USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1037 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 116 TYR OH : rot 180:sc= 0.0728 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.676 K(o=0.75,f=0.078) USER MOD Set 2.1: A 109 HIS : no HE2:sc= -1.53 K(o=-0.91,f=-1.8) USER MOD Set 2.2: A 110 GLN :FLIP amide:sc= 0.62 F(o=-1.8,f=-0.91) USER MOD Set 3.1: A 46 THR OG1 : rot -87:sc= -1.18! USER MOD Set 3.2: A 47 HIS : no HE2:sc= -7.29! C(o=-10!,f=-21!) USER MOD Set 3.3: A 50 GLN : amide:sc= -1.96 K(o=-10,f=-13!) USER MOD Set 4.1: A 8 CYS SG : rot 147:sc= 0.251 USER MOD Set 4.2: A 34 CYS SG : rot 123:sc= -1.26! USER MOD Single : A 1 MET CE :methyl 123:sc= -0.0924 (180deg=-0.667) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 102:sc= 0.0535 USER MOD Single : A 18 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.2!) USER MOD Single : A 20 CYS SG : rot 86:sc= -0.974! USER MOD Single : A 21 GLN : amide:sc= -6.22! C(o=-6.2!,f=-9.3!) USER MOD Single : A 25 SER OG : rot 11:sc= 0.692 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 150:sc= -0.145 (180deg=-0.873) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.71! USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0023 F(o=-1.9!,f=-0.0023) USER MOD Single : A 53 CYS SG : rot -1:sc= -0.893! USER MOD Single : A 60 ASN : amide:sc= -0.0675 K(o=-0.068,f=-1.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 69 GLN : amide:sc= -2.57! C(o=-2.6!,f=-9.4!) USER MOD Single : A 71 CYS SG : rot 25:sc= -1.84 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.7!) USER MOD Single : A 99 TYR OH : rot -48:sc= 0.8 USER MOD Single : A 100 HIS : no HD1:sc= -18.9! C(o=-19!,f=-33!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-3.4!) USER MOD Single : A 113 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.7!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.221 7.427 16.342 1.00 0.00 N ATOM 2 CA MET A 1 -1.045 6.512 16.413 1.00 0.00 C ATOM 3 C MET A 1 0.185 7.172 15.790 1.00 0.00 C ATOM 4 O MET A 1 0.647 6.770 14.741 1.00 0.00 O ATOM 5 CB MET A 1 -1.447 5.285 15.596 1.00 0.00 C ATOM 6 CG MET A 1 -1.344 4.031 16.467 1.00 0.00 C ATOM 7 SD MET A 1 -1.662 2.568 15.451 1.00 0.00 S ATOM 8 CE MET A 1 -0.066 2.530 14.599 1.00 0.00 C ATOM 0 H1 MET A 1 -3.048 6.963 16.769 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.010 8.304 16.859 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.426 7.652 15.348 1.00 0.00 H new ATOM 0 HA MET A 1 -0.788 6.260 17.442 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.466 5.400 15.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.800 5.188 14.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.353 3.967 16.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.062 4.083 17.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.413 1.566 14.767 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.221 2.677 13.530 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.572 3.325 14.986 1.00 0.00 H new ATOM 20 N LEU A 2 0.725 8.178 16.418 1.00 0.00 N ATOM 21 CA LEU A 2 1.929 8.836 15.839 1.00 0.00 C ATOM 22 C LEU A 2 3.196 8.119 16.299 1.00 0.00 C ATOM 23 O LEU A 2 4.275 8.358 15.795 1.00 0.00 O ATOM 24 CB LEU A 2 1.907 10.266 16.348 1.00 0.00 C ATOM 25 CG LEU A 2 2.036 11.188 15.143 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.347 10.887 14.414 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.859 10.939 14.196 1.00 0.00 C ATOM 0 H LEU A 2 0.390 8.570 17.298 1.00 0.00 H new ATOM 0 HA LEU A 2 1.922 8.804 14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.980 10.466 16.886 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.725 10.435 17.048 1.00 0.00 H new ATOM 0 HG LEU A 2 2.032 12.228 15.470 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.443 11.545 13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.186 11.052 15.091 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.348 9.849 14.081 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.944 11.595 13.330 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.871 9.900 13.866 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.076 11.144 14.717 1.00 0.00 H new ATOM 39 N SER A 3 3.073 7.241 17.256 1.00 0.00 N ATOM 40 CA SER A 3 4.270 6.508 17.749 1.00 0.00 C ATOM 41 C SER A 3 4.910 5.717 16.609 1.00 0.00 C ATOM 42 O SER A 3 6.117 5.676 16.469 1.00 0.00 O ATOM 43 CB SER A 3 3.729 5.563 18.820 1.00 0.00 C ATOM 44 OG SER A 3 3.272 6.322 19.935 1.00 0.00 O ATOM 0 H SER A 3 2.195 7.000 17.717 1.00 0.00 H new ATOM 0 HA SER A 3 5.038 7.176 18.139 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.913 4.965 18.414 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.508 4.868 19.134 1.00 0.00 H new ATOM 0 HG SER A 3 2.923 5.716 20.622 1.00 0.00 H new ATOM 50 N GLN A 4 4.112 5.095 15.788 1.00 0.00 N ATOM 51 CA GLN A 4 4.679 4.308 14.653 1.00 0.00 C ATOM 52 C GLN A 4 3.671 4.183 13.507 1.00 0.00 C ATOM 53 O GLN A 4 2.505 4.496 13.647 1.00 0.00 O ATOM 54 CB GLN A 4 4.982 2.925 15.227 1.00 0.00 C ATOM 55 CG GLN A 4 6.059 3.038 16.307 1.00 0.00 C ATOM 56 CD GLN A 4 6.709 1.670 16.516 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.031 0.698 16.784 1.00 0.00 O ATOM 58 NE2 GLN A 4 8.002 1.552 16.396 1.00 0.00 N ATOM 0 H GLN A 4 3.094 5.096 15.851 1.00 0.00 H new ATOM 0 HA GLN A 4 5.565 4.793 14.244 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.076 2.489 15.648 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.318 2.257 14.434 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.811 3.770 16.012 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.619 3.391 17.240 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.570 2.369 16.171 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.445 0.643 16.527 1.00 0.00 H new ATOM 67 N ILE A 5 4.121 3.699 12.381 1.00 0.00 N ATOM 68 CA ILE A 5 3.212 3.518 11.215 1.00 0.00 C ATOM 69 C ILE A 5 3.295 2.067 10.739 1.00 0.00 C ATOM 70 O ILE A 5 4.351 1.467 10.743 1.00 0.00 O ATOM 71 CB ILE A 5 3.741 4.455 10.133 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.568 5.911 10.574 1.00 0.00 C ATOM 73 CG2 ILE A 5 2.958 4.221 8.840 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.330 6.825 9.610 1.00 0.00 C ATOM 0 H ILE A 5 5.088 3.419 12.219 1.00 0.00 H new ATOM 0 HA ILE A 5 2.173 3.737 11.459 1.00 0.00 H new ATOM 0 HB ILE A 5 4.800 4.255 9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.511 6.176 10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.941 6.042 11.590 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.331 4.888 8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.083 3.186 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.901 4.422 9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.209 7.863 9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.388 6.564 9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.936 6.700 8.602 1.00 0.00 H new ATOM 86 N ALA A 6 2.199 1.494 10.332 1.00 0.00 N ATOM 87 CA ALA A 6 2.242 0.086 9.864 1.00 0.00 C ATOM 88 C ALA A 6 2.325 0.042 8.342 1.00 0.00 C ATOM 89 O ALA A 6 1.421 0.459 7.648 1.00 0.00 O ATOM 90 CB ALA A 6 0.931 -0.514 10.344 1.00 0.00 C ATOM 0 H ALA A 6 1.281 1.938 10.304 1.00 0.00 H new ATOM 0 HA ALA A 6 3.108 -0.457 10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.877 -1.559 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.877 -0.448 11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.098 0.035 9.906 1.00 0.00 H new ATOM 96 N ILE A 7 3.402 -0.465 7.815 1.00 0.00 N ATOM 97 CA ILE A 7 3.531 -0.534 6.335 1.00 0.00 C ATOM 98 C ILE A 7 3.798 -1.972 5.895 1.00 0.00 C ATOM 99 O ILE A 7 4.794 -2.568 6.254 1.00 0.00 O ATOM 100 CB ILE A 7 4.716 0.363 5.988 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.445 1.779 6.492 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.897 0.398 4.472 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.631 2.676 6.138 1.00 0.00 C ATOM 0 H ILE A 7 4.195 -0.833 8.341 1.00 0.00 H new ATOM 0 HA ILE A 7 2.621 -0.210 5.830 1.00 0.00 H new ATOM 0 HB ILE A 7 5.618 -0.028 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.532 2.169 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.290 1.770 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.743 1.038 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.084 -0.611 4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.993 0.792 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.441 3.688 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.534 2.288 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.764 2.693 5.056 1.00 0.00 H new ATOM 115 N CYS A 8 2.918 -2.528 5.115 1.00 0.00 N ATOM 116 CA CYS A 8 3.115 -3.924 4.642 1.00 0.00 C ATOM 117 C CYS A 8 3.606 -3.905 3.196 1.00 0.00 C ATOM 118 O CYS A 8 2.882 -3.534 2.293 1.00 0.00 O ATOM 119 CB CYS A 8 1.730 -4.559 4.737 1.00 0.00 C ATOM 120 SG CYS A 8 1.850 -6.337 4.423 1.00 0.00 S ATOM 0 H CYS A 8 2.067 -2.074 4.783 1.00 0.00 H new ATOM 0 HA CYS A 8 3.854 -4.474 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.306 -4.383 5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.057 -4.097 4.014 1.00 0.00 H new ATOM 0 HG CYS A 8 0.955 -6.963 5.127 1.00 0.00 H new ATOM 126 N ILE A 9 4.833 -4.284 2.961 1.00 0.00 N ATOM 127 CA ILE A 9 5.350 -4.260 1.564 1.00 0.00 C ATOM 128 C ILE A 9 5.310 -5.654 0.945 1.00 0.00 C ATOM 129 O ILE A 9 5.466 -6.653 1.618 1.00 0.00 O ATOM 130 CB ILE A 9 6.792 -3.784 1.701 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.452 -3.690 0.309 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.551 -4.763 2.595 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.128 -5.011 -0.071 1.00 0.00 C ATOM 0 H ILE A 9 5.494 -4.606 3.668 1.00 0.00 H new ATOM 0 HA ILE A 9 4.754 -3.617 0.916 1.00 0.00 H new ATOM 0 HB ILE A 9 6.816 -2.792 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.699 -3.435 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.189 -2.887 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.584 -4.433 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.080 -4.799 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.531 -5.756 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.585 -4.916 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.897 -5.251 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.384 -5.808 -0.091 1.00 0.00 H new ATOM 145 N TRP A 10 5.129 -5.726 -0.340 1.00 0.00 N ATOM 146 CA TRP A 10 5.113 -7.054 -1.010 1.00 0.00 C ATOM 147 C TRP A 10 6.167 -7.067 -2.108 1.00 0.00 C ATOM 148 O TRP A 10 6.130 -6.278 -3.033 1.00 0.00 O ATOM 149 CB TRP A 10 3.718 -7.220 -1.601 1.00 0.00 C ATOM 150 CG TRP A 10 3.706 -8.426 -2.485 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.588 -9.452 -2.418 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.786 -8.748 -3.563 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.266 -10.383 -3.392 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.159 -9.994 -4.122 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.671 -8.086 -4.101 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.453 -10.558 -5.184 1.00 0.00 C ATOM 157 CZ3 TRP A 10 0.957 -8.650 -5.169 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.344 -9.886 -5.707 1.00 0.00 C ATOM 0 H TRP A 10 4.991 -4.925 -0.956 1.00 0.00 H new ATOM 0 HA TRP A 10 5.335 -7.867 -0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.982 -7.329 -0.805 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.442 -6.333 -2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.408 -9.531 -1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.782 -11.248 -3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.361 -7.137 -3.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.760 -11.506 -5.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.104 -8.129 -5.579 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.786 -10.318 -6.524 1.00 0.00 H new ATOM 169 N VAL A 11 7.120 -7.939 -2.000 1.00 0.00 N ATOM 170 CA VAL A 11 8.193 -7.986 -3.018 1.00 0.00 C ATOM 171 C VAL A 11 8.966 -9.301 -2.880 1.00 0.00 C ATOM 172 O VAL A 11 9.436 -9.643 -1.814 1.00 0.00 O ATOM 173 CB VAL A 11 9.058 -6.778 -2.669 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.670 -6.986 -1.287 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.168 -6.607 -3.705 1.00 0.00 C ATOM 0 H VAL A 11 7.202 -8.623 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 11 7.839 -7.950 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 11 8.441 -5.880 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.290 -6.127 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.875 -7.093 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.283 -7.887 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.778 -5.742 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.792 -7.500 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.726 -6.457 -4.690 1.00 0.00 H new ATOM 185 N GLU A 12 9.084 -10.051 -3.942 1.00 0.00 N ATOM 186 CA GLU A 12 9.810 -11.356 -3.858 1.00 0.00 C ATOM 187 C GLU A 12 11.325 -11.139 -3.899 1.00 0.00 C ATOM 188 O GLU A 12 12.095 -12.074 -3.824 1.00 0.00 O ATOM 189 CB GLU A 12 9.350 -12.148 -5.084 1.00 0.00 C ATOM 190 CG GLU A 12 8.063 -12.905 -4.754 1.00 0.00 C ATOM 191 CD GLU A 12 8.404 -14.193 -4.004 1.00 0.00 C ATOM 192 OE1 GLU A 12 9.525 -14.305 -3.535 1.00 0.00 O ATOM 193 OE2 GLU A 12 7.538 -15.047 -3.911 1.00 0.00 O ATOM 0 H GLU A 12 8.711 -9.820 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 12 9.595 -11.879 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.182 -11.473 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.127 -12.848 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.408 -12.281 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.521 -13.138 -5.671 1.00 0.00 H new ATOM 200 N SER A 13 11.759 -9.916 -4.022 1.00 0.00 N ATOM 201 CA SER A 13 13.225 -9.647 -4.071 1.00 0.00 C ATOM 202 C SER A 13 13.682 -8.955 -2.785 1.00 0.00 C ATOM 203 O SER A 13 13.104 -7.975 -2.356 1.00 0.00 O ATOM 204 CB SER A 13 13.419 -8.727 -5.274 1.00 0.00 C ATOM 205 OG SER A 13 14.790 -8.735 -5.654 1.00 0.00 O ATOM 0 H SER A 13 11.163 -9.091 -4.091 1.00 0.00 H new ATOM 0 HA SER A 13 13.809 -10.563 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.797 -9.060 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.104 -7.713 -5.026 1.00 0.00 H new ATOM 0 HG SER A 13 14.919 -8.147 -6.427 1.00 0.00 H new ATOM 211 N THR A 14 14.716 -9.456 -2.169 1.00 0.00 N ATOM 212 CA THR A 14 15.210 -8.825 -0.915 1.00 0.00 C ATOM 213 C THR A 14 15.733 -7.424 -1.221 1.00 0.00 C ATOM 214 O THR A 14 15.434 -6.474 -0.529 1.00 0.00 O ATOM 215 CB THR A 14 16.347 -9.725 -0.442 1.00 0.00 C ATOM 216 OG1 THR A 14 16.004 -11.082 -0.683 1.00 0.00 O ATOM 217 CG2 THR A 14 16.579 -9.514 1.054 1.00 0.00 C ATOM 0 H THR A 14 15.240 -10.274 -2.480 1.00 0.00 H new ATOM 0 HA THR A 14 14.431 -8.726 -0.159 1.00 0.00 H new ATOM 0 HB THR A 14 17.258 -9.477 -0.986 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.471 -11.400 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.392 -10.158 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.841 -8.472 1.238 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.670 -9.761 1.602 1.00 0.00 H new ATOM 225 N ALA A 15 16.506 -7.286 -2.262 1.00 0.00 N ATOM 226 CA ALA A 15 17.037 -5.940 -2.610 1.00 0.00 C ATOM 227 C ALA A 15 15.880 -4.947 -2.699 1.00 0.00 C ATOM 228 O ALA A 15 15.912 -3.887 -2.106 1.00 0.00 O ATOM 229 CB ALA A 15 17.711 -6.113 -3.970 1.00 0.00 C ATOM 0 H ALA A 15 16.791 -8.043 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 15 17.737 -5.558 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.128 -5.159 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.510 -6.850 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.976 -6.454 -4.699 1.00 0.00 H new ATOM 235 N ILE A 16 14.846 -5.290 -3.419 1.00 0.00 N ATOM 236 CA ILE A 16 13.683 -4.371 -3.514 1.00 0.00 C ATOM 237 C ILE A 16 13.022 -4.293 -2.137 1.00 0.00 C ATOM 238 O ILE A 16 12.615 -3.239 -1.691 1.00 0.00 O ATOM 239 CB ILE A 16 12.760 -4.993 -4.568 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.465 -4.970 -5.929 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.459 -4.190 -4.651 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.786 -5.956 -6.881 1.00 0.00 C ATOM 0 H ILE A 16 14.759 -6.162 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 16 13.946 -3.353 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 16 12.529 -6.022 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.433 -3.964 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.516 -5.232 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.805 -4.634 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.961 -4.203 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.684 -3.161 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.291 -5.936 -7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.841 -6.961 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.741 -5.675 -7.012 1.00 0.00 H new ATOM 254 N LEU A 17 12.957 -5.399 -1.440 1.00 0.00 N ATOM 255 CA LEU A 17 12.372 -5.385 -0.068 1.00 0.00 C ATOM 256 C LEU A 17 13.228 -4.490 0.826 1.00 0.00 C ATOM 257 O LEU A 17 12.729 -3.658 1.560 1.00 0.00 O ATOM 258 CB LEU A 17 12.437 -6.846 0.404 1.00 0.00 C ATOM 259 CG LEU A 17 12.389 -6.928 1.938 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.792 -6.715 2.505 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.441 -5.860 2.497 1.00 0.00 C ATOM 0 H LEU A 17 13.284 -6.310 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 17 11.352 -5.001 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.605 -7.407 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.353 -7.310 0.039 1.00 0.00 H new ATOM 0 HG LEU A 17 12.022 -7.912 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.757 -6.773 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.460 -7.486 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.160 -5.734 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.416 -5.929 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.794 -4.871 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.438 -6.020 2.100 1.00 0.00 H new ATOM 273 N GLN A 18 14.519 -4.656 0.761 1.00 0.00 N ATOM 274 CA GLN A 18 15.423 -3.818 1.598 1.00 0.00 C ATOM 275 C GLN A 18 15.325 -2.350 1.182 1.00 0.00 C ATOM 276 O GLN A 18 15.146 -1.478 2.007 1.00 0.00 O ATOM 277 CB GLN A 18 16.832 -4.348 1.334 1.00 0.00 C ATOM 278 CG GLN A 18 16.977 -5.755 1.920 1.00 0.00 C ATOM 279 CD GLN A 18 18.446 -6.179 1.875 1.00 0.00 C ATOM 280 OE1 GLN A 18 19.273 -5.491 1.311 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.810 -7.293 2.448 1.00 0.00 N ATOM 0 H GLN A 18 14.988 -5.337 0.164 1.00 0.00 H new ATOM 0 HA GLN A 18 15.160 -3.871 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.027 -4.369 0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.570 -3.681 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.614 -5.771 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.367 -6.460 1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.117 -7.873 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.787 -7.584 2.422 1.00 0.00 H new ATOM 290 N ASP A 19 15.442 -2.062 -0.088 1.00 0.00 N ATOM 291 CA ASP A 19 15.354 -0.641 -0.528 1.00 0.00 C ATOM 292 C ASP A 19 13.986 -0.069 -0.148 1.00 0.00 C ATOM 293 O ASP A 19 13.878 1.042 0.335 1.00 0.00 O ATOM 294 CB ASP A 19 15.528 -0.675 -2.047 1.00 0.00 C ATOM 295 CG ASP A 19 16.783 -1.476 -2.401 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.449 -1.929 -1.485 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.058 -1.619 -3.581 1.00 0.00 O ATOM 0 H ASP A 19 15.593 -2.743 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 19 16.109 -0.011 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.652 -1.126 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.610 0.340 -2.437 1.00 0.00 H new ATOM 302 N CYS A 20 12.940 -0.829 -0.349 1.00 0.00 N ATOM 303 CA CYS A 20 11.582 -0.331 0.014 1.00 0.00 C ATOM 304 C CYS A 20 11.517 -0.040 1.511 1.00 0.00 C ATOM 305 O CYS A 20 10.922 0.926 1.940 1.00 0.00 O ATOM 306 CB CYS A 20 10.622 -1.473 -0.332 1.00 0.00 C ATOM 307 SG CYS A 20 10.467 -1.625 -2.129 1.00 0.00 S ATOM 0 H CYS A 20 12.968 -1.768 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 20 11.332 0.589 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.989 -2.408 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.644 -1.285 0.111 1.00 0.00 H new ATOM 0 HG CYS A 20 11.420 -2.383 -2.584 1.00 0.00 H new ATOM 313 N GLN A 21 12.121 -0.876 2.308 1.00 0.00 N ATOM 314 CA GLN A 21 12.086 -0.658 3.777 1.00 0.00 C ATOM 315 C GLN A 21 13.217 0.270 4.218 1.00 0.00 C ATOM 316 O GLN A 21 13.054 1.080 5.105 1.00 0.00 O ATOM 317 CB GLN A 21 12.260 -2.046 4.378 1.00 0.00 C ATOM 318 CG GLN A 21 11.024 -2.890 4.062 1.00 0.00 C ATOM 319 CD GLN A 21 10.999 -4.116 4.974 1.00 0.00 C ATOM 320 OE1 GLN A 21 9.970 -4.740 5.144 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.095 -4.490 5.574 1.00 0.00 N ATOM 0 H GLN A 21 12.637 -1.701 2.003 1.00 0.00 H new ATOM 0 HA GLN A 21 11.160 -0.182 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.153 -2.521 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.399 -1.973 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.120 -2.298 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.040 -3.201 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.959 -3.966 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.088 -5.306 6.186 1.00 0.00 H new ATOM 330 N ARG A 22 14.361 0.161 3.609 1.00 0.00 N ATOM 331 CA ARG A 22 15.490 1.042 4.009 1.00 0.00 C ATOM 332 C ARG A 22 15.017 2.488 4.051 1.00 0.00 C ATOM 333 O ARG A 22 15.178 3.173 5.041 1.00 0.00 O ATOM 334 CB ARG A 22 16.549 0.852 2.929 1.00 0.00 C ATOM 335 CG ARG A 22 17.419 -0.370 3.258 1.00 0.00 C ATOM 336 CD ARG A 22 18.477 -0.552 2.165 1.00 0.00 C ATOM 337 NE ARG A 22 19.456 -1.544 2.708 1.00 0.00 N ATOM 338 CZ ARG A 22 20.347 -1.179 3.594 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.353 0.042 4.055 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.233 -2.040 4.023 1.00 0.00 N ATOM 0 H ARG A 22 14.564 -0.496 2.855 1.00 0.00 H new ATOM 0 HA ARG A 22 15.881 0.800 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.071 0.718 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.172 1.744 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.901 -0.237 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.798 -1.263 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.026 -0.913 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.966 0.394 1.933 1.00 0.00 H new ATOM 0 HE ARG A 22 19.429 -2.511 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.662 0.715 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.049 0.323 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.229 -2.996 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.928 -1.756 4.714 1.00 0.00 H new ATOM 354 N ALA A 23 14.408 2.958 2.997 1.00 0.00 N ATOM 355 CA ALA A 23 13.910 4.361 3.019 1.00 0.00 C ATOM 356 C ALA A 23 12.867 4.491 4.134 1.00 0.00 C ATOM 357 O ALA A 23 12.950 5.364 4.974 1.00 0.00 O ATOM 358 CB ALA A 23 13.289 4.605 1.639 1.00 0.00 C ATOM 0 H ALA A 23 14.236 2.441 2.135 1.00 0.00 H new ATOM 0 HA ALA A 23 14.695 5.091 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.902 5.623 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.048 4.467 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.475 3.899 1.476 1.00 0.00 H new ATOM 364 N LEU A 24 11.900 3.609 4.167 1.00 0.00 N ATOM 365 CA LEU A 24 10.875 3.669 5.250 1.00 0.00 C ATOM 366 C LEU A 24 11.450 3.066 6.534 1.00 0.00 C ATOM 367 O LEU A 24 10.993 2.045 7.012 1.00 0.00 O ATOM 368 CB LEU A 24 9.710 2.822 4.736 1.00 0.00 C ATOM 369 CG LEU A 24 9.190 3.420 3.433 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.051 2.562 2.891 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.671 4.827 3.705 1.00 0.00 C ATOM 0 H LEU A 24 11.777 2.853 3.493 1.00 0.00 H new ATOM 0 HA LEU A 24 10.565 4.688 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.036 1.795 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.913 2.790 5.479 1.00 0.00 H new ATOM 0 HG LEU A 24 9.997 3.454 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.682 2.993 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.414 1.551 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.242 2.528 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.297 5.262 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.864 4.782 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.480 5.444 4.095 1.00 0.00 H new ATOM 383 N SER A 25 12.461 3.682 7.085 1.00 0.00 N ATOM 384 CA SER A 25 13.085 3.138 8.326 1.00 0.00 C ATOM 385 C SER A 25 12.811 4.042 9.536 1.00 0.00 C ATOM 386 O SER A 25 13.174 3.712 10.647 1.00 0.00 O ATOM 387 CB SER A 25 14.578 3.093 8.017 1.00 0.00 C ATOM 388 OG SER A 25 15.305 3.032 9.235 1.00 0.00 O ATOM 0 H SER A 25 12.882 4.540 6.729 1.00 0.00 H new ATOM 0 HA SER A 25 12.681 2.160 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.808 2.225 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.871 3.976 7.449 1.00 0.00 H new ATOM 0 HG SER A 25 14.688 2.859 9.976 1.00 0.00 H new ATOM 394 N ALA A 26 12.180 5.170 9.329 1.00 0.00 N ATOM 395 CA ALA A 26 11.872 6.100 10.463 1.00 0.00 C ATOM 396 C ALA A 26 11.634 5.323 11.765 1.00 0.00 C ATOM 397 O ALA A 26 11.035 4.267 11.767 1.00 0.00 O ATOM 398 CB ALA A 26 10.588 6.819 10.037 1.00 0.00 C ATOM 0 H ALA A 26 11.861 5.491 8.415 1.00 0.00 H new ATOM 0 HA ALA A 26 12.695 6.787 10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.290 7.523 10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.765 7.359 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.794 6.087 9.886 1.00 0.00 H new ATOM 404 N ASP A 27 12.108 5.839 12.868 1.00 0.00 N ATOM 405 CA ASP A 27 11.924 5.139 14.174 1.00 0.00 C ATOM 406 C ASP A 27 10.453 4.785 14.407 1.00 0.00 C ATOM 407 O ASP A 27 10.131 3.974 15.251 1.00 0.00 O ATOM 408 CB ASP A 27 12.400 6.144 15.224 1.00 0.00 C ATOM 409 CG ASP A 27 12.916 5.400 16.457 1.00 0.00 C ATOM 410 OD1 ASP A 27 12.284 4.434 16.851 1.00 0.00 O ATOM 411 OD2 ASP A 27 13.933 5.813 16.990 1.00 0.00 O ATOM 0 H ASP A 27 12.618 6.721 12.921 1.00 0.00 H new ATOM 0 HA ASP A 27 12.476 4.200 14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.190 6.771 14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.581 6.807 15.504 1.00 0.00 H new ATOM 416 N ARG A 28 9.557 5.398 13.684 1.00 0.00 N ATOM 417 CA ARG A 28 8.115 5.102 13.890 1.00 0.00 C ATOM 418 C ARG A 28 7.552 4.286 12.726 1.00 0.00 C ATOM 419 O ARG A 28 6.404 4.425 12.370 1.00 0.00 O ATOM 420 CB ARG A 28 7.456 6.476 13.941 1.00 0.00 C ATOM 421 CG ARG A 28 7.461 7.088 12.541 1.00 0.00 C ATOM 422 CD ARG A 28 7.143 8.577 12.649 1.00 0.00 C ATOM 423 NE ARG A 28 6.963 9.043 11.248 1.00 0.00 N ATOM 424 CZ ARG A 28 6.621 10.281 11.013 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.404 11.100 12.010 1.00 0.00 N ATOM 426 NH2 ARG A 28 6.500 10.702 9.786 1.00 0.00 N ATOM 0 H ARG A 28 9.762 6.089 12.962 1.00 0.00 H new ATOM 0 HA ARG A 28 7.939 4.513 14.790 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.434 6.389 14.309 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.991 7.123 14.636 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.434 6.944 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.725 6.590 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.241 8.745 13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.951 9.117 13.142 1.00 0.00 H new ATOM 0 HE ARG A 28 7.106 8.397 10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.502 10.771 12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.137 12.067 11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.672 10.064 9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.233 11.669 9.603 1.00 0.00 H new ATOM 440 N TYR A 29 8.342 3.443 12.122 1.00 0.00 N ATOM 441 CA TYR A 29 7.809 2.642 10.986 1.00 0.00 C ATOM 442 C TYR A 29 7.755 1.162 11.340 1.00 0.00 C ATOM 443 O TYR A 29 8.690 0.597 11.874 1.00 0.00 O ATOM 444 CB TYR A 29 8.781 2.858 9.825 1.00 0.00 C ATOM 445 CG TYR A 29 8.293 3.977 8.940 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.928 4.150 8.695 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.216 4.847 8.367 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.492 5.195 7.877 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.786 5.891 7.548 1.00 0.00 C ATOM 450 CZ TYR A 29 7.422 6.069 7.303 1.00 0.00 C ATOM 451 OH TYR A 29 6.995 7.101 6.495 1.00 0.00 O ATOM 0 H TYR A 29 9.319 3.275 12.361 1.00 0.00 H new ATOM 0 HA TYR A 29 6.794 2.952 10.736 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.773 3.095 10.210 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.876 1.940 9.245 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.210 3.476 9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.271 4.713 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.437 5.328 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.507 6.561 7.104 1.00 0.00 H new ATOM 0 HH TYR A 29 7.770 7.612 6.180 1.00 0.00 H new ATOM 461 N GLN A 30 6.671 0.526 11.014 1.00 0.00 N ATOM 462 CA GLN A 30 6.544 -0.929 11.286 1.00 0.00 C ATOM 463 C GLN A 30 6.410 -1.642 9.942 1.00 0.00 C ATOM 464 O GLN A 30 5.324 -1.826 9.427 1.00 0.00 O ATOM 465 CB GLN A 30 5.274 -1.062 12.122 1.00 0.00 C ATOM 466 CG GLN A 30 5.082 -2.515 12.550 1.00 0.00 C ATOM 467 CD GLN A 30 3.744 -2.650 13.276 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.211 -1.597 13.834 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 3.177 -3.723 13.339 1.00 0.00 N flip ATOM 0 H GLN A 30 5.860 0.954 10.567 1.00 0.00 H new ATOM 0 HA GLN A 30 7.395 -1.363 11.811 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.338 -0.421 13.001 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.412 -0.727 11.545 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.105 -3.170 11.679 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.897 -2.825 13.203 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.593 -4.546 12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.285 -3.801 13.828 1.00 0.00 H new ATOM 478 N LEU A 31 7.513 -1.994 9.347 1.00 0.00 N ATOM 479 CA LEU A 31 7.464 -2.637 8.007 1.00 0.00 C ATOM 480 C LEU A 31 7.179 -4.134 8.093 1.00 0.00 C ATOM 481 O LEU A 31 7.891 -4.885 8.729 1.00 0.00 O ATOM 482 CB LEU A 31 8.850 -2.389 7.413 1.00 0.00 C ATOM 483 CG LEU A 31 9.237 -0.920 7.614 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.379 -0.561 6.666 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.030 -0.025 7.321 1.00 0.00 C ATOM 0 H LEU A 31 8.449 -1.864 9.732 1.00 0.00 H new ATOM 0 HA LEU A 31 6.659 -2.224 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.584 -3.038 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.851 -2.634 6.351 1.00 0.00 H new ATOM 0 HG LEU A 31 9.557 -0.768 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.655 0.484 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.240 -1.196 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.058 -0.715 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.308 1.019 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.707 -0.176 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.215 -0.280 7.998 1.00 0.00 H new ATOM 497 N GLN A 32 6.154 -4.563 7.413 1.00 0.00 N ATOM 498 CA GLN A 32 5.811 -6.007 7.390 1.00 0.00 C ATOM 499 C GLN A 32 6.265 -6.574 6.050 1.00 0.00 C ATOM 500 O GLN A 32 6.125 -5.938 5.024 1.00 0.00 O ATOM 501 CB GLN A 32 4.287 -6.062 7.511 1.00 0.00 C ATOM 502 CG GLN A 32 3.895 -7.116 8.549 1.00 0.00 C ATOM 503 CD GLN A 32 4.543 -8.454 8.188 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.092 -9.141 7.294 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.591 -8.855 8.849 1.00 0.00 N ATOM 0 H GLN A 32 5.533 -3.966 6.866 1.00 0.00 H new ATOM 0 HA GLN A 32 6.285 -6.580 8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.899 -5.086 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.843 -6.305 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.216 -6.801 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.811 -7.222 8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.971 -8.279 9.600 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.032 -9.745 8.615 1.00 0.00 H new ATOM 514 N VAL A 33 6.828 -7.742 6.035 1.00 0.00 N ATOM 515 CA VAL A 33 7.299 -8.298 4.739 1.00 0.00 C ATOM 516 C VAL A 33 6.440 -9.479 4.297 