -12.816 -5.966 1.00 0.00 H new ATOM 0 HB THR A 10 -1.273 -15.260 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.203 -16.730 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.999 -16.071 -6.713 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.761 -14.403 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.677 -14.710 -5.790 1.00 0.00 H new ATOM 130 N GLY A 11 -3.033 -13.079 -5.699 1.00 0.00 N ATOM 131 CA GLY A 11 -4.453 -12.938 -5.427 1.00 0.00 C ATOM 132 C GLY A 11 -4.756 -11.847 -4.422 1.00 0.00 C ATOM 133 O GLY A 11 -5.489 -12.066 -3.456 1.00 0.00 O ATOM 0 H GLY A 11 -2.773 -12.946 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.976 -12.722 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.842 -13.886 -5.055 1.00 0.00 H new ATOM 137 N VAL A 12 -4.188 -10.674 -4.637 1.00 0.00 N ATOM 138 CA VAL A 12 -4.401 -9.552 -3.733 1.00 0.00 C ATOM 139 C VAL A 12 -5.699 -8.812 -4.055 1.00 0.00 C ATOM 140 O VAL A 12 -5.948 -8.424 -5.199 1.00 0.00 O ATOM 141 CB VAL A 12 -3.213 -8.570 -3.767 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.992 -9.200 -3.120 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.905 -8.149 -5.191 1.00 0.00 C ATOM 0 H VAL A 12 -3.576 -10.471 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.481 -9.965 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.485 -7.679 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.160 -8.496 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.218 -9.450 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.720 -10.106 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.064 -7.456 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.652 -9.028 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.778 -7.660 -5.623 1.00 0.00 H new ATOM 153 N GLU A 13 -6.527 -8.639 -3.037 1.00 0.00 N ATOM 154 CA GLU A 13 -7.806 -7.956 -3.189 1.00 0.00 C ATOM 155 C GLU A 13 -7.825 -6.679 -2.360 1.00 0.00 C ATOM 156 O GLU A 13 -7.376 -6.676 -1.212 1.00 0.00 O ATOM 157 CB GLU A 13 -8.944 -8.876 -2.757 1.00 0.00 C ATOM 158 CG GLU A 13 -8.909 -10.233 -3.440 1.00 0.00 C ATOM 159 CD GLU A 13 -10.052 -11.127 -3.018 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.116 -11.495 -1.826 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.890 -11.467 -3.876 1.00 0.00 O ATOM 0 H GLU A 13 -6.336 -8.964 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.940 -7.694 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.897 -9.019 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.896 -8.392 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.943 -10.093 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.964 -10.726 -3.212 1.00 0.00 H new ATOM 166 N LEU A 14 -8.351 -5.603 -2.933 1.00 0.00 N ATOM 167 CA LEU A 14 -8.400 -4.324 -2.238 1.00 0.00 C ATOM 168 C LEU A 14 -9.832 -3.837 -2.051 1.00 0.00 C ATOM 169 O LEU A 14 -10.614 -3.796 -3.003 1.00 0.00 O ATOM 170 CB LEU A 14 -7.591 -3.278 -3.010 1.00 0.00 C ATOM 171 CG LEU A 14 -7.604 -1.863 -2.419 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.067 -1.855 -0.996 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.789 -0.938 -3.282 1.00 0.00 C ATOM 0 H LEU A 14 -8.748 -5.591 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.965 -4.467 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.557 -3.617 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.972 -3.230 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.637 -1.517 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.089 -0.838 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.686 -2.498 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.041 -2.223 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.803 0.065 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.761 -1.297 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.211 -0.911 -4.286 1.00 0.00 H new ATOM 184 N TYR A 15 -10.162 -3.481 -0.815 1.00 0.00 N ATOM 185 CA TYR A 15 -11.486 -2.972 -0.477 1.00 0.00 C ATOM 186 C TYR A 15 -11.376 -1.731 0.402 1.00 0.00 C ATOM 187 O TYR A 15 -11.073 -1.827 1.592 1.00 0.00 O ATOM 188 CB TYR A 15 -12.316 -4.043 0.235 1.00 0.00 C ATOM 189 CG TYR A 15 -12.894 -5.084 -0.695 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.107 -4.864 -1.335 1.00 0.00 C ATOM 191 CD2 TYR A 15 -12.234 -6.283 -0.931 1.00 0.00 C ATOM 192 CE1 TYR A 15 -14.647 -5.807 -2.184 1.00 0.00 C ATOM 193 CE2 TYR A 15 -12.766 -7.233 -1.784 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.975 -6.988 -2.406 1.00 0.00 C ATOM 195 OH TYR A 15 -14.515 -7.926 -3.255 1.00 0.00 O ATOM 0 H TYR A 15 -9.523 -3.537 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.988 -2.703 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.691 -4.539 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.130 -3.559 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.636 -3.938 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.291 -6.477 -0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -15.592 -5.620 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.240 -8.159 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.919 -8.702 -3.306 1.00 0.00 H new ATOM 204 N GLY A 16 -11.594 -0.566 -0.191 1.00 0.00 N ATOM 205 CA GLY A 16 -11.522 0.682 0.551 1.00 0.00 C ATOM 206 C GLY A 16 -10.094 1.102 0.852 1.00 0.00 C ATOM 207 O GLY A 16 -9.615 2.112 0.345 1.00 0.00 O ATOM 0 H GLY A 16 -11.821 -0.460 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.015 1.469 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.070 0.576 1.487 1.00 0.00 H new ATOM 211 N TYR A 17 -9.420 0.325 1.688 1.00 0.00 N ATOM 212 CA TYR A 17 -8.039 0.604 2.066 1.00 0.00 C ATOM 213 C TYR A 17 -7.387 -0.619 2.707 1.00 0.00 C ATOM 214 O TYR A 17 -6.394 -0.504 3.429 1.00 0.00 O ATOM 215 CB TYR A 17 -7.965 1.817 3.011 1.00 0.00 C ATOM 216 CG TYR A 17 -9.063 1.860 4.054 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.013 1.055 5.181 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.147 2.719 3.908 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.009 1.100 6.134 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.148 2.772 4.859 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.074 1.959 5.970 1.00 0.00 C ATOM 222 OH TYR A 17 -12.068 2.006 6.922 1.00 0.00 O ATOM 0 H TYR A 17 -9.810 -0.512 2.122 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.486 0.843 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.999 1.811 3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.008 2.730 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.180 0.381 5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.207 3.355 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.954 0.464 7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.983 3.446 4.733 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.744 2.663 6.656 1.00 0.00 H new ATOM 231 N ILE A 18 -7.951 -1.792 2.439 1.00 0.00 N ATOM 232 CA ILE A 18 -7.420 -3.037 2.976 1.00 0.00 C ATOM 233 C ILE A 18 -7.054 -3.985 1.841 1.00 0.00 C ATOM 234 O ILE A 18 -7.863 -4.246 0.948 1.00 0.00 O ATOM 235 CB ILE A 18 -8.405 -3.737 3.943 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.755 -3.999 3.267 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.591 -2.904 5.204 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.741 -4.760 4.130 1.00 0.00 C ATOM 0 H ILE A 18 -8.777 -1.905 1.852 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.529 -2.780 3.549 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.978 -4.701 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.198 -3.045 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.586 -4.559 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.286 -3.409 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.630 -2.781 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.990 -1.925 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.671 -4.905 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.321 -5.731 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.942 -4.193 5.039 1.00 0.00 H new ATOM 249 N LEU A 19 -5.827 -4.473 1.868 1.00 0.00 N ATOM 250 CA LEU A 19 -5.331 -5.383 0.849 1.00 0.00 C ATOM 251 C LEU A 19 -5.077 -6.754 1.445 1.00 0.00 C ATOM 252 O LEU A 19 -4.199 -6.910 2.283 1.00 0.00 O ATOM 253 CB LEU A 19 -4.018 -4.852 0.275 1.00 0.00 C ATOM 254 CG LEU A 19 -4.045 -4.428 -1.190 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.717 -3.795 -1.568 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.338 -5.622 -2.083 1.00 0.00 C ATOM 0 H LEU A 19 -5.147 -4.251 2.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.082 -5.459 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.704 -3.997 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.256 -5.622 0.395 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.838 -3.694 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.742 -3.494 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.540 -2.919 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.914 -4.516 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.354 -5.302 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.564 -6.377 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.307 -6.045 -1.819 1.00 0.00 H new ATOM 267 N ARG A 20 -5.833 -7.742 1.023 1.00 0.00 N ATOM 268 CA ARG A 20 -5.632 -9.085 1.527 1.00 0.00 C ATOM 269 C ARG A 20 -5.209 -9.996 0.391 1.00 0.00 C ATOM 270 O ARG A 20 -5.817 -9.988 -0.680 1.00 0.00 O ATOM 271 CB ARG A 20 -6.891 -9.647 2.187 1.00 0.00 C ATOM 272 CG ARG A 20 -6.618 -10.933 2.953 1.00 0.00 C ATOM 273 CD ARG A 20 -7.707 -11.966 2.726 1.00 0.00 C ATOM 274 NE ARG A 20 -9.000 -11.547 3.263 1.00 0.00 N ATOM 275 CZ ARG A 20 -10.139 -12.205 3.050 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.153 -13.296 2.291 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.265 -11.772 3.595 1.00 0.00 N ATOM 0 H ARG A 20 -6.585 -7.645 0.340 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.852 -9.038 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.305 -8.903 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.646 -9.835 1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.657 -11.344 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.542 -10.713 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.806 -12.155 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.413 -12.907 3.191 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.032 -10.702 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.289 -13.634 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.028 -13.795 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.261 -10.935 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.137 -12.275 3.432 1.00 0.00 H new ATOM 288 N GLY A 21 -4.171 -10.773 0.625 1.00 0.00 N ATOM 289 CA GLY A 21 -3.686 -11.675 -0.391 1.00 0.00 C ATOM 290 C GLY A 21 -2.900 -12.818 0.196 1.00 0.00 C ATOM 291 O GLY A 21 -2.842 -12.978 1.419 1.00 0.00 O ATOM 0 H GLY A 21 -3.653 -10.796 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.529 -12.069 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.058 -11.126 -1.093 1.00 0.00 H new ATOM 295 N ASP A 22 -2.309 -13.617 -0.668 1.00 0.00 N ATOM 296 CA ASP A 22 -1.518 -14.752 -0.235 1.00 0.00 C ATOM 297 C ASP A 22 -0.043 -14.496 -0.488 1.00 0.00 C ATOM 298 O ASP A 22 0.404 -14.473 -1.636 1.00 0.00 O ATOM 299 CB ASP A 22 -1.952 -16.022 -0.969 1.00 0.00 C ATOM 300 CG ASP A 22 -3.292 -16.547 -0.497 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.328 -15.976 -0.886 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.318 -17.535 0.268 1.00 0.00 O ATOM 0 H ASP A 22 -2.362 -13.501 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.679 -14.889 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.004 -15.818 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.195 -16.794 -0.828 1.00 0.00 H new ATOM 306 N CYS A 23 0.711 -14.301 0.581 1.00 0.00 N ATOM 307 CA CYS A 23 2.137 -14.063 0.461 1.00 0.00 C ATOM 308 C CYS A 23 2.900 -15.299 0.913 1.00 0.00 C ATOM 309 O CYS A 23 2.627 -15.859 1.970 1.00 0.00 O ATOM 310 CB CYS A 23 2.554 -12.842 1.285 1.00 0.00 C ATOM 311 SG CYS A 23 2.966 -11.366 0.291 1.00 0.00 S ATOM 0 H CYS A 23 0.359 -14.303 1.538 1.00 0.00 H new ATOM 0 HA CYS A 23 2.375 -13.859 -0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.746 -12.589 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.418 -13.108 1.894 1.00 0.00 H new ATOM 315 N ILE A 24 3.866 -15.705 0.111 1.00 0.00 N ATOM 316 CA ILE A 24 4.654 -16.893 0.392 1.00 0.00 C ATOM 317 C ILE A 24 5.631 -16.659 1.540 1.00 0.00 C ATOM 318 O ILE A 24 6.248 -15.598 1.641 1.00 0.00 O ATOM 319 CB ILE A 24 5.424 -17.343 -0.869 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.442 -17.590 -2.021 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.242 -18.592 -0.590 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.098 -18.089 -3.291 1.00 0.00 C ATOM 0 H ILE A 24 4.127 -15.224 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 24 3.962 -17.681 0.690 1.00 0.00 H new ATOM 0 HB ILE A 24 6.113 -16.548 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.696 -18.317 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.911 -16.663 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.774 -18.888 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.961 -18.387 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.579 -19.399 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.338 -18.240 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.824 -17.354 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.605 -19.033 -3.092 1.00 0.00 H new ATOM 333 N ASN A 25 5.749 -17.650 2.415 1.00 0.00 N ATOM 334 CA ASN A 25 6.655 -17.557 3.550 1.00 0.00 C ATOM 335 C ASN A 25 7.914 -18.379 3.275 1.00 0.00 C ATOM 336 O ASN A 25 8.141 -18.789 2.136 1.00 0.00 O ATOM 337 CB ASN A 25 5.957 -18.008 4.845 1.00 0.00 C ATOM 338 CG ASN A 25 5.805 -19.509 4.977 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.639 -20.170 5.585 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.744 -20.054 4.410 1.00 0.00 N ATOM 0 H ASN A 25 5.229 -18.526 2.360 1.00 0.00 H new ATOM 0 HA ASN A 25 6.949 -16.516 3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.523 -17.635 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.970 -17.548 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.595 -21.061 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.074 -19.468 3.913 1.00 0.00 H new ATOM 346 N GLU A 26 8.723 -18.627 4.297 1.00 0.00 N ATOM 347 CA GLU A 26 9.961 -19.392 4.121 1.00 0.00 C ATOM 348 C GLU A 26 9.678 -20.827 3.670 1.00 0.00 C ATOM 349 O GLU A 26 10.491 -21.446 2.982 1.00 0.00 O ATOM 350 CB GLU A 26 10.776 -19.409 5.417 1.00 0.00 C ATOM 351 CG GLU A 26 10.073 -20.090 6.582 1.00 0.00 C ATOM 352 CD GLU A 26 10.967 -20.224 7.796 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.867 -21.089 7.779 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.775 -19.467 8.770 1.00 0.00 O ATOM 0 H GLU A 26 8.550 -18.314 5.252 1.00 0.00 H new ATOM 0 HA GLU A 26 10.538 -18.896 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.723 -19.915 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.013 -18.383 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.184 -19.519 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.736 -21.079 6.272 1.00 0.00 H new ATOM 359 N ASP A 27 8.514 -21.340 4.054 1.00 0.00 N ATOM 360 CA ASP A 27 8.106 -22.700 3.715 1.00 0.00 C ATOM 361 C ASP A 27 7.928 -22.875 2.214 1.00 0.00 C ATOM 362 O ASP A 27 8.085 -23.973 1.685 1.00 0.00 O ATOM 363 CB ASP A 27 6.797 -23.048 4.424 1.00 0.00 C ATOM 364 CG ASP A 27 6.430 -24.511 4.287 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.949 -25.329 5.076 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.621 -24.848 3.401 1.00 0.00 O ATOM 0 H ASP A 27 7.828 -20.827 4.608 1.00 0.00 H new ATOM 0 HA ASP A 27 8.898 -23.372 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.883 -22.797 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.993 -22.436 4.015 1.00 0.00 H new ATOM 370 N GLY A 28 7.613 -21.787 1.528 1.00 0.00 N ATOM 371 CA GLY A 28 7.404 -21.858 0.099 1.00 0.00 C ATOM 372 C GLY A 28 5.930 -21.882 -0.238 1.00 0.00 C ATOM 373 O GLY A 28 5.544 -21.883 -1.405 1.00 0.00 O ATOM 0 H GLY A 28 7.499 -20.859 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.876 -21.002 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.885 -22.752 -0.297 1.00 0.00 H new ATOM 377 N HIS A 29 5.107 -21.896 0.799 1.00 0.00 N ATOM 378 CA HIS A 29 3.662 -21.913 0.636 1.00 0.00 C ATOM 379 C HIS A 29 3.071 -20.543 0.933 1.00 0.00 C ATOM 380 O HIS A 29 3.548 -19.825 1.817 1.00 0.00 O ATOM 381 CB HIS A 29 3.029 -22.957 1.561 1.00 0.00 C ATOM 382 CG HIS A 29 3.058 -24.349 1.013 1.00 0.00 C ATOM 383 ND1 HIS A 29 1.918 -25.088 0.785 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.096 -25.140 0.655 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.253 -26.274 0.312 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.568 -26.329 0.223 1.00 0.00 N ATOM 0 H HIS A 29 5.419 -21.896 1.770 1.00 0.00 H new ATOM 0 HA HIS A 29 3.444 -22.175 -0.399 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.550 -22.943 2.519 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.994 -22.675 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.144 -24.883 0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.568 -27.064 0.044 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.106 -27.128 -0.113 1.00 0.00 H new ATOM 394 N PRO A 30 2.045 -20.153 0.166 1.00 0.00 N ATOM 395 CA PRO A 30 1.360 -18.874 0.349 1.00 0.00 C ATOM 396 C PRO A 30 0.586 -18.818 1.665 1.00 0.00 C ATOM 397 O PRO A 30 -0.140 -19.751 2.017 1.00 0.00 O ATOM 398 CB PRO A 30 0.398 -18.801 -0.838 1.00 0.00 C ATOM 399 CG PRO A 30 0.214 -20.209 -1.284 1.00 0.00 C ATOM 400 CD PRO A 30 1.495 -20.921 -0.965 1.00 0.00 C ATOM 0 HA PRO A 30 2.063 -18.042 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.552 -18.354 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.808 -18.185 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.628 -20.673 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.001 -20.254 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.319 -21.962 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.175 -20.924 -1.817 1.00 0.00 H new ATOM 405 N HIS A 31 0.748 -17.720 2.380 1.00 0.00 N ATOM 406 CA HIS A 31 0.086 -17.512 3.654 1.00 0.00 C ATOM 407 C HIS A 31 -0.877 -16.334 3.542 1.00 0.00 C ATOM 408 O HIS A 31 -0.559 -15.324 2.910 1.00 0.00 O ATOM 409 CB HIS A 31 1.137 -17.250 4.743 1.00 0.00 C ATOM 410 CG HIS A 31 0.582 -17.151 6.133 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.436 -18.241 6.962 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.148 -16.081 6.843 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.063 -17.847 8.120 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.244 -16.542 8.071 1.00 0.00 N ATOM 0 H HIS A 31 1.345 -16.945 2.092 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.481 -18.403 3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.876 -18.051 4.717 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.662 -16.324 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.117 -15.056 6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.285 -18.485 8.963 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.617 -15.968 8.827 1.00 0.00 H new ATOM 422 N ALA A 32 -2.051 -16.473 4.140 1.00 0.00 N ATOM 423 CA ALA A 32 -3.062 -15.427 4.102 1.00 0.00 C ATOM 424 C ALA A 32 -2.670 -14.248 4.979 1.00 0.00 C ATOM 425 O ALA A 32 -2.483 -14.391 6.189 1.00 0.00 O ATOM 426 CB ALA A 32 -4.408 -15.982 4.537 1.00 0.00 C ATOM 0 H ALA A 32 -2.328 -17.305 4.660 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.139 -15.070 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.156 -15.190 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.703 -16.788 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.331 -16.367 5.554 1.00 0.00 H new ATOM 432 N THR A 33 -2.541 -13.089 4.360 1.00 0.00 N ATOM 433 CA THR A 33 -2.174 -11.879 5.071 1.00 0.00 C ATOM 434 C THR A 33 -2.938 -10.688 4.504 1.00 0.00 C ATOM 435 O THR A 33 -3.340 -10.691 3.337 1.00 0.00 O ATOM 436 CB THR A 33 -0.651 -11.620 4.991 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.298 -10.446 5.736 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.205 -11.459 3.546 1.00 0.00 C ATOM 0 H THR A 33 -2.686 -12.960 3.359 1.00 0.00 H new ATOM 0 HA THR A 33 -2.438 -12.011 6.120 1.00 0.00 H new ATOM 0 HB THR A 33 -0.144 -12.483 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.060 -10.708 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.869 -11.278 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.436 -12.368 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.728 -10.616 3.095 1.00 0.00 H new ATOM 446 N SER A 34 -3.149 -9.683 5.333 1.00 0.00 N ATOM 447 CA SER A 34 -3.865 -8.494 4.920 1.00 0.00 C ATOM 448 C SER A 34 -3.192 -7.250 5.461 1.00 0.00 C ATOM 449 O SER A 34 -2.795 -7.204 6.624 1.00 0.00 O ATOM 450 CB SER A 34 -5.310 -8.564 5.386 1.00 0.00 C ATOM 451 OG SER A 34 -5.399 -9.044 6.717 1.00 0.00 O ATOM 0 H SER A 34 -2.832 -9.668 6.302 1.00 0.00 H new ATOM 0 HA SER A 34 -3.851 -8.442 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.763 -7.575 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.877 -9.217 4.723 1.00 0.00 H new ATOM 0 HG SER A 34 -6.339 -9.077 6.991 1.00 0.00 H new ATOM 456 N ILE A 35 -3.068 -6.246 4.619 1.00 0.00 N ATOM 457 CA ILE A 35 -2.429 -5.012 5.009 1.00 0.00 C ATOM 458 C ILE A 35 -3.405 -3.849 4.929 1.00 0.00 C ATOM 459 O ILE A 35 -4.258 -3.799 4.042 1.00 0.00 O ATOM 460 CB ILE A 35 -1.201 -4.687 4.122 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.374 -5.938 3.832 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.323 -3.639 4.788 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.801 -6.681 2.579 1.00 0.00 C ATOM 0 H ILE A 35 -3.404 -6.263 3.656 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.094 -5.149 6.037 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.577 -4.296 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.674 -5.654 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.444 -6.613 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.534 -3.424 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.899 -2.726 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.026 -4.015 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.167 -7.557 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.839 -6.997 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.704 -6.023 1.715 1.00 0.00 H new ATOM 474 N ASN A 36 -3.275 -2.917 5.854 1.00 0.00 N ATOM 475 CA ASN A 36 -4.138 -1.749 5.879 1.00 0.00 C ATOM 476 C ASN A 36 -3.371 -0.546 5.345 1.00 0.00 C ATOM 477 O ASN A 36 -2.769 0.214 6.102 1.00 0.00 O ATOM 478 CB ASN A 36 -4.638 -1.490 7.298 1.00 0.00 C ATOM 479 CG ASN A 36 -5.794 -0.513 7.351 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.001 0.158 8.349 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.553 -0.420 6.278 1.00 0.00 N ATOM 0 H ASN A 36 -2.579 -2.945 6.599 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.007 -1.924 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.947 -2.434 7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.816 -1.105 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.341 0.228 6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.353 -0.995 5.460 1.00 0.00 H new ATOM 487 N LEU A 37 -3.419 -0.382 4.028 1.00 0.00 N ATOM 488 CA LEU A 37 -2.715 0.692 3.322 1.00 0.00 C ATOM 489 C LEU A 37 -3.123 2.066 3.823 1.00 0.00 C ATOM 490 O LEU A 37 -2.422 3.049 3.591 1.00 0.00 O ATOM 491 CB LEU A 37 -3.009 0.645 1.814 1.00 0.00 C ATOM 492 CG LEU A 37 -2.754 -0.679 1.091 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.474 -1.344 1.579 1.00 0.00 C ATOM 494 CD2 LEU A 37 -3.948 -1.600 1.246 1.00 0.00 C ATOM 0 H LEU A 37 -3.952 -0.995 3.411 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.654 0.532 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.055 0.915 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.409 1.415 1.329 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.619 -0.467 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.324 -2.282 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.627 -0.682 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.553 -1.544 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.753 -2.538 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.119 -1.799 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.831 -1.125 0.819 1.00 0.00 H new ATOM 505 N ASN A 38 -4.259 2.126 4.501 1.00 0.00 N ATOM 506 CA ASN A 38 -4.790 3.379 5.013 1.00 0.00 C ATOM 507 C ASN A 38 -3.756 4.130 5.852 1.00 0.00 C ATOM 508 O ASN A 38 -3.731 5.358 5.850 1.00 0.00 O ATOM 509 CB ASN A 38 -6.044 3.110 5.852 1.00 0.00 C ATOM 510 CG ASN A 38 -7.004 4.290 5.913 1.00 0.00 C ATOM 511 OD1 ASN A 38 -8.201 4.113 6.120 1.00 0.00 O ATOM 512 ND2 ASN A 38 -6.504 5.492 5.717 1.00 0.00 N ATOM 0 H ASN A 38 -4.836 1.311 4.711 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.046 4.006 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.568 2.248 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.742 2.845 6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.116 6.308 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.505 5.607 5.547 1.00 0.00 H new ATOM 518 N TYR A 39 -2.891 3.395 6.541 1.00 0.00 N ATOM 519 CA TYR A 39 -1.876 4.021 7.385 1.00 0.00 C ATOM 520 C TYR A 39 -0.488 3.906 6.761 1.00 0.00 C ATOM 521 O TYR A 39 0.526 4.051 7.449 1.00 0.00 O ATOM 522 CB TYR A 39 -1.863 3.385 8.779 1.00 0.00 C ATOM 523 CG TYR A 39 -3.210 3.382 9.463 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.744 4.544 10.003 1.00 0.00 C ATOM 525 CD2 TYR A 39 -3.947 2.212 9.572 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.978 4.540 10.626 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.179 2.199 10.194 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.690 3.364 10.719 1.00 0.00 C ATOM 529 OH TYR A 39 -6.920 3.355 11.337 1.00 0.00 O ATOM 0 H TYR A 39 -2.870 2.375 6.534 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.132 5.077 7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.506 2.358 8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.150 3.921 9.405 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.186 5.466 9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.550 1.295 9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.382 5.453 11.037 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.739 1.279 10.268 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.290 2.448 11.317 1.00 0.00 H new ATOM 538 N TYR A 40 -0.439 3.639 5.460 1.00 0.00 N ATOM 539 CA TYR A 40 0.839 3.501 4.770 1.00 0.00 C ATOM 540 C TYR A 40 0.940 4.424 3.563 1.00 0.00 C ATOM 541 O TYR A 40 2.027 4.884 3.221 1.00 0.00 O ATOM 542 CB TYR A 40 1.079 2.044 4.365 1.00 0.00 C ATOM 543 CG TYR A 40 1.092 1.102 5.548 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.915 1.348 6.638 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.260 -0.008 5.593 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.917 0.511 7.734 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.255 -0.848 6.690 1.00 0.00 C ATOM 548 CZ TYR A 40 1.083 -0.582 7.758 1.00 0.00 C ATOM 549 OH TYR A 40 1.076 -1.414 8.855 1.00 0.00 O ATOM 0 H TYR A 40 -1.260 3.515 4.867 1.00 0.00 H new ATOM 0 HA TYR A 40 1.620 3.801 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.302 1.733 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.030 1.970 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.565 2.210 6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.393 -0.218 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.571 0.713 8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.396 -1.710 6.710 1.00 0.00 H new ATOM 0 HH TYR A 40 0.430 -2.137 8.713 1.00 0.00 H new ATOM 558 N ILE A 41 -0.188 4.716 2.942 1.00 0.00 N ATOM 559 CA ILE A 41 -0.214 5.587 1.775 1.00 0.00 C ATOM 560 C ILE A 41 -0.897 6.902 2.123 1.00 0.00 C ATOM 561 O ILE A 41 -1.855 6.923 2.900 1.00 0.00 O ATOM 562 CB ILE A 41 -0.940 4.928 0.585 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.059 3.870 -0.081 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.377 5.968 -0.435 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.062 2.540 0.632 1.00 0.00 C ATOM 0 H ILE A 41 -1.102 4.363 3.225 1.00 0.00 H new ATOM 0 HA ILE A 41 0.819 5.772 1.479 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.830 4.436 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.396 3.723 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.964 4.242 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.886 5.474 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.056 6.678 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.502 6.498 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.585 1.841 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.304 2.672 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.077 2.145 0.660 1.00 0.00 H new ATOM 576 N GLY A 42 -0.400 7.998 1.563 1.00 0.00 N ATOM 577 CA GLY A 42 -0.986 9.288 1.853 1.00 0.00 C ATOM 578 C GLY A 42 -1.586 9.965 0.646 1.00 0.00 C ATOM 579 O GLY A 42 -1.350 9.562 -0.495 1.00 0.00 O ATOM 0 H GLY A 42 0.391 8.015 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.759 9.164 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.222 9.937 2.280 1.00 0.00 H new ATOM 583 N ASN A 43 -2.358 11.002 0.916 1.00 0.00 N ATOM 584 CA ASN A 43 -3.026 11.771 -0.120 1.00 0.00 C ATOM 585 C ASN A 43 -2.400 13.151 -0.244 1.00 0.00 C ATOM 586 O ASN A 43 -2.531 13.987 0.654 1.00 0.00 O ATOM 587 CB ASN A 43 -4.522 11.897 0.202 1.00 0.00 C ATOM 588 CG ASN A 43 -5.239 12.945 -0.641 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.849 13.238 -1.768 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.310 13.503 -0.098 1.00 0.00 N ATOM 0 H ASN A 43 -2.540 11.336 1.862 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.910 11.251 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.001 10.930 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.639 12.148 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.841 14.201 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.604 13.235 0.841 1.00 0.00 H new ATOM 596 N ASP A 44 -1.705 13.375 -1.345 1.00 0.00 N ATOM 597 CA ASP A 44 -1.072 14.658 -1.601 1.00 0.00 C ATOM 598 C ASP A 44 -1.781 15.385 -2.740 1.00 0.00 C ATOM 599 O ASP A 44 -1.643 15.009 -3.903 1.00 0.00 O ATOM 600 CB ASP A 44 0.406 14.453 -1.947 1.00 0.00 C ATOM 601 CG ASP A 44 1.100 15.738 -2.364 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.461 16.540 -1.479 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.305 15.942 -3.578 1.00 0.00 O ATOM 0 H ASP A 44 -1.564 12.682 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.145 15.269 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.921 14.032 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.487 13.724 -2.753 1.00 0.00 H new ATOM 607 N ASN A 45 -2.563 16.407 -2.387 1.00 0.00 N ATOM 608 CA ASN A 45 -3.288 17.230 -3.360 1.00 0.00 C ATOM 609 C ASN A 45 -4.163 16.382 -4.285 1.00 0.00 C ATOM 610 O ASN A 45 -4.219 16.618 -5.493 1.00 0.00 O ATOM 611 CB ASN A 45 -2.285 18.048 -4.179 1.00 0.00 C ATOM 612 CG ASN A 45 -2.814 19.399 -4.612 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.622 20.013 -3.921 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.347 19.877 -5.757 1.00 0.00 N ATOM 0 H ASN A 45 -2.712 16.688 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.952 17.899 -2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.380 18.194 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.001 17.478 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.658 20.788 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.676 19.334 -6.301 1.00 0.00 H new ATOM 620 N GLY A 46 -4.835 15.383 -3.718 1.00 0.00 N ATOM 621 CA GLY A 46 -5.702 14.530 -4.510 1.00 0.00 C ATOM 622 C GLY A 46 -4.957 13.411 -5.209 1.00 0.00 C ATOM 623 O GLY A 46 -5.544 12.657 -5.981 1.00 0.00 O ATOM 0 H GLY A 46 -4.794 15.150 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.468 14.101 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.217 15.137 -5.255 1.00 0.00 H new ATOM 627 N ARG A 47 -3.666 13.298 -4.936 1.00 0.00 N ATOM 628 CA ARG A 47 -2.843 12.269 -5.552 1.00 0.00 C ATOM 629 C ARG A 47 -2.334 11.282 -4.516 1.00 0.00 C ATOM 630 O ARG A 47 -2.156 11.624 -3.349 1.00 0.00 O ATOM 631 CB ARG A 47 -1.662 12.903 -6.287 1.00 0.00 C ATOM 632 CG ARG A 47 -1.774 12.826 -7.798 1.00 0.00 C ATOM 633 CD ARG A 47 -3.079 13.424 -8.298 1.00 0.00 C ATOM 634 NE ARG A 47 -3.222 14.823 -7.897 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.564 15.801 -8.730 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.853 15.533 -9.998 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.636 17.048 -8.284 1.00 0.00 N ATOM 0 H ARG A 47 -3.165 13.908 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.463 11.728 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.579 13.949 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.742 12.409 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.935 13.353 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.706 11.785 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.120 13.351 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.917 12.846 -7.908 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.049 15.063 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.813 14.572 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.115 16.288 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.429 17.253 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.898 17.802 -8.919 1.00 0.00 H new ATOM 648 N LEU A 48 -2.102 10.059 -4.956 1.00 0.00 N ATOM 649 CA LEU A 48 -1.607 9.008 -4.085 1.00 0.00 C ATOM 650 C LEU A 48 -0.093 9.099 -3.979 1.00 0.00 C ATOM 651 O LEU A 48 0.605 9.174 -4.988 1.00 0.00 O ATOM 652 CB LEU A 48 -2.030 7.631 -4.618 1.00 0.00 C ATOM 653 CG LEU A 48 -3.428 7.159 -4.201 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.500 8.145 -4.636 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.712 5.784 -4.781 1.00 0.00 C ATOM 0 H LEU A 48 -2.250 9.767 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.037 9.136 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.983 7.653 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.302 6.892 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.451 7.100 