USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -0.641 X(o=0.59,f=0.96) USER MOD Set 1.2: A 89 THR OG1 : rot 60:sc= 1.23 USER MOD Set 2.1: A 74 ASN : amide:sc= -2.36! C(o=-2.2!,f=-5.4!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.135 K(o=-2.2,f=-6.5) USER MOD Set 3.1: A 51 THR OG1 : rot 168:sc= 0.0278 USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0.0517 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 X(o=0.37,f=0.35) USER MOD Set 4.2: A 50 SER OG : rot 34:sc= 0.373 USER MOD Set 5.1: A 24 SER OG : rot 180:sc=-0.00821 USER MOD Set 5.2: A 27 ASN : amide:sc= -1.57 K(o=-1.6,f=0.63) USER MOD Set 6.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 106 ASN : amide:sc= -0.783 K(o=-0.78,f=-3.3!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -160:sc= -12.5! (180deg=-13.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 TYR OH : rot -15:sc= -0.961 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0307) USER MOD Single : A 36 SER OG : rot -102:sc= -0.273 USER MOD Single : A 37 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.2) USER MOD Single : A 39 ASN : amide:sc= -0.138 K(o=-0.14,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 113:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -17:sc= 0.309! USER MOD Single : A 44 ASN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -8.05! C(o=-8.1!,f=-5.3!) USER MOD Single : A 59 ASN : amide:sc= -1.89! C(o=-1.9!,f=-6.3!) USER MOD Single : A 60 SER OG : rot 105:sc= 0.65 USER MOD Single : A 65 ASN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 69 THR OG1 : rot 75:sc= -0.0607 USER MOD Single : A 72 SER OG : rot -83:sc= 0.283 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 99:sc= 0.482 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0773 USER MOD Single : A 91 SER OG : rot 91:sc= -0.342 USER MOD Single : A 93 ASN : amide:sc= 0.24 X(o=0.24,f=-0.057) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -23:sc= 0.21 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -151:sc= -4.3 (180deg=-5.74!) USER MOD Single : A 113 ASN : amide:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.905 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.929 -10.754 1.889 1.00 0.00 N ATOM 2 CA LYS A 1 -5.694 -11.362 1.330 1.00 0.00 C ATOM 3 C LYS A 1 -4.717 -10.291 0.855 1.00 0.00 C ATOM 4 O LYS A 1 -4.901 -9.699 -0.207 1.00 0.00 O ATOM 5 CB LYS A 1 -6.083 -12.273 0.165 1.00 0.00 C ATOM 6 CG LYS A 1 -5.623 -13.712 0.337 1.00 0.00 C ATOM 7 CD LYS A 1 -6.109 -14.593 -0.802 1.00 0.00 C ATOM 8 CE LYS A 1 -5.074 -14.691 -1.910 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.424 -15.740 -2.908 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.574 -11.506 2.204 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.682 -10.148 2.698 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.396 -10.181 1.157 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.196 -11.939 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.167 -12.258 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.659 -11.872 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.534 -13.744 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.994 -14.103 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.333 -15.590 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.038 -14.189 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.988 -13.727 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.099 -14.913 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.693 -15.774 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.482 -16.664 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.343 -15.515 -3.341 1.00 0.00 H new ATOM 25 N VAL A 2 -3.681 -10.049 1.650 1.00 0.00 N ATOM 26 CA VAL A 2 -2.672 -9.049 1.314 1.00 0.00 C ATOM 27 C VAL A 2 -1.551 -9.663 0.477 1.00 0.00 C ATOM 28 O VAL A 2 -1.226 -10.841 0.629 1.00 0.00 O ATOM 29 CB VAL A 2 -2.071 -8.414 2.589 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.837 -7.585 2.265 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.106 -7.555 3.297 1.00 0.00 C ATOM 0 H VAL A 2 -3.517 -10.532 2.533 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.167 -8.272 0.732 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.771 -9.225 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.438 -7.152 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.081 -8.222 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.106 -6.786 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.664 -7.117 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.437 -6.760 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.960 -8.172 3.578 1.00 0.00 H new ATOM 41 N PHE A 3 -0.949 -8.851 -0.389 1.00 0.00 N ATOM 42 CA PHE A 3 0.151 -9.298 -1.230 1.00 0.00 C ATOM 43 C PHE A 3 1.371 -9.648 -0.387 1.00 0.00 C ATOM 44 O PHE A 3 1.467 -9.273 0.781 1.00 0.00 O ATOM 45 CB PHE A 3 0.548 -8.192 -2.211 1.00 0.00 C ATOM 46 CG PHE A 3 -0.195 -8.217 -3.511 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.250 -8.999 -4.563 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.326 -7.443 -3.686 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.424 -9.008 -5.767 1.00 0.00 C ATOM 50 CE2 PHE A 3 -2.007 -7.449 -4.885 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.555 -8.233 -5.929 1.00 0.00 C ATOM 0 H PHE A 3 -1.209 -7.874 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.185 -10.182 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.386 -7.226 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.616 -8.272 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.133 -9.608 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.681 -6.826 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.067 -9.621 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.892 -6.842 -5.008 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.085 -8.240 -6.870 1.00 0.00 H new ATOM 61 N GLY A 4 2.304 -10.350 -1.007 1.00 0.00 N ATOM 62 CA GLY A 4 3.528 -10.729 -0.333 1.00 0.00 C ATOM 63 C GLY A 4 4.619 -9.704 -0.556 1.00 0.00 C ATOM 64 O GLY A 4 4.605 -8.991 -1.558 1.00 0.00 O ATOM 0 H GLY A 4 2.235 -10.667 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.339 -10.836 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.860 -11.701 -0.697 1.00 0.00 H new ATOM 68 N ARG A 5 5.564 -9.620 0.374 1.00 0.00 N ATOM 69 CA ARG A 5 6.656 -8.662 0.254 1.00 0.00 C ATOM 70 C ARG A 5 7.344 -8.798 -1.092 1.00 0.00 C ATOM 71 O ARG A 5 7.299 -7.882 -1.914 1.00 0.00 O ATOM 72 CB ARG A 5 7.667 -8.850 1.387 1.00 0.00 C ATOM 73 CG ARG A 5 7.077 -8.628 2.771 1.00 0.00 C ATOM 74 CD ARG A 5 7.938 -9.263 3.851 1.00 0.00 C ATOM 75 NE ARG A 5 7.555 -8.817 5.188 1.00 0.00 N ATOM 76 CZ ARG A 5 8.363 -8.869 6.242 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.595 -9.345 6.116 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.941 -8.443 7.425 1.00 0.00 N ATOM 0 H ARG A 5 5.596 -10.199 1.213 1.00 0.00 H new ATOM 0 HA ARG A 5 6.235 -7.659 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.077 -9.858 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.498 -8.160 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.983 -7.559 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.072 -9.048 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.852 -10.348 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.985 -9.016 3.672 1.00 0.00 H new ATOM 0 HE ARG A 5 6.615 -8.445 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.925 -9.673 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.212 -9.383 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.995 -8.075 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.562 -8.484 8.233 1.00 0.00 H new ATOM 92 N CYS A 6 7.973 -9.941 -1.325 1.00 0.00 N ATOM 93 CA CYS A 6 8.651 -10.169 -2.586 1.00 0.00 C ATOM 94 C CYS A 6 7.662 -10.599 -3.655 1.00 0.00 C ATOM 95 O CYS A 6 7.811 -10.237 -4.817 1.00 0.00 O ATOM 96 CB CYS A 6 9.749 -11.211 -2.440 1.00 0.00 C ATOM 97 SG CYS A 6 10.512 -11.260 -0.787 1.00 0.00 S ATOM 0 H CYS A 6 8.026 -10.715 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 6 9.111 -9.229 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.335 -12.194 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.524 -11.013 -3.180 1.00 0.00 H new ATOM 102 N GLU A 7 6.645 -11.361 -3.259 1.00 0.00 N ATOM 103 CA GLU A 7 5.634 -11.806 -4.207 1.00 0.00 C ATOM 104 C GLU A 7 5.209 -10.622 -5.062 1.00 0.00 C ATOM 105 O GLU A 7 5.216 -10.683 -6.294 1.00 0.00 O ATOM 106 CB GLU A 7 4.427 -12.395 -3.475 1.00 0.00 C ATOM 107 CG GLU A 7 3.637 -13.392 -4.308 1.00 0.00 C ATOM 108 CD GLU A 7 2.236 -13.616 -3.774 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.094 -14.330 -2.759 1.00 0.00 O ATOM 110 OE2 GLU A 7 1.279 -13.077 -4.371 1.00 0.00 O ATOM 0 H GLU A 7 6.502 -11.678 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 7 6.052 -12.587 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.769 -12.886 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.766 -11.584 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.577 -13.035 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.169 -14.343 -4.332 1.00 0.00 H new ATOM 117 N LEU A 8 4.869 -9.534 -4.384 1.00 0.00 N ATOM 118 CA LEU A 8 4.467 -8.314 -5.056 1.00 0.00 C ATOM 119 C LEU A 8 5.658 -7.666 -5.755 1.00 0.00 C ATOM 120 O LEU A 8 5.510 -7.128 -6.847 1.00 0.00 O ATOM 121 CB LEU A 8 3.850 -7.321 -4.065 1.00 0.00 C ATOM 122 CG LEU A 8 3.976 -5.846 -4.466 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.685 -5.342 -5.090 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.359 -4.992 -3.267 1.00 0.00 C ATOM 0 H LEU A 8 4.865 -9.475 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 8 3.717 -8.578 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.794 -7.560 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.322 -7.460 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 8 4.768 -5.766 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.799 -4.294 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.458 -5.929 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.871 -5.442 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.443 -3.950 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.593 -5.083 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.316 -5.331 -2.870 1.00 0.00 H new ATOM 136 N ALA A 9 6.841 -7.717 -5.133 1.00 0.00 N ATOM 137 CA ALA A 9 8.024 -7.113 -5.739 1.00 0.00 C ATOM 138 C ALA A 9 8.333 -7.741 -7.089 1.00 0.00 C ATOM 139 O ALA A 9 8.448 -7.038 -8.088 1.00 0.00 O ATOM 140 CB ALA A 9 9.221 -7.224 -4.814 1.00 0.00 C ATOM 0 H ALA A 9 7.000 -8.161 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 9 7.810 -6.056 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.090 -6.767 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.006 -6.710 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.428 -8.275 -4.612 1.00 0.00 H new ATOM 146 N ALA A 10 8.458 -9.064 -7.116 1.00 0.00 N ATOM 147 CA ALA A 10 8.741 -9.776 -8.353 1.00 0.00 C ATOM 148 C ALA A 10 7.736 -9.384 -9.426 1.00 0.00 C ATOM 149 O ALA A 10 8.108 -9.104 -10.567 1.00 0.00 O ATOM 150 CB ALA A 10 8.713 -11.279 -8.119 1.00 0.00 C ATOM 0 H ALA A 10 8.368 -9.663 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 10 9.739 -9.501 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.927 -11.797 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.465 -11.546 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.727 -11.573 -7.759 1.00 0.00 H new ATOM 156 N ALA A 11 6.460 -9.350 -9.049 1.00 0.00 N ATOM 157 CA ALA A 11 5.410 -8.971 -9.982 1.00 0.00 C ATOM 158 C ALA A 11 5.631 -7.557 -10.472 1.00 0.00 C ATOM 159 O ALA A 11 5.411 -7.236 -11.639 1.00 0.00 O ATOM 160 CB ALA A 11 4.039 -9.113 -9.337 1.00 0.00 C ATOM 0 H ALA A 11 6.133 -9.579 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 11 5.448 -9.643 -10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.269 -8.824 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.884 -10.149 -9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.981 -8.467 -8.461 1.00 0.00 H new ATOM 166 N MET A 12 6.077 -6.731 -9.556 1.00 0.00 N ATOM 167 CA MET A 12 6.356 -5.328 -9.844 1.00 0.00 C ATOM 168 C MET A 12 7.526 -5.200 -10.805 1.00 0.00 C ATOM 169 O MET A 12 7.472 -4.423 -11.757 1.00 0.00 O ATOM 170 CB MET A 12 6.659 -4.567 -8.560 1.00 0.00 C ATOM 171 CG MET A 12 5.462 -4.447 -7.634 1.00 0.00 C ATOM 172 SD MET A 12 5.893 -3.710 -6.052 1.00 0.00 S ATOM 173 CE MET A 12 6.117 -2.016 -6.559 1.00 0.00 C ATOM 0 H MET A 12 6.259 -7.003 -8.590 1.00 0.00 H new ATOM 0 HA MET A 12 5.469 -4.897 -10.309 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.469 -5.069 -8.031 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.015 -3.568 -8.814 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.692 -3.844 -8.115 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.034 -5.436 -7.467 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.717 -1.490 -5.816 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.627 -1.989 -7.522 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.145 -1.532 -6.649 1.00 0.00 H new ATOM 183 N LYS A 13 8.579 -5.978 -10.560 1.00 0.00 N ATOM 184 CA LYS A 13 9.748 -5.957 -11.424 1.00 0.00 C ATOM 185 C LYS A 13 9.291 -6.149 -12.857 1.00 0.00 C ATOM 186 O LYS A 13 9.784 -5.497 -13.778 1.00 0.00 O ATOM 187 CB LYS A 13 10.733 -7.058 -11.027 1.00 0.00 C ATOM 188 CG LYS A 13 12.147 -6.818 -11.530 1.00 0.00 C ATOM 189 CD LYS A 13 12.613 -7.943 -12.440 1.00 0.00 C ATOM 190 CE LYS A 13 14.000 -7.668 -13.000 1.00 0.00 C ATOM 191 NZ LYS A 13 14.104 -8.045 -14.436 1.00 0.00 N ATOM 0 H LYS A 13 8.643 -6.625 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 13 10.261 -5.001 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.752 -7.143 -9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.375 -8.012 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.187 -5.872 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.826 -6.730 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.623 -8.881 -11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.906 -8.066 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.235 -6.610 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.741 -8.223 -12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.064 -7.842 -14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.905 -9.060 -14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.415 -7.497 -14.990 1.00 0.00 H new ATOM 205 N ARG A 14 8.320 -7.039 -13.025 1.00 0.00 N ATOM 206 CA ARG A 14 7.757 -7.314 -14.332 1.00 0.00 C ATOM 207 C ARG A 14 6.891 -6.143 -14.771 1.00 0.00 C ATOM 208 O ARG A 14 6.841 -5.808 -15.955 1.00 0.00 O ATOM 209 CB ARG A 14 6.928 -8.599 -14.299 1.00 0.00 C ATOM 210 CG ARG A 14 7.538 -9.737 -15.102 1.00 0.00 C ATOM 211 CD ARG A 14 6.498 -10.429 -15.968 1.00 0.00 C ATOM 212 NE ARG A 14 6.254 -9.707 -17.213 1.00 0.00 N ATOM 213 CZ ARG A 14 7.032 -9.805 -18.288 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.099 -10.593 -18.269 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.742 -9.115 -19.382 1.00 0.00 N ATOM 0 H ARG A 14 7.908 -7.582 -12.266 1.00 0.00 H new ATOM 0 HA ARG A 14 8.570 -7.448 -15.046 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.809 -8.919 -13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.930 -8.388 -14.684 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.339 -9.350 -15.732 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.988 -10.462 -14.424 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.832 -11.441 -16.196 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.565 -10.518 -15.412 1.00 0.00 H new ATOM 0 HE ARG A 14 5.441 -9.093 -17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.325 -11.126 -17.429 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.694 -10.666 -19.094 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.922 -8.509 -19.400 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.339 -9.191 -20.206 1.00 0.00 H new ATOM 229 N HIS A 15 6.189 -5.531 -13.814 1.00 0.00 N ATOM 230 CA HIS A 15 5.306 -4.413 -14.109 1.00 0.00 C ATOM 231 C HIS A 15 6.087 -3.129 -14.342 1.00 0.00 C ATOM 232 O HIS A 15 5.522 -2.141 -14.814 1.00 0.00 O ATOM 233 CB HIS A 15 4.322 -4.194 -12.960 1.00 0.00 C ATOM 234 CG HIS A 15 3.254 -5.236 -12.857 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.191 -5.130 -11.988 1.00 0.00 N ATOM 236 CD2 HIS A 15 3.083 -6.408 -13.516 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.413 -6.187 -12.113 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.930 -6.979 -13.035 1.00 0.00 N ATOM 0 H HIS A 15 6.219 -5.795 -12.829 1.00 0.00 H new ATOM 0 HA HIS A 15 4.763 -4.662 -15.021 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.877 -4.165 -12.022 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.851 -3.219 -13.081 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.732 -6.816 -14.277 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.507 -6.374 -11.556 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.537 -7.869 -13.340 1.00 0.00 H new ATOM 247 N GLY A 16 7.390 -3.141 -14.068 1.00 0.00 N ATOM 248 CA GLY A 16 8.197 -1.968 -14.322 1.00 0.00 C ATOM 249 C GLY A 16 8.226 -0.937 -13.210 1.00 0.00 C ATOM 250 O GLY A 16 8.542 0.221 -13.478 1.00 0.00 O ATOM 0 H GLY A 16 7.894 -3.937 -13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.219 -2.289 -14.