1.00 0.00 C ATOM 517 O VAL A 33 6.241 -10.429 5.028 1.00 0.00 O ATOM 518 CB VAL A 33 8.726 -8.744 5.008 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.413 -9.064 3.682 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.476 -7.615 5.717 1.00 0.00 C ATOM 0 H VAL A 33 6.983 -8.333 6.852 1.00 0.00 H new ATOM 0 HA VAL A 33 7.236 -7.564 3.936 1.00 0.00 H new ATOM 0 HB VAL A 33 8.725 -9.634 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.438 -9.384 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.871 -9.862 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.422 -8.174 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.502 -7.927 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.482 -6.728 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.980 -7.384 6.660 1.00 0.00 H new ATOM 530 N CYS A 34 5.948 -9.432 3.091 1.00 0.00 N ATOM 531 CA CYS A 34 5.117 -10.555 2.575 1.00 0.00 C ATOM 532 C CYS A 34 5.881 -11.291 1.476 1.00 0.00 C ATOM 533 O CYS A 34 6.122 -10.761 0.409 1.00 0.00 O ATOM 534 CB CYS A 34 3.852 -9.904 2.015 1.00 0.00 C ATOM 535 SG CYS A 34 2.880 -9.215 3.375 1.00 0.00 S ATOM 0 H CYS A 34 6.086 -8.661 2.438 1.00 0.00 H new ATOM 0 HA CYS A 34 4.876 -11.285 3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.117 -9.118 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.262 -10.640 1.468 1.00 0.00 H new ATOM 0 HG CYS A 34 2.686 -7.946 3.170 1.00 0.00 H new ATOM 541 N GLU A 35 6.265 -12.508 1.729 1.00 0.00 N ATOM 542 CA GLU A 35 7.021 -13.281 0.706 1.00 0.00 C ATOM 543 C GLU A 35 6.185 -13.434 -0.572 1.00 0.00 C ATOM 544 O GLU A 35 6.717 -13.527 -1.660 1.00 0.00 O ATOM 545 CB GLU A 35 7.278 -14.637 1.359 1.00 0.00 C ATOM 546 CG GLU A 35 8.192 -14.449 2.573 1.00 0.00 C ATOM 547 CD GLU A 35 8.563 -15.817 3.150 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.008 -16.802 2.691 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.397 -15.857 4.039 1.00 0.00 O ATOM 0 H GLU A 35 6.088 -13.003 2.603 1.00 0.00 H new ATOM 0 HA GLU A 35 7.948 -12.790 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.335 -15.090 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.740 -15.317 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.093 -13.908 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.689 -13.847 3.330 1.00 0.00 H new ATOM 556 N SER A 36 4.885 -13.468 -0.450 1.00 0.00 N ATOM 557 CA SER A 36 4.024 -13.617 -1.663 1.00 0.00 C ATOM 558 C SER A 36 3.014 -12.472 -1.750 1.00 0.00 C ATOM 559 O SER A 36 3.112 -11.490 -1.042 1.00 0.00 O ATOM 560 CB SER A 36 3.299 -14.947 -1.476 1.00 0.00 C ATOM 561 OG SER A 36 4.253 -15.995 -1.369 1.00 0.00 O ATOM 0 H SER A 36 4.381 -13.399 0.434 1.00 0.00 H new ATOM 0 HA SER A 36 4.610 -13.593 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.679 -14.913 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.633 -15.132 -2.319 1.00 0.00 H new ATOM 0 HG SER A 36 3.788 -16.849 -1.247 1.00 0.00 H new ATOM 567 N GLY A 37 2.032 -12.600 -2.600 1.00 0.00 N ATOM 568 CA GLY A 37 1.004 -11.535 -2.716 1.00 0.00 C ATOM 569 C GLY A 37 -0.225 -12.023 -1.973 1.00 0.00 C ATOM 570 O GLY A 37 -0.963 -11.261 -1.376 1.00 0.00 O ATOM 0 H GLY A 37 1.900 -13.400 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.367 -10.600 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.769 -11.338 -3.762 1.00 0.00 H new ATOM 574 N GLU A 38 -0.413 -13.310 -1.978 1.00 0.00 N ATOM 575 CA GLU A 38 -1.547 -13.910 -1.253 1.00 0.00 C ATOM 576 C GLU A 38 -1.300 -13.716 0.235 1.00 0.00 C ATOM 577 O GLU A 38 -2.201 -13.446 1.005 1.00 0.00 O ATOM 578 CB GLU A 38 -1.496 -15.384 -1.644 1.00 0.00 C ATOM 579 CG GLU A 38 -2.244 -15.583 -2.965 1.00 0.00 C ATOM 580 CD GLU A 38 -2.150 -17.048 -3.395 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.050 -17.575 -3.398 1.00 0.00 O ATOM 582 OE2 GLU A 38 -3.180 -17.616 -3.717 1.00 0.00 O ATOM 0 H GLU A 38 0.185 -13.978 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.519 -13.476 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.461 -15.709 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.946 -15.995 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.289 -15.294 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.819 -14.940 -3.735 1.00 0.00 H new ATOM 589 N MET A 39 -0.062 -13.822 0.635 1.00 0.00 N ATOM 590 CA MET A 39 0.270 -13.612 2.062 1.00 0.00 C ATOM 591 C MET A 39 -0.084 -12.179 2.448 1.00 0.00 C ATOM 592 O MET A 39 -0.650 -11.919 3.490 1.00 0.00 O ATOM 593 CB MET A 39 1.778 -13.836 2.160 1.00 0.00 C ATOM 594 CG MET A 39 2.084 -15.323 2.002 1.00 0.00 C ATOM 595 SD MET A 39 3.830 -15.617 2.370 1.00 0.00 S ATOM 596 CE MET A 39 3.712 -15.435 4.166 1.00 0.00 C ATOM 0 H MET A 39 0.729 -14.045 0.031 1.00 0.00 H new ATOM 0 HA MET A 39 -0.276 -14.281 2.727 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.292 -13.264 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.148 -13.478 3.121 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.456 -15.909 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.855 -15.647 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.467 -16.058 4.645 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.876 -14.392 4.438 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.721 -15.745 4.499 1.00 0.00 H new ATOM 606 N LEU A 40 0.238 -11.249 1.593 1.00 0.00 N ATOM 607 CA LEU A 40 -0.083 -9.826 1.873 1.00 0.00 C ATOM 608 C LEU A 40 -1.590 -9.685 2.110 1.00 0.00 C ATOM 609 O LEU A 40 -2.029 -9.037 3.040 1.00 0.00 O ATOM 610 CB LEU A 40 0.371 -9.093 0.597 1.00 0.00 C ATOM 611 CG LEU A 40 -0.583 -7.941 0.263 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.582 -6.928 1.405 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.128 -7.254 -1.026 1.00 0.00 C ATOM 0 H LEU A 40 0.713 -11.417 0.706 1.00 0.00 H new ATOM 0 HA LEU A 40 0.404 -9.424 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.381 -8.707 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.408 -9.794 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.590 -8.336 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.261 -6.109 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.910 -7.415 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.426 -6.535 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.808 -6.435 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.880 -6.862 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.132 -7.975 -1.843 1.00 0.00 H new ATOM 625 N LEU A 41 -2.379 -10.300 1.276 1.00 0.00 N ATOM 626 CA LEU A 41 -3.855 -10.218 1.435 1.00 0.00 C ATOM 627 C LEU A 41 -4.272 -10.703 2.823 1.00 0.00 C ATOM 628 O LEU A 41 -5.103 -10.104 3.477 1.00 0.00 O ATOM 629 CB LEU A 41 -4.395 -11.156 0.358 1.00 0.00 C ATOM 630 CG LEU A 41 -4.030 -10.599 -1.008 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.340 -11.639 -2.084 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.862 -9.347 -1.248 1.00 0.00 C ATOM 0 H LEU A 41 -2.061 -10.860 0.485 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.233 -9.200 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.975 -12.154 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.477 -11.252 0.449 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.968 -10.358 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.078 -11.239 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.760 -12.543 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.403 -11.879 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.617 -8.929 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.921 -9.603 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.645 -8.612 -0.473 1.00 0.00 H new ATOM 644 N GLU A 42 -3.703 -11.783 3.273 1.00 0.00 N ATOM 645 CA GLU A 42 -4.065 -12.311 4.616 1.00 0.00 C ATOM 646 C GLU A 42 -3.683 -11.300 5.704 1.00 0.00 C ATOM 647 O GLU A 42 -4.423 -11.077 6.643 1.00 0.00 O ATOM 648 CB GLU A 42 -3.256 -13.599 4.758 1.00 0.00 C ATOM 649 CG GLU A 42 -3.805 -14.430 5.917 1.00 0.00 C ATOM 650 CD GLU A 42 -2.759 -15.464 6.335 1.00 0.00 C ATOM 651 OE1 GLU A 42 -1.588 -15.123 6.334 1.00 0.00 O ATOM 652 OE2 GLU A 42 -3.144 -16.579 6.644 1.00 0.00 O ATOM 0 H GLU A 42 -3.001 -12.325 2.768 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.135 -12.490 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.303 -14.173 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.206 -13.363 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.051 -13.783 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.727 -14.928 5.618 1.00 0.00 H new ATOM 659 N TYR A 43 -2.541 -10.677 5.585 1.00 0.00 N ATOM 660 CA TYR A 43 -2.137 -9.680 6.617 1.00 0.00 C ATOM 661 C TYR A 43 -3.051 -8.453 6.533 1.00 0.00 C ATOM 662 O TYR A 43 -3.408 -7.866 7.537 1.00 0.00 O ATOM 663 CB TYR A 43 -0.686 -9.314 6.289 1.00 0.00 C ATOM 664 CG TYR A 43 -0.341 -7.995 6.936 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.594 -6.798 6.257 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.218 -7.968 8.219 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.287 -5.574 6.861 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.529 -6.744 8.822 1.00 0.00 C ATOM 669 CZ TYR A 43 0.276 -5.547 8.142 1.00 0.00 C ATOM 670 OH TYR A 43 0.577 -4.338 8.738 1.00 0.00 O ATOM 0 H TYR A 43 -1.876 -10.814 4.824 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.221 -10.071 7.631 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.013 -10.094 6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.552 -9.248 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.026 -6.819 5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.409 -8.892 8.744 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.485 -4.650 6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.964 -6.723 9.810 1.00 0.00 H new ATOM 0 HH TYR A 43 0.960 -4.497 9.626 1.00 0.00 H new ATOM 680 N ALA A 44 -3.435 -8.061 5.347 1.00 0.00 N ATOM 681 CA ALA A 44 -4.330 -6.875 5.213 1.00 0.00 C ATOM 682 C ALA A 44 -5.767 -7.262 5.570 1.00 0.00 C ATOM 683 O ALA A 44 -6.493 -6.501 6.177 1.00 0.00 O ATOM 684 CB ALA A 44 -4.232 -6.467 3.744 1.00 0.00 C ATOM 0 H ALA A 44 -3.169 -8.508 4.470 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.043 -6.061 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.865 -5.598 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.198 -6.219 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.563 -7.293 3.114 1.00 0.00 H new ATOM 690 N GLN A 45 -6.184 -8.442 5.196 1.00 0.00 N ATOM 691 CA GLN A 45 -7.575 -8.882 5.506 1.00 0.00 C ATOM 692 C GLN A 45 -7.893 -8.707 6.989 1.00 0.00 C ATOM 693 O GLN A 45 -9.040 -8.745 7.385 1.00 0.00 O ATOM 694 CB GLN A 45 -7.621 -10.366 5.131 1.00 0.00 C ATOM 695 CG GLN A 45 -7.903 -10.489 3.643 1.00 0.00 C ATOM 696 CD GLN A 45 -7.822 -11.951 3.205 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.036 -12.261 2.216 1.00 0.00 O flip ATOM 698 NE2 GLN A 45 -8.479 -12.808 3.759 1.00 0.00 N flip ATOM 0 H GLN A 45 -5.619 -9.122 4.687 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.309 -8.291 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.674 -10.846 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.395 -10.876 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.892 -10.090 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.185 -9.894 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.093 -12.558 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.417 -13.778 3.450 1.00 0.00 H new ATOM 707 N THR A 46 -6.904 -8.543 7.821 1.00 0.00 N ATOM 708 CA THR A 46 -7.203 -8.404 9.272 1.00 0.00 C ATOM 709 C THR A 46 -6.557 -7.140 9.852 1.00 0.00 C ATOM 710 O THR A 46 -6.450 -6.987 11.053 1.00 0.00 O ATOM 711 CB THR A 46 -6.630 -9.674 9.918 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.271 -9.459 10.269 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.729 -10.848 8.930 1.00 0.00 C ATOM 0 H THR A 46 -5.917 -8.500 7.565 1.00 0.00 H new ATOM 0 HA THR A 46 -8.271 -8.301 9.461 1.00 0.00 H new ATOM 0 HB THR A 46 -7.202 -9.910 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.698 -9.670 9.503 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.322 -11.747 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.774 -11.016 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.162 -10.614 8.029 1.00 0.00 H new ATOM 721 N HIS A 47 -6.140 -6.226 9.018 1.00 0.00 N ATOM 722 CA HIS A 47 -5.522 -4.968 9.541 1.00 0.00 C ATOM 723 C HIS A 47 -5.732 -3.819 8.547 1.00 0.00 C ATOM 724 O HIS A 47 -5.062 -2.809 8.606 1.00 0.00 O ATOM 725 CB HIS A 47 -4.031 -5.287 9.696 1.00 0.00 C ATOM 726 CG HIS A 47 -3.820 -6.116 10.937 1.00 0.00 C ATOM 727 ND1 HIS A 47 -4.066 -7.480 10.967 1.00 0.00 N ATOM 728 CD2 HIS A 47 -3.391 -5.787 12.200 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.789 -7.917 12.209 1.00 0.00 C ATOM 730 NE2 HIS A 47 -3.373 -6.925 13.002 1.00 0.00 N ATOM 0 H HIS A 47 -6.199 -6.293 8.002 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.967 -4.652 10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.671 -5.826 8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.456 -4.364 9.761 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.397 -8.049 10.188 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.110 -4.795 12.522 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.890 -8.944 12.526 1.00 0.00 H new ATOM 738 N ARG A 48 -6.653 -3.974 7.631 1.00 0.00 N ATOM 739 CA ARG A 48 -6.899 -2.890 6.613 1.00 0.00 C ATOM 740 C ARG A 48 -6.839 -1.531 7.293 1.00 0.00 C ATOM 741 O ARG A 48 -6.084 -0.656 6.920 1.00 0.00 O ATOM 742 CB ARG A 48 -8.328 -3.076 6.075 1.00 0.00 C ATOM 743 CG ARG A 48 -8.755 -4.539 6.107 1.00 0.00 C ATOM 744 CD ARG A 48 -10.090 -4.685 5.379 1.00 0.00 C ATOM 745 NE ARG A 48 -11.119 -4.320 6.392 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.386 -4.329 6.074 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.759 -4.670 4.869 1.00 0.00 N ATOM 748 NH2 ARG A 48 -13.282 -4.004 6.966 1.00 0.00 N ATOM 0 H ARG A 48 -7.247 -4.798 7.538 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.153 -2.945 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.021 -2.481 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.384 -2.703 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.997 -5.162 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.849 -4.881 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.140 -4.029 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.234 -5.703 5.018 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.834 -4.062 7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.060 -4.930 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.749 -4.676 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.992 -3.744 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.272 -4.010 6.720 1.00 0.00 H new ATOM 762 N ASP A 49 -7.647 -1.360 8.290 1.00 0.00 N ATOM 763 CA ASP A 49 -7.671 -0.065 9.024 1.00 0.00 C ATOM 764 C ASP A 49 -6.344 0.142 9.755 1.00 0.00 C ATOM 765 O ASP A 49 -5.903 1.255 9.962 1.00 0.00 O ATOM 766 CB ASP A 49 -8.831 -0.199 10.009 1.00 0.00 C ATOM 767 CG ASP A 49 -10.139 -0.327 9.225 1.00 0.00 C ATOM 768 OD1 ASP A 49 -10.106 -0.136 8.020 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.150 -0.621 9.842 1.00 0.00 O ATOM 0 H ASP A 49 -8.299 -2.064 8.635 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.801 0.794 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.686 -1.073 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.869 0.670 10.666 1.00 0.00 H new ATOM 774 N GLN A 50 -5.702 -0.926 10.145 1.00 0.00 N ATOM 775 CA GLN A 50 -4.398 -0.795 10.858 1.00 0.00 C ATOM 776 C GLN A 50 -3.257 -0.577 9.858 1.00 0.00 C ATOM 777 O GLN A 50 -2.255 0.029 10.177 1.00 0.00 O ATOM 778 CB GLN A 50 -4.224 -2.118 11.606 1.00 0.00 C ATOM 779 CG GLN A 50 -5.340 -2.250 12.644 1.00 0.00 C ATOM 780 CD GLN A 50 -5.184 -3.567 13.404 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.183 -3.796 14.052 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.141 -4.449 13.349 1.00 0.00 N ATOM 0 H GLN A 50 -6.024 -1.883 10.001 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.381 0.060 11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.258 -2.954 10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.250 -2.150 