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.479 7.780 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.311 9.115 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.480 8.249 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.708 5.460 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.661 5.830 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.971 5.074 -4.413 1.00 0.00 H new ATOM 666 N GLU A 49 0.399 9.127 -2.756 1.00 0.00 N ATOM 667 CA GLU A 49 1.827 9.216 -2.504 1.00 0.00 C ATOM 668 C GLU A 49 2.281 7.998 -1.707 1.00 0.00 C ATOM 669 O GLU A 49 1.562 7.565 -0.804 1.00 0.00 O ATOM 670 CB GLU A 49 2.124 10.512 -1.742 1.00 0.00 C ATOM 671 CG GLU A 49 3.603 10.786 -1.521 1.00 0.00 C ATOM 672 CD GLU A 49 4.316 11.153 -2.807 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.735 10.236 -3.539 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.448 12.363 -3.094 1.00 0.00 O ATOM 0 H GLU A 49 -0.174 9.089 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 49 2.374 9.232 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.690 11.349 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.626 10.472 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.717 11.596 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.073 9.904 -1.086 1.00 0.00 H new ATOM 679 N TYR A 50 3.450 7.441 -2.062 1.00 0.00 N ATOM 680 CA TYR A 50 3.994 6.258 -1.392 1.00 0.00 C ATOM 681 C TYR A 50 3.818 6.278 0.026 1.00 0.00 C ATOM 682 O TYR A 50 3.032 5.472 0.529 1.00 0.00 O ATOM 683 CB TYR A 50 5.453 5.922 -1.733 1.00 0.00 C ATOM 684 CG TYR A 50 6.212 6.901 -2.622 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.837 7.117 -3.939 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.324 7.589 -2.145 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.535 7.987 -4.751 1.00 0.00 C ATOM 688 CE2 TYR A 50 8.029 8.460 -2.953 1.00 0.00 C ATOM 689 CZ TYR A 50 7.628 8.656 -4.255 1.00 0.00 C ATOM 690 OH TYR A 50 8.332 9.515 -5.067 1.00 0.00 O ATOM 0 H TYR A 50 4.037 7.798 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 50 3.387 5.454 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.003 5.822 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.469 4.946 -2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.981 6.593 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.642 7.439 -1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.223 8.142 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.890 8.984 -2.565 1.00 0.00 H new ATOM 0 HH TYR A 50 9.075 9.908 -4.562 1.00 0.00 H new ATOM 699 N PRO A 51 4.455 7.098 0.764 1.00 0.00 N ATOM 700 CA PRO A 51 4.220 6.949 2.076 1.00 0.00 C ATOM 701 C PRO A 51 3.423 8.068 2.672 1.00 0.00 C ATOM 702 O PRO A 51 3.777 9.249 2.605 1.00 0.00 O ATOM 703 CB PRO A 51 5.601 6.858 2.565 1.00 0.00 C ATOM 704 CG PRO A 51 6.340 7.897 1.757 1.00 0.00 C ATOM 705 CD PRO A 51 5.505 8.076 0.502 1.00 0.00 C ATOM 0 HA PRO A 51 3.595 6.096 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.661 7.065 3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.015 5.862 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.434 8.833 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.350 7.566 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.116 9.089 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.064 7.856 -0.407 1.00 0.00 H new ATOM 710 N GLY A 52 2.364 7.675 3.276 1.00 0.00 N ATOM 711 CA GLY A 52 1.475 8.624 3.850 1.00 0.00 C ATOM 712 C GLY A 52 0.571 8.027 4.891 1.00 0.00 C ATOM 713 O GLY A 52 0.836 6.938 5.400 1.00 0.00 O ATOM 0 H GLY A 52 2.087 6.700 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.054 9.431 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.868 9.068 3.061 1.00 0.00 H new ATOM 717 N GLU A 53 -0.508 8.736 5.189 1.00 0.00 N ATOM 718 CA GLU A 53 -1.477 8.296 6.179 1.00 0.00 C ATOM 719 C GLU A 53 -2.854 8.871 5.875 1.00 0.00 C ATOM 720 O GLU A 53 -2.973 10.002 5.399 1.00 0.00 O ATOM 721 CB GLU A 53 -1.051 8.741 7.581 1.00 0.00 C ATOM 722 CG GLU A 53 0.161 8.007 8.127 1.00 0.00 C ATOM 723 CD GLU A 53 0.701 8.639 9.391 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.024 8.657 10.407 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.852 9.133 9.369 1.00 0.00 O ATOM 0 H GLU A 53 -0.735 9.629 4.752 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.523 7.208 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.836 9.809 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.887 8.597 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.107 6.970 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.944 7.992 7.369 1.00 0.00 H new ATOM 730 N SER A 54 -3.875 8.068 6.140 1.00 0.00 N ATOM 731 CA SER A 54 -5.271 8.456 5.960 1.00 0.00 C ATOM 732 C SER A 54 -5.604 8.827 4.506 1.00 0.00 C ATOM 733 O SER A 54 -6.269 9.831 4.250 1.00 0.00 O ATOM 734 CB SER A 54 -5.611 9.616 6.908 1.00 0.00 C ATOM 735 OG SER A 54 -7.012 9.808 7.021 1.00 0.00 O ATOM 0 H SER A 54 -3.758 7.117 6.490 1.00 0.00 H new ATOM 0 HA SER A 54 -5.886 7.589 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.191 9.416 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.146 10.532 6.543 1.00 0.00 H new ATOM 0 HG SER A 54 -7.192 10.552 7.632 1.00 0.00 H new ATOM 740 N PHE A 55 -5.152 8.023 3.546 1.00 0.00 N ATOM 741 CA PHE A 55 -5.458 8.307 2.144 1.00 0.00 C ATOM 742 C PHE A 55 -6.865 7.812 1.803 1.00 0.00 C ATOM 743 O PHE A 55 -7.609 8.475 1.086 1.00 0.00 O ATOM 744 CB PHE A 55 -4.438 7.658 1.192 1.00 0.00 C ATOM 745 CG PHE A 55 -4.717 6.212 0.883 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.356 5.213 1.772 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.359 5.857 -0.294 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.627 3.888 1.490 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.635 4.534 -0.578 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.268 3.550 0.316 1.00 0.00 C ATOM 0 H PHE A 55 -4.586 7.189 3.705 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.403 9.387 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.420 8.221 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.444 7.739 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.858 5.472 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.647 6.625 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.337 3.117 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.137 4.271 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.482 2.514 0.097 1.00 0.00 H new ATOM 759 N GLY A 56 -7.236 6.664 2.377 1.00 0.00 N ATOM 760 CA GLY A 56 -8.532 6.059 2.107 1.00 0.00 C ATOM 761 C GLY A 56 -9.672 6.888 2.637 1.00 0.00 C ATOM 762 O GLY A 56 -10.819 6.723 2.225 1.00 0.00 O ATOM 0 H GLY A 56 -6.654 6.140 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.651 5.926 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.568 5.067 2.556 1.00 0.00 H new ATOM 766 N SER A 57 -9.348 7.778 3.553 1.00 0.00 N ATOM 767 CA SER A 57 -10.325 8.658 4.157 1.00 0.00 C ATOM 768 C SER A 57 -10.841 9.679 3.143 1.00 0.00 C ATOM 769 O SER A 57 -11.958 10.185 3.268 1.00 0.00 O ATOM 770 CB SER A 57 -9.681 9.369 5.339 1.00 0.00 C ATOM 771 OG SER A 57 -9.197 8.437 6.293 1.00 0.00 O ATOM 0 H SER A 57 -8.398 7.911 3.899 1.00 0.00 H new ATOM 0 HA SER A 57 -11.176 8.068 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.860 9.994 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.408 10.031 5.809 1.00 0.00 H new ATOM 0 HG SER A 57 -8.292 8.692 6.569 1.00 0.00 H new ATOM 776 N SER A 58 -10.025 9.971 2.135 1.00 0.00 N ATOM 777 CA SER A 58 -10.389 10.936 1.109 1.00 0.00 C ATOM 778 C SER A 58 -10.319 10.317 -0.289 1.00 0.00 C ATOM 779 O SER A 58 -10.591 10.986 -1.288 1.00 0.00 O ATOM 780 CB SER A 58 -9.453 12.145 1.206 1.00 0.00 C ATOM 781 OG SER A 58 -8.098 11.731 1.312 1.00 0.00 O ATOM 0 H SER A 58 -9.104 9.550 2.009 1.00 0.00 H new ATOM 0 HA SER A 58 -11.419 11.252 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.576 12.777 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.722 12.749 2.073 1.00 0.00 H new ATOM 0 HG SER A 58 -7.813 11.325 0.467 1.00 0.00 H new ATOM 786 N CYS A 59 -9.964 9.042 -0.354 1.00 0.00 N ATOM 787 CA CYS A 59 -9.848 8.341 -1.628 1.00 0.00 C ATOM 788 C CYS A 59 -10.982 7.355 -1.814 1.00 0.00 C ATOM 789 O CYS A 59 -11.528 6.826 -0.847 1.00 0.00 O ATOM 790 CB CYS A 59 -8.531 7.566 -1.729 1.00 0.00 C ATOM 791 SG CYS A 59 -7.082 8.518 -2.296 1.00 0.00 S ATOM 0 H CYS A 59 -9.750 8.469 0.462 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.884 9.107 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.304 7.146 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.678 6.727 -2.409 1.00 0.00 H new ATOM 795 N VAL A 60 -11.318 7.113 -3.067 1.00 0.00 N ATOM 796 CA VAL A 60 -12.369 6.178 -3.432 1.00 0.00 C ATOM 797 C VAL A 60 -11.970 5.439 -4.701 1.00 0.00 C ATOM 798 O VAL A 60 -11.001 5.830 -5.361 1.00 0.00 O ATOM 799 CB VAL A 60 -13.723 6.884 -3.660 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.283 7.426 -2.354 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.579 7.999 -4.683 1.00 0.00 C ATOM 0 H VAL A 60 -10.868 7.561 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.492 5.480 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.426 6.147 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.237 7.918 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.432 6.605 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.582 8.144 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.544 8.485 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.855 8.731 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.235 7.582 -5.629 1.00 0.00 H new ATOM 811 N LYS A 61 -12.713 4.383 -5.037 1.00 0.00 N ATOM 812 CA LYS A 61 -12.439 3.579 -6.234 1.00 0.00 C ATOM 813 C LYS A 61 -11.087 2.884 -6.120 1.00 0.00 C ATOM 814 O LYS A 61 -10.366 2.737 -7.109 1.00 0.00 O ATOM 815 CB LYS A 61 -12.470 4.433 -7.513 1.00 0.00 C ATOM 816 CG LYS A 61 -13.868 4.771 -8.022 1.00 0.00 C ATOM 817 CD LYS A 61 -14.605 5.726 -7.099 1.00 0.00 C ATOM 818 CE LYS A 61 -15.958 6.112 -7.667 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.690 7.036 -6.768 1.00 0.00 N ATOM 0 H LYS A 61 -13.515 4.061 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.227 2.829 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.932 5.362 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.930 3.905 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.793 5.215 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.446 3.853 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.738 5.260 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.004 6.622 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.822 6.584 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.554 5.214 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.609 7.276 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.842 6.577 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.133 7.904 -6.634 1.00 0.00 H new ATOM 829 N THR A 62 -10.757 2.460 -4.911 1.00 0.00 N ATOM 830 CA THR A 62 -9.494 1.787 -4.650 1.00 0.00 C ATOM 831 C THR A 62 -9.389 0.452 -5.392 1.00 0.00 C ATOM 832 O THR A 62 -10.315 -0.364 -5.377 1.00 0.00 O ATOM 833 CB THR A 62 -9.303 1.563 -3.143 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.566 1.259 -2.538 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.696 2.791 -2.483 1.00 0.00 C ATOM 0 H THR A 62 -11.351 2.571 -4.089 1.00 0.00 H new ATOM 0 HA THR A 62 -8.703 2.438 -5.022 1.00 0.00 H new ATOM 0 HB THR A 62 -8.619 0.726 