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.831 -1.487 -15.229 1.00 0.00 H new ATOM 254 N LEU A 17 7.913 -1.303 -11.962 1.00 0.00 N ATOM 255 CA LEU A 17 7.947 -0.302 -10.902 1.00 0.00 C ATOM 256 C LEU A 17 9.380 -0.045 -10.474 1.00 0.00 C ATOM 257 O LEU A 17 9.666 0.885 -9.725 1.00 0.00 O ATOM 258 CB LEU A 17 7.090 -0.707 -9.696 1.00 0.00 C ATOM 259 CG LEU A 17 5.763 -1.421 -9.999 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.668 -0.925 -9.068 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.319 -1.232 -11.445 1.00 0.00 C ATOM 0 H LEU A 17 7.645 -2.244 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 17 7.521 0.617 -11.304 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.688 -1.357 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.869 0.191 -9.119 1.00 0.00 H new ATOM 0 HG LEU A 17 5.935 -2.485 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.735 -1.441 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.950 -1.126 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.532 0.148 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.377 -1.756 -11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.184 -0.170 -11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.079 -1.635 -12.115 1.00 0.00 H new ATOM 273 N ASP A 18 10.273 -0.868 -10.982 1.00 0.00 N ATOM 274 CA ASP A 18 11.694 -0.739 -10.686 1.00 0.00 C ATOM 275 C ASP A 18 12.304 0.361 -11.547 1.00 0.00 C ATOM 276 O ASP A 18 12.755 0.104 -12.665 1.00 0.00 O ATOM 277 CB ASP A 18 12.416 -2.067 -10.927 1.00 0.00 C ATOM 278 CG ASP A 18 13.925 -1.926 -10.863 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.449 -1.663 -9.760 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.581 -2.080 -11.915 1.00 0.00 O ATOM 0 H ASP A 18 10.043 -1.641 -11.607 1.00 0.00 H new ATOM 0 HA ASP A 18 11.811 -0.473 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.090 -2.794 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.132 -2.460 -11.903 1.00 0.00 H new ATOM 285 N ASN A 19 12.270 1.589 -11.025 1.00 0.00 N ATOM 286 CA ASN A 19 12.775 2.770 -11.729 1.00 0.00 C ATOM 287 C ASN A 19 11.689 3.331 -12.641 1.00 0.00 C ATOM 288 O ASN A 19 11.956 3.759 -13.764 1.00 0.00 O ATOM 289 CB ASN A 19 14.040 2.449 -12.536 1.00 0.00 C ATOM 290 CG ASN A 19 15.006 3.617 -12.584 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.598 4.770 -12.715 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.297 3.320 -12.479 1.00 0.00 N ATOM 0 H ASN A 19 11.891 1.793 -10.100 1.00 0.00 H new ATOM 0 HA ASN A 19 13.044 3.519 -10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.539 1.586 -12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.759 2.171 -13.552 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.995 4.063 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.590 2.349 -12.372 1.00 0.00 H new ATOM 299 N TYR A 20 10.455 3.309 -12.140 1.00 0.00 N ATOM 300 CA TYR A 20 9.304 3.800 -12.898 1.00 0.00 C ATOM 301 C TYR A 20 9.096 5.285 -12.655 1.00 0.00 C ATOM 302 O TYR A 20 8.951 5.719 -11.513 1.00 0.00 O ATOM 303 CB TYR A 20 8.042 3.028 -12.527 1.00 0.00 C ATOM 304 CG TYR A 20 6.938 3.157 -13.552 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.990 2.452 -14.749 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.848 3.987 -13.327 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.985 2.569 -15.690 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.840 4.111 -14.265 1.00 0.00 C ATOM 309 CZ TYR A 20 4.914 3.400 -15.444 1.00 0.00 C ATOM 310 OH TYR A 20 3.912 3.521 -16.379 1.00 0.00 O ATOM 0 H TYR A 20 10.226 2.956 -11.211 1.00 0.00 H new ATOM 0 HA TYR A 20 9.508 3.644 -13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.292 1.974 -12.404 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.677 3.384 -11.564 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.830 1.802 -14.947 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.787 4.545 -12.404 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.039 2.012 -16.614 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.999 4.761 -14.075 1.00 0.00 H new ATOM 0 HH TYR A 20 4.218 3.157 -17.236 1.00 0.00 H new ATOM 320 N ARG A 21 9.110 6.066 -13.732 1.00 0.00 N ATOM 321 CA ARG A 21 8.958 7.508 -13.620 1.00 0.00 C ATOM 322 C ARG A 21 10.092 8.052 -12.767 1.00 0.00 C ATOM 323 O ARG A 21 10.042 9.173 -12.261 1.00 0.00 O ATOM 324 CB ARG A 21 7.602 7.868 -13.011 1.00 0.00 C ATOM 325 CG ARG A 21 6.589 8.357 -14.035 1.00 0.00 C ATOM 326 CD ARG A 21 6.191 7.252 -15.000 1.00 0.00 C ATOM 327 NE ARG A 21 6.186 7.711 -16.386 1.00 0.00 N ATOM 328 CZ ARG A 21 6.421 6.918 -17.427 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.677 5.630 -17.239 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.400 7.412 -18.657 1.00 0.00 N ATOM 0 H ARG A 21 9.225 5.724 -14.686 1.00 0.00 H new ATOM 0 HA ARG A 21 8.998 7.956 -14.613 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.198 6.994 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.745 8.640 -12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.702 8.729 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.009 9.194 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.882 6.415 -14.898 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.200 6.881 -14.737 1.00 0.00 H new ATOM 0 HE ARG A 21 5.991 8.696 -16.566 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.694 5.246 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.857 5.024 -18.039 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.203 8.402 -18.806 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.581 6.802 -19.455 1.00 0.00 H new ATOM 344 N GLY A 22 11.121 7.222 -12.634 1.00 0.00 N ATOM 345 CA GLY A 22 12.289 7.586 -11.865 1.00 0.00 C ATOM 346 C GLY A 22 12.297 7.012 -10.460 1.00 0.00 C ATOM 347 O GLY A 22 13.194 7.328 -9.678 1.00 0.00 O ATOM 0 H GLY A 22 11.163 6.293 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.181 7.246 -12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.349 8.673 -11.804 1.00 0.00 H new ATOM 351 N TYR A 23 11.313 6.175 -10.112 1.00 0.00 N ATOM 352 CA TYR A 23 11.283 5.608 -8.773 1.00 0.00 C ATOM 353 C TYR A 23 11.614 4.124 -8.769 1.00 0.00 C ATOM 354 O TYR A 23 11.011 3.337 -9.493 1.00 0.00 O ATOM 355 CB TYR A 23 9.934 5.874 -8.111 1.00 0.00 C ATOM 356 CG TYR A 23 9.858 7.246 -7.480 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.732 7.612 -6.462 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.921 8.179 -7.906 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.673 8.867 -5.887 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.856 9.436 -7.335 1.00 0.00 C ATOM 361 CZ TYR A 23 9.734 9.774 -6.327 1.00 0.00 C ATOM 362 OH TYR A 23 9.673 11.026 -5.757 1.00 0.00 O ATOM 0 H TYR A 23 10.550 5.886 -10.724 1.00 0.00 H new ATOM 0 HA TYR A 23 12.060 6.103 -8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.143 5.775 -8.854 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.752 5.117 -7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.469 6.903 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.232 7.918 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.359 9.135 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.121 10.150 -7.677 1.00 0.00 H new ATOM 0 HH TYR A 23 8.957 11.544 -6.181 1.00 0.00 H new ATOM 372 N SER A 24 12.587 3.757 -7.938 1.00 0.00 N ATOM 373 CA SER A 24 13.018 2.374 -7.818 1.00 0.00 C ATOM 374 C SER A 24 12.004 1.564 -7.028 1.00 0.00 C ATOM 375 O SER A 24 11.225 2.114 -6.251 1.00 0.00 O ATOM 376 CB SER A 24 14.389 2.301 -7.141 1.00 0.00 C ATOM 377 OG SER A 24 14.354 2.892 -5.853 1.00 0.00 O ATOM 0 H SER A 24 13.092 4.407 -7.336 1.00 0.00 H new ATOM 0 HA SER A 24 13.096 1.952 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.702 1.260 -7.059 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.130 2.809 -7.758 1.00 0.00 H new ATOM 0 HG SER A 24 15.241 2.831 -5.441 1.00 0.00 H new ATOM 383 N LEU A 25 12.027 0.256 -7.238 1.00 0.00 N ATOM 384 CA LEU A 25 11.116 -0.662 -6.566 1.00 0.00 C ATOM 385 C LEU A 25 10.957 -0.331 -5.082 1.00 0.00 C ATOM 386 O LEU A 25 9.838 -0.193 -4.590 1.00 0.00 O ATOM 387 CB LEU A 25 11.613 -2.098 -6.729 1.00 0.00 C ATOM 388 CG LEU A 25 10.881 -2.916 -7.791 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.616 -4.219 -8.061 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.450 -3.188 -7.357 1.00 0.00 C ATOM 0 H LEU A 25 12.677 -0.200 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 25 10.137 -0.554 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.674 -2.074 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.522 -2.609 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 25 10.857 -2.340 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.080 -4.789 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.624 -4.002 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.672 -4.802 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.942 -3.772 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.454 -3.745 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.927 -2.242 -7.215 1.00 0.00 H new ATOM 402 N GLY A 26 12.078 -0.227 -4.373 1.00 0.00 N ATOM 403 CA GLY A 26 12.045 0.067 -2.948 1.00 0.00 C ATOM 404 C GLY A 26 11.082 1.182 -2.576 1.00 0.00 C ATOM 405 O GLY A 26 10.418 1.111 -1.541 1.00 0.00 O ATOM 0 H GLY A 26 13.014 -0.342 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.767 -0.837 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.048 0.340 -2.619 1.00 0.00 H new ATOM 409 N ASN A 27 11.006 2.215 -3.408 1.00 0.00 N ATOM 410 CA ASN A 27 10.120 3.346 -3.144 1.00 0.00 C ATOM 411 C ASN A 27 8.654 2.938 -3.264 1.00 0.00 C ATOM 412 O ASN A 27 7.792 3.458 -2.556 1.00 0.00 O ATOM 413 CB ASN A 27 10.421 4.493 -4.110 1.00 0.00 C ATOM 414 CG ASN A 27 11.849 4.989 -3.991 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.323 5.299 -2.898 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.543 5.066 -5.121 1.00 0.00 N ATOM 0 H ASN A 27 11.546 2.294 -4.270 1.00 0.00 H new ATOM 0 HA ASN A 27 10.300 3.680 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.239 4.161 -5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.735 5.318 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.509 5.393 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.110 4.799 -6.005 1.00 0.00 H new ATOM 423 N TRP A 28 8.384 2.005 -4.168 1.00 0.00 N ATOM 424 CA TRP A 28 7.030 1.516 -4.399 1.00 0.00 C ATOM 425 C TRP A 28 6.602 0.534 -3.320 1.00 0.00 C ATOM 426 O TRP A 28 5.423 0.459 -2.974 1.00 0.00 O ATOM 427 CB TRP A 28 6.946 0.873 -5.774 1.00 0.00 C ATOM 428 CG TRP A 28 7.366 1.813 -6.851 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.617 1.968 -7.352 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.536 2.747 -7.537 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.623 2.947 -8.309 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.357 3.441 -8.446 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.179 3.058 -7.471 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.869 4.438 -9.284 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.680 4.042 -8.299 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.524 4.728 -9.200 1.00 0.00 C ATOM 0 H TRP A 28 9.092 1.568 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 28 6.346 2.364 -4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.578 -0.015 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.924 0.542 -5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.482 1.402 -7.041 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.440 3.257 -8.834 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.529 2.537 -6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.516 4.963 -9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.630 4.291 -8.258 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.107 5.495 -9.836 1.00 0.00 H new ATOM 447 N VAL A 29 7.558 -0.218 -2.787 1.00 0.00 N ATOM 448 CA VAL A 29 7.263 -1.188 -1.745 1.00 0.00 C ATOM 449 C VAL A 29 6.983 -0.492 -0.422 1.00 0.00 C ATOM 450 O VAL A 29 5.989 -0.780 0.242 1.00 0.00 O ATOM 451 CB VAL A 29 8.427 -2.181 -1.561 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.154 -3.129 -0.403 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.671 -2.955 -2.848 1.00 0.00 C ATOM 0 H VAL A 29 8.540 -0.173 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 29 6.376 -1.739 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 29 9.327 -1.614 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.990 -3.820 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.034 -2.556 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.242 -3.692 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.496 -3.652 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.771 -3.509 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.921 -2.259 -3.649 1.00 0.00 H new ATOM 463 N CYS A 30 7.868 0.420 -0.041 1.00 0.00 N ATOM 464 CA CYS A 30 7.714 1.153 1.207 1.00 0.00 C ATOM 465 C CYS A 30 6.430 1.977 1.206 1.00 0.00 C ATOM 466 O CYS A 30 5.695 1.993 2.194 1.00 0.00 O ATOM 467 CB CYS A 30 8.918 2.065 1.441 1.00 0.00 C ATOM 468 SG CYS A 30 9.016 2.741 3.128 1.00 0.00 S ATOM 0 H CYS A 30 8.699 0.669 -0.578 1.00 0.00 H new ATOM 0 HA CYS A 30 7.654 0.426 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.830 1.507 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.879 2.891 0.731 1.00 0.00 H new ATOM 473 N ALA A 31 6.164 2.665 0.097 1.00 0.00 N