12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.304 -1.411 13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.312 -2.215 12.153 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.982 -4.256 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.050 -5.333 13.850 1.00 0.00 H new ATOM 791 N ILE A 51 -3.397 -1.054 8.650 1.00 0.00 N ATOM 792 CA ILE A 51 -2.307 -0.852 7.653 1.00 0.00 C ATOM 793 C ILE A 51 -2.266 0.619 7.240 1.00 0.00 C ATOM 794 O ILE A 51 -3.153 1.115 6.570 1.00 0.00 O ATOM 795 CB ILE A 51 -2.658 -1.753 6.456 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.799 -3.222 6.901 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.548 -1.666 5.406 1.00 0.00 C ATOM 798 CD1 ILE A 51 -1.986 -3.487 8.177 1.00 0.00 C ATOM 0 H ILE A 51 -4.210 -1.570 8.313 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.325 -1.106 8.053 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.605 -1.412 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.849 -3.453 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.458 -3.882 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.798 -2.305 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.448 -0.635 5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.606 -1.996 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.101 -4.530 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.933 -3.277 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.346 -2.842 8.978 1.00 0.00 H new ATOM 810 N ASP A 52 -1.246 1.320 7.650 1.00 0.00 N ATOM 811 CA ASP A 52 -1.138 2.762 7.305 1.00 0.00 C ATOM 812 C ASP A 52 -0.710 2.940 5.847 1.00 0.00 C ATOM 813 O ASP A 52 -1.170 3.831 5.160 1.00 0.00 O ATOM 814 CB ASP A 52 -0.060 3.303 8.247 1.00 0.00 C ATOM 815 CG ASP A 52 -0.621 3.403 9.666 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.740 3.869 9.807 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.077 3.017 10.586 1.00 0.00 O ATOM 0 H ASP A 52 -0.479 0.952 8.213 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.089 3.284 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.810 2.647 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.275 4.283 7.908 1.00 0.00 H new ATOM 822 N CYS A 53 0.193 2.119 5.378 1.00 0.00 N ATOM 823 CA CYS A 53 0.672 2.270 3.972 1.00 0.00 C ATOM 824 C CYS A 53 1.044 0.910 3.364 1.00 0.00 C ATOM 825 O CYS A 53 1.592 0.059 4.031 1.00 0.00 O ATOM 826 CB CYS A 53 1.920 3.134 4.116 1.00 0.00 C ATOM 827 SG CYS A 53 2.051 4.266 2.709 1.00 0.00 S ATOM 0 H CYS A 53 0.617 1.355 5.904 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.085 2.700 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.876 3.700 5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.806 2.502 4.169 1.00 0.00 H new ATOM 0 HG CYS A 53 1.064 4.055 1.889 1.00 0.00 H new ATOM 833 N LEU A 54 0.763 0.700 2.100 1.00 0.00 N ATOM 834 CA LEU A 54 1.134 -0.616 1.472 1.00 0.00 C ATOM 835 C LEU A 54 2.161 -0.421 0.347 1.00 0.00 C ATOM 836 O LEU A 54 1.989 0.408 -0.523 1.00 0.00 O ATOM 837 CB LEU A 54 -0.170 -1.177 0.900 1.00 0.00 C ATOM 838 CG LEU A 54 0.134 -2.364 -0.025 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.782 -3.497 0.772 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.167 -2.879 -0.648 1.00 0.00 C ATOM 0 H LEU A 54 0.301 1.367 1.482 1.00 0.00 H new ATOM 0 HA LEU A 54 1.589 -1.287 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.826 -1.495 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.699 -0.400 0.348 1.00 0.00 H new ATOM 0 HG LEU A 54 0.815 -2.032 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.994 -4.334 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.712 -3.143 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.103 -3.822 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.948 -3.721 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.846 -3.201 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.634 -2.082 -1.226 1.00 0.00 H new ATOM 852 N ILE A 55 3.222 -1.191 0.336 1.00 0.00 N ATOM 853 CA ILE A 55 4.222 -1.035 -0.761 1.00 0.00 C ATOM 854 C ILE A 55 4.039 -2.164 -1.765 1.00 0.00 C ATOM 855 O ILE A 55 3.981 -3.322 -1.403 1.00 0.00 O ATOM 856 CB ILE A 55 5.586 -1.149 -0.098 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.689 -0.162 1.056 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.680 -0.843 -1.124 1.00 0.00 C ATOM 859 CD1 ILE A 55 6.930 -0.511 1.872 1.00 0.00 C ATOM 0 H ILE A 55 3.435 -1.909 1.028 1.00 0.00 H new ATOM 0 HA ILE A 55 4.112 -0.087 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 55 5.712 -2.162 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.757 0.858 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.797 -0.213 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.658 -0.925 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.616 -1.555 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.546 0.168 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.024 0.184 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.839 -1.527 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.814 -0.440 1.238 1.00 0.00 H new ATOM 871 N LEU A 56 3.934 -1.848 -3.017 1.00 0.00 N ATOM 872 CA LEU A 56 3.739 -2.919 -4.024 1.00 0.00 C ATOM 873 C LEU A 56 4.702 -2.765 -5.199 1.00 0.00 C ATOM 874 O LEU A 56 5.095 -1.673 -5.564 1.00 0.00 O ATOM 875 CB LEU A 56 2.301 -2.743 -4.492 1.00 0.00 C ATOM 876 CG LEU A 56 1.345 -3.230 -3.403 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.093 -3.041 -3.876 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.601 -4.713 -3.122 1.00 0.00 C ATOM 0 H LEU A 56 3.974 -0.899 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 56 3.931 -3.907 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.107 -1.694 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.136 -3.303 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 56 1.508 -2.657 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.779 -3.387 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.274 -1.985 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.255 -3.616 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.919 -5.059 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.437 -5.289 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.630 -4.848 -2.788 1.00 0.00 H new ATOM 890 N VAL A 57 5.060 -3.860 -5.806 1.00 0.00 N ATOM 891 CA VAL A 57 5.976 -3.807 -6.981 1.00 0.00 C ATOM 892 C VAL A 57 5.201 -4.208 -8.236 1.00 0.00 C ATOM 893 O VAL A 57 4.678 -5.299 -8.326 1.00 0.00 O ATOM 894 CB VAL A 57 7.077 -4.827 -6.693 1.00 0.00 C ATOM 895 CG1 VAL A 57 7.864 -5.094 -7.978 1.00 0.00 C ATOM 896 CG2 VAL A 57 8.029 -4.275 -5.626 1.00 0.00 C ATOM 0 H VAL A 57 4.756 -4.796 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 57 6.390 -2.811 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 57 6.627 -5.752 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.651 -5.821 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.192 -5.487 -8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.310 -4.164 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.812 -5.006 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.480 -3.350 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.473 -4.077 -4.710 1.00 0.00 H new ATOM 906 N ALA A 58 5.105 -3.339 -9.201 1.00 0.00 N ATOM 907 CA ALA A 58 4.344 -3.690 -10.433 1.00 0.00 C ATOM 908 C ALA A 58 5.110 -4.716 -11.274 1.00 0.00 C ATOM 909 O ALA A 58 4.528 -5.444 -12.056 1.00 0.00 O ATOM 910 CB ALA A 58 4.185 -2.376 -11.193 1.00 0.00 C ATOM 0 H ALA A 58 5.517 -2.406 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 58 3.381 -4.143 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.632 -2.554 -12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.640 -1.662 -10.575 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.169 -1.972 -11.432 1.00 0.00 H new ATOM 916 N ALA A 59 6.405 -4.786 -11.125 1.00 0.00 N ATOM 917 CA ALA A 59 7.189 -5.772 -11.927 1.00 0.00 C ATOM 918 C ALA A 59 6.640 -7.191 -11.725 1.00 0.00 C ATOM 919 O ALA A 59 6.941 -8.092 -12.481 1.00 0.00 O ATOM 920 CB ALA A 59 8.626 -5.665 -11.413 1.00 0.00 C ATOM 0 H ALA A 59 6.952 -4.208 -10.487 1.00 0.00 H new ATOM 0 HA ALA A 59 7.129 -5.565 -12.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.261 -6.363 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.991 -4.649 -11.563 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.651 -5.906 -10.350 1.00 0.00 H new ATOM 926 N ASN A 60 5.825 -7.398 -10.721 1.00 0.00 N ATOM 927 CA ASN A 60 5.254 -8.758 -10.499 1.00 0.00 C ATOM 928 C ASN A 60 4.191 -9.052 -11.566 1.00 0.00 C ATOM 929 O ASN A 60 3.700 -8.151 -12.216 1.00 0.00 O ATOM 930 CB ASN A 60 4.631 -8.696 -9.107 1.00 0.00 C ATOM 931 CG ASN A 60 5.715 -8.918 -8.050 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.624 -9.696 -8.252 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.655 -8.263 -6.919 1.00 0.00 N ATOM 0 H ASN A 60 5.533 -6.687 -10.050 1.00 0.00 H new ATOM 0 HA ASN A 60 6.001 -9.549 -10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.152 -7.729 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.854 -9.455 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.372 -8.407 -6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.891 -7.609 -6.748 1.00 0.00 H new ATOM 940 N PRO A 61 3.887 -10.312 -11.721 1.00 0.00 N ATOM 941 CA PRO A 61 2.894 -10.747 -12.732 1.00 0.00 C ATOM 942 C PRO A 61 1.463 -10.646 -12.193 1.00 0.00 C ATOM 943 O PRO A 61 0.691 -9.801 -12.603 1.00 0.00 O ATOM 944 CB PRO A 61 3.264 -12.205 -12.976 1.00 0.00 C ATOM 945 CG PRO A 61 3.959 -12.663 -11.726 1.00 0.00 C ATOM 946 CD PRO A 61 4.436 -11.442 -10.973 1.00 0.00 C ATOM 0 HA PRO A 61 2.916 -10.132 -13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.377 -12.806 -13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.915 -12.304 -13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.280 -13.249 -11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.801 -13.309 -11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.080 -11.447 -9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.524 -11.400 -10.933 1.00 0.00 H new ATOM 954 N SER A 62 1.103 -11.514 -11.291 1.00 0.00 N ATOM 955 CA SER A 62 -0.279 -11.488 -10.732 1.00 0.00 C ATOM 956 C SER A 62 -0.426 -10.365 -9.706 1.00 0.00 C ATOM 957 O SER A 62 -1.434 -10.252 -9.036 1.00 0.00 O ATOM 958 CB SER A 62 -0.465 -12.847 -10.059 1.00 0.00 C ATOM 959 OG SER A 62 0.629 -13.093 -9.185 1.00 0.00 O ATOM 0 H SER A 62 1.708 -12.244 -10.914 1.00 0.00 H new ATOM 0 HA SER A 62 -1.024 -11.307 -11.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.402 -12.864 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.528 -13.633 -10.812 1.00 0.00 H new ATOM 0 HG SER A 62 0.511 -13.964 -8.751 1.00 0.00 H new ATOM 965 N PHE A 63 0.565 -9.530 -9.576 1.00 0.00 N ATOM 966 CA PHE A 63 0.465 -8.424 -8.593 1.00 0.00 C ATOM 967 C PHE A 63 -0.851 -7.661 -8.789 1.00 0.00 C ATOM 968 O PHE A 63 -1.579 -7.418 -7.849 1.00 0.00 O ATOM 969 CB PHE A 63 1.682 -7.544 -8.880 1.00 0.00 C ATOM 970 CG PHE A 63 1.391 -6.125 -8.472 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.062 -5.837 -7.146 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.438 -5.102 -9.421 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.778 -4.525 -6.767 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.153 -3.787 -9.043 1.00 0.00 C ATOM 975 CZ PHE A 63 0.822 -3.496 -7.716 1.00 0.00 C ATOM 0 H PHE A 63 1.435 -9.567 -10.106 1.00 0.00 H new ATOM 0 HA PHE A 63 0.459 -8.770 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.549 -7.918 -8.336 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.929 -7.584 -9.941 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.027 -6.630 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.694 -5.327 -10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.524 -4.303 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.188 -2.995 -9.776 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.601 -2.480 -7.424 1.00 0.00 H new ATOM 985 N ARG A 64 -1.168 -7.282 -9.998 1.00 0.00 N ATOM 986 CA ARG A 64 -2.444 -6.546 -10.226 1.00 0.00 C ATOM 987 C ARG A 64 -3.617 -7.382 -9.703 1.00 0.00 C ATOM 988 O ARG A 64 -4.545 -6.865 -9.115 1.00 0.00 O ATOM 989 CB ARG A 64 -2.540 -6.366 -11.744 1.00 0.00 C ATOM 990 CG ARG A 64 -2.052 -4.965 -12.141 1.00 0.00 C ATOM 991 CD ARG A 64 -0.530 -4.861 -11.980 1.00 0.00 C ATOM 992 NE ARG A 64 -0.033 -4.411 -13.314 1.00 0.00 N ATOM 993 CZ ARG A 64 0.121 -5.266 -14.292 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.110 -6.538 -14.104 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.517 -4.846 -15.461 1.00 0.00 N ATOM 0 H ARG A 64 -0.604 -7.449 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.473 -5.587 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.940 -7.125 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.570 -6.507 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.330 -4.756 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.541 -4.214 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.263 -4.150 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.096 -5.821 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 64 0.189 -3.427 -13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.413 -6.872 -13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.013 -7.198 -14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.705 -3.855 -15.610 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.639 -5.509 -16.227 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.576 -8.674 -9.907 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.684 -9.541 -9.410 1.00 0.00 C ATOM 1011 C ALA A 65 -4.699 -9.530 -7.880 1.00 0.00 C ATOM 1012 O ALA A 65 -5.728 -9.382 -7.257 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.367 -10.940 -9.939 1.00 0.00 C ATOM 0 H ALA A 65 -2.826 -9.164 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.664 -9.200 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.140 -11.636 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.334 -10.918 -11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.401 -11.265 -9.553 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.560 -9.666 -7.267 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.520 -9.635 -5.783 1.00 0.00 C ATOM 1021 C VAL A 66 -4.034 -8.281 -5.300 1.00 0.00 C ATOM 1022 O VAL A 66 -4.755 -8.182 -4.325 1.00 0.00 O ATOM 1023 CB VAL A 66 -2.045 -9.825 -5.434 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.780 -9.371 -3.996 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.696 -11.305 -5.569 1.00 0.00 C ATOM 0 H VAL A 66 -2.659 -9.797 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.140 -10.399 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.432 -9.229 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.725 -9.511 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.038 -8.317 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.388 -9.961 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.645 -11.455 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.315 -11.888 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.878 -11.630 -6.593 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.673 -7.240 -5.994 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.136 -5.884 -5.606 1.00 0.00 C ATOM 1037 C VAL A 67 -5.663 -5.811 -5.663 1.00 0.00 C ATOM 1038 O VAL A 67 -6.293 -5.309 -4.753 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.500 -4.951 -6.638 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -4.202 -3.593 -6.625 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.026 -4.749 -6.287 1.00 0.00 C ATOM 0 H VAL A 67 -3.073 -7.272 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.853 -5.616 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.597 -5.396 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.740 -2.938 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.256 -3.726 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.110 -3.145 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.566 -4.085 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.946 -4.307 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.514 -5.711 -6.298 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.275 -6.299 -6.711 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.761 -6.228 -6.763 1.00 0.00 C ATOM 1053 C GLN A 68 -8.312 -6.931 -5.527 1.00 0.00 C ATOM 1054 O GLN A 68 -9.275 -6.499 -4.931 1.00 0.00 O ATOM 1055 CB GLN A 68 -8.191 -6.918 -8.075 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.545 -8.396 -7.850 1.00 0.00 C ATOM 1057 CD GLN A 68 -9.336 -8.912 -9.053 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -8.768 -9.234 -10.077 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -10.637 -9.004 -8.972 1.00 0.00 N ATOM 0 H GLN A 68 -5.821 -6.734 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.144 -5.207 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.052 -6.397 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.386 -6.844 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.637 -8.984 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.132 -8.507 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.115 -8.734 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.175 -9.346 -9.768 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.687 -8.003 -5.123 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.160 -8.715 -3.909 1.00 0.00 C ATOM 1070 C GLN A 69 -8.217 -7.717 -2.746 1.00 0.00 C ATOM 1071 O GLN A 69 -9.234 -7.563 -2.101 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.107 -9.796 -3.660 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.659 -10.850 -2.698 1.00 0.00 C ATOM 1074 CD GLN A 69 -7.605 -12.223 -3.370 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -6.577 -12.868 -3.379 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.678 -12.695 -3.938 1.00 0.00 N ATOM 0 H GLN A 69 -6.873 -8.413 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.154 -9.149 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.824 -10.264 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.205 -9.348 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.076 -10.860 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.685 -10.607 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.541 -12.151 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.655 -13.608 -4.391 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.143 -7.004 -2.498 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.170 -5.993 -1.401 1.00 0.00 C ATOM 1087 C LEU A 70 -8.394 -5.099 -1.598 1.00 0.00 C ATOM 1088 O LEU A 70 -9.232 -4.963 -0.729 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.886 -5.168 -1.565 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.745 -5.801 -0.765 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.465 -5.776 -1.597 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.515 -5.006 0.522 1.00 0.00 C ATOM 0 H LEU A 70 -6.260 -7.079 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.225 -6.446 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.613 -5.112 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.055 -4.146 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.008 -6.830 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.652 -6.227 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.619 -6.339 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.209 -4.745 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.702 -5.459 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.254 -3.977 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.425 -5.014 1.122 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.502 -4.507 -2.757 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.670 -3.626 -3.053 1.00 0.00 C ATOM 1106 C CYS A 71 -10.979 -4.424 -2.985 1.00 0.00 C ATOM 1107 O CYS A 71 -11.985 -3.944 -2.500 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.432 -3.136 -4.483 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.973 -2.065 -4.524 1.00 0.00 S ATOM 0 H CYS A 71 -7.827 -4.596 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.758 -2.809 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.290 -3.986 -5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.305 -2.591 -4.842 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.185 -2.367 -3.535 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.975 -5.634 -3.479 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.219 -6.459 -3.459 1.00 0.00 C ATOM 1117 C PHE A 72 -12.779 -6.538 -2.039 1.00 0.00 C ATOM 1118 O PHE A 72 -13.944 -6.280 -1.807 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.787 -7.845 -3.940 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.984 -8.761 -3.954 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.061 -8.487 -4.808 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.028 -9.877 -3.108 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.177 -9.330 -4.820 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.146 -10.719 -3.119 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.221 -10.445 -3.973 1.00 0.00 C ATOM 0 H PHE A 72 -10.162 -6.088 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.002 -6.035 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.354 -7.778 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.015 -8.246 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.029 -7.624 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.200 -10.087 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.004 -9.121 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.179 -11.580 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.085 -11.094 -3.979 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.959 -6.871 -1.083 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.457 -6.942 0.317 1.00 0.00 C ATOM 1137 C GLU A 73 -12.658 -5.522 0.849 1.00 0.00 C ATOM 1138 O GLU A 73 -13.273 -5.313 1.877 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.370 -7.686 1.098 1.00 0.00 C ATOM 1140 CG GLU A 73 -11.117 -9.045 0.440 1.00 0.00 C ATOM 1141 CD GLU A 73 -12.084 -10.085 1.014 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -12.356 -10.019 2.201 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -12.536 -10.930 0.258 1.00 0.00 O ATOM 0 H GLU A 73 -10.972 -7.096 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.414 -7.456 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.451 -7.100 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.679 -7.822 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.250 -8.968 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.087 -9.357 0.613 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.154 -4.542 0.144 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.326 -3.132 0.593 1.00 0.00 C ATOM 1152 C GLY A 74 -11.037 -2.621 1.240 1.00 0.00 C ATOM 1153 O GLY A 74 -10.996 -1.531 1.773 1.00 0.00 O ATOM 0 H GLY A 74 -11.631 -4.660 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.589 -2.502 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.149 -3.067 1.305 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.981 -3.392 1.203 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.708 -2.927 1.822 1.00 0.00 C ATOM 1159 C VAL A 75 -8.043 -1.866 0.938 1.00 0.00 C ATOM 1160 O VAL A 75 -7.316 -2.179 0.016 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.830 -4.174 1.908 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.633 -3.890 2.817 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.645 -5.334 2.481 1.00 0.00 C ATOM 0 H VAL A 75 -9.946 -4.317 0.774 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.869 -2.472 2.799 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.475 -4.440 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.005 -4.779 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.053 -3.064 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.987 -3.625 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.018 -6.224 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.001 -5.071 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.498 -5.535 1.832 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.281 -0.613 1.216 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.654 0.466 0.394 1.00 0.00 C ATOM 1175 C VAL A 76 -6.738 1.322 1.281 1.00 0.00 C ATOM 1176 O VAL A 76 -7.158 1.863 2.283 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.826 1.289 -0.145 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.345 2.166 -1.302 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -9.918 0.350 -0.657 1.00 0.00 C ATOM 0 H VAL A 76 -8.881 -0.288 1.975 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.038 0.076 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.222 1.915 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.180 2.752 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.562 2.837 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.949 1.534 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.752 0.937 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.516 -0.274 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.265 -0.284 0.159 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.485 1.435 0.925 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.529 2.242 1.751 1.00 0.00 C ATOM 1191 C VAL A 77 -3.606 3.050 0.844 1.00 0.00 C ATOM 1192 O VAL A 77 -3.535 2.792 -0.334 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.697 1.205 2.506 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.542 0.559 3.596 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.224 0.126 1.523 1.00 0.00 C ATOM 0 H VAL A 77 -5.078 1.003 0.095 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.047 2.938 2.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.836 1.694 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.944 -0.179 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.883 1.324 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.405 0.069 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.630 -0.616 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.089 -0.358 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.616 0.585 0.743 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.887 3.973 1.421 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.935 4.767 0.623 1.00 0.00 C ATOM 1207 C PRO A 78 -0.833 3.829 0.160 1.00 0.00 C ATOM 1208 O PRO A 78 0.166 3.635 0.824 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.422 5.818 1.595 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.651 5.233 2.950 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.869 4.348 2.838 1.00 0.00 C ATOM 0 HA PRO A 78 -2.358 5.238 -0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.365 6.028 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.957 6.760 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.784 4.659 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.809 6.018 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.791 3.474 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.778 4.877 3.125 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.048 3.198 -0.949 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.065 2.210 -1.443 1.00 0.00 C ATOM 1221 C ALA A 79 0.891 2.814 -2.467 1.00 0.00 C ATOM 1222 O ALA A 79 0.496 3.530 -3.366 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.939 1.143 -2.077 1.00 0.00 C ATOM 0 H ALA A 79 -1.869 3.325 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 79 0.580 1.831 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.310 0.350 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.608 0.726 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.527 1.585 -2.881 1.00 0.00 H new ATOM 1229 N ILE A 80 2.149 2.521 -2.321 1.00 0.00 N ATOM 1230 CA ILE A 80 3.167 3.051 -3.258 1.00 0.00 C ATOM 1231 C ILE A 80 3.589 1.940 -4.228 1.00 0.00 C ATOM 1232 O ILE A 80 4.092 0.912 -3.823 1.00 0.00 O ATOM 1233 CB ILE A 80 4.319 3.454 -2.337 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.760 4.273 -1.170 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.334 4.295 -3.110 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.878 4.600 -0.181 1.00 0.00 C ATOM 0 H ILE A 80 2.519 1.927 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 80 2.820 3.883 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 80 4.814 2.559 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.312 5.194 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.970 3.714 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.152 4.578 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.728 3.714 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.848 5.193 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.473 5.183 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.307 3.674 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.653 5.177 -0.686 1.00 0.00 H new ATOM 1248 N VAL A 81 3.376 2.127 -5.503 1.00 0.00 N ATOM 1249 CA VAL A 81 3.751 1.067 -6.488 1.00 0.00 C ATOM 1250 C VAL A 81 5.142 1.342 -7.076 1.00 0.00 C ATOM 1251 O VAL A 81 5.551 2.476 -7.217 1.00 0.00 O ATOM 1252 CB VAL A 81 2.668 1.142 -7.565 1.00 0.00 C ATOM 1253 CG1 VAL A 81 3.061 0.268 -8.757 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.344 0.643 -6.976 1.00 0.00 C ATOM 0 H VAL A 81 2.959 2.966 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 81 3.807 0.077 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 81 2.558 2.173 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.286 0.325 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.006 0.621 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.172 -0.766 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.565 0.693 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.460 -0.388 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.064 1.269 -6.129 1.00 0.00 H new ATOM 1264 N VAL A 82 5.879 0.307 -7.405 1.00 0.00 N ATOM 1265 CA VAL A 82 7.251 0.511 -7.964 1.00 0.00 C ATOM 1266 C VAL A 82 7.384 -0.127 -9.352 1.00 0.00 C ATOM 1267 O VAL A 82 6.670 -1.050 -9.696 1.00 0.00 O ATOM 1268 CB VAL A 82 8.196 -0.189 -6.983 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.619 0.327 -7.193 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.759 0.099 -5.545 1.00 0.00 C ATOM 0 H VAL A 82 5.590 -0.667 -7.310 1.00 0.00 H new ATOM 0 HA VAL A 82 7.475 1.571 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 82 8.165 -1.264 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.293 -0.170 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.935 0.117 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.645 1.403 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.435 -0.402 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.785 1.174 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.745 -0.270 -5.392 1.00 0.00 H new ATOM 1280 N GLY A 83 8.310 0.351 -10.145 1.00 0.00 N ATOM 1281 CA GLY A 83 8.512 -0.231 -11.505 1.00 0.00 C ATOM 1282 C GLY A 83 7.392 0.230 -12.440 1.00 0.00 C ATOM 1283 O GLY A 83 6.676 -0.573 -13.003 1.00 0.00 O ATOM 0 H GLY A 83 8.936 1.121 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.479 0.077 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.524 -1.319 -11.446 1.00 0.00 H new ATOM 1287 N ASP A 84 7.235 1.514 -12.613 1.00 0.00 N ATOM 1288 CA ASP A 84 6.155 2.014 -13.514 1.00 0.00 C ATOM 1289 C ASP A 84 6.743 2.885 -14.628 1.00 0.00 C ATOM 1290 O ASP A 84 7.607 3.709 -14.396 1.00 0.00 O ATOM 1291 CB ASP A 84 5.245 2.847 -12.612 1.00 0.00 C ATOM 1292 CG ASP A 84 6.056 3.971 -11.966 1.00 0.00 C ATOM 1293 OD1 ASP A 84 6.236 4.990 -12.610 1.00 0.00 O ATOM 1294 OD2 ASP A 84 6.486 3.793 -10.838 1.00 0.00 O ATOM 0 H ASP A 84 7.804 2.236 -12.172 1.00 0.00 H new ATOM 0 HA ASP A 84 5.620 1.199 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.423 3.265 -13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.802 2.215 -11.842 1.00 0.00 H new ATOM 1299 N ARG A 85 6.274 2.713 -15.834 1.00 0.00 N ATOM 1300 CA ARG A 85 6.795 3.531 -16.963 1.00 0.00 C ATOM 1301 C ARG A 85 5.743 4.544 -17.411 1.00 0.00 C ATOM 1302 O ARG A 85 4.592 4.473 -17.032 1.00 0.00 O ATOM 1303 CB ARG A 85 7.068 2.534 -18.088 1.00 0.00 C ATOM 1304 CG ARG A 85 8.221 1.616 -17.692 1.00 0.00 C ATOM 1305 CD ARG A 85 8.793 0.952 -18.944 1.00 0.00 C ATOM 1306 NE ARG A 85 7.736 0.008 -19.399 1.00 0.00 N ATOM 1307 CZ ARG A 85 8.011 -0.901 -20.298 1.00 0.00 C ATOM 1308 NH1 ARG A 85 9.198 -0.946 -20.840 1.00 0.00 N ATOM 1309 NH2 ARG A 85 7.096 -1.762 -20.657 1.00 0.00 N ATOM 0 H ARG A 85 5.551 2.039 -16.085 1.00 0.00 H new ATOM 0 HA ARG A 85 7.687 4.090 -16.682 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.174 1.944 -18.290 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.313 3.066 -19.007 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.997 2.187 -17.183 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.872 0.857 -16.991 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.020 1.690 -19.713 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.722 0.427 -18.722 1.00 0.00 H new ATOM 0 HE ARG A 85 6.796 0.070 -19.009 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.911 -0.272 -20.562 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.412 -1.655 -21.541 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.168 -1.725 -20.236 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.310 -2.471 -21.358 1.00 0.00 H new ATOM 1323 N ASP A 86 6.136 5.480 -18.227 1.00 0.00 N ATOM 1324 CA ASP A 86 5.171 6.501 -18.723 1.00 0.00 C ATOM 1325 C ASP A 86 5.171 6.509 -20.252 1.00 0.00 C ATOM 1326 O ASP A 86 4.857 7.503 -20.873 1.00 0.00 O ATOM 1327 CB ASP A 86 5.691 7.834 -18.190 1.00 0.00 C ATOM 1328 CG ASP A 86 7.079 8.108 -18.776 1.00 0.00 C ATOM 1329 OD1 ASP A 86 7.144 8.620 -19.884 1.00 0.00 O ATOM 1330 OD2 ASP A 86 8.051 7.801 -18.109 1.00 0.00 O ATOM 0 H ASP A 86 7.090 5.583 -18.574 1.00 0.00 H new ATOM 0 HA ASP A 86 4.151 6.302 -18.395 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.006 8.638 -18.458 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.742 7.808 -17.101 1.00 0.00 H new ATOM 1335 N SER A 87 5.532 5.411 -20.862 1.00 0.00 N ATOM 1336 CA SER A 87 5.562 5.367 -22.351 1.00 0.00 C ATOM 1337 C SER A 87 4.326 6.071 -22.912 1.00 0.00 C ATOM 1338 O SER A 87 3.228 5.912 -22.413 1.00 0.00 O ATOM 1339 CB SER A 87 5.548 3.883 -22.710 1.00 0.00 C ATOM 1340 OG SER A 87 6.876 3.380 -22.673 1.00 0.00 O ATOM 0 H SER A 87 5.806 4.547 -20.395 1.00 0.00 H new ATOM 0 HA SER A 87 6.436 5.870 -22.