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.063 0.639 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.571 2.606 -1.416 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.725 3.002 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.356 3.646 -2.628 1.00 0.00 H new ATOM 843 N ALA A 63 -8.256 0.253 -6.052 1.00 0.00 N ATOM 844 CA ALA A 63 -7.989 -0.963 -6.807 1.00 0.00 C ATOM 845 C ALA A 63 -6.487 -1.207 -6.878 1.00 0.00 C ATOM 846 O ALA A 63 -5.696 -0.295 -6.637 1.00 0.00 O ATOM 847 CB ALA A 63 -8.584 -0.875 -8.205 1.00 0.00 C ATOM 0 H ALA A 63 -7.495 0.932 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.460 -1.802 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.371 -1.795 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.663 -0.737 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.145 -0.030 -8.735 1.00 0.00 H new ATOM 853 N LEU A 64 -6.099 -2.431 -7.202 1.00 0.00 N ATOM 854 CA LEU A 64 -4.690 -2.792 -7.290 1.00 0.00 C ATOM 855 C LEU A 64 -4.343 -3.348 -8.673 1.00 0.00 C ATOM 856 O LEU A 64 -4.796 -4.429 -9.049 1.00 0.00 O ATOM 857 CB LEU A 64 -4.358 -3.830 -6.211 1.00 0.00 C ATOM 858 CG LEU A 64 -3.400 -3.366 -5.110 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.999 -3.181 -5.657 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.886 -2.075 -4.481 1.00 0.00 C ATOM 0 H LEU A 64 -6.742 -3.195 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.095 -1.892 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.289 -4.151 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.926 -4.705 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.375 -4.140 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.337 -2.851 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.638 -4.127 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.013 -2.431 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.190 -1.765 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.946 -1.299 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.872 -2.232 -4.044 1.00 0.00 H new ATOM 871 N ASN A 65 -3.531 -2.605 -9.418 1.00 0.00 N ATOM 872 CA ASN A 65 -3.101 -3.022 -10.748 1.00 0.00 C ATOM 873 C ASN A 65 -1.933 -3.983 -10.645 1.00 0.00 C ATOM 874 O ASN A 65 -0.912 -3.669 -10.022 1.00 0.00 O ATOM 875 CB ASN A 65 -2.698 -1.814 -11.596 1.00 0.00 C ATOM 876 CG ASN A 65 -3.881 -1.110 -12.239 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.876 0.110 -12.393 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.888 -1.870 -12.647 1.00 0.00 N ATOM 0 H ASN A 65 -3.155 -1.705 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.940 -3.523 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.157 -1.104 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.010 -2.140 -12.376 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.694 -1.446 -13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.857 -2.879 -12.502 1.00 0.00 H new ATOM 884 N ASP A 66 -2.116 -5.168 -11.230 1.00 0.00 N ATOM 885 CA ASP A 66 -1.101 -6.225 -11.244 1.00 0.00 C ATOM 886 C ASP A 66 -0.690 -6.611 -9.819 1.00 0.00 C ATOM 887 O ASP A 66 0.344 -7.239 -9.595 1.00 0.00 O ATOM 888 CB ASP A 66 0.109 -5.779 -12.075 1.00 0.00 C ATOM 889 CG ASP A 66 1.071 -6.914 -12.388 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.717 -7.802 -13.191 1.00 0.00 O ATOM 891 OD2 ASP A 66 2.187 -6.923 -11.832 1.00 0.00 O ATOM 0 H ASP A 66 -2.978 -5.424 -11.711 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.527 -7.114 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.242 -5.340 -13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.643 -4.996 -11.536 1.00 0.00 H new ATOM 895 N GLY A 67 -1.527 -6.231 -8.862 1.00 0.00 N ATOM 896 CA GLY A 67 -1.268 -6.527 -7.469 1.00 0.00 C ATOM 897 C GLY A 67 -0.043 -5.819 -6.920 1.00 0.00 C ATOM 898 O GLY A 67 0.608 -6.330 -6.014 1.00 0.00 O ATOM 0 H GLY A 67 -2.391 -5.716 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.138 -6.243 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.140 -7.603 -7.352 1.00 0.00 H new ATOM 902 N HIS A 68 0.275 -4.641 -7.452 1.00 0.00 N ATOM 903 CA HIS A 68 1.432 -3.892 -6.965 1.00 0.00 C ATOM 904 C HIS A 68 1.163 -2.391 -6.965 1.00 0.00 C ATOM 905 O HIS A 68 1.689 -1.666 -6.132 1.00 0.00 O ATOM 906 CB HIS A 68 2.702 -4.209 -7.778 1.00 0.00 C ATOM 907 CG HIS A 68 2.795 -3.534 -9.117 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.656 -2.489 -9.369 1.00 0.00 N ATOM 909 CD2 HIS A 68 2.161 -3.780 -10.288 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.551 -2.128 -10.632 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.650 -2.894 -11.214 1.00 0.00 N ATOM 0 H HIS A 68 -0.242 -4.190 -8.207 1.00 0.00 H new ATOM 0 HA HIS A 68 1.604 -4.210 -5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.572 -3.925 -7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.757 -5.287 -7.929 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.279 -2.061 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.409 -4.535 -10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.110 -1.337 -11.110 1.00 0.00 H new ATOM 919 N THR A 69 0.333 -1.931 -7.886 1.00 0.00 N ATOM 920 CA THR A 69 0.022 -0.518 -7.982 1.00 0.00 C ATOM 921 C THR A 69 -1.371 -0.214 -7.454 1.00 0.00 C ATOM 922 O THR A 69 -2.355 -0.794 -7.895 1.00 0.00 O ATOM 923 CB THR A 69 0.124 -0.049 -9.439 1.00 0.00 C ATOM 924 OG1 THR A 69 1.486 -0.106 -9.877 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.425 1.359 -9.611 1.00 0.00 C ATOM 0 H THR A 69 -0.137 -2.516 -8.577 1.00 0.00 H new ATOM 0 HA THR A 69 0.747 0.017 -7.370 1.00 0.00 H new ATOM 0 HB THR A 69 -0.480 -0.718 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.543 0.193 -10.808 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.337 1.659 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.474 1.379 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.142 2.049 -8.986 1.00 0.00 H new ATOM 933 N LEU A 70 -1.443 0.703 -6.517 1.00 0.00 N ATOM 934 CA LEU A 70 -2.706 1.111 -5.944 1.00 0.00 C ATOM 935 C LEU A 70 -3.262 2.271 -6.737 1.00 0.00 C ATOM 936 O LEU A 70 -2.566 3.246 -7.000 1.00 0.00 O ATOM 937 CB LEU A 70 -2.532 1.500 -4.475 1.00 0.00 C ATOM 938 CG LEU A 70 -3.647 2.358 -3.871 1.00 0.00 C ATOM 939 CD1 LEU A 70 -4.982 1.630 -3.896 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.283 2.753 -2.453 1.00 0.00 C ATOM 0 H LEU A 70 -0.632 1.186 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.405 0.276 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.444 0.587 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.590 2.038 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.752 3.258 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.752 2.267 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.248 1.393 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.905 0.708 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.081 3.363 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.152 1.856 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.355 3.324 -2.461 1.00 0.00 H new ATOM 951 N THR A 71 -4.507 2.148 -7.135 1.00 0.00 N ATOM 952 CA THR A 71 -5.158 3.184 -7.900 1.00 0.00 C ATOM 953 C THR A 71 -6.412 3.656 -7.190 1.00 0.00 C ATOM 954 O THR A 71 -7.243 2.844 -6.777 1.00 0.00 O ATOM 955 CB THR A 71 -5.522 2.670 -9.302 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.073 1.317 -9.451 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.885 3.533 -10.371 1.00 0.00 C ATOM 0 H THR A 71 -5.092 1.335 -6.940 1.00 0.00 H new ATOM 0 HA THR A 71 -4.466 4.021 -7.997 1.00 0.00 H new ATOM 0 HB THR A 71 -6.605 2.714 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.308 0.991 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.156 3.152 -11.356 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.239 4.559 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.801 3.511 -10.259 1.00 0.00 H new ATOM 965 N ALA A 72 -6.528 4.964 -7.025 1.00 0.00 N ATOM 966 CA ALA A 72 -7.685 5.556 -6.378 1.00 0.00 C ATOM 967 C ALA A 72 -7.776 7.035 -6.713 1.00 0.00 C ATOM 968 O ALA A 72 -6.852 7.607 -7.288 1.00 0.00 O ATOM 969 CB ALA A 72 -7.622 5.354 -4.871 1.00 0.00 C ATOM 0 H ALA A 72 -5.828 5.639 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.580 5.058 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.499 5.805 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.602 4.287 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.721 5.824 -4.478 1.00 0.00 H new ATOM 975 N SER A 73 -8.890 7.642 -6.371 1.00 0.00 N ATOM 976 CA SER A 73 -9.093 9.052 -6.635 1.00 0.00 C ATOM 977 C SER A 73 -9.306 9.793 -5.322 1.00 0.00 C ATOM 978 O SER A 73 -10.227 9.474 -4.563 1.00 0.00 O ATOM 979 CB SER A 73 -10.297 9.229 -7.560 1.00 0.00 C ATOM 980 OG SER A 73 -10.393 10.557 -8.028 1.00 0.00 O ATOM 0 H SER A 73 -9.673 7.181 -5.908 1.00 0.00 H new ATOM 0 HA SER A 73 -8.213 9.467 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.211 8.548 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.210 8.962 -7.028 1.00 0.00 H new ATOM 0 HG SER A 73 -11.185 10.984 -7.639 1.00 0.00 H new ATOM 985 N CYS A 74 -8.448 10.764 -5.045 1.00 0.00 N ATOM 986 CA CYS A 74 -8.544 11.537 -3.814 1.00 0.00 C ATOM 987 C CYS A 74 -8.849 12.999 -4.087 1.00 0.00 C ATOM 988 O CYS A 74 -8.579 13.525 -5.168 1.00 0.00 O ATOM 989 CB CYS A 74 -7.252 11.457 -3.008 1.00 0.00 C ATOM 990 SG CYS A 74 -7.347 10.376 -1.546 1.00 0.00 S ATOM 0 H CYS A 74 -7.677 11.036 -5.655 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.363 11.100 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.453 11.100 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.976 12.461 -2.686 1.00 0.00 H new ATOM 994 N LYS A 75 -9.429 13.636 -3.089 1.00 0.00 N ATOM 995 CA LYS A 75 -9.763 15.047 -3.149 1.00 0.00 C ATOM 996 C LYS A 75 -8.712 15.850 -2.382 1.00 0.00 C ATOM 997 O LYS A 75 -8.141 15.352 -1.411 1.00 0.00 O ATOM 998 CB LYS A 75 -11.172 15.276 -2.570 1.00 0.00 C ATOM 999 CG LYS A 75 -11.537 16.738 -2.347 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.116 17.212 -0.961 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.087 18.723 -0.874 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.748 19.201 0.494 1.00 0.00 N ATOM 0 H LYS A 75 -9.683 13.188 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.766 15.384 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.904 14.831 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.251 14.747 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.055 17.355 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.613 16.868 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.806 16.817 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.129 16.814 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.357 19.112 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.059 19.121 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.740 20.241 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.458 18.852 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.809 18.844 0.764 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.443 17.079 -2.816 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.480 17.901 -2.110 1.00 0.00 C ATOM 1014 C GLY A 76 -6.880 18.994 -2.966 1.00 0.00 C ATOM 1015 O GLY A 76 -6.549 20.069 -2.470 1.00 0.00 O ATOM 0 H GLY A 76 -8.870 17.514 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.965 18.353 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.679 17.265 -1.732 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.733 18.707 -4.250 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.166 