ATOM 474 CA ALA A 31 4.970 3.493 -0.018 1.00 0.00 C ATOM 475 C ALA A 31 3.702 2.656 0.081 1.00 0.00 C ATOM 476 O ALA A 31 2.770 3.010 0.801 1.00 0.00 O ATOM 477 CB ALA A 31 4.990 4.260 -1.331 1.00 0.00 C ATOM 0 H ALA A 31 6.759 2.664 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 31 4.971 4.200 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.093 4.875 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.873 4.899 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.018 3.556 -2.163 1.00 0.00 H new ATOM 483 N ALA A 32 3.673 1.545 -0.648 1.00 0.00 N ATOM 484 CA ALA A 32 2.515 0.660 -0.647 1.00 0.00 C ATOM 485 C ALA A 32 2.341 -0.029 0.702 1.00 0.00 C ATOM 486 O ALA A 32 1.221 -0.185 1.186 1.00 0.00 O ATOM 487 CB ALA A 32 2.641 -0.370 -1.758 1.00 0.00 C ATOM 0 H ALA A 32 4.439 1.237 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 32 1.627 1.267 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.770 -1.025 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.701 0.138 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.543 -0.963 -1.604 1.00 0.00 H new ATOM 493 N LYS A 33 3.451 -0.453 1.299 1.00 0.00 N ATOM 494 CA LYS A 33 3.418 -1.139 2.586 1.00 0.00 C ATOM 495 C LYS A 33 2.704 -0.314 3.649 1.00 0.00 C ATOM 496 O LYS A 33 1.793 -0.796 4.313 1.00 0.00 O ATOM 497 CB LYS A 33 4.841 -1.451 3.054 1.00 0.00 C ATOM 498 CG LYS A 33 4.900 -2.447 4.201 1.00 0.00 C ATOM 499 CD LYS A 33 6.051 -2.142 5.145 1.00 0.00 C ATOM 500 CE LYS A 33 6.632 -3.412 5.745 1.00 0.00 C ATOM 501 NZ LYS A 33 5.624 -4.159 6.546 1.00 0.00 N ATOM 0 H LYS A 33 4.387 -0.333 0.911 1.00 0.00 H new ATOM 0 HA LYS A 33 2.863 -2.066 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.413 -1.843 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.324 -0.524 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.960 -2.424 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.012 -3.456 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.831 -1.603 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.704 -1.487 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.008 -4.052 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.483 -3.159 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.076 -4.982 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.234 -3.536 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.856 -4.482 5.923 1.00 0.00 H new ATOM 515 N PHE A 34 3.140 0.921 3.833 1.00 0.00 N ATOM 516 CA PHE A 34 2.545 1.778 4.846 1.00 0.00 C ATOM 517 C PHE A 34 1.219 2.371 4.403 1.00 0.00 C ATOM 518 O PHE A 34 0.447 2.861 5.227 1.00 0.00 O ATOM 519 CB PHE A 34 3.508 2.875 5.251 1.00 0.00 C ATOM 520 CG PHE A 34 4.382 2.510 6.417 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.888 2.548 7.710 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.700 2.127 6.217 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.690 2.212 8.784 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.506 1.790 7.288 1.00 0.00 C ATOM 525 CZ PHE A 34 6.001 1.833 8.572 1.00 0.00 C ATOM 0 H PHE A 34 3.897 1.350 3.300 1.00 0.00 H new ATOM 0 HA PHE A 34 2.339 1.148 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.140 3.125 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.940 3.771 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.864 2.844 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.100 2.092 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.292 2.246 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.531 1.493 7.120 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.630 1.571 9.410 1.00 0.00 H new ATOM 535 N GLU A 35 0.947 2.332 3.107 1.00 0.00 N ATOM 536 CA GLU A 35 -0.294 2.874 2.583 1.00 0.00 C ATOM 537 C GLU A 35 -1.446 1.895 2.768 1.00 0.00 C ATOM 538 O GLU A 35 -2.516 2.259 3.256 1.00 0.00 O ATOM 539 CB GLU A 35 -0.133 3.193 1.096 1.00 0.00 C ATOM 540 CG GLU A 35 -0.211 4.678 0.772 1.00 0.00 C ATOM 541 CD GLU A 35 -1.257 5.409 1.592 1.00 0.00 C ATOM 542 OE1 GLU A 35 -2.375 4.873 1.746 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.958 6.519 2.081 1.00 0.00 O ATOM 0 H GLU A 35 1.567 1.932 2.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.524 3.785 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.827 2.806 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.907 2.668 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.764 5.134 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.436 4.802 -0.287 1.00 0.00 H new ATOM 550 N SER A 36 -1.232 0.663 2.326 1.00 0.00 N ATOM 551 CA SER A 36 -2.269 -0.364 2.390 1.00 0.00 C ATOM 552 C SER A 36 -1.759 -1.670 2.987 1.00 0.00 C ATOM 553 O SER A 36 -2.516 -2.633 3.110 1.00 0.00 O ATOM 554 CB SER A 36 -2.803 -0.635 0.979 1.00 0.00 C ATOM 555 OG SER A 36 -1.761 -1.057 0.116 1.00 0.00 O ATOM 0 H SER A 36 -0.351 0.348 1.919 1.00 0.00 H new ATOM 0 HA SER A 36 -3.059 0.012 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.579 -1.400 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.266 0.268 0.582 1.00 0.00 H new ATOM 0 HG SER A 36 -1.490 -0.311 -0.459 1.00 0.00 H new ATOM 561 N ASN A 37 -0.478 -1.716 3.330 1.00 0.00 N ATOM 562 CA ASN A 37 0.108 -2.932 3.881 1.00 0.00 C ATOM 563 C ASN A 37 -0.015 -4.055 2.862 1.00 0.00 C ATOM 564 O ASN A 37 -0.066 -5.226 3.214 1.00 0.00 O ATOM 565 CB ASN A 37 -0.583 -3.324 5.191 1.00 0.00 C ATOM 566 CG ASN A 37 0.194 -2.870 6.412 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.380 -3.165 6.554 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.475 -2.146 7.302 1.00 0.00 N ATOM 0 H ASN A 37 0.170 -0.934 3.238 1.00 0.00 H new ATOM 0 HA ASN A 37 1.161 -2.752 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.582 -2.888 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.706 -4.406 5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.006 -1.811 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.458 -1.925 7.144 1.00 0.00 H new ATOM 575 N PHE A 38 -0.052 -3.654 1.592 1.00 0.00 N ATOM 576 CA PHE A 38 -0.163 -4.556 0.457 1.00 0.00 C ATOM 577 C PHE A 38 -1.515 -5.250 0.430 1.00 0.00 C ATOM 578 O PHE A 38 -1.662 -6.312 -0.164 1.00 0.00 O ATOM 579 CB PHE A 38 0.988 -5.565 0.445 1.00 0.00 C ATOM 580 CG PHE A 38 2.334 -4.901 0.493 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.644 -3.881 -0.394 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.284 -5.283 1.425 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.873 -3.256 -0.353 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.518 -4.661 1.470 1.00 0.00 C ATOM 585 CZ PHE A 38 4.812 -3.647 0.579 1.00 0.00 C ATOM 0 H PHE A 38 -0.004 -2.671 1.323 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.089 -3.959 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.887 -6.237 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.920 -6.178 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.913 -3.572 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.059 -6.075 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.100 -2.462 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.251 -4.968 2.201 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.776 -3.161 0.612 1.00 0.00 H new ATOM 595 N ASN A 39 -2.515 -4.623 1.039 1.00 0.00 N ATOM 596 CA ASN A 39 -3.859 -5.182 1.045 1.00 0.00 C ATOM 597 C ASN A 39 -4.540 -4.862 -0.276 1.00 0.00 C ATOM 598 O ASN A 39 -4.774 -3.698 -0.604 1.00 0.00 O ATOM 599 CB ASN A 39 -4.668 -4.638 2.222 1.00 0.00 C ATOM 600 CG ASN A 39 -6.066 -5.221 2.285 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.363 -6.226 1.638 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.935 -4.592 3.068 1.00 0.00 N ATOM 0 H ASN A 39 -2.421 -3.734 1.531 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.798 -6.264 1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.144 -4.859 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.734 -3.553 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.891 -4.939 3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.647 -3.762 3.587 1.00 0.00 H new ATOM 609 N THR A 40 -4.813 -5.903 -1.044 1.00 0.00 N ATOM 610 CA THR A 40 -5.420 -5.755 -2.354 1.00 0.00 C ATOM 611 C THR A 40 -6.804 -5.161 -2.227 1.00 0.00 C ATOM 612 O THR A 40 -7.363 -4.620 -3.183 1.00 0.00 O ATOM 613 CB THR A 40 -5.513 -7.112 -3.076 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.776 -7.730 -2.803 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.396 -8.042 -2.629 1.00 0.00 C ATOM 0 H THR A 40 -4.621 -6.869 -0.778 1.00 0.00 H new ATOM 0 HA THR A 40 -4.789 -5.087 -2.940 1.00 0.00 H new ATOM 0 HB THR A 40 -5.416 -6.930 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.304 -7.774 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.483 -8.994 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.432 -7.589 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.471 -8.211 -1.555 1.00 0.00 H new ATOM 623 N GLN A 41 -7.357 -5.295 -1.038 1.00 0.00 N ATOM 624 CA GLN A 41 -8.688 -4.813 -0.743 1.00 0.00 C ATOM 625 C GLN A 41 -8.673 -3.592 0.180 1.00 0.00 C ATOM 626 O GLN A 41 -9.726 -3.117 0.605 1.00 0.00 O ATOM 627 CB GLN A 41 -9.464 -5.950 -0.094 1.00 0.00 C ATOM 628 CG GLN A 41 -10.260 -6.792 -1.077 1.00 0.00 C ATOM 629 CD GLN A 41 -10.343 -8.249 -0.663 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.711 -9.114 -1.268 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.125 -8.526 0.373 1.00 0.00 N ATOM 0 H GLN A 41 -6.893 -5.743 -0.248 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.161 -4.495 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.766 -6.595 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.145 -5.534 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.267 -6.385 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.801 -6.724 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.631 -7.776 0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.220 -9.488 0.697 1.00 0.00 H new ATOM 640 N ALA A 42 -7.481 -3.103 0.507 1.00 0.00 N ATOM 641 CA ALA A 42 -7.340 -1.955 1.402 1.00 0.00 C ATOM 642 C ALA A 42 -8.006 -0.692 0.863 1.00 0.00 C ATOM 643 O ALA A 42 -7.686 -0.217 -0.231 1.00 0.00 O ATOM 644 CB ALA A 42 -5.874 -1.677 1.674 1.00 0.00 C ATOM 0 H ALA A 42 -6.597 -3.482 0.167 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.851 -2.221 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.784 -0.820 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.419 -2.550 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.364 -1.461 0.735 1.00 0.00 H new ATOM 650 N THR A 43 -8.915 -0.144 1.664 1.00 0.00 N ATOM 651 CA THR A 43 -9.626 1.080 1.321 1.00 0.00 C ATOM 652 C THR A 43 -9.428 2.114 2.429 1.00 0.00 C ATOM 653 O THR A 43 -9.562 1.790 3.610 1.00 0.00 O ATOM 654 CB THR A 43 -11.134 0.825 1.139 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.807 0.937 2.399 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.385 -0.553 0.547 1.00 0.00 C ATOM 0 H THR A 43 -9.178 -0.537 2.568 1.00 0.00 H new ATOM 0 HA THR A 43 -9.222 1.449 0.378 1.00 0.00 H new ATOM 0 HB THR A 43 -11.524 1.575 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.153 0.872 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.457 -0.708 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.898 -0.625 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.980 -1.315 1.213 1.00 0.00 H new ATOM 664 N ASN A 44 -9.100 3.351 2.062 1.00 0.00 N ATOM 665 CA ASN A 44 -8.881 4.400 3.057 1.00 0.00 C ATOM 666 C ASN A 44 -9.723 5.635 2.755 1.00 0.00 C ATOM 667 O ASN A 44 -9.439 6.377 1.814 1.00 0.00 O ATOM 668 CB ASN A 44 -7.400 4.779 3.108 1.00 0.00 C ATOM 669 CG ASN A 44 -6.947 5.158 4.505 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.060 4.524 5.075 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.559 6.196 5.064 1.00 0.00 N ATOM 0 H ASN A 44 -8.981 3.650 1.094 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.187 4.009 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.801 3.942 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.218 5.614 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.298 6.496 6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.290 6.693 4.554 1.00 0.00 H new ATOM 678 N ARG A 45 -10.761 5.850 3.560 1.00 0.00 N ATOM 679 CA ARG A 45 -11.649 6.994 3.378 1.00 0.00 C ATOM 680 C ARG A 45 -11.064 8.255 4.009 1.00 0.00 C ATOM 681 O ARG A 45 -10.721 8.269 5.192 1.00 0.00 O ATOM 682 CB ARG A 45 -13.022 6.699 3.984 1.00 0.00 C ATOM 683 CG ARG A 45 -13.614 5.373 3.536 1.00 0.00 C ATOM 684 CD ARG A 45 -14.614 4.839 4.548 1.00 0.00 C ATOM 685 NE ARG A 45 -13.971 4.025 5.575 1.00 0.00 N ATOM 686 CZ ARG A 45 -14.181 4.181 6.879 1.00 0.00 C ATOM 687 NH1 ARG A 45 -15.015 5.117 7.312 1.00 0.00 N ATOM 688 NH2 ARG A 45 -13.557 3.401 7.750 1.00 0.00 N ATOM 0 H ARG A 45 -11.007 5.247 4.345 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.757 7.167 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.938 6.701 5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.708 7.502 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.104 5.500 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.815 4.646 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.133 5.673 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.368 4.244 4.033 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.324 3.295 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.497 5.719 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.174 5.235 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.915 2.680 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.719 3.522 8.750 1.00 0.00 H new ATOM 702 N ASN A 46 -10.957 9.313 3.210 1.00 0.00 N ATOM 703 CA ASN A 46 -10.420 10.585 3.682 1.00 0.00 C ATOM 704 C ASN A 46 -11.538 11.599 3.901 1.00 0.00 C ATOM 705 O ASN A 46 -12.708 11.314 3.647 1.00 0.00 O ATOM 706 CB ASN A 46 -9.404 11.136 2.681 1.00 0.00 C ATOM 707 CG ASN A 46 -8.538 10.047 2.077 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.835 9.331 2.790 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.585 9.918 0.757 1.00 0.00 N ATOM 0 H ASN A 46 -11.236 9.314 2.229 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.921 10.410 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.931 11.661 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.768 11.868 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.024 9.203 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.182 10.534 0.205 1.00 0.00 H new ATOM 716 N THR A 47 -11.167 12.781 4.381 1.00 0.00 N ATOM 717 CA THR A 47 -12.137 13.840 4.644 1.00 0.00 C ATOM 718 C THR A 47 -12.241 14.813 3.472 1.00 0.00 C ATOM 719 O THR A 47 -13.226 15.540 3.346 1.00 0.00 O ATOM 720 CB THR A 47 -11.773 14.628 5.916 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.434 15.128 5.816 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.902 13.749 7.151 1.00 0.00 C ATOM 0 H THR A 47 -10.202 13.031 4.596 1.00 0.00 H new ATOM 0 HA THR A 47 -13.100 13.350 4.785 1.00 0.00 H new ATOM 0 HB THR A 47 -12.466 15.464 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.211 15.629 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.640 14.326 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.929 13.394 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.230 12.896 7.062 1.00 0.00 H new ATOM 730 N ASP A 48 -11.221 14.826 2.618 1.00 0.00 N ATOM 731 CA ASP A 48 -11.205 15.716 1.460 1.00 0.00 C ATOM 732 C ASP A 48 -12.315 15.356 0.475 1.00 0.00 C ATOM 733 O ASP A 48 -12.634 16.132 -0.426 1.00 0.00 O ATOM 734 CB ASP A 48 -9.845 15.657 0.762 1.00 0.00 C ATOM 735 CG ASP A 48 -9.562 14.297 0.155 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.142 13.299 0.634 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.759 14.228 -0.800 1.00 0.00 O ATOM 0 H ASP A 48 -10.396 14.232 2.705 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.379 16.732 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.809 16.415 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.061 15.901 1.479 1.00 0.00 H new ATOM 742 N GLY A 49 -12.898 14.176 0.656 1.00 0.00 N ATOM 743 CA GLY A 49 -13.969 13.733 -0.219 1.00 0.00 C ATOM 744 C GLY A 49 -13.516 12.676 -1.207 1.00 0.00 C ATOM 745 O GLY A 49 -13.899 12.705 -2.377 1.00 0.00 O ATOM 0 H GLY A 49 -12.648 13.517 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.785 13.335 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.365 14.589 -0.765 1.00 0.00 H new ATOM 749 N SER A 50 -12.705 11.738 -0.733 1.00 0.00 N ATOM 750 CA SER A 50 -12.203 10.663 -1.581 1.00 0.00 C ATOM 751 C SER A 50 -11.786 9.457 -0.749 1.00 0.00 C ATOM 752 O SER A 50 -11.884 9.469 0.477 1.00 0.00 O ATOM 753 CB SER A 50 -11.023 11.149 -2.425 1.00 0.00 C ATOM 754 OG SER A 50 -10.305 12.172 -1.761 1.00 0.00 O ATOM 0 H SER A 50 -12.381 11.700 0.233 1.00 0.00 H new ATOM 0 HA SER A 50 -13.012 10.359 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.357 10.313 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.386 11.520 -3.383 1.00 0.00 H new ATOM 0 HG SER A 50 -10.314 12.004 -0.795 1.00 0.00 H new ATOM 760 N THR A 51 -11.327 8.414 -1.431 1.00 0.00 N ATOM 761 CA THR A 51 -10.901 7.192 -0.763 1.00 0.00 C ATOM 762 C THR A 51 -9.685 6.579 -1.449 1.00 0.00 C ATOM 763 O THR A 51 -9.299 6.998 -2.539 1.00 0.00 O ATOM 764 CB THR A 51 -12.038 6.155 -0.735 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.305 6.820 -0.667 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.892 5.213 0.449 1.00 0.00 C ATOM 0 H THR A 51 -11.241 8.391 -2.447 1.00 0.00 H new ATOM 0 HA THR A 51 -10.633 7.463 0.258 1.00 0.00 H new ATOM 0 HB THR A 51 -11.982 5.567 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.023 6.175 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.709 4.492 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.941 4.685 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.921 5.786 1.376 1.00 0.00 H new ATOM 774 N ASP A 52 -9.088 5.585 -0.801 1.00 0.00 N ATOM 775 CA ASP A 52 -7.915 4.906 -1.343 1.00 0.00 C ATOM 776 C ASP A 52 -8.193 3.426 -1.528 1.00 0.00 C ATOM 777 O ASP A 52 -7.879 2.609 -0.664 1.00 0.00 O ATOM 778 CB ASP A 52 -6.713 5.103 -0.417 1.00 0.00 C ATOM 779 CG ASP A 52 -6.290 6.556 -0.320 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.053 7.177 -1.378 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.197 7.073 0.813 1.00 0.00 O ATOM 0 H ASP A 52 -9.398 5.230 0.104 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.686 5.340 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.960 4.732 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.876 4.507 -0.781 1.00 0.00 H new ATOM 786 N TYR A 53 -8.784 3.087 -2.668 1.00 0.00 N ATOM 787 CA TYR A 53 -9.101 1.703 -2.967 1.00 0.00 C ATOM 788 C TYR A 53 -8.009 1.067 -3.814 1.00 0.00 C ATOM 789 O TYR A 53 -8.129 0.999 -5.034 1.00 0.00 O ATOM 790 CB TYR A 53 -10.430 1.589 -3.718 1.00 0.00 C ATOM 791 CG TYR A 53 -11.604 2.269 -3.049 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.156 1.759 -1.883 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.174 3.409 -3.601 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.240 2.368 -1.281 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.260 4.023 -3.007 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.789 3.498 -1.847 1.00 0.00 C ATOM 797 OH TYR A 53 -14.871 4.106 -1.252 1.00 0.00 O ATOM 0 H TYR A 53 -9.051 3.751 -3.395 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.178 1.180 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.304 2.012 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.667 0.533 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.731 0.871 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.762 3.822 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.655 1.960 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.692 4.909 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.837 3.960 -0.284 1.00 0.00 H new ATOM 807 N GLY A 54 -6.926 0.625 -3.192 1.00 0.00 N ATOM 808 CA GLY A 54 -5.859 0.015 -3.961 1.00 0.00 C ATOM 809 C GLY A 54 -4.590 -0.152 -3.156 1.00 0.00 C ATOM 810 O GLY A 54 -4.403 0.523 -2.143 1.00 0.00 O ATOM 0 H GLY A 54 -6.767 0.676 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.187 -0.959 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.651 0.628 -4.838 1.00 0.00 H new ATOM 814 N ILE A 55 -3.700 -1.029 -3.613 1.00 0.00 N ATOM 815 CA ILE A 55 -2.435 -1.234 -2.925 1.00 0.00 C ATOM 816 C ILE A 55 -1.621 0.046 -3.021 1.00 0.00 C ATOM 817 O ILE A 55 -0.824 0.367 -2.138 1.00 0.00 O ATOM 818 CB ILE A 55 -1.633 -2.412 -3.520 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.451 -2.762 -2.614 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.150 -2.072 -4.919 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.193 -4.091 -2.948 1.00 0.00 C ATOM 0 H ILE A 55 -3.831 -1.601 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.644 -1.483 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.288 -3.281 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.299 -1.975 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.791 -2.782 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.587 -2.913 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.007 -1.867 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.509 -1.191 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.023 -4.274 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.543 -4.888 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.563 -4.069 -3.973 1.00 0.00 H new ATOM 833 N LEU A 56 -1.874 0.797 -4.092 1.00 0.00 N ATOM 834 CA LEU A 56 -1.218 2.075 -4.313 1.00 0.00 C ATOM 835 C LEU A 56 -2.224 3.197 -4.066 1.00 0.00 C ATOM 836 O LEU A 56 -1.963 4.355 -4.380 1.00 0.00 O ATOM 837 CB LEU A 56 -0.639 2.178 -5.738 1.00 0.00 C ATOM 838 CG LEU A 56 0.883 2.405 -5.824 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.360 3.325 -4.708 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.616 1.073 -5.764 1.00 0.00 C ATOM 0 H LEU A 56 -2.535 0.535 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.383 2.163 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.883 1.262 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.140 2.996 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 56 1.105 2.887 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.437 3.469 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.857 4.289 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.127 2.876 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.690 1.246 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.382 0.571 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.301 0.446 -6.598 1.00 0.00 H new ATOM 852 N GLN A 57 -3.376 2.834 -3.484 1.00 0.00 N ATOM 853 CA GLN A 57 -4.442 3.787 -3.162 1.00 0.00 C ATOM 854 C GLN A 57 -5.131 4.336 -4.408 1.00 0.00 C ATOM 855 O GLN A 57 -4.866 5.467 -4.815 1.00 0.00 O ATOM 856 CB GLN A 57 -3.889 4.948 -2.327 1.00 0.00 C ATOM 857 CG GLN A 57 -2.941 4.516 -1.219 1.00 0.00 C ATOM 858 CD GLN A 57 -3.375 3.231 -0.541 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.346 3.212 0.217 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.655 2.149 -0.809 1.00 0.00 N ATOM 0 H GLN A 57 -3.593 1.872 -3.224 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.188 3.240 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.368 5.641 -2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.723 5.494 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.942 4.383 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.874 5.309 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.858 2.211 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.898 1.256 -0.381 1.00 0.00 H new ATOM 869 N ILE A 58 -6.010 3.541 -5.026 1.00 0.00 N ATOM 870 CA ILE A 58 -6.694 3.991 -6.218 1.00 0.00 C ATOM 871 C ILE A 58 -7.972 4.719 -5.857 1.00 0.00 C ATOM 872 O ILE A 58 -9.020 4.104 -5.658 1.00 0.00 O ATOM 873 CB ILE A 58 -7.012 2.822 -7.167 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.789 1.908 -7.317 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.457 3.348 -8.523 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.493 2.651 -7.570 1.00 0.00 C ATOM 0 H ILE A 58 -6.255 2.600 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.023 4.676 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.827 2.238 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.682 1.309 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.965 1.214 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.678 2.510 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.351 3.960 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.661 3.952 -8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.676 1.936 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.578 3.228 -8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.291 3.324 -6.737 1.00 0.00 H new ATOM 888 N ASN A 59 -7.875 6.037 -5.774 1.00 0.00 N ATOM 889 CA ASN A 59 -9.021 6.859 -5.446 1.00 0.00 C ATOM 890 C ASN A 59 -10.082 6.697 -6.520 1.00 0.00 C ATOM 891 O ASN A 59 -9.977 7.285 -7.596 1.00 0.00 O ATOM 892 CB ASN A 59 -8.605 8.326 -5.331 1.00 0.00 C ATOM 893 CG ASN A 59 -9.773 9.240 -5.015 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.835 8.785 -4.586 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.583 10.536 -5.226 1.00 0.00 N ATOM 0 H ASN A 59 -7.012 6.557 -5.930 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.429 6.541 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.849 8.426 -4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.143 8.643 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.333 11.200 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.687 10.869 -5.582 1.00 0.00 H new ATOM 902 N SER A 60 -11.104 5.902 -6.231 1.00 0.00 N ATOM 903 CA SER A 60 -12.181 5.673 -7.189 1.00 0.00 C ATOM 904 C SER A 60 -12.970 6.952 -7.467 1.00 0.00 C ATOM 905 O SER A 60 -13.681 7.044 -8.465 1.00 0.00 O ATOM 906 CB SER A 60 -13.127 4.590 -6.668 1.00 0.00 C ATOM 907 OG SER A 60 -14.143 5.148 -5.852 1.00 0.00 O ATOM 0 H SER A 60 -11.211 5.407 -5.346 1.00 0.00 H new ATOM 0 HA SER A 60 -11.726 5.345 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.580 4.063 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.562 3.853 -6.097 1.00 0.00 H new ATOM 0 HG SER A 60 -14.987 5.169 -6.349 1.00 0.00 H new ATOM 913 N ARG A 61 -12.842 7.941 -6.586 1.00 0.00 N ATOM 914 CA ARG A 61 -13.548 9.206 -6.761 1.00 0.00 C ATOM 915 C ARG A 61 -12.713 10.173 -7.591 1.00 0.00 C ATOM 916 O ARG A 61 -12.947 11.382 -7.584 1.00 0.00 O ATOM 917 CB ARG A 61 -13.872 9.828 -5.401 1.00 0.00 C ATOM 918 CG ARG A 61 -15.109 10.711 -5.414 1.00 0.00 C ATOM 919 CD ARG A 61 -16.255 10.077 -4.642 1.00 0.00 C ATOM 920 NE ARG A 61 -16.964 11.052 -3.817 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.827 11.939 -4.301 1.00 0.00 C ATOM 922 NH1 ARG A 61 -18.088 11.975 -5.600 1.00 0.00 N ATOM 923 NH2 ARG A 61 -18.431 12.791 -3.484 1.00 0.00 N ATOM 0 H ARG A 61 -12.260 7.891 -5.750 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.481 9.008 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.013 9.031 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.018 10.418 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.869 11.681 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.418 10.891 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.953 9.618 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.868 9.279 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.787 11.052 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.626 11.321 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.751 12.657 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.233 12.766 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.093 13.472 -3.856 1.00 0.00 H new ATOM 937 N TRP A 62 -11.738 9.625 -8.307 1.00 0.00 N ATOM 938 CA TRP A 62 -10.863 10.436 -9.148 1.00 0.00 C ATOM 939 C TRP A 62 -10.128 9.610 -10.208 1.00 0.00 C ATOM 940 O TRP A 62 -9.435 10.173 -11.055 1.00 0.00 O ATOM 941 CB TRP A 62 -9.847 11.179 -8.281 1.00 0.00 C ATOM 942 CG TRP A 62 -9.464 12.519 -8.831 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.384 12.806 -9.615 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.160 13.756 -8.638 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.365 14.146 -9.921 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.445 14.750 -9.333 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.319 14.120 -7.945 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.852 16.082 -9.355 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.721 15.442 -7.967 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.988 16.409 -8.667 1.00 0.00 C ATOM 0 H TRP A 62 -11.533 8.626 -8.323 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.500 11.147 -9.675 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.260 11.309 -7.281 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.951 10.567 -8.178 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.651 12.085 -9.947 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.662 14.614 -10.492 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.890 13.381 -7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.291 16.830 -9.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.615 15.734 -7.436 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.327 17.434 -8.663 1.00 0.00 H new ATOM 961 N TRP A 63 -10.251 8.281 -10.158 1.00 0.00 N ATOM 962 CA TRP A 63 -9.558 7.431 -11.118 1.00 0.00 C ATOM 963 C TRP A 63 -10.489 6.413 -11.768 1.00 0.00 C ATOM 964 O TRP A 63 -10.787 6.503 -12.959 1.00 0.00 O ATOM 965 CB TRP A 63 -8.399 6.704 -10.426 1.00 0.00 C ATOM 966 CG TRP A 63 -7.297 7.628 -10.013 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.708 7.733 -8.784 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.664 8.594 -10.844 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.737 8.709 -8.813 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.695 9.254 -10.072 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.830 8.957 -12.174 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.893 10.265 -10.597 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.046 9.954 -12.697 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.083 10.605 -11.911 1.00 0.00 C ATOM 0 H TRP A 63 -10.816 7.780 -9.472 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.176 8.077 -11.909 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.777 6.182 -9.547 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.998 5.946 -11.099 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.966 7.139 -7.919 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.146 8.982 -8.028 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.567 8.461 -12.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.150 10.762 -9.