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.919 3.333 -22.010 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.120 3.741 -23.702 1.00 0.00 H new ATOM 0 HG SER A 87 6.871 2.427 -22.901 1.00 0.00 H new ATOM 1346 N GLU A 88 4.497 6.859 -23.937 1.00 0.00 N ATOM 1347 CA GLU A 88 3.335 7.586 -24.517 1.00 0.00 C ATOM 1348 C GLU A 88 2.273 6.597 -25.004 1.00 0.00 C ATOM 1349 O GLU A 88 1.105 6.920 -25.083 1.00 0.00 O ATOM 1350 CB GLU A 88 3.916 8.374 -25.691 1.00 0.00 C ATOM 1351 CG GLU A 88 4.323 7.410 -26.809 1.00 0.00 C ATOM 1352 CD GLU A 88 5.409 8.059 -27.667 1.00 0.00 C ATOM 1353 OE1 GLU A 88 6.317 8.645 -27.098 1.00 0.00 O ATOM 1354 OE2 GLU A 88 5.315 7.959 -28.880 1.00 0.00 O ATOM 0 H GLU A 88 5.391 7.030 -24.397 1.00 0.00 H new ATOM 0 HA GLU A 88 2.847 8.233 -23.789 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.180 9.087 -26.063 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.781 8.951 -25.362 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.690 6.476 -26.383 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.458 7.162 -27.424 1.00 0.00 H new ATOM 1361 N ASP A 89 2.675 5.396 -25.331 1.00 0.00 N ATOM 1362 CA ASP A 89 1.699 4.374 -25.815 1.00 0.00 C ATOM 1363 C ASP A 89 0.383 4.492 -25.041 1.00 0.00 C ATOM 1364 O ASP A 89 0.313 4.153 -23.876 1.00 0.00 O ATOM 1365 CB ASP A 89 2.375 3.028 -25.531 1.00 0.00 C ATOM 1366 CG ASP A 89 1.932 1.996 -26.569 1.00 0.00 C ATOM 1367 OD1 ASP A 89 1.896 2.339 -27.739 1.00 0.00 O ATOM 1368 OD2 ASP A 89 1.640 0.877 -26.176 1.00 0.00 O ATOM 0 H ASP A 89 3.643 5.078 -25.283 1.00 0.00 H new ATOM 0 HA ASP A 89 1.455 4.496 -26.870 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.459 3.142 -25.558 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.115 2.685 -24.530 1.00 0.00 H new ATOM 1373 N PRO A 90 -0.618 4.982 -25.720 1.00 0.00 N ATOM 1374 CA PRO A 90 -1.945 5.162 -25.089 1.00 0.00 C ATOM 1375 C PRO A 90 -2.602 3.804 -24.845 1.00 0.00 C ATOM 1376 O PRO A 90 -3.525 3.680 -24.063 1.00 0.00 O ATOM 1377 CB PRO A 90 -2.730 5.967 -26.120 1.00 0.00 C ATOM 1378 CG PRO A 90 -2.066 5.668 -27.425 1.00 0.00 C ATOM 1379 CD PRO A 90 -0.613 5.405 -27.126 1.00 0.00 C ATOM 0 HA PRO A 90 -1.896 5.658 -24.120 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.780 5.674 -26.134 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.699 7.033 -25.896 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.525 4.802 -27.902 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.173 6.506 -28.114 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.204 4.631 -27.776 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -0.006 6.298 -27.273 1.00 0.00 H new ATOM 1387 N ASP A 91 -2.125 2.782 -25.498 1.00 0.00 N ATOM 1388 CA ASP A 91 -2.719 1.432 -25.302 1.00 0.00 C ATOM 1389 C ASP A 91 -2.586 1.007 -23.835 1.00 0.00 C ATOM 1390 O ASP A 91 -3.467 0.375 -23.286 1.00 0.00 O ATOM 1391 CB ASP A 91 -1.906 0.509 -26.211 1.00 0.00 C ATOM 1392 CG ASP A 91 -2.314 0.741 -27.667 1.00 0.00 C ATOM 1393 OD1 ASP A 91 -3.383 0.286 -28.040 1.00 0.00 O ATOM 1394 OD2 ASP A 91 -1.554 1.372 -28.382 1.00 0.00 O ATOM 0 H ASP A 91 -1.349 2.824 -26.159 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.782 1.404 -25.543 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.841 0.703 -26.085 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.075 -0.532 -25.936 1.00 0.00 H new ATOM 1399 N GLU A 92 -1.496 1.345 -23.198 1.00 0.00 N ATOM 1400 CA GLU A 92 -1.319 0.950 -21.764 1.00 0.00 C ATOM 1401 C GLU A 92 -1.142 2.188 -20.870 1.00 0.00 C ATOM 1402 O GLU A 92 -0.043 2.667 -20.680 1.00 0.00 O ATOM 1403 CB GLU A 92 -0.058 0.082 -21.743 1.00 0.00 C ATOM 1404 CG GLU A 92 -0.427 -1.357 -22.111 1.00 0.00 C ATOM 1405 CD GLU A 92 0.685 -1.974 -22.959 1.00 0.00 C ATOM 1406 OE1 GLU A 92 0.867 -1.527 -24.079 1.00 0.00 O ATOM 1407 OE2 GLU A 92 1.337 -2.886 -22.474 1.00 0.00 O ATOM 0 H GLU A 92 -0.724 1.874 -23.603 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.189 0.418 -21.380 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.677 0.472 -22.447 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.400 0.110 -20.754 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.577 -1.947 -21.207 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.368 -1.372 -22.661 1.00 0.00 H new ATOM 1414 N PRO A 93 -2.248 2.653 -20.346 1.00 0.00 N ATOM 1415 CA PRO A 93 -2.248 3.845 -19.449 1.00 0.00 C ATOM 1416 C PRO A 93 -1.718 3.478 -18.056 1.00 0.00 C ATOM 1417 O PRO A 93 -2.435 3.524 -17.074 1.00 0.00 O ATOM 1418 CB PRO A 93 -3.720 4.226 -19.367 1.00 0.00 C ATOM 1419 CG PRO A 93 -4.460 2.958 -19.645 1.00 0.00 C ATOM 1420 CD PRO A 93 -3.596 2.118 -20.545 1.00 0.00 C ATOM 0 HA PRO A 93 -1.613 4.651 -19.817 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.971 4.623 -18.383 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.970 4.997 -20.095 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.675 2.428 -18.717 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.418 3.169 -20.121 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.650 1.063 -20.278 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.908 2.199 -21.586 1.00 0.00 H new ATOM 1428 N ALA A 94 -0.474 3.114 -17.971 1.00 0.00 N ATOM 1429 CA ALA A 94 0.125 2.733 -16.652 1.00 0.00 C ATOM 1430 C ALA A 94 -0.073 3.839 -15.609 1.00 0.00 C ATOM 1431 O ALA A 94 0.033 3.611 -14.421 1.00 0.00 O ATOM 1432 CB ALA A 94 1.618 2.560 -16.935 1.00 0.00 C ATOM 0 H ALA A 94 0.166 3.061 -18.763 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.341 1.833 -16.250 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.132 2.279 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.759 1.779 -17.682 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.029 3.498 -17.309 1.00 0.00 H new ATOM 1438 N LYS A 95 -0.329 5.035 -16.048 1.00 0.00 N ATOM 1439 CA LYS A 95 -0.496 6.167 -15.092 1.00 0.00 C ATOM 1440 C LYS A 95 -1.609 5.903 -14.073 1.00 0.00 C ATOM 1441 O LYS A 95 -1.567 6.409 -12.968 1.00 0.00 O ATOM 1442 CB LYS A 95 -0.829 7.367 -15.974 1.00 0.00 C ATOM 1443 CG LYS A 95 0.342 7.620 -16.925 1.00 0.00 C ATOM 1444 CD LYS A 95 0.031 8.823 -17.812 1.00 0.00 C ATOM 1445 CE LYS A 95 0.306 10.110 -17.034 1.00 0.00 C ATOM 1446 NZ LYS A 95 0.423 11.166 -18.076 1.00 0.00 N ATOM 0 H LYS A 95 -0.431 5.282 -17.032 1.00 0.00 H new ATOM 0 HA LYS A 95 0.402 6.324 -14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.741 7.178 -16.540 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.013 8.248 -15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.253 7.801 -16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.521 6.738 -17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.643 8.792 -18.714 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.011 8.794 -18.132 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.502 10.331 -16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.221 10.030 -16.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.612 12.082 -17.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.204 10.932 -18.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.465 11.223 -18.614 1.00 0.00 H new ATOM 1460 N GLU A 96 -2.608 5.135 -14.409 1.00 0.00 N ATOM 1461 CA GLU A 96 -3.693 4.892 -13.411 1.00 0.00 C ATOM 1462 C GLU A 96 -4.028 3.400 -13.280 1.00 0.00 C ATOM 1463 O GLU A 96 -4.814 2.863 -14.032 1.00 0.00 O ATOM 1464 CB GLU A 96 -4.896 5.665 -13.944 1.00 0.00 C ATOM 1465 CG GLU A 96 -4.475 7.100 -14.263 1.00 0.00 C ATOM 1466 CD GLU A 96 -5.712 7.994 -14.302 1.00 0.00 C ATOM 1467 OE1 GLU A 96 -6.300 8.109 -15.362 1.00 0.00 O ATOM 1468 OE2 GLU A 96 -6.054 8.545 -13.267 1.00 0.00 O ATOM 0 H GLU A 96 -2.722 4.673 -15.311 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.393 5.216 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.286 5.181 -14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.698 5.665 -13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.775 7.461 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.957 7.134 -15.222 1.00 0.00 H new ATOM 1475 N GLN A 97 -3.460 2.736 -12.303 1.00 0.00 N ATOM 1476 CA GLN A 97 -3.768 1.284 -12.091 1.00 0.00 C ATOM 1477 C GLN A 97 -2.915 0.711 -10.950 1.00 0.00 C ATOM 1478 O GLN A 97 -2.378 1.443 -10.146 1.00 0.00 O ATOM 1479 CB GLN A 97 -3.470 0.575 -13.414 1.00 0.00 C ATOM 1480 CG GLN A 97 -2.083 0.953 -13.919 1.00 0.00 C ATOM 1481 CD GLN A 97 -1.932 0.482 -15.364 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -2.773 0.753 -16.199 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -0.883 -0.218 -15.697 1.00 0.00 N ATOM 0 H GLN A 97 -2.795 3.136 -11.641 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.810 1.140 -11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.532 -0.505 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.221 0.846 -14.156 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.942 2.032 -13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.317 0.496 -13.292 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.178 -0.445 -14.996 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.768 -0.538 -16.659 1.00 0.00 H new ATOM 1492 N LEU A 98 -2.816 -0.598 -10.864 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.034 -1.268 -9.777 1.00 0.00 C ATOM 1494 C LEU A 98 -2.768 -1.173 -8.440 1.00 0.00 C ATOM 1495 O LEU A 98 -2.522 -1.937 -7.535 1.00 0.00 O ATOM 1496 CB LEU A 98 -0.711 -0.537 -9.711 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.152 -0.382 -11.116 1.00 0.00 C ATOM 1498 CD1 LEU A 98 1.237 0.213 -11.025 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.074 -1.749 -11.800 1.00 0.00 C ATOM 0 H LEU A 98 -3.257 -1.243 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.897 -2.330 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.846 0.442 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.008 -1.089 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.803 0.270 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.649 0.329 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.184 1.187 -10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.879 -0.449 -10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.327 -1.630 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.578 -2.407 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.071 -2.185 -11.857 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.664 -0.241 -8.314 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.430 -0.097 -7.042 1.00 0.00 C ATOM 1513 C TYR A 99 -5.456 1.029 -7.200 1.00 0.00 C ATOM 1514 O TYR A 99 -6.084 1.158 -8.233 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.378 0.240 -5.990 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.814 -0.235 -4.612 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -4.636 -1.364 -4.453 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -3.368 0.451 -3.483 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.002 -1.796 -3.170 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.741 0.021 -2.199 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.556 -1.103 -2.045 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.909 -1.538 -0.780 1.00 0.00 O ATOM 0 H TYR A 99 -3.903 0.434 -9.040 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.986 -0.993 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.430 -0.227 -6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.209 1.317 -5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.987 -1.901 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.733 1.317 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.630 -2.667 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.397 0.560 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.874 -1.708 -0.750 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.642 1.849 -6.204 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.637 2.951 -6.352 1.00 0.00 C ATOM 1534 C HIS A 100 -5.956 4.208 -6.903 1.00 0.00 C ATOM 1535 O HIS A 100 -4.747 4.279 -6.992 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.204 3.198 -4.952 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.084 3.363 -3.968 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.513 4.608 -3.695 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.417 2.460 -3.175 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.550 4.421 -2.773 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.475 3.145 -2.443 1.00 0.00 N ATOM 0 H HIS A 100 -5.158 1.808 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.430 2.691 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.830 4.090 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.840 2.364 -4.656 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.601 1.397 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.928 5.203 -2.362 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.831 2.738 -1.764 1.00 0.00 H new ATOM 1549 N SER A 101 -6.722 5.189 -7.289 1.00 0.00 N ATOM 1550 CA SER A 101 -6.120 6.434 -7.853 1.00 0.00 C ATOM 1551 C SER A 101 -5.315 7.182 -6.784 1.00 0.00 C ATOM 1552 O SER A 101 -4.648 8.156 -7.069 1.00 0.00 O ATOM 1553 CB SER A 101 -7.312 7.276 -8.307 1.00 0.00 C ATOM 1554 OG SER A 101 -6.872 8.242 -9.251 1.00 0.00 O ATOM 0 H SER A 101 -7.741 5.185 -7.239 1.00 0.00 H new ATOM 0 HA SER A 101 -5.430 6.219 -8.669 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.075 6.637 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.770 7.770 -7.450 1.00 0.00 H new ATOM 0 HG SER A 101 -7.634 8.783 -9.545 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.378 6.746 -5.557 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.622 7.453 -4.483 1.00 0.00 C ATOM 1562 C ALA A 102 -3.222 6.855 -4.307 1.00 0.00 C ATOM 1563 O ALA A 102 -2.306 7.533 -3.890 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.456 7.261 -3.218 1.00 0.00 C ATOM 0 H ALA A 102 -5.917 5.936 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.474 8.506 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.964 7.754 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.445 7.695 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.555 6.197 -3.005 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.039 