19.654 -5.200 1.00 0.00 C ATOM 1021 C ALA A 77 -6.907 20.988 -5.194 1.00 0.00 C ATOM 1022 O ALA A 77 -6.281 22.049 -5.204 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.158 19.045 -6.591 1.00 0.00 C ATOM 0 H ALA A 77 -7.002 17.814 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.141 19.863 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.733 19.758 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.557 18.136 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.179 18.804 -6.888 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.233 20.934 -5.161 1.00 0.00 N ATOM 1030 CA ASP A 78 -9.049 22.151 -5.155 1.00 0.00 C ATOM 1031 C ASP A 78 -10.519 21.811 -4.954 1.00 0.00 C ATOM 1032 O ASP A 78 -11.367 22.127 -5.785 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.867 22.939 -6.458 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.490 24.321 -6.395 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -9.043 25.136 -5.561 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.411 24.603 -7.191 1.00 0.00 O ATOM 0 H ASP A 78 -8.768 20.066 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.715 22.773 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.803 23.034 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.312 22.381 -7.281 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.807 21.118 -3.862 1.00 0.00 N ATOM 1041 CA GLY A 79 -12.178 20.743 -3.550 1.00 0.00 C ATOM 1042 C GLY A 79 -12.715 19.663 -4.469 1.00 0.00 C ATOM 1043 O GLY A 79 -13.855 19.220 -4.327 1.00 0.00 O ATOM 0 H GLY A 79 -10.115 20.806 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.229 20.394 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.816 21.624 -3.620 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.890 19.243 -5.411 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.266 18.218 -6.364 1.00 0.00 C ATOM 1049 C GLN A 80 -11.341 17.020 -6.229 1.00 0.00 C ATOM 1050 O GLN A 80 -10.301 17.100 -5.563 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.193 18.763 -7.789 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.791 19.188 -8.202 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.657 19.381 -9.699 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.336 18.718 -10.485 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.772 20.275 -10.111 1.00 0.00 N ATOM 0 H GLN A 80 -10.944 19.602 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.290 17.910 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.552 18.001 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.865 19.617 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.533 20.118 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.075 18.436 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.228 20.805 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.634 20.434 -11.109 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.711 15.923 -6.870 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.918 14.709 -6.824 1.00 0.00 C ATOM 1064 C TYR A 81 -10.280 14.447 -8.185 1.00 0.00 C ATOM 1065 O TYR A 81 -10.720 14.994 -9.197 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.785 13.515 -6.391 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.895 13.155 -7.361 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.638 12.342 -8.454 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.192 13.620 -7.182 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.632 11.997 -9.340 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.199 13.279 -8.069 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.910 12.467 -9.149 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.905 12.111 -10.034 1.00 0.00 O ATOM 0 H TYR A 81 -12.560 15.850 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.124 14.837 -6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.142 12.645 -6.257 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.227 13.737 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.636 11.972 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.418 14.256 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.409 11.359 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.204 13.645 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.750 12.524 -9.759 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.250 13.618 -8.201 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.547 13.272 -9.431 1.00 0.00 C ATOM 1084 C HIS A 82 -7.915 11.894 -9.296 1.00 0.00 C ATOM 1085 O HIS A 82 -7.324 11.573 -8.266 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.475 14.315 -9.780 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.963 15.398 -10.697 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.437 16.674 -10.714 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -8.926 15.383 -11.652 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -8.058 17.391 -11.634 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -8.965 16.633 -12.217 1.00 0.00 N ATOM 0 H HIS A 82 -8.876 13.166 -7.367 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.274 13.259 -10.243 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.109 14.769 -8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.628 13.811 -10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.548 14.541 -11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.856 18.426 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.593 16.927 -12.965 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.069 11.080 -10.333 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.526 9.724 -10.346 1.00 0.00 C ATOM 1101 C ASP A 83 -6.008 9.744 -10.233 1.00 0.00 C ATOM 1102 O ASP A 83 -5.332 10.518 -10.918 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.936 8.987 -11.621 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.435 8.813 -11.739 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -9.969 7.829 -11.191 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.088 9.662 -12.386 1.00 0.00 O ATOM 0 H ASP A 83 -8.570 11.337 -11.184 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.936 9.197 -9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.569 9.537 -12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.458 8.008 -11.639 1.00 0.00 H new ATOM 1110 N SER A 84 -5.481 8.887 -9.375 1.00 0.00 N ATOM 1111 CA SER A 84 -4.051 8.797 -9.151 1.00 0.00 C ATOM 1112 C SER A 84 -3.663 7.359 -8.816 1.00 0.00 C ATOM 1113 O SER A 84 -4.503 6.567 -8.382 1.00 0.00 O ATOM 1114 CB SER A 84 -3.658 9.741 -8.008 1.00 0.00 C ATOM 1115 OG SER A 84 -2.276 9.657 -7.701 1.00 0.00 O ATOM 0 H SER A 84 -6.032 8.236 -8.816 1.00 0.00 H new ATOM 0 HA SER A 84 -3.520 9.092 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.907 10.766 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.242 9.498 -7.120 1.00 0.00 H new ATOM 0 HG SER A 84 -1.761 9.579 -8.531 1.00 0.00 H new ATOM 1120 N SER A 85 -2.399 7.020 -9.029 1.00 0.00 N ATOM 1121 CA SER A 85 -1.917 5.681 -8.733 1.00 0.00 C ATOM 1122 C SER A 85 -0.626 5.749 -7.931 1.00 0.00 C ATOM 1123 O SER A 85 0.046 6.783 -7.900 1.00 0.00 O ATOM 1124 CB SER A 85 -1.673 4.887 -10.015 1.00 0.00 C ATOM 1125 OG SER A 85 -2.297 5.499 -11.132 1.00 0.00 O ATOM 0 H SER A 85 -1.692 7.652 -9.404 1.00 0.00 H new ATOM 0 HA SER A 85 -2.685 5.175 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.601 4.805 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.054 3.873 -9.894 1.00 0.00 H new ATOM 0 HG SER A 85 -2.121 4.968 -11.937 1.00 0.00 H new ATOM 1130 N MET A 86 -0.285 4.645 -7.293 1.00 0.00 N ATOM 1131 CA MET A 86 0.915 4.563 -6.484 1.00 0.00 C ATOM 1132 C MET A 86 1.457 3.143 -6.476 1.00 0.00 C ATOM 1133 O MET A 86 0.724 2.201 -6.191 1.00 0.00 O ATOM 1134 CB MET A 86 0.599 5.018 -5.059 1.00 0.00 C ATOM 1135 CG MET A 86 1.757 4.860 -4.091 1.00 0.00 C ATOM 1136 SD MET A 86 3.313 5.436 -4.798 1.00 0.00 S ATOM 1137 CE MET A 86 2.855 7.072 -5.372 1.00 0.00 C ATOM 0 H MET A 86 -0.830 3.783 -7.321 1.00 0.00 H new ATOM 0 HA MET A 86 1.677 5.215 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.297 6.065 -5.081 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.253 4.449 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.545 5.417 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.853 3.812 -3.809 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.736 7.714 -5.383 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.445 7.002 -6.379 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.106 7.496 -4.703 1.00 0.00 H new ATOM 1145 N ASP A 87 2.732 2.982 -6.795 1.00 0.00 N ATOM 1146 CA ASP A 87 3.328 1.655 -6.801 1.00 0.00 C ATOM 1147 C ASP A 87 3.691 1.264 -5.380 1.00 0.00 C ATOM 1148 O ASP A 87 4.600 1.829 -4.774 1.00 0.00 O ATOM 1149 CB ASP A 87 4.567 1.582 -7.689 1.00 0.00 C ATOM 1150 CG ASP A 87 4.902 0.156 -8.087 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.440 -0.786 -7.413 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.608 -0.031 -9.101 1.00 0.00 O ATOM 0 H ASP A 87 3.365 3.740 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 87 2.594 0.961 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.405 2.180 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.415 2.020 -7.163 1.00 0.00 H new ATOM 1156 N LEU A 88 2.974 0.292 -4.864 1.00 0.00 N ATOM 1157 CA LEU A 88 3.174 -0.187 -3.509 1.00 0.00 C ATOM 1158 C LEU A 88 4.338 -1.157 -3.457 1.00 0.00 C ATOM 1159 O LEU A 88 4.758 -1.583 -2.382 1.00 0.00 O ATOM 1160 CB LEU A 88 1.910 -0.867 -2.998 1.00 0.00 C ATOM 1161 CG LEU A 88 0.598 -0.178 -3.369 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.577 -0.934 -2.769 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.609 1.270 -2.892 1.00 0.00 C ATOM 0 H LEU A 88 2.233 -0.192 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 88 3.400 0.668 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.886 -1.887 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.969 -0.937 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 88 0.491 -0.180 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.507 -0.435 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.588 -1.954 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.479 -0.956 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.332 1.749 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.731 1.295 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.436 1.802 -3.363 1.00 0.00 H new ATOM 1174 N ASN A 89 4.834 -1.531 -4.629 1.00 0.00 N ATOM 1175 CA ASN A 89 5.967 -2.448 -4.738 1.00 0.00 C ATOM 1176 C ASN A 89 7.146 -1.962 -3.891 1.00 0.00 C ATOM 1177 O ASN A 89 7.949 -2.761 -3.417 1.00 0.00 O ATOM 1178 CB ASN A 89 6.369 -2.594 -6.212 1.00 0.00 C ATOM 1179 CG ASN A 89 7.600 -3.447 -6.434 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.714 -2.936 -6.502 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.403 -4.750 -6.573 1.00 0.00 N ATOM 0 H ASN A 89 4.468 -1.212 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 89 5.672 -3.425 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.535 -3.028 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.547 -1.603 -6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.195 -5.370 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.460 -5.133 -6.509 1.00 0.00 H new ATOM 1187 N TYR A 90 7.217 -0.657 -3.657 1.00 0.00 N ATOM 1188 CA TYR A 90 8.289 -0.098 -2.854 1.00 0.00 C ATOM 1189 C TYR A 90 7.743 0.550 -1.582 1.00 0.00 C ATOM 1190 O TYR A 90 8.417 1.367 -0.951 1.00 0.00 O ATOM 1191 CB TYR A 90 9.136 0.894 -3.669 1.00 0.00 C ATOM 1192 