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.172 10.242 -13.730 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.481 11.387 -12.349 1.00 0.00 H new ATOM 985 N CYS A 64 -10.916 5.431 -10.990 1.00 0.00 N ATOM 986 CA CYS A 64 -11.782 4.380 -11.510 1.00 0.00 C ATOM 987 C CYS A 64 -13.254 4.677 -11.281 1.00 0.00 C ATOM 988 O CYS A 64 -13.623 5.459 -10.408 1.00 0.00 O ATOM 989 CB CYS A 64 -11.421 3.028 -10.887 1.00 0.00 C ATOM 990 SG CYS A 64 -12.087 2.766 -9.209 1.00 0.00 S ATOM 0 H CYS A 64 -10.680 5.338 -10.002 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.618 4.340 -12.587 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.787 2.233 -11.537 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.335 2.937 -10.852 1.00 0.00 H new ATOM 995 N ASN A 65 -14.090 4.029 -12.085 1.00 0.00 N ATOM 996 CA ASN A 65 -15.536 4.198 -11.993 1.00 0.00 C ATOM 997 C ASN A 65 -16.160 3.054 -11.201 1.00 0.00 C ATOM 998 O ASN A 65 -16.190 1.912 -11.661 1.00 0.00 O ATOM 999 CB ASN A 65 -16.154 4.266 -13.390 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.621 4.650 -13.355 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.494 3.844 -13.676 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.899 5.889 -12.963 1.00 0.00 N ATOM 0 H ASN A 65 -13.789 3.379 -12.811 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.739 5.134 -11.472 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.606 4.991 -13.992 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.046 3.298 -13.880 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.868 6.205 -12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.143 6.524 -12.706 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.653 3.367 -10.007 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.271 2.362 -9.149 1.00 0.00 C ATOM 1011 C ASP A 66 -18.790 2.378 -9.286 1.00 0.00 C ATOM 1012 O ASP A 66 -19.462 1.402 -8.953 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.876 2.597 -7.690 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.186 4.006 -7.225 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.451 4.936 -7.620 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.163 4.180 -6.468 1.00 0.00 O ATOM 0 H ASP A 66 -16.637 4.307 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.911 1.383 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.402 1.884 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.810 2.404 -7.570 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.327 3.489 -9.782 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.764 3.605 -9.959 1.00 0.00 C ATOM 1023 C GLY A 67 -21.506 3.781 -8.647 1.00 0.00 C ATOM 1024 O GLY A 67 -22.699 4.085 -8.640 1.00 0.00 O ATOM 0 H GLY A 67 -18.793 4.311 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.978 4.454 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.136 2.714 -10.465 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.803 3.587 -7.535 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.409 3.725 -6.215 1.00 0.00 C ATOM 1030 C ARG A 68 -21.355 5.173 -5.738 1.00 0.00 C ATOM 1031 O ARG A 68 -21.814 5.492 -4.641 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.698 2.817 -5.208 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.644 1.923 -4.423 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.596 2.233 -2.935 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.831 1.850 -2.256 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.556 2.684 -1.518 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.171 3.944 -1.363 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.668 2.258 -0.932 1.00 0.00 N ATOM 0 H ARG A 68 -19.815 3.334 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.455 3.426 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.978 2.194 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.132 3.435 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.661 2.056 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.380 0.878 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.755 1.707 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.420 3.299 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.155 0.888 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.316 4.275 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.730 4.582 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.967 1.290 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.224 2.899 -0.366 1.00 0.00 H new ATOM 1052 N THR A 69 -20.792 6.044 -6.569 1.00 0.00 N ATOM 1053 CA THR A 69 -20.679 7.458 -6.231 1.00 0.00 C ATOM 1054 C THR A 69 -20.672 8.325 -7.488 1.00 0.00 C ATOM 1055 O THR A 69 -19.729 8.275 -8.278 1.00 0.00 O ATOM 1056 CB THR A 69 -19.402 7.743 -5.419 1.00 0.00 C ATOM 1057 OG1 THR A 69 -19.050 6.595 -4.638 1.00 0.00 O ATOM 1058 CG2 THR A 69 -19.600 8.943 -4.505 1.00 0.00 C ATOM 0 H THR A 69 -20.407 5.796 -7.480 1.00 0.00 H new ATOM 0 HA THR A 69 -21.549 7.707 -5.624 1.00 0.00 H new ATOM 0 HB THR A 69 -18.596 7.966 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.661 5.910 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.685 9.126 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.838 9.822 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.418 8.743 -3.814 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.725 9.137 -7.692 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.830 10.016 -8.861 1.00 0.00 C ATOM 1068 C PRO A 70 -20.815 11.153 -8.821 1.00 0.00 C ATOM 1069 O PRO A 70 -20.831 11.982 -7.911 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.255 10.567 -8.769 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.602 10.481 -7.323 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.895 9.263 -6.800 1.00 0.00 C ATOM 0 HA PRO A 70 -21.626 9.484 -9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.306 11.595 -9.128 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.945 9.983 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.282 11.377 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.680 10.396 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.595 9.388 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.531 8.379 -6.844 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.932 11.186 -9.815 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.921 12.225 -9.876 1.00 0.00 C ATOM 1082 C GLY A 71 -17.537 11.675 -10.161 1.00 0.00 C ATOM 1083 O GLY A 71 -16.547 12.404 -10.101 1.00 0.00 O ATOM 0 H GLY A 71 -19.899 10.511 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.189 12.943 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.905 12.767 -8.931 1.00 0.00 H new ATOM 1087 N SER A 72 -17.468 10.385 -10.475 1.00 0.00 N ATOM 1088 CA SER A 72 -16.197 9.736 -10.772 1.00 0.00 C ATOM 1089 C SER A 72 -15.595 10.289 -12.060 1.00 0.00 C ATOM 1090 O SER A 72 -16.243 10.300 -13.106 1.00 0.00 O ATOM 1091 CB SER A 72 -16.388 8.224 -10.893 1.00 0.00 C ATOM 1092 OG SER A 72 -16.489 7.619 -9.615 1.00 0.00 O ATOM 0 H SER A 72 -18.279 9.768 -10.530 1.00 0.00 H new ATOM 0 HA SER A 72 -15.510 9.943 -9.951 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.288 8.013 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.550 7.791 -11.439 1.00 0.00 H new ATOM 0 HG SER A 72 -15.591 7.457 -9.258 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.349 10.743 -11.974 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.653 11.296 -13.130 1.00 0.00 C ATOM 1100 C ARG A 73 -13.408 10.218 -14.181 1.00 0.00 C ATOM 1101 O ARG A 73 -13.522 10.469 -15.382 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.324 11.920 -12.703 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.477 13.268 -12.015 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.600 14.397 -13.025 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.452 14.454 -13.924 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.405 15.252 -13.735 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -10.362 16.057 -12.682 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -9.400 15.246 -14.599 1.00 0.00 N ATOM 0 H ARG A 73 -13.800 10.739 -11.114 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.284 12.070 -13.567 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.810 11.234 -12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.690 12.040 -13.581 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.359 13.253 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.618 13.448 -11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.511 14.264 -13.608 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.695 15.346 -12.498 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.453 13.847 -14.744 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.133 16.065 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.558 16.668 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.429 14.629 -15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.598 15.859 -14.452 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.064 9.020 -13.717 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.795 7.892 -14.607 1.00 0.00 C ATOM 1124 C ASN A 74 -11.584 8.197 -15.475 1.00 0.00 C ATOM 1125 O ASN A 74 -11.449 7.687 -16.587 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.013 7.589 -15.483 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.043 6.149 -15.955 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.710 5.231 -15.205 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.444 5.943 -17.204 1.00 0.00 N ATOM 0 H ASN A 74 -12.964 8.804 -12.725 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.586 7.011 -13.999 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.923 7.803 -14.922 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.008 8.252 -16.348 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.485 4.994 -17.577 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.711 6.733 -17.791 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.698 9.023 -14.934 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.475 9.407 -15.599 1.00 0.00 C ATOM 1138 C LEU A 75 -8.695 8.192 -16.019 1.00 0.00 C ATOM 1139 O LEU A 75 -8.256 8.046 -17.160 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.646 10.182 -14.599 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.836 11.696 -14.636 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.046 12.371 -13.526 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.439 12.256 -15.995 1.00 0.00 C ATOM 0 H LEU A 75 -10.816 9.445 -14.013 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.706 9.998 -16.485 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.886 9.826 -13.597 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.593 9.959 -14.773 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.893 11.907 -14.474 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.199 13.449 -13.575 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.386 12.000 -12.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.986 12.149 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.582 13.337 -15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.391 12.028 -16.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.059 11.805 -16.770 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.545 7.338 -15.047 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.838 6.100 -15.186 1.00 0.00 C ATOM 1157 C CYS A 76 -8.668 5.111 -15.992 1.00 0.00 C ATOM 1158 O CYS A 76 -8.133 4.237 -16.672 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.590 5.587 -13.789 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.932 4.901 -13.497 1.00 0.00 S ATOM 0 H CYS A 76 -8.922 7.489 -14.111 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.896 6.235 -15.718 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.757 6.402 -13.085 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.328 4.817 -13.566 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.987 5.269 -15.898 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.919 4.399 -16.605 1.00 0.00 C ATOM 1167 C ASN A 77 -10.560 2.946 -16.342 1.00 0.00 C ATOM 1168 O ASN A 77 -10.315 2.173 -17.269 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.890 4.690 -18.108 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.109 4.144 -18.827 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.992 3.548 -18.212 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.161 4.347 -20.138 1.00 0.00 N ATOM 0 H ASN A 77 -10.433 5.994 -15.337 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.928 4.590 -16.240 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.831 5.767 -18.266 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.990 4.254 -18.542 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.956 4.003 -20.676 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.406 4.847 -20.607 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.512 2.589 -15.065 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.161 1.237 -14.672 1.00 0.00 C ATOM 1181 C ILE A 78 -11.259 0.585 -13.839 1.00 0.00 C ATOM 1182 O ILE A 78 -12.036 1.272 -13.176 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.835 1.214 -13.881 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.097 1.117 -12.368 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.022 2.448 -14.218 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.162 1.952 -11.518 1.00 0.00 C ATOM 0 H ILE A 78 -10.712 3.218 -14.287 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.040 0.665 -15.592 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.266 0.330 -14.168 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.123 1.425 -12.168 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.013 0.074 -12.063 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.086 2.431 -13.659 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.807 2.461 -15.286 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.588 3.341 -13.951 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.416 1.825 -10.466 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.134 1.630 -11.684 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.262 3.002 -11.792 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.325 -0.757 -13.837 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.314 -1.486 -13.049 1.00 0.00 C ATOM 1200 C PRO A 79 -11.916 -1.499 -11.579 1.00 0.00 C ATOM 1201 O PRO A 79 -10.874 -2.045 -11.216 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.269 -2.891 -13.643 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.873 -3.041 -14.146 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.427 -1.667 -14.577 1.00 0.00 C ATOM 0 HA PRO A 79 -13.310 -1.044 -13.086 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.504 -3.646 -12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.995 -3.005 -14.448 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.220 -3.435 -13.368 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.834 -3.742 -14.980 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.381 -1.489 -14.326 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.523 -1.535 -15.655 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.730 -0.873 -10.739 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.438 -0.791 -9.313 1.00 0.00 C ATOM 1214 C CYS A 80 -12.405 -2.168 -8.652 1.00 0.00 C ATOM 1215 O CYS A 80 -11.372 -2.584 -8.128 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.463 0.111 -8.622 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.777 1.677 -9.505 1.00 