5.597 -4.609 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.688 4.988 -4.442 1.00 0.00 C ATOM 1572 C GLU A 103 -0.637 5.847 -5.155 1.00 0.00 C ATOM 1573 O GLU A 103 -0.921 6.497 -6.141 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.800 3.575 -5.057 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.231 3.529 -6.489 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.250 4.112 -7.470 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -2.422 5.320 -7.467 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -2.838 3.341 -8.209 1.00 0.00 O ATOM 0 H GLU A 103 -3.761 4.969 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.375 4.930 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.265 2.862 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.845 3.266 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.300 4.094 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.995 2.501 -6.764 1.00 0.00 H new ATOM 1585 N LEU A 104 0.573 5.843 -4.671 1.00 0.00 N ATOM 1586 CA LEU A 104 1.639 6.646 -5.332 1.00 0.00 C ATOM 1587 C LEU A 104 2.576 5.719 -6.107 1.00 0.00 C ATOM 1588 O LEU A 104 2.751 4.570 -5.759 1.00 0.00 O ATOM 1589 CB LEU A 104 2.393 7.341 -4.197 1.00 0.00 C ATOM 1590 CG LEU A 104 1.752 8.699 -3.916 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.385 8.490 -3.268 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.648 9.505 -2.975 1.00 0.00 C ATOM 0 H LEU A 104 0.870 5.319 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 104 1.232 7.367 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.370 6.723 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.441 7.471 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 104 1.631 9.244 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.074 9.458 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.254 7.919 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.506 7.944 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.189 10.473 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.772 8.963 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.623 9.654 -3.440 1.00 0.00 H new ATOM 1604 N HIS A 105 3.176 6.202 -7.157 1.00 0.00 N ATOM 1605 CA HIS A 105 4.097 5.331 -7.942 1.00 0.00 C ATOM 1606 C HIS A 105 5.551 5.749 -7.710 1.00 0.00 C ATOM 1607 O HIS A 105 5.881 6.919 -7.706 1.00 0.00 O ATOM 1608 CB HIS A 105 3.720 5.547 -9.403 1.00 0.00 C ATOM 1609 CG HIS A 105 2.245 5.325 -9.593 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.580 5.720 -10.745 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.292 4.746 -8.790 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.284 5.379 -10.603 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.054 4.782 -9.430 1.00 0.00 N ATOM 0 H HIS A 105 3.071 7.155 -7.505 1.00 0.00 H new ATOM 0 HA HIS A 105 4.008 4.285 -7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.986 6.558 -9.710 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.284 4.863 -10.037 1.00 0.00 H new ATOM 0 HD1 HIS A 105 1.996 6.184 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.474 4.327 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.476 5.566 -11.347 1.00 0.00 H new ATOM 1621 N LEU A 106 6.427 4.800 -7.522 1.00 0.00 N ATOM 1622 CA LEU A 106 7.858 5.150 -7.292 1.00 0.00 C ATOM 1623 C LEU A 106 8.764 4.410 -8.280 1.00 0.00 C ATOM 1624 O LEU A 106 8.538 3.263 -8.607 1.00 0.00 O ATOM 1625 CB LEU A 106 8.162 4.709 -5.860 1.00 0.00 C ATOM 1626 CG LEU A 106 9.608 5.076 -5.528 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.824 6.560 -5.820 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.884 4.803 -4.047 1.00 0.00 C ATOM 0 H LEU A 106 6.216 3.802 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 106 8.037 6.215 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.480 5.195 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.012 3.634 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 106 10.286 4.476 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.854 6.831 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.628 6.756 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.145 7.154 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.916 5.066 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.210 5.402 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.723 3.746 -3.836 1.00 0.00 H new ATOM 1640 N GLY A 107 9.789 5.062 -8.757 1.00 0.00 N ATOM 1641 CA GLY A 107 10.712 4.401 -9.723 1.00 0.00 C ATOM 1642 C GLY A 107 11.544 3.339 -8.999 1.00 0.00 C ATOM 1643 O GLY A 107 11.865 3.476 -7.835 1.00 0.00 O ATOM 0 H GLY A 107 10.027 6.025 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.141 3.942 -10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.368 5.142 -10.179 1.00 0.00 H new ATOM 1647 N ILE A 108 11.898 2.281 -9.681 1.00 0.00 N ATOM 1648 CA ILE A 108 12.707 1.211 -9.049 1.00 0.00 C ATOM 1649 C ILE A 108 14.055 1.758 -8.568 1.00 0.00 C ATOM 1650 O ILE A 108 14.526 1.420 -7.500 1.00 0.00 O ATOM 1651 CB ILE A 108 12.916 0.205 -10.174 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.586 -0.449 -10.541 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.888 -0.863 -9.717 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.759 -1.257 -11.830 1.00 0.00 C ATOM 0 H ILE A 108 11.656 2.116 -10.658 1.00 0.00 H new ATOM 0 HA ILE A 108 12.222 0.780 -8.173 1.00 0.00 H new ATOM 0 HB ILE A 108 13.316 0.721 -11.047 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.252 -1.099 -9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.818 0.313 -10.676 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.040 -1.584 -10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.841 -0.401 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.484 -1.373 -8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.811 -1.726 -12.096 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.074 -0.594 -12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.515 -2.028 -11.678 1.00 0.00 H new ATOM 1666 N HIS A 109 14.678 2.598 -9.348 1.00 0.00 N ATOM 1667 CA HIS A 109 15.997 3.159 -8.939 1.00 0.00 C ATOM 1668 C HIS A 109 15.794 4.388 -8.058 1.00 0.00 C ATOM 1669 O HIS A 109 16.733 5.073 -7.708 1.00 0.00 O ATOM 1670 CB HIS A 109 16.697 3.540 -10.246 1.00 0.00 C ATOM 1671 CG HIS A 109 16.029 4.746 -10.846 1.00 0.00 C ATOM 1672 ND1 HIS A 109 16.656 5.979 -10.908 1.00 0.00 N ATOM 1673 CD2 HIS A 109 14.797 4.921 -11.429 1.00 0.00 C ATOM 1674 CE1 HIS A 109 15.809 6.836 -11.505 1.00 0.00 C ATOM 1675 NE2 HIS A 109 14.660 6.243 -11.843 1.00 0.00 N ATOM 0 H HIS A 109 14.331 2.920 -10.251 1.00 0.00 H new ATOM 0 HA HIS A 109 16.586 2.447 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.750 3.751 -10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.660 2.706 -10.946 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.591 6.198 -10.563 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.049 4.151 -11.548 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.030 7.877 -11.689 1.00 0.00 H new ATOM 1683 N GLN A 110 14.577 4.665 -7.688 1.00 0.00 N ATOM 1684 CA GLN A 110 14.321 5.840 -6.817 1.00 0.00 C ATOM 1685 C GLN A 110 13.929 5.364 -5.420 1.00 0.00 C ATOM 1686 O GLN A 110 13.242 6.044 -4.688 1.00 0.00 O ATOM 1687 CB GLN A 110 13.174 6.603 -7.480 1.00 0.00 C ATOM 1688 CG GLN A 110 13.685 7.264 -8.762 1.00 0.00 C ATOM 1689 CD GLN A 110 12.551 8.043 -9.427 1.00 0.00 C ATOM 1690 OE1 GLN A 110 11.766 8.779 -8.688 1.00 0.00 O flip ATOM 1691 NE2 GLN A 110 12.382 7.991 -10.632 1.00 0.00 N flip ATOM 0 H GLN A 110 13.750 4.129 -7.951 1.00 0.00 H new ATOM 0 HA GLN A 110 15.199 6.476 -6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.353 5.923 -7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.782 7.358 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.513 7.934 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.068 6.506 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.996 7.416 -11.209 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.627 8.523 -11.064 1.00 0.00 H new ATOM 1700 N LEU A 111 14.363 4.191 -5.046 1.00 0.00 N ATOM 1701 CA LEU A 111 14.016 3.671 -3.697 1.00 0.00 C ATOM 1702 C LEU A 111 14.712 4.513 -2.633 1.00 0.00 C ATOM 1703 O LEU A 111 15.874 4.341 -2.324 1.00 0.00 O ATOM 1704 CB LEU A 111 14.512 2.218 -3.679 1.00 0.00 C ATOM 1705 CG LEU A 111 13.498 1.256 -4.346 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.969 0.282 -3.297 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.311 2.015 -4.959 1.00 0.00 C ATOM 0 H LEU A 111 14.941 3.573 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 111 12.947 3.718 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.469 2.154 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.686 1.906 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 111 14.015 0.726 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.254 -0.398 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.798 -0.290 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.476 0.838 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.622 1.305 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.792 2.571 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.675 2.708 -5.717 1.00 0.00 H new ATOM 1719 N GLU A 112 13.980 5.430 -2.085 1.00 0.00 N ATOM 1720 CA GLU A 112 14.520 6.341 -1.037 1.00 0.00 C ATOM 1721 C GLU A 112 13.434 7.359 -0.692 1.00 0.00 C ATOM 1722 O GLU A 112 13.363 7.869 0.407 1.00 0.00 O ATOM 1723 CB GLU A 112 15.721 7.039 -1.679 1.00 0.00 C ATOM 1724 CG GLU A 112 15.278 7.667 -2.997 1.00 0.00 C ATOM 1725 CD GLU A 112 16.491 8.230 -3.744 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.543 7.616 -3.675 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.345 9.264 -4.377 1.00 0.00 O ATOM 0 H GLU A 112 13.002 5.595 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 112 14.813 5.821 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.115 7.804 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.525 6.323 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.775 6.922 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.557 8.462 -2.806 1.00 0.00 H new ATOM 1734 N GLN A 113 12.581 7.644 -1.642 1.00 0.00 N ATOM 1735 CA GLN A 113 11.480 8.620 -1.406 1.00 0.00 C ATOM 1736 C GLN A 113 10.282 7.919 -0.762 1.00 0.00 C ATOM 1737 O GLN A 113 9.270 8.526 -0.489 1.00 0.00 O ATOM 1738 CB GLN A 113 11.112 9.124 -2.802 1.00 0.00 C ATOM 1739 CG GLN A 113 12.213 10.057 -3.309 1.00 0.00 C ATOM 1740 CD GLN A 113 12.029 10.313 -4.806 1.00 0.00 C ATOM 1741 OE1 GLN A 113 10.946 10.637 -5.253 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.051 10.178 -5.608 1.00 0.00 N ATOM 0 H GLN A 113 12.602 7.238 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 113 11.774 9.428 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.989 8.283 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.158 9.651 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.183 11.000 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.191 9.613 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.960 9.906 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.940 10.344 -6.608 1.00 0.00 H new ATOM 1751 N LEU A 114 10.388 6.642 -0.519 1.00 0.00 N ATOM 1752 CA LEU A 114 9.250 5.901 0.095 1.00 0.00 C ATOM 1753 C LEU A 114 8.706 6.624 1.332 1.00 0.00 C ATOM 1754 O LEU A 114 7.515 6.756 1.471 1.00 0.00 O ATOM 1755 CB LEU A 114 9.815 4.539 0.471 1.00 0.00 C ATOM 1756 CG LEU A 114 10.035 3.734 -0.803 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.509 3.351 -0.916 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.172 2.471 -0.753 1.00 0.00 C ATOM 0 H LEU A 114 11.214 6.079 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 114 8.411 5.821 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.754 4.656 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.128 4.015 1.135 1.00 0.00 H new ATOM 0 HG LEU A 114 9.755 4.331 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.666 2.775 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 114 12.118 4.254 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.796 2.750 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.325 1.890 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.454 1.872 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.122 2.751 -0.673 1.00 0.00 H new ATOM 1770 N PRO A 115 9.575 7.076 2.201 1.00 0.00 N ATOM 1771 CA PRO A 115 9.103 7.794 3.412 1.00 0.00 C ATOM 1772 C PRO A 115 8.412 9.096 3.008 1.00 0.00 C ATOM 1773 O PRO A 115 7.238 9.285 3.265 1.00 0.00 O ATOM 1774 CB PRO A 115 10.379 8.032 4.214 1.00 0.00 C ATOM 1775 CG PRO A 115 11.476 7.973 3.203 1.00 0.00 C ATOM 1776 CD PRO A 115 11.039 6.975 2.166 1.00 0.00 C ATOM 0 HA PRO A 115 8.365 7.243 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.356 8.998 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.510 7.273 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.645 8.952 2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.415 7.668 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.436 7.218 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.379 5.968 2.407 1.00 0.00 H new ATOM 1784 N TYR A 116 9.100 9.982 2.347 1.00 0.00 N ATOM 1785 CA TYR A 116 8.427 11.232 1.911 1.00 0.00 C ATOM 1786 C TYR A 116 7.230 10.838 1.036 1.00 0.00 C ATOM 1787 O TYR A 116 6.178 11.443 1.090 1.00 0.00 O ATOM 1788 CB TYR A 116 9.514 12.020 1.159 1.00 0.00 C ATOM 1789 CG TYR A 116 9.141 12.252 -0.287 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.024 13.027 -0.614 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.932 11.701 -1.298 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.698 13.250 -1.959 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.606 11.920 -2.641 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.490 12.695 -2.973 1.00 0.00 C ATOM 1795 OH TYR A 116 8.170 12.914 -4.298 1.00 0.00 O ATOM 0 H TYR A 116 10.084 9.897 2.093 1.00 0.00 H new ATOM 0 HA TYR A 116 8.028 11.849 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.674 12.979 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.457 11.476 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.413 13.453 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.796 11.105 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.837 13.849 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.216 11.490 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 116 8.822 12.459 -4.871 1.00 0.00 H new ATOM 1805 N GLN A 117 7.379 9.793 0.266 1.00 0.00 N ATOM 1806 CA GLN A 117 6.251 9.307 -0.579 1.00 0.00 C ATOM 1807 C GLN A 117 5.157 8.747 0.331 1.00 0.00 C ATOM 1808 O GLN A 117 3.989 9.016 0.158 1.00 0.00 O ATOM 1809 CB GLN A 117 6.850 8.195 -1.448 1.00 0.00 C ATOM 1810 CG GLN A 117 7.745 8.801 -2.531 1.00 0.00 C ATOM 1811 CD GLN A 117 6.946 8.953 -3.828 1.00 0.00 C ATOM 1812 OE1 GLN A 117 6.412 7.990 -4.341 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.836 10.131 -4.382 1.00 0.00 N ATOM 0 H GLN A 117 8.240 9.252 0.186 1.00 0.00 H new ATOM 0 HA GLN A 117 5.807 10.093 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.428 7.510 -0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.052 7.612 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.120 9.772 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.613 8.164 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.284 10.940 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.302 10.241 -5.244 1.00 0.00 H new ATOM 1822 N VAL A 118 5.547 7.975 1.310 1.00 0.00 N ATOM 1823 CA VAL A 118 4.560 7.386 2.256 1.00 0.00 C ATOM 1824 C VAL A 118 3.821 8.508 2.985 1.00 0.00 C ATOM 1825 O VAL A 118 2.610 8.508 3.065 1.00 0.00 O ATOM 1826 CB VAL A 118 5.404 6.533 3.219 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.732 6.444 4.591 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.543 5.122 2.647 1.00 0.00 C ATOM 0 H VAL A 118 6.519 7.726 1.495 1.00 0.00 H new ATOM 0 HA VAL A 118 3.796 6.782 1.766 1.00 0.00 H new ATOM 0 HB VAL A 118 6.383 6.999 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.344 5.837 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.624 7.445 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.748 5.987 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.140 