CG TYR A 90 8.352 1.943 -4.436 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.936 3.120 -3.827 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.049 1.762 -5.781 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.242 4.083 -4.535 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.354 2.719 -6.492 1.00 0.00 C ATOM 1197 CZ TYR A 90 6.951 3.877 -5.867 1.00 0.00 C ATOM 1198 OH TYR A 90 6.262 4.833 -6.580 1.00 0.00 O ATOM 0 H TYR A 90 6.548 0.027 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 90 8.942 -0.917 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.823 1.401 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.744 0.330 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.158 3.285 -2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.363 0.856 -6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.929 4.994 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.127 2.560 -7.536 1.00 0.00 H new ATOM 0 HH TYR A 90 5.421 5.040 -6.122 1.00 0.00 H new ATOM 1207 N VAL A 91 6.515 0.180 -1.206 1.00 0.00 N ATOM 1208 CA VAL A 91 5.897 0.723 0.004 1.00 0.00 C ATOM 1209 C VAL A 91 5.345 -0.400 0.900 1.00 0.00 C ATOM 1210 O VAL A 91 5.004 -0.170 2.061 1.00 0.00 O ATOM 1211 CB VAL A 91 4.798 1.781 -0.311 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.177 2.621 -1.503 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.425 1.190 -0.523 1.00 0.00 C ATOM 0 H VAL A 91 5.936 -0.486 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 91 6.684 1.240 0.552 1.00 0.00 H new ATOM 0 HB VAL A 91 4.740 2.407 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.391 3.350 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.112 3.142 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.302 1.979 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.714 1.988 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.454 0.495 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.114 0.660 0.377 1.00 0.00 H new ATOM 1223 N VAL A 92 5.270 -1.619 0.357 1.00 0.00 N ATOM 1224 CA VAL A 92 4.795 -2.784 1.114 1.00 0.00 C ATOM 1225 C VAL A 92 5.768 -3.945 0.938 1.00 0.00 C ATOM 1226 O VAL A 92 6.376 -4.091 -0.125 1.00 0.00 O ATOM 1227 CB VAL A 92 3.405 -3.286 0.658 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.755 -4.141 1.737 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.494 -2.148 0.262 1.00 0.00 C ATOM 0 H VAL A 92 5.533 -1.826 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 92 4.725 -2.456 2.151 1.00 0.00 H new ATOM 0 HB VAL A 92 3.562 -3.902 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.779 -4.482 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.387 -5.004 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.633 -3.550 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.529 -2.547 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.353 -1.482 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.942 -1.593 -0.562 1.00 0.00 H new ATOM 1239 N GLY A 93 5.912 -4.770 1.970 1.00 0.00 N ATOM 1240 CA GLY A 93 6.798 -5.913 1.887 1.00 0.00 C ATOM 1241 C GLY A 93 6.213 -7.158 2.515 1.00 0.00 C ATOM 1242 O GLY A 93 5.155 -7.109 3.148 1.00 0.00 O ATOM 0 H GLY A 93 5.430 -4.666 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.027 -6.113 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.740 -5.672 2.379 1.00 0.00 H new ATOM 1246 N ASN A 94 6.912 -8.268 2.341 1.00 0.00 N ATOM 1247 CA ASN A 94 6.484 -9.549 2.878 1.00 0.00 C ATOM 1248 C ASN A 94 7.623 -10.216 3.631 1.00 0.00 C ATOM 1249 O ASN A 94 8.699 -10.443 3.074 1.00 0.00 O ATOM 1250 CB ASN A 94 6.018 -10.474 1.755 1.00 0.00 C ATOM 1251 CG ASN A 94 5.772 -11.894 2.237 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.303 -12.120 3.352 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.115 -12.863 1.404 1.00 0.00 N ATOM 0 H ASN A 94 7.791 -8.306 1.824 1.00 0.00 H new ATOM 0 HA ASN A 94 5.655 -9.366 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.101 -10.078 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.768 -10.487 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.994 -13.838 1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.501 -12.635 0.488 1.00 0.00 H new ATOM 1259 N SER A 95 7.383 -10.535 4.886 1.00 0.00 N ATOM 1260 CA SER A 95 8.378 -11.187 5.705 1.00 0.00 C ATOM 1261 C SER A 95 7.819 -12.471 6.286 1.00 0.00 C ATOM 1262 O SER A 95 7.094 -12.443 7.279 1.00 0.00 O ATOM 1263 CB SER A 95 8.829 -10.270 6.832 1.00 0.00 C ATOM 1264 OG SER A 95 9.508 -9.128 6.332 1.00 0.00 O ATOM 0 H SER A 95 6.500 -10.351 5.362 1.00 0.00 H new ATOM 0 HA SER A 95 9.237 -11.421 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.963 -9.954 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.485 -10.818 7.508 1.00 0.00 H new ATOM 0 HG SER A 95 9.784 -8.558 7.080 1.00 0.00 H new ATOM 1269 N TYR A 96 8.146 -13.588 5.650 1.00 0.00 N ATOM 1270 CA TYR A 96 7.695 -14.895 6.112 1.00 0.00 C ATOM 1271 C TYR A 96 6.176 -15.004 6.071 1.00 0.00 C ATOM 1272 O TYR A 96 5.548 -15.446 7.033 1.00 0.00 O ATOM 1273 CB TYR A 96 8.213 -15.155 7.528 1.00 0.00 C ATOM 1274 CG TYR A 96 9.721 -15.249 7.594 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.375 -16.426 7.258 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.491 -14.152 7.962 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.753 -16.511 7.296 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.869 -14.228 7.997 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.495 -15.409 7.662 1.00 0.00 C ATOM 1280 OH TYR A 96 13.867 -15.489 7.688 1.00 0.00 O ATOM 0 H TYR A 96 8.724 -13.615 4.810 1.00 0.00 H new ATOM 0 HA TYR A 96 8.099 -15.652 5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.875 -14.355 8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.779 -16.082 7.904 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.797 -17.289 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.003 -13.225 8.225 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.247 -17.437 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.453 -13.367 8.285 1.00 0.00 H new ATOM 0 HH TYR A 96 14.240 -14.626 7.966 1.00 0.00 H new ATOM 1289 N GLY A 97 5.597 -14.614 4.940 1.00 0.00 N ATOM 1290 CA GLY A 97 4.157 -14.668 4.780 1.00 0.00 C ATOM 1291 C GLY A 97 3.441 -13.742 5.738 1.00 0.00 C ATOM 1292 O GLY A 97 2.258 -13.922 6.021 1.00 0.00 O ATOM 0 H GLY A 97 6.103 -14.260 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.897 -14.401 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.813 -15.690 4.940 1.00 0.00 H new ATOM 1296 N TYR A 98 4.157 -12.742 6.231 1.00 0.00 N ATOM 1297 CA TYR A 98 3.599 -11.796 7.173 1.00 0.00 C ATOM 1298 C TYR A 98 3.699 -10.377 6.623 1.00 0.00 C ATOM 1299 O TYR A 98 4.708 -10.008 6.017 1.00 0.00 O ATOM 1300 CB TYR A 98 4.344 -11.903 8.506 1.00 0.00 C ATOM 1301 CG TYR A 98 3.732 -11.080 9.619 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.369 -11.137 9.885 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.518 -10.242 10.398 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.809 -10.383 10.898 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.965 -9.484 11.412 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.611 -9.560 11.659 1.00 0.00 C ATOM 1307 OH TYR A 98 2.058 -8.806 12.667 1.00 0.00 O ATOM 0 H TYR A 98 5.133 -12.568 5.989 1.00 0.00 H new ATOM 0 HA TYR A 98 2.546 -12.028 7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.371 -12.949 8.813 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.377 -11.587 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.738 -11.781 9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.579 -10.182 10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.748 -10.438 11.093 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.590 -8.835 12.008 1.00 0.00 H new ATOM 0 HH TYR A 98 2.760 -8.282 13.107 1.00 0.00 H new ATOM 1316 N MET A 99 2.637 -9.600 6.832 1.00 0.00 N ATOM 1317 CA MET A 99 2.574 -8.213 6.372 1.00 0.00 C ATOM 1318 C MET A 99 3.697 -7.370 6.973 1.00 0.00 C ATOM 1319 O MET A 99 3.774 -7.198 8.189 1.00 0.00 O ATOM 1320 CB MET A 99 1.216 -7.592 6.738 1.00 0.00 C ATOM 1321 CG MET A 99 0.911 -7.620 8.232 1.00 0.00 C ATOM 1322 SD MET A 99 -0.574 -6.697 8.672 1.00 0.00 S ATOM 1323 CE MET A 99 -0.559 -6.871 10.456 1.00 0.00 C ATOM 0 H MET A 99 1.799 -9.912 7.323 1.00 0.00 H new ATOM 0 HA MET A 99 2.694 -8.222 5.289 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.194 -6.559 6.391 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.428 -8.124 6.205 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.796 -8.655 8.553 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.761 -7.210 8.777 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.419 -6.352 10.879 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.607 -7.928 10.719 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.358 -6.439 10.856 1.00 0.00 H new ATOM 1331 N GLU A 100 4.567 -6.852 6.119 1.00 0.00 N ATOM 1332 CA GLU A 100 5.673 -6.012 6.559 1.00 0.00 C ATOM 1333 C GLU A 100 5.924 -4.887 5.561 1.00 0.00 C ATOM 1334 O GLU A 100 6.920 -4.891 4.836 1.00 0.00 O ATOM 1335 CB GLU A 100 6.935 -6.851 6.753 1.00 0.00 C ATOM 1336 CG GLU A 100 6.972 -7.583 8.081 1.00 0.00 C ATOM 1337 CD GLU A 100 7.345 -6.683 9.238 1.00 0.00 C ATOM 1338 OE1 GLU A 100 6.569 -5.759 9.565 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.432 -6.889 9.818 1.00 0.00 O ATOM 0 H GLU A 100 4.528 -7.000 5.110 1.00 0.00 H new ATOM 0 HA GLU A 100 5.406 -5.564 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.008 -7.578 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.808 -6.203 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.995 -8.027 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.688 -8.402 8.019 1.00 0.00 H new ATOM 1344 N PRO A 101 5.015 -3.903 5.518 1.00 0.00 N ATOM 1345 CA PRO A 101 5.118 -2.764 4.603 1.00 0.00 C ATOM 1346 C PRO A 101 6.261 -1.825 4.958 1.00 0.00 C ATOM 1347 O PRO A 101 6.256 -1.195 6.014 1.00 0.00 O ATOM 1348 CB PRO A 101 3.770 -2.060 4.759 1.00 0.00 C ATOM 1349 CG PRO A 101 3.295 -2.439 6.118 1.00 0.00 C ATOM 1350 CD PRO A 101 3.821 -3.818 6.377 1.00 0.00 C ATOM 0 HA PRO A 101 5.331 -3.083 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.875 -0.979 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.066 -2.380 3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.660 -1.737 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.206 -2.422 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.073 -3.960 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.087 -4.582 6.119 1.00 0.00 H new ATOM 1355 N CYS A 102 7.250 -1.750 4.084 1.00 0.00 N ATOM 1356 CA CYS A 102 8.376 -0.872 4.312 1.00 0.00 C ATOM 1357 C CYS A 102 8.449 0.166 3.204 1.00 0.00 C ATOM 1358 O CYS A 102 8.238 -0.155 2.032 1.00 0.00 O ATOM 1359 CB CYS A 102 9.691 -1.659 4.384 1.00 0.00 C ATOM 1360 SG CYS A 102 10.345 -2.188 2.764 1.00 0.00 S ATOM 0 H CYS A 102 7.293 -2.284 3.216 1.00 0.00 H new ATOM 0 HA CYS A 102 8.232 -0.373 5.270 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.441 -1.044 4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.538 -2.541 5.006 1.00 0.00 H new ATOM 1364 N ARG A 103 8.720 1.406 3.565 1.00 0.00 N ATOM 1365 CA ARG A 103 8.826 2.460 2.575 1.00 0.00 C ATOM 1366 C ARG A 103 10.285 2.856 2.439 1.00 0.00 C ATOM 1367 O ARG A 103 11.031 2.847 3.418 1.00 0.00 O ATOM 1368 CB ARG A 103 7.970 3.683 2.943 1.00 0.00 C ATOM 1369 CG ARG A 103 8.659 4.675 3.872 1.00 0.00 C ATOM 1370 CD ARG A 103 8.721 4.180 5.306 1.00 0.00 C ATOM 1371 