0.00 S ATOM 0 H CYS A 80 -13.597 -0.415 -11.020 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.443 -0.359 -9.203 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.402 -0.433 -8.520 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.114 0.336 -7.614 1.00 0.00 H new ATOM 1222 N SER A 81 -13.535 -2.866 -8.666 1.00 0.00 N ATOM 1223 CA SER A 81 -13.626 -4.190 -8.051 1.00 0.00 C ATOM 1224 C SER A 81 -12.641 -5.177 -8.678 1.00 0.00 C ATOM 1225 O SER A 81 -12.259 -6.161 -8.045 1.00 0.00 O ATOM 1226 CB SER A 81 -15.052 -4.732 -8.171 1.00 0.00 C ATOM 1227 OG SER A 81 -15.343 -5.108 -9.506 1.00 0.00 O ATOM 0 H SER A 81 -14.401 -2.540 -9.095 1.00 0.00 H new ATOM 0 HA SER A 81 -13.365 -4.080 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.174 -5.592 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.762 -3.974 -7.840 1.00 0.00 H new ATOM 0 HG SER A 81 -16.259 -5.453 -9.557 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.230 -4.913 -9.914 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.287 -5.791 -10.602 1.00 0.00 C ATOM 1235 C ALA A 82 -9.849 -5.405 -10.275 1.00 0.00 C ATOM 1236 O ALA A 82 -8.921 -6.188 -10.480 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.521 -5.754 -12.103 1.00 0.00 C ATOM 0 H ALA A 82 -12.532 -4.104 -10.458 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.454 -6.810 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.809 -6.414 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.536 -6.086 -12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.386 -4.736 -12.467 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.677 -4.195 -9.755 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.356 -3.703 -9.384 1.00 0.00 C ATOM 1245 C LEU A 83 -8.046 -4.069 -7.937 1.00 0.00 C ATOM 1246 O LEU A 83 -6.939 -3.848 -7.447 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.269 -2.183 -9.591 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.512 -1.323 -8.348 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.199 -1.013 -7.646 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.223 -0.033 -8.726 1.00 0.00 C ATOM 0 H LEU A 83 -10.436 -3.537 -9.581 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.614 -4.176 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.281 -1.946 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.994 -1.898 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.147 -1.884 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.393 -0.401 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.720 -1.944 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.542 -0.472 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.388 0.567 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.609 0.528 -9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.182 -0.268 -9.188 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.038 -4.636 -7.266 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.892 -5.039 -5.875 1.00 0.00 C ATOM 1264 C LEU A 84 -8.640 -6.536 -5.767 1.00 0.00 C ATOM 1265 O LEU A 84 -8.503 -7.078 -4.671 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.141 -4.640 -5.096 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.561 -3.182 -5.283 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.610 -2.789 -4.259 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.351 -2.258 -5.193 1.00 0.00 C ATOM 0 H LEU A 84 -9.957 -4.828 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.029 -4.529 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.966 -5.285 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.967 -4.823 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.998 -3.079 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.894 -1.748 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.488 -3.425 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.203 -2.911 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.671 -1.225 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.882 -2.367 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.634 -2.521 -5.971 1.00 0.00 H new ATOM 1281 N SER A 85 -8.568 -7.194 -6.918 1.00 0.00 N ATOM 1282 CA SER A 85 -8.315 -8.628 -6.969 1.00 0.00 C ATOM 1283 C SER A 85 -6.913 -8.945 -6.471 1.00 0.00 C ATOM 1284 O SER A 85 -6.206 -8.073 -5.967 1.00 0.00 O ATOM 1285 CB SER A 85 -8.488 -9.144 -8.399 1.00 0.00 C ATOM 1286 OG SER A 85 -9.688 -8.657 -8.976 1.00 0.00 O ATOM 0 H SER A 85 -8.682 -6.755 -7.832 1.00 0.00 H new ATOM 0 HA SER A 85 -9.035 -9.126 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.637 -8.834 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.498 -10.234 -8.397 1.00 0.00 H new ATOM 0 HG SER A 85 -9.487 -7.888 -9.549 1.00 0.00 H new ATOM 1292 N SER A 86 -6.520 -10.199 -6.625 1.00 0.00 N ATOM 1293 CA SER A 86 -5.197 -10.647 -6.201 1.00 0.00 C ATOM 1294 C SER A 86 -4.157 -10.293 -7.257 1.00 0.00 C ATOM 1295 O SER A 86 -3.152 -10.986 -7.418 1.00 0.00 O ATOM 1296 CB SER A 86 -5.201 -12.157 -5.954 1.00 0.00 C ATOM 1297 OG SER A 86 -6.039 -12.825 -6.881 1.00 0.00 O ATOM 0 H SER A 86 -7.098 -10.929 -7.041 1.00 0.00 H new ATOM 0 HA SER A 86 -4.941 -10.140 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.185 -12.544 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.541 -12.361 -4.939 1.00 0.00 H new ATOM 0 HG SER A 86 -6.022 -13.788 -6.702 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.419 -9.211 -7.981 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.528 -8.753 -9.035 1.00 0.00 C ATOM 1305 C ASP A 87 -3.268 -7.253 -8.912 1.00 0.00 C ATOM 1306 O ASP A 87 -4.201 -6.451 -8.933 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.143 -9.076 -10.395 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.288 -8.600 -11.552 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.051 -8.530 -11.387 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.854 -8.299 -12.623 1.00 0.00 O ATOM 0 H ASP A 87 -5.249 -8.632 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.572 -9.268 -8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.290 -10.153 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.128 -8.614 -10.463 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.997 -6.883 -8.777 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.620 -5.478 -8.644 1.00 0.00 C ATOM 1317 C ILE A 88 -1.565 -4.778 -9.994 1.00 0.00 C ATOM 1318 O ILE A 88 -1.348 -3.572 -10.058 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.250 -5.309 -7.955 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.648 -6.518 -8.229 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.426 -5.091 -6.461 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.117 -6.170 -8.323 1.00 0.00 C ATOM 0 H ILE A 88 -1.212 -7.534 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.394 -5.022 -8.026 1.00 0.00 H new ATOM 0 HB ILE A 88 0.237 -4.427 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.507 -7.252 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.334 -6.990 -9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.551 -4.974 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.019 -4.192 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.936 -5.950 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.693 -7.074 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.271 -5.459 -9.135 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.446 -5.726 -7.384 1.00 0.00 H new ATOM 1334 N THR A 89 -1.748 -5.532 -11.071 1.00 0.00 N ATOM 1335 CA THR A 89 -1.704 -4.960 -12.410 1.00 0.00 C ATOM 1336 C THR A 89 -2.614 -3.743 -12.525 1.00 0.00 C ATOM 1337 O THR A 89 -2.199 -2.696 -13.019 1.00 0.00 O ATOM 1338 CB THR A 89 -2.107 -5.992 -13.481 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.223 -7.118 -13.435 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.073 -5.374 -14.871 1.00 0.00 C ATOM 0 H THR A 89 -1.927 -6.536 -11.044 1.00 0.00 H new ATOM 0 HA THR A 89 -0.672 -4.654 -12.583 1.00 0.00 H new ATOM 0 HB THR A 89 -3.125 -6.319 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.273 -7.537 -12.551 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.361 -6.122 -15.609 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.768 -4.536 -14.914 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.065 -5.021 -15.087 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.861 -3.890 -12.090 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.829 -2.815 -12.166 1.00 0.00 C ATOM 1350 C ALA A 90 -4.489 -1.648 -11.234 1.00 0.00 C ATOM 1351 O ALA A 90 -4.453 -0.495 -11.666 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.219 -3.346 -11.869 1.00 0.00 C ATOM 0 H ALA A 90 -4.221 -4.751 -11.679 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.798 -2.423 -13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.940 -2.531 -11.928 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.479 -4.114 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.238 -3.775 -10.867 1.00 0.00 H new ATOM 1358 N SER A 91 -4.236 -1.945 -9.959 1.00 0.00 N ATOM 1359 CA SER A 91 -3.898 -0.907 -8.985 1.00 0.00 C ATOM 1360 C SER A 91 -2.611 -0.192 -9.368 1.00 0.00 C ATOM 1361 O SER A 91 -2.452 1.004 -9.116 1.00 0.00 O ATOM 1362 CB SER A 91 -3.756 -1.512 -7.587 1.00 0.00 C ATOM 1363 OG SER A 91 -4.474 -2.730 -7.480 1.00 0.00 O ATOM 0 H SER A 91 -4.258 -2.891 -9.578 1.00 0.00 H new ATOM 0 HA SER A 91 -4.709 -0.179 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.703 -1.688 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.122 -0.805 -6.843 1.00 0.00 H new ATOM 0 HG SER A 91 -3.887 -3.478 -7.719 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.696 -0.925 -9.981 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.435 -0.337 -10.390 1.00 0.00 C ATOM 1371 C VAL A 92 -0.598 0.455 -11.666 1.00 0.00 C ATOM 1372 O VAL A 92 -0.082 1.555 -11.770 1.00 0.00 O ATOM 1373 CB VAL A 92 0.693 -1.367 -10.584 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.885 -0.714 -11.285 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.110 -1.962 -9.247 1.00 0.00 C ATOM 0 H VAL A 92 -1.802 -1.915 -10.203 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.143 0.318 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 92 0.324 -2.178 -11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.677 -1.451 -11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.573 -0.338 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.256 0.112 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.908 -2.688 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.466 -1.168 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.255 -2.457 -8.787 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.306 -0.100 -12.639 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.512 0.583 -13.887 1.00 0.00 C ATOM 1387 C ASN A 93 -2.033 1.987 -13.639 1.00 0.00 C ATOM 1388 O ASN A 93 -1.614 2.950 -14.285 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.466 -0.209 -14.760 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.669 0.594 -15.215 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.592 1.360 -16.176 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.791 0.423 -14.525 1.00 0.00 N ATOM 0 H ASN A 93 -1.743 -1.020 -12.579 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.560 0.666 -14.411 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.929 -0.573 -15.636 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.809 -1.085 -14.209 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.633 0.937 -14.785 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.811 -0.222 -13.735 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.940 2.094 -12.678 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.509 3.377 -12.324 1.00 0.00 C ATOM 1401 C CYS A 94 -2.441 4.280 -11.731 1.00 0.00 C ATOM 1402 O CYS A 94 -2.295 5.431 -12.144 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.663 3.207 -11.341 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.941 4.489 -11.508 1.00 0.00 S ATOM 0 H CYS A 94 -3.294 1.307 -12.134 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.899 3.840 -13.231 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.118 2.228 -11.491 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.271 3.224 -10.324 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.685 3.759 -10.763 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.633 4.555 -10.146 1.00 0.00 C ATOM 1411 C ALA A 95 0.462 4.827 -11.158 1.00 0.00 C ATOM 1412 O ALA A 95 1.109 5.867 -11.120 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.071 3.886 -8.917 1.00 0.00 C ATOM 0 H ALA A 95 -1.780 2.811 -10.399 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.068 5.501 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.711 4.512 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.866 3.744 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.349 2.918 -9.190 1.00 0.00 H new ATOM 1419 N LYS A 96 0.647 3.888 -12.080 1.00 0.00 N ATOM 1420 CA LYS A 96 1.638 4.039 -13.126 1.00 0.00 C ATOM 1421 C LYS A 96 1.373 5.372 -13.811 1.00 0.00 C ATOM 1422 O LYS A 96 2.283 6.142 -14.130 1.00 0.00 O ATOM 1423 CB LYS A 96 1.528 2.896 -14.138 1.00 0.00 C ATOM 1424 CG LYS A 96 2.353 1.674 -13.770 1.00 0.00 C ATOM 1425 CD LYS A 96 2.022 0.489 -14.663 1.00 0.00 C ATOM 1426 CE LYS A 96 3.008 0.364 -15.813 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.401 -0.311 -16.994 1.00 0.00 N ATOM 0 H LYS A 96 0.120 3.015 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 96 2.643 4.012 -12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.482 2.603 -14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.845 3.257 -15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.414 1.910 -13.856 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.169 1.409 -12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.033 -0.427 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.013 0.601 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.357 1.356 -16.101 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.882 -0.198 -15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.105 -0.377 -17.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.091 -1.267 -16.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.583 0.239 -17.325 1.00 0.00 H new ATOM 1441 N LYS A 97 0.080 5.634 -13.972 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.400 6.873 -14.562 1.00 0.00 C ATOM 1443 C LYS A 97 -0.337 7.989 -13.526 1.00 0.00 C ATOM 1444 O LYS A 97 -0.127 9.155 -13.862 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.832 6.706 -15.074 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.229 7.741 -16.113 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.260 7.146 -17.511 1.00 0.00 C ATOM 1448 CE LYS A 97 -0.952 7.385 -18.248 1.00 0.00 C ATOM 1449 NZ LYS A 97 -1.133 8.274 -19.428 1.00 0.00 N ATOM 0 H LYS A 97 -0.663 4.992 -13.696 1.00 0.00 H new ATOM 0 HA LYS A 97 0.236 7.131 -15.408 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.942 5.710 -15.504 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.520 6.767 -14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.211 8.146 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.525 8.573 -16.086 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.452 6.075 -17.447 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.082 7.585 -18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.227 7.830 -17.566 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.539 6.430 -18.