4.512 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.555 4.677 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.033 5.170 1.675 1.00 0.00 H new ATOM 1838 N ASP A 119 4.526 9.478 3.497 1.00 0.00 N ATOM 1839 CA ASP A 119 3.823 10.595 4.180 1.00 0.00 C ATOM 1840 C ASP A 119 2.926 11.294 3.159 1.00 0.00 C ATOM 1841 O ASP A 119 1.804 11.660 3.445 1.00 0.00 O ATOM 1842 CB ASP A 119 4.927 11.526 4.684 1.00 0.00 C ATOM 1843 CG ASP A 119 5.677 10.847 5.834 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.215 9.812 6.286 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.700 11.372 6.243 1.00 0.00 O ATOM 0 H ASP A 119 5.544 9.545 3.472 1.00 0.00 H new ATOM 0 HA ASP A 119 3.193 10.269 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.617 11.762 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.497 12.469 5.022 1.00 0.00 H new ATOM 1850 N ALA A 120 3.410 11.453 1.953 1.00 0.00 N ATOM 1851 CA ALA A 120 2.582 12.093 0.892 1.00 0.00 C ATOM 1852 C ALA A 120 1.464 11.132 0.488 1.00 0.00 C ATOM 1853 O ALA A 120 0.354 11.534 0.196 1.00 0.00 O ATOM 1854 CB ALA A 120 3.535 12.332 -0.282 1.00 0.00 C ATOM 0 H ALA A 120 4.344 11.166 1.659 1.00 0.00 H new ATOM 0 HA ALA A 120 2.121 13.024 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.992 12.802 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.348 12.985 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.945 11.379 -0.618 1.00 0.00 H new ATOM 1860 N ALA A 121 1.754 9.857 0.487 1.00 0.00 N ATOM 1861 CA ALA A 121 0.717 8.855 0.124 1.00 0.00 C ATOM 1862 C ALA A 121 -0.360 8.851 1.205 1.00 0.00 C ATOM 1863 O ALA A 121 -1.542 8.791 0.927 1.00 0.00 O ATOM 1864 CB ALA A 121 1.448 7.511 0.092 1.00 0.00 C ATOM 0 H ALA A 121 2.667 9.469 0.723 1.00 0.00 H new ATOM 0 HA ALA A 121 0.236 9.067 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.745 6.720 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.245 7.548 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.876 7.306 1.073 1.00 0.00 H new ATOM 1870 N LEU A 122 0.045 8.936 2.441 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.950 8.959 3.544 1.00 0.00 C ATOM 1872 C LEU A 122 -1.887 10.148 3.346 1.00 0.00 C ATOM 1873 O LEU A 122 -3.094 10.021 3.422 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.120 9.121 4.820 1.00 0.00 C ATOM 1875 CG LEU A 122 0.608 7.812 5.140 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.859 8.104 5.973 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.321 6.900 5.943 1.00 0.00 C ATOM 0 H LEU A 122 1.021 8.990 2.733 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.568 8.062 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.603 9.927 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.767 9.400 5.652 1.00 0.00 H new ATOM 0 HG LEU A 122 0.896 7.325 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.373 7.169 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.525 8.759 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.571 8.592 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.194 5.967 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.604 7.396 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.216 6.686 5.358 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.342 11.297 3.065 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.204 12.487 2.829 1.00 0.00 C ATOM 1891 C ALA A 123 -2.971 12.295 1.522 1.00 0.00 C ATOM 1892 O ALA A 123 -4.167 12.505 1.452 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.239 13.666 2.720 1.00 0.00 C ATOM 0 H ALA A 123 -0.339 11.464 2.989 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.935 12.645 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.803 14.582 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.673 13.759 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.552 13.499 1.890 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.287 11.887 0.484 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.969 11.668 -0.821 1.00 0.00 C ATOM 1901 C GLU A 124 -4.060 10.603 -0.674 1.00 0.00 C ATOM 1902 O GLU A 124 -5.127 10.722 -1.243 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.867 11.207 -1.782 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.483 10.814 -3.129 1.00 0.00 C ATOM 1905 CD GLU A 124 -1.593 11.324 -4.263 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -0.386 11.194 -4.147 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -2.135 11.837 -5.228 1.00 0.00 O ATOM 0 H GLU A 124 -1.285 11.697 0.487 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.462 12.568 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.139 12.005 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.331 10.359 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.586 9.731 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.484 11.235 -3.220 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.817 9.567 0.095 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.872 8.525 0.272 1.00 0.00 C ATOM 1916 C PHE A 125 -6.015 9.097 1.112 1.00 0.00 C ATOM 1917 O PHE A 125 -7.174 8.861 0.845 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.193 7.368 1.008 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.240 6.378 1.470 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.859 5.519 0.549 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.590 6.315 2.824 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.827 4.602 0.985 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.557 5.399 3.259 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.173 4.542 2.340 1.00 0.00 C ATOM 0 H PHE A 125 -2.946 9.401 0.600 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.292 8.196 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.477 6.875 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.633 7.746 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.590 5.564 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.114 6.974 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.305 3.943 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.827 5.354 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.916 3.834 2.676 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.689 9.849 2.131 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.747 10.436 3.001 1.00 0.00 C ATOM 1936 C LEU A 126 -7.615 11.430 2.222 1.00 0.00 C ATOM 1937 O LEU A 126 -8.827 11.340 2.238 1.00 0.00 O ATOM 1938 CB LEU A 126 -5.985 11.147 4.119 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.469 10.116 5.124 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.729 10.836 6.254 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.651 9.339 5.708 1.00 0.00 C ATOM 0 H LEU A 126 -4.732 10.082 2.398 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.427 9.674 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.151 11.712 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.637 11.863 4.619 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.790 9.426 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.360 10.104 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.889 11.394 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.410 11.524 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.285 8.604 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.328 10.030 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.184 8.829 4.905 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.022 12.374 1.536 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.855 13.346 0.768 1.00 0.00 C ATOM 1955 C ARG A 127 -8.731 12.590 -0.233 1.00 0.00 C ATOM 1956 O ARG A 127 -9.925 12.799 -0.311 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.864 14.243 0.024 1.00 0.00 C ATOM 1958 CG ARG A 127 -6.048 15.074 1.017 1.00 0.00 C ATOM 1959 CD ARG A 127 -4.969 15.840 0.249 1.00 0.00 C ATOM 1960 NE ARG A 127 -4.249 16.651 1.275 1.00 0.00 N ATOM 1961 CZ ARG A 127 -3.794 17.848 0.985 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -3.921 18.341 -0.219 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -3.184 18.549 1.903 1.00 0.00 N ATOM 0 H ARG A 127 -6.013 12.512 1.475 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.512 13.925 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.196 13.632 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.401 14.903 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.697 15.769 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.591 14.426 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -4.289 15.156 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.410 16.478 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.109 16.271 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.379 17.794 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.562 19.272 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -3.063 18.166 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.829 19.479 1.682 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.142 11.703 -0.989 1.00 0.00 N ATOM 1978 CA LEU A 128 -8.933 10.916 -1.977 1.00 0.00 C ATOM 1979 C LEU A 128 -9.811 9.899 -1.252 1.00 0.00 C ATOM 1980 O LEU A 128 -10.866 9.527 -1.727 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.897 10.221 -2.860 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.569 9.739 -4.149 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -9.270 10.914 -4.835 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.511 9.161 -5.094 1.00 0.00 C ATOM 0 H LEU A 128 -7.145 11.489 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.602 11.542 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.084 10.908 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.457 9.377 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.302 8.970 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -9.747 10.568 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.025 11.328 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.537 11.684 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.990 8.818 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.778 9.931 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.011 8.322 -4.611 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.390 9.440 -0.104 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.216 8.446 0.634 1.00 0.00 C ATOM 1998 C ALA A 129 -11.576 9.059 0.994 1.00 0.00 C ATOM 1999 O ALA A 129 -11.635 10.172 1.479 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.437 8.127 1.909 1.00 0.00 C ATOM 0 H ALA A 129 -8.517 9.708 0.350 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.402 7.553 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -9.991 7.399 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.462 7.716 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.301 9.039 2.490 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.630 8.318 0.758 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.516 6.959 0.162 1.00 0.00 C ATOM 2008 C PRO A 130 -12.193 7.055 -1.335 1.00 0.00 C ATOM 2009 O PRO A 130 -12.936 7.636 -2.101 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.902 6.360 0.371 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.820 7.537 0.464 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.022 8.679 1.035 1.00 0.00 C ATOM 0 HA PRO A 130 -11.722 6.362 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.179 5.707 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.939 5.757 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.214 7.796 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.675 7.309 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.289 9.626 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.199 8.793 2.105 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.095 6.486 -1.759 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.733 6.540 -3.209 1.00 0.00 C ATOM 2022 C VAL A 131 -11.560 5.518 -3.995 1.00 0.00 C ATOM 2023 O VAL A 131 -12.106 4.591 -3.433 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.249 6.177 -3.272 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.440 7.169 -2.442 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -9.046 4.767 -2.715 1.00 0.00 C ATOM 0 H VAL A 131 -10.433 5.986 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.930 7.521 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.913 6.214 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.383 6.907 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.582 8.175 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.776 7.135 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.988 4.507 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.385 4.733 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.620 4.055 -3.309 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.651 5.677 -5.289 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.436 4.708 -6.109 1.00 0.00 C ATOM 2038 C GLU A 132 -11.529 3.569 -6.581 1.00 0.00 C ATOM 2039 O GLU A 132 -10.703 3.749 -7.453 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.937 5.514 -7.313 1.00 0.00 C ATOM 2041 CG GLU A 132 -14.328 6.083 -7.017 1.00 0.00 C ATOM 2042 CD GLU A 132 -15.346 5.471 -7.980 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -15.053 4.426 -8.536 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -16.401 6.059 -8.145 1.00 0.00 O ATOM 0 H GLU A 132 -11.216 6.436 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.256 4.262 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.242 6.325 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.975 4.878 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.610 5.865 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.319 7.168 -7.122 1.00 0.00 H new ATOM 2051 N THR A 133 -11.671 2.397 -6.024 1.00 0.00 N ATOM 2052 CA THR A 133 -10.803 1.267 -6.467 1.00 0.00 C ATOM 2053 C THR A 133 -11.447 0.552 -7.658 1.00 0.00 C ATOM 2054 O THR A 133 -12.600 0.174 -7.623 1.00 0.00 O ATOM 2055 CB THR A 133 -10.697 0.340 -5.256 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.882 0.436 -4.478 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.488 0.751 -4.412 1.00 0.00 C ATOM 0 H THR A 133 -12.342 2.173 -5.289 1.00 0.00 H new ATOM 0 HA THR A 133 -9.819 1.600 -6.795 1.00 0.00 H new ATOM 0 HB THR A 133 -10.573 -0.690 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.814 -0.160 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.408 0.093 -3.547 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.582 0.673 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.613 1.780 -4.075 1.00 0.00 H new ATOM 2065 N MET A 134 -10.706 0.381 -8.719 1.00 0.00 N ATOM 2066 CA MET A 134 -11.260 -0.287 -9.933 1.00 0.00 C ATOM 2067 C MET A 134 -11.768 -1.694 -9.596 1.00 0.00 C ATOM 2068 O MET A 134 -12.787 -2.129 -10.096 1.00 0.00 O ATOM 2069 CB MET A 134 -10.082 -0.354 -10.906 1.00 0.00 C ATOM 2070 CG MET A 134 -9.595 1.062 -11.218 1.00 0.00 C ATOM 2071 SD MET A 134 -8.196 0.983 -12.366 1.00 0.00 S ATOM 2072 CE MET A 134 -9.152 1.036 -13.901 1.00 0.00 C ATOM 0 H MET A 134 -9.733 0.677 -8.798 1.00 0.00 H new ATOM 0 HA MET A 134 -12.111 0.252 -10.350 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.272 -0.941 -10.473 1.00 0.00 H new ATOM 0 HB3 MET A 134 -10.384 -0.857 -11.825 1.00 0.00 H new ATOM 0 HG2 MET A 134 -10.404 1.648 -11.654 1.00 0.00 H new ATOM 0 HG3 MET A 134 -9.296 1.566 -10.299 1.00 0.00 H new ATOM 0 HE1 MET A 134 -8.474 0.998 -14.753 1.00 0.00 H new ATOM 0 HE2 MET A 134 -9.829 0.183 -13.937 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.730 1.960 -13.938 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.071 -2.414 -8.760 1.00 0.00 N ATOM 2083 CA ALA A 135 -11.529 -3.789 -8.404 1.00 0.00 C ATOM 2084 C ALA A 135 -12.858 -3.731 -7.648 1.00 0.00 C ATOM 2085 O ALA A 135 -13.686 -4.595 -7.881 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.432 -4.356 -7.505 1.00 0.00 C ATOM 2087 OXT ALA A 135 -13.024 -2.826 -6.848 1.00 0.00 O ATOM 0 H ALA A 135 -10.207 -2.112 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.693 -4.405 -9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.698 -5.368 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.489 -4.377 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.326 -3.728 -6.621 1.00 0.00 H new TER 2093 ALA A 135