NE ARG A 103 7.392 4.113 5.924 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.163 4.272 7.233 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.172 4.468 8.075 1.00 0.00 N ATOM 1374 NH2 ARG A 103 5.918 4.236 7.701 1.00 0.00 N ATOM 0 H ARG A 103 8.870 1.706 4.528 1.00 0.00 H new ATOM 0 HA ARG A 103 8.448 2.084 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.683 4.200 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.050 3.339 3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.670 4.863 3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.127 5.626 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.181 3.192 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.359 4.842 5.891 1.00 0.00 H new ATOM 0 HE ARG A 103 6.592 3.934 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.130 4.498 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.989 4.588 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.137 4.087 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.745 4.357 8.699 1.00 0.00 H new ATOM 1385 N ALA A 104 10.699 3.205 1.240 1.00 0.00 N ATOM 1386 CA ALA A 104 12.082 3.586 1.016 1.00 0.00 C ATOM 1387 C ALA A 104 12.263 5.091 1.077 1.00 0.00 C ATOM 1388 O ALA A 104 13.273 5.631 0.624 1.00 0.00 O ATOM 1389 CB ALA A 104 12.563 3.058 -0.321 1.00 0.00 C ATOM 0 H ALA A 104 10.106 3.234 0.410 1.00 0.00 H new ATOM 0 HA ALA A 104 12.680 3.144 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.601 3.351 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.488 1.971 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.946 3.472 -1.119 1.00 0.00 H new ATOM 1395 N SER A 105 11.284 5.763 1.642 1.00 0.00 N ATOM 1396 CA SER A 105 11.313 7.192 1.761 1.00 0.00 C ATOM 1397 C SER A 105 10.670 7.599 3.087 1.00 0.00 C ATOM 1398 O SER A 105 10.874 6.937 4.104 1.00 0.00 O ATOM 1399 CB SER A 105 10.577 7.796 0.563 1.00 0.00 C ATOM 1400 OG SER A 105 11.167 7.383 -0.656 1.00 0.00 O ATOM 0 H SER A 105 10.447 5.327 2.030 1.00 0.00 H new ATOM 0 HA SER A 105 12.337 7.565 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.530 7.494 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.596 8.884 0.630 1.00 0.00 H new ATOM 0 HG SER A 105 10.679 7.780 -1.407 1.00 0.00 H new ATOM 1405 N ASN A 106 9.885 8.667 3.054 1.00 0.00 N ATOM 1406 CA ASN A 106 9.198 9.202 4.242 1.00 0.00 C ATOM 1407 C ASN A 106 10.212 9.604 5.323 1.00 0.00 C ATOM 1408 O ASN A 106 9.883 9.712 6.503 1.00 0.00 O ATOM 1409 CB ASN A 106 8.187 8.175 4.783 1.00 0.00 C ATOM 1410 CG ASN A 106 7.203 8.756 5.791 1.00 0.00 C ATOM 1411 OD1 ASN A 106 7.430 8.711 6.998 1.00 0.00 O ATOM 1412 ND2 ASN A 106 6.096 9.297 5.302 1.00 0.00 N ATOM 0 H ASN A 106 9.700 9.196 2.202 1.00 0.00 H new ATOM 0 HA ASN A 106 8.650 10.098 3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.630 7.752 3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.731 7.355 5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.400 9.693 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.940 9.317 4.294 1.00 0.00 H new ATOM 1418 N ALA A 107 11.445 9.844 4.903 1.00 0.00 N ATOM 1419 CA ALA A 107 12.508 10.229 5.817 1.00 0.00 C ATOM 1420 C ALA A 107 13.535 11.081 5.088 1.00 0.00 C ATOM 1421 O ALA A 107 14.033 10.685 4.029 1.00 0.00 O ATOM 1422 CB ALA A 107 13.170 8.996 6.418 1.00 0.00 C ATOM 0 H ALA A 107 11.735 9.778 3.927 1.00 0.00 H new ATOM 0 HA ALA A 107 12.077 10.814 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.963 9.304 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 107 12.428 8.414 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.594 8.385 5.621 1.00 0.00 H new ATOM 1428 N ASP A 108 13.832 12.252 5.655 1.00 0.00 N ATOM 1429 CA ASP A 108 14.791 13.193 5.076 1.00 0.00 C ATOM 1430 C ASP A 108 14.266 13.775 3.759 1.00 0.00 C ATOM 1431 O ASP A 108 13.413 13.175 3.099 1.00 0.00 O ATOM 1432 CB ASP A 108 16.149 12.503 4.896 1.00 0.00 C ATOM 1433 CG ASP A 108 17.167 13.348 4.155 1.00 0.00 C ATOM 1434 OD1 ASP A 108 17.420 14.494 4.578 1.00 0.00 O ATOM 1435 OD2 ASP A 108 17.712 12.867 3.137 1.00 0.00 O ATOM 0 H ASP A 108 13.414 12.574 6.528 1.00 0.00 H new ATOM 0 HA ASP A 108 14.924 14.032 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 108 16.549 12.245 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 108 16.003 11.568 4.355 1.00 0.00 H new ATOM 1439 N HIS A 109 14.762 14.962 3.408 1.00 0.00 N ATOM 1440 CA HIS A 109 14.364 15.664 2.186 1.00 0.00 C ATOM 1441 C HIS A 109 12.959 16.242 2.321 1.00 0.00 C ATOM 1442 O HIS A 109 12.139 15.774 3.113 1.00 0.00 O ATOM 1443 CB HIS A 109 14.446 14.738 0.961 1.00 0.00 C ATOM 1444 CG HIS A 109 14.175 15.401 -0.357 1.00 0.00 C ATOM 1445 ND1 HIS A 109 15.104 16.173 -1.015 1.00 0.00 N ATOM 1446 CD2 HIS A 109 13.072 15.395 -1.147 1.00 0.00 C ATOM 1447 CE1 HIS A 109 14.590 16.615 -2.143 1.00 0.00 C ATOM 1448 NE2 HIS A 109 13.358 16.159 -2.250 1.00 0.00 N ATOM 0 H HIS A 109 15.453 15.466 3.964 1.00 0.00 H new ATOM 0 HA HIS A 109 15.063 16.487 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 109 15.440 14.292 0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 109 13.735 13.923 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 109 12.142 14.884 -0.945 1.00 0.00 H new ATOM 0 HE1 HIS A 109 15.093 17.246 -2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 109 12.722 16.344 -3.026 1.00 0.00 H new ATOM 1456 N VAL A 110 12.702 17.268 1.536 1.00 0.00 N ATOM 1457 CA VAL A 110 11.417 17.939 1.533 1.00 0.00 C ATOM 1458 C VAL A 110 10.443 17.171 0.652 1.00 0.00 C ATOM 1459 O VAL A 110 10.411 17.345 -0.569 1.00 0.00 O ATOM 1460 CB VAL A 110 11.530 19.398 1.036 1.00 0.00 C ATOM 1461 CG1 VAL A 110 10.198 20.122 1.172 1.00 0.00 C ATOM 1462 CG2 VAL A 110 12.623 20.141 1.794 1.00 0.00 C ATOM 0 H VAL A 110 13.378 17.661 0.881 1.00 0.00 H new ATOM 0 HA VAL A 110 11.052 17.966 2.560 1.00 0.00 H new ATOM 0 HB VAL A 110 11.798 19.376 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.303 21.147 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.442 19.607 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.894 20.131 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.686 21.166 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.387 20.149 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.579 19.641 1.638 1.00 0.00 H new ATOM 1472 N LEU A 111 9.688 16.290 1.285 1.00 0.00 N ATOM 1473 CA LEU A 111 8.693 15.468 0.599 1.00 0.00 C ATOM 1474 C LEU A 111 7.594 16.336 0.005 1.00 0.00 C ATOM 1475 O LEU A 111 6.908 15.947 -0.941 1.00 0.00 O ATOM 1476 CB LEU A 111 8.101 14.436 1.565 1.00 0.00 C ATOM 1477 CG LEU A 111 7.087 13.460 0.959 1.00 0.00 C ATOM 1478 CD1 LEU A 111 7.747 12.578 -0.092 1.00 0.00 C ATOM 1479 CD2 LEU A 111 6.456 12.605 2.050 1.00 0.00 C ATOM 0 H LEU A 111 9.744 16.121 2.289 1.00 0.00 H new ATOM 0 HA LEU A 111 9.185 14.939 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.919 13.859 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.619 14.968 2.385 1.00 0.00 H new ATOM 0 HG LEU A 111 6.303 14.040 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.008 11.893 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.153 13.202 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.553 12.006 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.738 11.917 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.233 12.037 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.945 13.248 2.766 1.00 0.00 H new ATOM 1490 N LYS A 112 7.450 17.513 0.574 1.00 0.00 N ATOM 1491 CA LYS A 112 6.460 18.483 0.125 1.00 0.00 C ATOM 1492 C LYS A 112 6.914 19.112 -1.191 1.00 0.00 C ATOM 1493 O LYS A 112 7.758 20.009 -1.206 1.00 0.00 O ATOM 1494 CB LYS A 112 6.264 19.570 1.186 1.00 0.00 C ATOM 1495 CG LYS A 112 5.230 20.619 0.809 1.00 0.00 C ATOM 1496 CD LYS A 112 5.171 21.726 1.847 1.00 0.00 C ATOM 1497 CE LYS A 112 4.276 22.871 1.402 1.00 0.00 C ATOM 1498 NZ LYS A 112 2.851 22.462 1.288 1.00 0.00 N ATOM 0 H LYS A 112 8.014 17.830 1.362 1.00 0.00 H new ATOM 0 HA LYS A 112 5.510 17.973 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.965 19.100 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.219 20.064 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.475 21.042 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.250 20.151 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.802 21.321 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.177 22.103 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.360 23.693 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.622 23.247 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.275 23.284 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.760 21.719 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.520 22.096 2.204 1.00 0.00 H new ATOM 1508 N SER A 113 6.357 18.636 -2.291 1.00 0.00 N ATOM 1509 CA SER A 113 6.709 19.140 -3.605 1.00 0.00 C ATOM 1510 C SER A 113 5.953 20.430 -3.911 1.00 0.00 C ATOM 1511 O SER A 113 5.015 20.448 -4.709 1.00 0.00 O ATOM 1512 CB SER A 113 6.415 18.075 -4.659 1.00 0.00 C ATOM 1513 OG SER A 113 7.089 16.863 -4.353 1.00 0.00 O ATOM 0 H SER A 113 5.655 17.896 -2.299 1.00 0.00 H new ATOM 0 HA SER A 113 7.775 19.369 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 113 5.341 17.896 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.727 18.432 -5.640 1.00 0.00 H new ATOM 0 HG SER A 113 6.886 16.194 -5.039 1.00 0.00 H new ATOM 1518 N SER A 114 6.363 21.505 -3.259 1.00 0.00 N ATOM 1519 CA SER A 114 5.739 22.800 -3.447 1.00 0.00 C ATOM 1520 C SER A 114 6.799 23.860 -3.734 1.00 0.00 C ATOM 1521 O SER A 114 7.108 24.695 -2.885 1.00 0.00 O ATOM 1522 CB SER A 114 4.929 23.168 -2.200 1.00 0.00 C ATOM 1523 OG SER A 114 3.934 22.188 -1.929 1.00 0.00 O ATOM 0 H SER A 114 7.132 21.504 -2.589 1.00 0.00 H new ATOM 0 HA SER A 114 5.065 22.753 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.596 23.260 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.457 24.140 -2.343 1.00 0.00 H new ATOM 0 HG SER A 114 3.332 22.518 -1.230 1.00 0.00 H new ATOM 1528 N SER A 115 7.359 23.809 -4.936 1.00 0.00 N ATOM 1529 CA SER A 115 8.386 24.758 -5.341 1.00 0.00 C ATOM 1530 C SER A 115 7.761 26.094 -5.729 1.00 0.00 C ATOM 1531 O SER A 115 8.411 27.140 -5.682 1.00 0.00 O ATOM 1532 CB SER A 115 9.177 24.194 -6.521 1.00 0.00 C ATOM 1533 OG SER A 115 9.748 22.934 -6.198 1.00 0.00 O ATOM 0 H SER A 115 7.118 23.119 -5.648 1.00 0.00 H new ATOM 0 HA SER A 115 9.059 24.921 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 115 8.521 24.089 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.965 24.893 -6.802 1.00 0.00 H new ATOM 0 HG SER A 115 10.247 22.594 -6.970 1.00 0.00 H new ATOM 1538 N GLU A 116 6.495 26.047 -6.115 1.00 0.00 N ATOM 1539 CA GLU A 116 5.773 27.240 -6.520 1.00 0.00 C ATOM 1540 C GLU A 116 4.894 27.758 -5.384 1.00 0.00 C ATOM 1541 O GLU A 116 5.301 28.732 -4.721 1.00 0.00 O ATOM 1542 CB GLU A 116 4.953 26.952 -7.783 1.00 0.00 C ATOM 1543 CG GLU A 116 4.087 25.705 -7.690 1.00 0.00 C ATOM 1544 CD GLU A 116 3.358 25.406 -8.982 1.00 0.00 C ATOM 1545 OE1 GLU A 116 4.000 25.457 -10.051 1.00 0.00 O ATOM 1546 OE2 GLU A 116 2.146 25.116 -8.936 1.00 0.00 O ATOM 0 H GLU A 116 5.945 25.189 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 116 6.492 28.025 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 116 4.314 27.810 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 116 5.633 26.847 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.712 24.852 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.360 25.831 -6.888 1.00 0.00 H new TER 1551 GLU A 116