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.218 8.412 -19.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.805 7.838 -20.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.503 9.194 -19.116 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.504 7.614 -12.257 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.450 8.574 -11.165 1.00 0.00 C ATOM 1465 C ILE A 98 0.928 9.227 -11.106 1.00 0.00 C ATOM 1466 O ILE A 98 1.055 10.451 -11.059 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.776 7.918 -9.808 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.267 7.561 -9.744 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.398 8.847 -8.662 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.657 6.802 -8.493 1.00 0.00 C ATOM 0 H ILE A 98 -0.677 6.652 -11.965 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.207 9.334 -11.359 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.192 7.003 -9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.854 8.478 -9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.526 6.963 -10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.635 8.368 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.670 9.061 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.958 9.778 -8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.725 6.584 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.097 5.868 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.430 7.407 -7.615 1.00 0.00 H new ATOM 1482 N VAL A 99 1.952 8.384 -11.110 1.00 0.00 N ATOM 1483 CA VAL A 99 3.335 8.835 -11.058 1.00 0.00 C ATOM 1484 C VAL A 99 3.783 9.407 -12.400 1.00 0.00 C ATOM 1485 O VAL A 99 4.739 10.181 -12.463 1.00 0.00 O ATOM 1486 CB VAL A 99 4.279 7.686 -10.659 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.396 6.672 -11.787 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.646 8.226 -10.271 1.00 0.00 C ATOM 0 H VAL A 99 1.847 7.370 -11.149 1.00 0.00 H new ATOM 0 HA VAL A 99 3.385 9.619 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 99 3.856 7.180 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.067 5.868 -11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.412 6.259 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.793 7.161 -12.677 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.298 7.398 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.079 8.761 -11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.542 8.906 -9.426 1.00 0.00 H new ATOM 1498 N SER A 100 3.083 9.036 -13.472 1.00 0.00 N ATOM 1499 CA SER A 100 3.416 9.532 -14.804 1.00 0.00 C ATOM 1500 C SER A 100 2.730 10.869 -15.068 1.00 0.00 C ATOM 1501 O SER A 100 3.038 11.557 -16.042 1.00 0.00 O ATOM 1502 CB SER A 100 3.004 8.515 -15.870 1.00 0.00 C ATOM 1503 OG SER A 100 3.417 8.934 -17.161 1.00 0.00 O ATOM 0 H SER A 100 2.288 8.398 -13.443 1.00 0.00 H new ATOM 0 HA SER A 100 4.495 9.678 -14.853 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.444 7.545 -15.641 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.922 8.386 -15.855 1.00 0.00 H new ATOM 0 HG SER A 100 3.545 9.906 -17.164 1.00 0.00 H new ATOM 1509 N ASP A 101 1.799 11.229 -14.190 1.00 0.00 N ATOM 1510 CA ASP A 101 1.064 12.483 -14.323 1.00 0.00 C ATOM 1511 C ASP A 101 0.593 12.989 -12.963 1.00 0.00 C ATOM 1512 O ASP A 101 -0.563 12.796 -12.585 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.133 12.300 -15.256 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.190 13.361 -16.338 1.00 0.00 C ATOM 1515 OD1 ASP A 101 0.714 13.378 -17.200 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.139 14.172 -16.325 1.00 0.00 O ATOM 0 H ASP A 101 1.535 10.670 -13.378 1.00 0.00 H new ATOM 0 HA ASP A 101 1.739 13.225 -14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.082 11.315 -15.719 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.053 12.330 -14.672 1.00 0.00 H new ATOM 1521 N GLY A 102 1.495 13.636 -12.230 1.00 0.00 N ATOM 1522 CA GLY A 102 1.154 14.159 -10.920 1.00 0.00 C ATOM 1523 C GLY A 102 2.336 14.144 -9.972 1.00 0.00 C ATOM 1524 O GLY A 102 3.306 14.878 -10.167 1.00 0.00 O ATOM 0 H GLY A 102 2.457 13.807 -12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.786 15.180 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.342 13.569 -10.495 1.00 0.00 H new ATOM 1528 N ASN A 103 2.261 13.301 -8.948 1.00 0.00 N ATOM 1529 CA ASN A 103 3.335 13.184 -7.969 1.00 0.00 C ATOM 1530 C ASN A 103 3.765 11.729 -7.825 1.00 0.00 C ATOM 1531 O ASN A 103 2.948 10.817 -7.964 1.00 0.00 O ATOM 1532 CB ASN A 103 2.887 13.737 -6.615 1.00 0.00 C ATOM 1533 CG ASN A 103 2.778 15.249 -6.616 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.752 15.808 -7.003 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.837 15.919 -6.181 1.00 0.00 N ATOM 0 H ASN A 103 1.465 12.687 -8.774 1.00 0.00 H new ATOM 0 HA ASN A 103 4.186 13.768 -8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.921 13.306 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.595 13.427 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.821 16.939 -6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.667 15.415 -5.869 1.00 0.00 H new ATOM 1542 N GLY A 104 5.048 11.511 -7.554 1.00 0.00 N ATOM 1543 CA GLY A 104 5.555 10.160 -7.409 1.00 0.00 C ATOM 1544 C GLY A 104 5.133 9.509 -6.108 1.00 0.00 C ATOM 1545 O GLY A 104 3.947 9.457 -5.790 1.00 0.00 O ATOM 0 H GLY A 104 5.745 12.246 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.203 9.554 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.643 10.178 -7.464 1.00 0.00 H new ATOM 1549 N MET A 105 6.111 9.024 -5.346 1.00 0.00 N ATOM 1550 CA MET A 105 5.844 8.382 -4.066 1.00 0.00 C ATOM 1551 C MET A 105 5.473 9.433 -3.045 1.00 0.00 C ATOM 1552 O MET A 105 5.008 9.127 -1.947 1.00 0.00 O ATOM 1553 CB MET A 105 7.072 7.606 -3.584 1.00 0.00 C ATOM 1554 CG MET A 105 7.938 7.068 -4.709 1.00 0.00 C ATOM 1555 SD MET A 105 7.012 6.050 -5.874 1.00 0.00 S ATOM 1556 CE MET A 105 6.078 5.023 -4.744 1.00 0.00 C ATOM 0 H MET A 105 7.099 9.065 -5.597 1.00 0.00 H new ATOM 0 HA MET A 105 5.019 7.681 -4.191 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.676 8.257 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.743 6.774 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.392 7.902 -5.243 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.752 6.480 -4.286 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.875 4.059 -5.211 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.654 4.870 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.136 5.514 -4.500 1.00 0.00 H new ATOM 1566 N ASN A 106 5.686 10.681 -3.430 1.00 0.00 N ATOM 1567 CA ASN A 106 5.387 11.811 -2.582 1.00 0.00 C ATOM 1568 C ASN A 106 3.884 12.053 -2.511 1.00 0.00 C ATOM 1569 O ASN A 106 3.374 12.560 -1.511 1.00 0.00 O ATOM 1570 CB ASN A 106 6.100 13.044 -3.128 1.00 0.00 C ATOM 1571 CG ASN A 106 7.479 13.232 -2.527 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.662 14.021 -1.599 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.460 12.508 -3.054 1.00 0.00 N ATOM 0 H ASN A 106 6.071 10.933 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 106 5.738 11.603 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.188 12.959 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.496 13.928 -2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.409 12.594 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.264 11.866 -3.822 1.00 0.00 H new ATOM 1580 N ALA A 107 3.177 11.685 -3.579 1.00 0.00 N ATOM 1581 CA ALA A 107 1.731 11.860 -3.635 1.00 0.00 C ATOM 1582 C ALA A 107 1.059 11.190 -2.445 1.00 0.00 C ATOM 1583 O ALA A 107 0.196 11.775 -1.791 1.00 0.00 O ATOM 1584 CB ALA A 107 1.183 11.295 -4.936 1.00 0.00 C ATOM 0 H ALA A 107 3.584 11.265 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 107 1.513 12.927 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.102 11.432 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.638 11.815 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.416 10.232 -4.998 1.00 0.00 H new ATOM 1590 N TRP A 108 1.464 9.956 -2.174 1.00 0.00 N ATOM 1591 CA TRP A 108 0.911 9.195 -1.067 1.00 0.00 C ATOM 1592 C TRP A 108 1.552 9.626 0.250 1.00 0.00 C ATOM 1593 O TRP A 108 2.756 9.871 0.322 1.00 0.00 O ATOM 1594 CB TRP A 108 1.092 7.699 -1.327 1.00 0.00 C ATOM 1595 CG TRP A 108 0.448 7.266 -2.614 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.873 6.986 -2.813 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.092 7.083 -3.882 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.090 6.640 -4.127 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.100 6.687 -4.803 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.408 7.211 -4.327 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.388 6.422 -6.144 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.693 6.948 -5.653 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.689 6.558 -6.548 1.00 0.00 C ATOM 0 H TRP A 108 2.177 9.461 -2.710 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.157 9.395 -0.986 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.156 7.463 -1.357 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.663 7.133 -0.500 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.637 7.030 -2.050 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.992 6.389 -4.532 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.191 7.511 -3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.386 6.122 -6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.709 7.045 -6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.946 6.360 -7.578 1.00 0.00 H new ATOM 1614 N VAL A 109 0.718 9.760 1.274 1.00 0.00 N ATOM 1615 CA VAL A 109 1.158 10.214 2.593 1.00 0.00 C ATOM 1616 C VAL A 109 1.855 9.141 3.416 1.00 0.00 C ATOM 1617 O VAL A 109 2.570 9.459 4.365 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.017 10.727 3.411 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.425 11.836 4.353 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.155 11.193 2.515 1.00 0.00 C ATOM 0 H VAL A 109 -0.280 9.558 1.217 1.00 0.00 H new ATOM 0 HA VAL A 109 1.877 11.007 2.386 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.391 9.899 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.432 12.188 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.186 11.454 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.837 12.662 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.979 11.553 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.804 11.999 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.498 10.361 1.901 1.00 0.00 H new ATOM 1630 N ALA A 110 1.663 7.882 3.066 1.00 0.00 N ATOM 1631 CA ALA A 110 2.301 6.799 3.805 1.00 0.00 C ATOM 1632 C ALA A 110 3.788 6.752 3.506 1.00 0.00 C ATOM 1633 O ALA A 110 4.593 6.387 4.363 1.00 0.00 O ATOM 1634 CB ALA A 110 1.646 5.467 3.480 1.00 0.00 C ATOM 0 H ALA A 110 1.079 7.583 2.285 1.00 0.00 H new ATOM 0 HA ALA A 110 2.172 6.990 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.138 4.673 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.591 5.504 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.739 5.267 2.413 1.00 0.00 H new ATOM 1640 N TRP A 111 4.150 7.153 2.296 1.00 0.00 N ATOM 1641 CA TRP A 111 5.547 7.183 1.907 1.00 0.00 C ATOM 1642 C TRP A 111 6.195 8.442 2.465 1.00 0.00 C ATOM 1643 O TRP A 111 7.361 8.433 2.856 1.00 0.00 O ATOM 1644 CB TRP A 111 5.697 7.118 0.385 1.00 0.00 C ATOM 1645 CG TRP A 111 7.123 7.140 -0.077 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.911 6.060 -0.355 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.932 8.298 -0.315 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.160 6.475 -0.749 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.197 7.845 -0.733 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.711 9.675 -0.215 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.235 8.719 -1.050 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.740 10.541 -0.530 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.989 10.059 -0.944 1.00 0.00 C ATOM 0 H TRP A 111 3.499 7.460 1.573 1.00 0.00 H new ATOM 0 HA TRP A 111 6.050 6.308 2.319 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.219 6.209 0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.166 7.959 -0.061 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.598 5.029 -0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.933 5.864 -1.011 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.752 10.055 0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.199 8.351 -1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.579 11.606 -0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.774 10.761 -1.184 1.00 0.00 H new ATOM 1664 N ARG A 112 5.422 9.526 2.523 1.00 0.00 N ATOM 1665 CA ARG A 112 5.912 10.785 3.063 1.00 0.00 C ATOM 1666 C ARG A 112 5.597 10.885 4.552 1.00 0.00 C ATOM 1667 O ARG A 112 5.096 11.907 5.024 1.00 0.00 O ATOM 1668 CB ARG A 112 5.271 11.953 2.334 1.00 0.00 C ATOM 1669 CG ARG A 112 6.100 12.484 1.176 1.00 0.00 C ATOM 1670 CD ARG A 112 5.953 13.990 1.031 1.00 0.00 C ATOM 1671 NE ARG A 112 6.974 14.714 1.783 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.845 15.979 2.174 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.744 16.657 1.883 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.820 16.566 2.855 1.00 0.00 N ATOM 0 H ARG A 112 4.454 9.553 2.202 1.00 0.00 H new ATOM 0 HA ARG A 112 6.992 10.819 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.296 11.643 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.097 12.761 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.149 12.233 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.790 11.996 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.019 14.261 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.965 14.293 1.377 1.00 0.00 H new ATOM 0 HE ARG A 112 7.835 14.222 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.993 16.209 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.648 17.627 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.669 16.048 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.721 17.536 3.155 1.00 0.00 H new ATOM 1688 N ASN A 113 5.899 9.827 5.281 1.00 0.00 N ATOM 1689 CA ASN A 113 5.656 9.797 6.718 1.00 0.00 C ATOM 1690 C ASN A 113 6.570 8.791 7.404 1.00 0.00 C ATOM 1691 O ASN A 113 7.313 9.135 8.324 1.00 0.00 O ATOM 1692 CB ASN A 113 4.193 9.452 7.002 1.00 0.00 C ATOM 1693 CG ASN A 113 3.848 9.565 8.474 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.499 8.577 9.120 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.944 10.775 9.013 1.00 0.00 N ATOM 0 H ASN A 113 6.314 8.974 4.905 1.00 0.00 H new ATOM 0 HA ASN A 113 5.873 10.788 7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.548 10.117 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.989 8.437 6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.724 10.913 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.237 11.567 8.440 1.00 0.00 H new ATOM 1702 N ARG A 114 6.497 7.543 6.959 1.00 0.00 N ATOM 1703 CA ARG A 114 7.305 6.478 7.537 1.00 0.00 C ATOM 1704 C ARG A 114 8.324 5.930 6.542 1.00 0.00 C ATOM 1705 O ARG A 114 9.039 4.973 6.841 1.00 0.00 O ATOM 1706 CB ARG A 114 6.400 5.348 8.018 1.00 0.00 C ATOM 1707 CG ARG A 114 5.956 5.495 9.465 1.00 0.00 C ATOM 1708 CD ARG A 114 6.930 4.819 10.417 1.00 0.00 C ATOM 1709 NE ARG A 114 6.488 4.908 11.806 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.401 3.862 12.622 1.00 0.00 C ATOM 1711 NH1 ARG A 114 6.726 2.651 12.190 1.00 0.00 N ATOM 1712 NH2 ARG A 114 5.992 4.026 13.873 1.00 0.00 N ATOM 0 H ARG A 114 5.886 7.244 6.199 1.00 0.00 H new ATOM 0 HA ARG A 114 7.855 6.900 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.518 5.304 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.925 4.400 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.874 6.553 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.964 5.061 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.041 3.771 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.912 5.281 10.319 1.00 0.00 H new ATOM 0 HE ARG A 114 6.231 5.825 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.044 2.520 11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.658 1.850 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.744 4.956 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.926 3.222 14.497 1.00 0.00 H new ATOM 1726 N CYS A 115 8.385 6.527 5.357 1.00 0.00 N ATOM 1727 CA CYS A 115 9.318 6.075 4.331 1.00 0.00 C ATOM 1728 C CYS A 115 10.391 7.118 4.044 1.00 0.00 C ATOM 1729 O CYS A 115 11.580 6.802 4.019 1.00 0.00 O ATOM 1730 CB CYS A 115 8.564 5.734 3.046 1.00 0.00 C ATOM 1731 SG CYS A 115 7.600 4.194 3.145 1.00 0.00 S ATOM 0 H CYS A 115 7.804 7.320 5.084 1.00 0.00 H new ATOM 0 HA CYS A 115 9.815 5.181 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.892 6.557 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.279 5.652 2.227 1.00 0.00 H new ATOM 1736 N LYS A 116 9.969 8.358 3.823 1.00 0.00 N ATOM 1737 CA LYS A 116 10.901 9.441 3.530 1.00 0.00 C ATOM 1738 C LYS A 116 11.882 9.647 4.680 1.00 0.00 C ATOM 1739 O LYS A 116 11.609 10.400 5.614 1.00 0.00 O ATOM 1740 CB LYS A 116 10.138 10.739 3.257 1.00 0.00 C ATOM 1741 CG LYS A 116 10.943 11.764 2.476 1.00 0.00 C ATOM 1742 CD LYS A 116 10.583 13.183 2.886 1.00 0.00 C ATOM 1743 CE LYS A 116 11.817 14.069 2.969 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.510 15.483 2.623 1.00 0.00 N ATOM 0 H LYS A 116 8.988 8.638 3.841 1.00 0.00 H new ATOM 0 HA LYS A 116 11.468 9.165 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.228 10.506 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.831 11.177 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.007 11.595 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.761 11.635 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.880 13.603 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.079 13.167 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.229 14.023 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.583 13.688 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.377 16.053 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.140 15.530 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.798 15.855 3.283 1.00 0.00 H new ATOM 1758 N GLY A 117 13.027 8.976 4.602 1.00 0.00 N ATOM 1759 CA GLY A 117 14.032 9.105 5.640 1.00 0.00 C ATOM 1760 C GLY A 117 14.538 7.767 6.143 1.00 0.00 C ATOM 1761 O GLY A 117 15.296 7.712 7.110 1.00 0.00 O ATOM 0 H GLY A 117 13.276 8.346 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.872 9.684 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.614 9.667 6.475 1.00 0.00 H new ATOM 1765 N THR A 118 14.124 6.683 5.490 1.00 0.00 N ATOM 1766 CA THR A 118 14.549 5.345 5.886 1.00 0.00 C ATOM 1767 C THR A 118 15.359 4.679 4.775 1.00 0.00 C ATOM 1768 O THR A 118 16.035 5.356 4.000 1.00 0.00 O ATOM 1769 CB THR A 118 13.340 4.457 6.238 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.478 4.328 5.100 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.559 5.042 7.405 1.00 0.00 C ATOM 0 H THR A 118 13.496 6.706 4.686 1.00 0.00 H new ATOM 0 HA THR A 118 15.176 5.454 6.771 1.00 0.00 H new ATOM 0 HB THR A 118 13.713 3.474 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.174 5.216 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.711 4.397 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.208 5.113 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.198 6.036 7.140 1.00 0.00 H new ATOM 1779 N ASP A 119 15.292 3.350 4.702 1.00 0.00 N ATOM 1780 CA ASP A 119 16.026 2.607 3.684 1.00 0.00 C ATOM 1781 C ASP A 119 15.129 1.619 2.950 1.00 0.00 C ATOM 1782 O ASP A 119 14.893 0.505 3.420 1.00 0.00 O ATOM 1783 CB ASP A 119 17.194 1.881 4.302 1.00 0.00 C ATOM 1784 CG ASP A 119 18.357 1.722 3.342 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.195 1.011 2.328 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.428 2.308 3.604 1.00 0.00 O ATOM 0 H ASP A 119 14.739 2.770 5.333 1.00 0.00 H new ATOM 0 HA ASP A 119 16.395 3.329 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.529 2.425 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.868 0.897 4.638 1.00 0.00 H new ATOM 1791 N VAL A 120 14.638 2.038 1.791 1.00 0.00 N ATOM 1792 CA VAL A 120 13.770 1.206 0.971 1.00 0.00 C ATOM 1793 C VAL A 120 14.558 0.073 0.331 1.00 0.00 C ATOM 1794 O VAL A 120 14.054 -1.040 0.180 1.00 0.00 O ATOM 1795 CB VAL A 120 13.082 2.031 -0.133 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.094 3.015 0.472 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.114 2.757 -0.983 1.00 0.00 C ATOM 0 H VAL A 120 14.829 2.959 1.395 1.00 0.00 H new ATOM 0 HA VAL A 120 13.006 0.791 1.628 1.00 0.00 H new ATOM 0 HB VAL A 120 12.531 1.347 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.618 3.588 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.333 2.470 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.621 3.693 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.607 3.334 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.697 3.429 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.778 2.029 -1.449 1.00 0.00 H new ATOM 1807 N GLN A 121 15.807 0.359 -0.028 1.00 0.00 N ATOM 1808 CA GLN A 121 16.670 -0.645 -0.632 1.00 0.00 C ATOM 1809 C GLN A 121 16.830 -1.818 0.324 1.00 0.00 C ATOM 1810 O GLN A 121 17.137 -2.938 -0.085 1.00 0.00 O ATOM 1811 CB GLN A 121 18.037 -0.047 -0.969 1.00 0.00 C ATOM 1812 CG GLN A 121 18.430 -0.211 -2.428 1.00 0.00 C ATOM 1813 CD GLN A 121 18.038 0.983 -3.275 1.00 0.00 C ATOM 1814 OE1 GLN A 121 16.894 1.435 -3.239 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.990 1.502 -4.043 1.00 0.00 N ATOM 0 H GLN A 121 16.240 1.275 0.089 1.00 0.00 H new ATOM 0 HA GLN A 121 16.213 -0.994 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.031 1.014 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.795 -0.517 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.507 -0.362 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.957 -1.107 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.925 1.095 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.786 2.308 -4.634 1.00 0.00 H new ATOM 1824 N ALA A 122 16.603 -1.542 1.605 1.00 0.00 N ATOM 1825 CA ALA A 122 16.699 -2.558 2.640 1.00 0.00 C ATOM 1826 C ALA A 122 15.354 -3.241 2.845 1.00 0.00 C ATOM 1827 O ALA A 122 15.289 -4.366 3.343 1.00 0.00 O ATOM 1828 CB ALA A 122 17.189 -1.943 3.942 1.00 0.00 C ATOM 0 H ALA A 122 16.350 -0.616 1.949 1.00 0.00 H new ATOM 0 HA ALA A 122 17.420 -3.310 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.256 -2.716 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.173 -1.500 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.490 -1.172 4.266 1.00 0.00 H new ATOM 1834 N TRP A 123 14.276 -2.557 2.456 1.00 0.00 N ATOM 1835 CA TRP A 123 12.931 -3.111 2.599 1.00 0.00 C ATOM 1836 C TRP A 123 12.782 -4.404 1.800 1.00 0.00 C ATOM 1837 O TRP A 123 11.868 -5.193 2.042 1.00 0.00 O ATOM 1838 CB TRP A 123 11.880 -2.095 2.147 1.00 0.00 C ATOM 1839 CG TRP A 123 11.395 -1.208 3.255 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.339 0.154 3.248 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.896 -1.623 4.534 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.837 0.609 4.443 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.560 -0.467 5.245 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.700 -2.859 5.146 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.042 -0.518 6.531 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.187 -2.907 6.423 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.861 -1.741 7.105 1.00 0.00 C ATOM 0 H TRP A 123 14.309 -1.625 2.042 1.00 0.00 H new ATOM 0 HA TRP A 123 12.775 -3.337 3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.300 -1.477 1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.031 -2.628 1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.644 0.783 2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.694 1.588 4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.948 -3.771 4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.789 0.387 7.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.036 -3.864 6.901 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.458 -1.805 8.105 1.00 0.00 H new ATOM 1858 N ILE A 124 13.691 -4.620 0.854 1.00 0.00 N ATOM 1859 CA ILE A 124 13.668 -5.823 0.026 1.00 0.00 C ATOM 1860 C ILE A 124 14.996 -6.566 0.120 1.00 0.00 C ATOM 1861 O ILE A 124 15.269 -7.479 -0.659 1.00 0.00 O ATOM 1862 CB ILE A 124 13.376 -5.495 -1.449 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.168 -4.262 -1.891 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.884 -5.281 -1.660 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.630 -4.326 -3.331 1.00 0.00 C ATOM 0 H ILE A 124 14.454 -3.977 0.641 1.00 0.00 H new ATOM 0 HA ILE A 124 12.866 -6.455 0.406 1.00 0.00 H new ATOM 0 HB ILE A 124 13.691 -6.340 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.550 -3.375 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.037 -4.147 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.694 -5.050 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.344 -6.187 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.544 -4.453 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.184 -3.420 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.275 -5.194 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.764 -4.410 -3.988 1.00 0.00 H new ATOM 1877 N ARG A 125 15.816 -6.159 1.082 1.00 0.00 N ATOM 1878 CA ARG A 125 17.122 -6.774 1.295 1.00 0.00 C ATOM 1879 C ARG A 125 16.975 -8.220 1.758 1.00 0.00 C ATOM 1880 O ARG A 125 16.910 -8.495 2.957 1.00 0.00 O ATOM 1881 CB ARG A 125 17.924 -5.975 2.323 1.00 0.00 C ATOM 1882 CG ARG A 125 19.420 -5.966 2.054 1.00 0.00 C ATOM 1883 CD ARG A 125 19.853 -4.684 1.360 1.00 0.00 C ATOM 1884 NE ARG A 125 21.055 -4.878 0.554 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.838 -3.882 0.145 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.545 -2.630 0.466 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.914 -4.141 -0.585 1.00 0.00 N ATOM 0 H ARG A 125 15.599 -5.402 1.730 1.00 0.00 H new ATOM 0 HA ARG A 125 17.657 -6.769 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.560 -4.948 2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.744 -6.391 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.961 -6.072 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.685 -6.823 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.044 -4.325 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.038 -3.912 2.107 1.00 0.00 H new ATOM 0 HE ARG A 125 21.309 -5.830 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.718 -2.428 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.147 -1.869 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.142 -5.104 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.514 -3.378 -0.898 1.00 0.00 H new ATOM 1901 N GLY A 126 16.923 -9.143 0.801 1.00 0.00 N ATOM 1902 CA GLY A 126 16.786 -10.549 1.132 1.00 0.00 C ATOM 1903 C GLY A 126 15.716 -11.241 0.307 1.00 0.00 C ATOM 1904 O GLY A 126 15.564 -12.461 0.375 1.00 0.00 O ATOM 0 H GLY A 126 16.973 -8.941 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.741 -11.050 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.544 -10.648 2.190 1.00 0.00 H new ATOM 1908 N CYS A 127 14.974 -10.460 -0.473 1.00 0.00 N ATOM 1909 CA CYS A 127 13.915 -11.002 -1.311 1.00 0.00 C ATOM 1910 C CYS A 127 14.482 -11.776 -2.494 1.00 0.00 C ATOM 1911 O CYS A 127 15.695 -11.944 -2.615 1.00 0.00 O ATOM 1912 CB CYS A 127 13.013 -9.885 -1.797 1.00 0.00 C ATOM 1913 SG CYS A 127 11.594 -9.546 -0.708 1.00 0.00 S ATOM 0 H CYS A 127 15.089 -9.449 -0.540 1.00 0.00 H new ATOM 0 HA CYS A 127 13.331 -11.697 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.604 -8.975 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.642 -10.138 -2.790 1.00 0.00 H new ATOM 1918 N ARG A 128 13.595 -12.248 -3.365 1.00 0.00 N ATOM 1919 CA ARG A 128 14.006 -13.007 -4.541 1.00 0.00 C ATOM 1920 C ARG A 128 13.281 -12.514 -5.789 1.00 0.00 C ATOM 1921 O ARG A 128 12.204 -13.004 -6.129 1.00 0.00 O ATOM 1922 CB ARG A 128 13.734 -14.499 -4.332 1.00 0.00 C ATOM 1923 CG ARG A 128 12.444 -14.785 -3.580 1.00 0.00 C ATOM 1924 CD ARG A 128 12.641 -15.864 -2.528 1.00 0.00 C ATOM 1925 NE ARG A 128 12.079 -15.479 -1.237 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.670 -16.351 -0.320 1.00 0.00 C ATOM 1927 NH1 ARG A 128 11.762 -17.653 -0.551 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.170 -15.920 0.830 1.00 0.00 N ATOM 0 H ARG A 128 12.587 -12.118 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 128 15.076 -12.857 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.695 -14.992 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 128 14.568 -14.938 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 128 12.089 -13.871 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.673 -15.098 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.173 -16.789 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.706 -16.068 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 128 11.995 -14.485 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.147 -17.988 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.448 -18.320 0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.099 -14.919 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.857 -16.590 1.533 1.00 0.00 H new ATOM 1942 N LEU A 129 13.880 -11.539 -6.467 1.00 0.00 N ATOM 1943 CA LEU A 129 13.292 -10.977 -7.677 1.00 0.00 C ATOM 1944 C LEU A 129 14.370 -10.674 -8.714 1.00 0.00 C ATOM 1945 O LEU A 129 14.074 -10.781 -9.923 1.00 0.00 O ATOM 1946 CB LEU A 129 12.512 -9.704 -7.348 1.00 0.00 C ATOM 1947 CG LEU A 129 13.271 -8.678 -6.505 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.326 -7.336 -7.219 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.625 -8.531 -5.136 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.500 -10.330 -8.308 1.00 0.00 O ATOM 0 H LEU A 129 14.772 -11.123 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 129 12.607 -11.715 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.208 -9.231 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.600 -9.982 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 129 14.292 -9.034 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.870 -6.619 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.835 -7.453 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.313 -6.973 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.178 -7.797 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.594 -8.198 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.640 -9.492 -4.622 1.00 0.00 H new