USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.194 (180deg=-1.08) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.0305 K(o=-0.031,f=-3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= -0.682! (180deg=-0.986!) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0483 (180deg=-0.105) USER MOD Single : A 14 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-0.92) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc=-0.00473 (180deg=-0.114) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.85! C(o=-3.8!,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.399 X(o=-0.4,f=0.011) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.2!) USER MOD Single : A 37 ASN : amide:sc= -2.12! C(o=-2.1!,f=-5.1!) USER MOD Single : A 45 ASN : amide:sc= -6.2! C(o=-6.2!,f=-6.9!) USER MOD Single : A 50 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.4) USER MOD Single : A 55 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.7!) USER MOD Single : A 56 SER OG : rot -75:sc= 1.05 USER MOD Single : A 60 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 64 SER OG : rot 86:sc= 0.907 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc=-0.00206 (180deg=-0.0937) USER MOD Single : A 71 SER OG : rot 89:sc= -0.323! USER MOD Single : A 73 ASN : amide:sc= -0.411 K(o=-0.41,f=-1.5) USER MOD Single : A 76 ASN : amide:sc= -0.777 K(o=-0.78,f=-5.4!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0041 (180deg=-0.156) USER MOD Single : A 90 ASN : amide:sc= -2.66! C(o=-2.7!,f=-5!) USER MOD Single : A 91 SER OG : rot 65:sc= 0.0482 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -4.08! C(o=-4.1!,f=-4.6!) USER MOD Single : A 98 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.301 15.914 -5.020 1.00 0.00 N ATOM 2 CA MET A 1 -6.649 14.588 -4.824 1.00 0.00 C ATOM 3 C MET A 1 -7.686 13.584 -4.331 1.00 0.00 C ATOM 4 O MET A 1 -7.537 12.998 -3.258 1.00 0.00 O ATOM 5 CB MET A 1 -5.523 14.722 -3.797 1.00 0.00 C ATOM 6 CG MET A 1 -4.611 15.887 -4.187 1.00 0.00 C ATOM 7 SD MET A 1 -3.310 16.076 -2.943 1.00 0.00 S ATOM 8 CE MET A 1 -2.871 17.787 -3.333 1.00 0.00 C ATOM 0 H1 MET A 1 -6.785 16.451 -5.746 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.285 15.775 -5.327 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.289 16.442 -4.124 1.00 0.00 H new ATOM 0 HA MET A 1 -6.232 14.239 -5.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.940 14.890 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.948 13.797 -3.749 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.169 15.705 -5.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.191 16.807 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.070 18.117 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.536 17.850 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.742 18.427 -3.194 1.00 0.00 H new ATOM 18 N GLU A 2 -8.738 13.391 -5.121 1.00 0.00 N ATOM 19 CA GLU A 2 -9.797 12.458 -4.756 1.00 0.00 C ATOM 20 C GLU A 2 -9.460 11.048 -5.231 1.00 0.00 C ATOM 21 O GLU A 2 -9.677 10.073 -4.511 1.00 0.00 O ATOM 22 CB GLU A 2 -11.123 12.904 -5.380 1.00 0.00 C ATOM 23 CG GLU A 2 -11.679 14.097 -4.599 1.00 0.00 C ATOM 24 CD GLU A 2 -13.012 14.534 -5.195 1.00 0.00 C ATOM 25 OE1 GLU A 2 -13.369 15.687 -5.016 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.657 13.709 -5.821 1.00 0.00 O ATOM 0 H GLU A 2 -8.879 13.866 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.889 12.450 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.972 13.178 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.838 12.082 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.811 13.827 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.970 14.924 -4.628 1.00 0.00 H new ATOM 33 N GLN A 3 -8.931 10.947 -6.445 1.00 0.00 N ATOM 34 CA GLN A 3 -8.576 9.642 -6.991 1.00 0.00 C ATOM 35 C GLN A 3 -7.581 8.957 -6.058 1.00 0.00 C ATOM 36 O GLN A 3 -7.639 7.743 -5.850 1.00 0.00 O ATOM 37 CB GLN A 3 -8.006 9.792 -8.416 1.00 0.00 C ATOM 38 CG GLN A 3 -6.512 9.440 -8.452 1.00 0.00 C ATOM 39 CD GLN A 3 -5.949 9.721 -9.841 1.00 0.00 C ATOM 40 OE1 GLN A 3 -6.715 9.574 -10.888 1.00 0.00 O flip ATOM 41 NE2 GLN A 3 -4.781 10.083 -9.976 1.00 0.00 N flip ATOM 0 H GLN A 3 -8.741 11.738 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.468 9.019 -7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.553 9.143 -9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.151 10.815 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.973 10.024 -7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.370 8.390 -8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.184 10.197 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.409 10.269 -10.907 1.00 0.00 H new ATOM 50 N PHE A 4 -6.685 9.751 -5.480 1.00 0.00 N ATOM 51 CA PHE A 4 -5.701 9.216 -4.550 1.00 0.00 C ATOM 52 C PHE A 4 -6.414 8.659 -3.326 1.00 0.00 C ATOM 53 O PHE A 4 -6.143 7.540 -2.889 1.00 0.00 O ATOM 54 CB PHE A 4 -4.724 10.315 -4.127 1.00 0.00 C ATOM 55 CG PHE A 4 -3.628 9.713 -3.278 1.00 0.00 C ATOM 56 CD1 PHE A 4 -2.588 8.997 -3.882 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.654 9.871 -1.887 1.00 0.00 C ATOM 58 CE1 PHE A 4 -1.573 8.439 -3.095 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.639 9.313 -1.100 1.00 0.00 C ATOM 60 CZ PHE A 4 -1.599 8.597 -1.705 1.00 0.00 C ATOM 0 H PHE A 4 -6.621 10.757 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.141 8.419 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.295 10.794 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.250 11.088 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.568 8.875 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.457 10.423 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.770 7.887 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.658 9.435 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.816 8.166 -1.098 1.00 0.00 H new ATOM 70 N ASN A 5 -7.341 9.447 -2.786 1.00 0.00 N ATOM 71 CA ASN A 5 -8.105 9.021 -1.621 1.00 0.00 C ATOM 72 C ASN A 5 -8.848 7.729 -1.938 1.00 0.00 C ATOM 73 O ASN A 5 -8.966 6.844 -1.092 1.00 0.00 O ATOM 74 CB ASN A 5 -9.107 10.106 -1.223 1.00 0.00 C ATOM 75 CG ASN A 5 -9.634 9.840 0.183 1.00 0.00 C ATOM 76 OD1 ASN A 5 -9.148 8.939 0.867 1.00 0.00 O ATOM 77 ND2 ASN A 5 -10.603 10.574 0.657 1.00 0.00 N ATOM 0 H ASN A 5 -7.578 10.376 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.419 8.850 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.630 11.085 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.934 10.126 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.960 10.402 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.003 11.320 0.088 1.00 0.00 H new ATOM 84 N ALA A 6 -9.333 7.620 -3.171 1.00 0.00 N ATOM 85 CA ALA A 6 -10.045 6.421 -3.590 1.00 0.00 C ATOM 86 C ALA A 6 -9.145 5.205 -3.407 1.00 0.00 C ATOM 87 O ALA A 6 -9.590 4.148 -2.957 1.00 0.00 O ATOM 88 CB ALA A 6 -10.467 6.545 -5.054 1.00 0.00 C ATOM 0 H ALA A 6 -9.247 8.339 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.939 6.302 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.999 5.643 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.121 7.409 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.582 6.672 -5.678 1.00 0.00 H new ATOM 94 N PHE A 7 -7.865 5.374 -3.732 1.00 0.00 N ATOM 95 CA PHE A 7 -6.904 4.293 -3.569 1.00 0.00 C ATOM 96 C PHE A 7 -6.774 3.971 -2.082 1.00 0.00 C ATOM 97 O PHE A 7 -6.601 2.817 -1.691 1.00 0.00 O ATOM 98 CB PHE A 7 -5.544 4.705 -4.162 1.00 0.00 C ATOM 99 CG PHE A 7 -4.421 4.311 -3.228 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.959 2.990 -3.205 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.845 5.270 -2.385 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.919 2.627 -2.339 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.807 4.906 -1.519 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.344 3.585 -1.497 1.00 0.00 C ATOM 0 H PHE A 7 -7.475 6.240 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.247 3.404 -4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.403 4.228 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.525 5.782 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.404 2.251 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.201 6.289 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.561 1.608 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.363 5.644 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.542 3.305 -0.830 1.00 0.00 H new ATOM 114 N LYS A 8 -6.885 5.014 -1.263 1.00 0.00 N ATOM 115 CA LYS A 8 -6.809 4.866 0.185 1.00 0.00 C ATOM 116 C LYS A 8 -7.973 4.022 0.693 1.00 0.00 C ATOM 117 O LYS A 8 -7.785 3.076 1.462 1.00 0.00 O ATOM 118 CB LYS A 8 -6.865 6.250 0.844 1.00 0.00 C ATOM 119 CG LYS A 8 -6.254 6.172 2.249 1.00 0.00 C ATOM 120 CD LYS A 8 -6.080 7.586 2.822 1.00 0.00 C ATOM 121 CE LYS A 8 -7.392 8.059 3.457 1.00 0.00 C ATOM 122 NZ LYS A 8 -7.424 7.649 4.890 1.00 0.00 N ATOM 0 H LYS A 8 -7.028 5.973 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.872 4.371 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.321 6.975 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.897 6.595 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.897 5.582 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.290 5.665 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.284 7.590 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.781 8.274 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.479 9.142 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.242 7.630 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.314 7.969 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.360 6.613 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.621 8.078 5.392 1.00 0.00 H new ATOM 136 N SER A 9 -9.183 4.363 0.261 1.00 0.00 N ATOM 137 CA SER A 9 -10.345 3.612 0.696 1.00 0.00 C ATOM 138 C SER A 9 -10.185 2.161 0.270 1.00 0.00 C ATOM 139 O SER A 9 -10.744 1.254 0.886 1.00 0.00 O ATOM 140 CB SER A 9 -11.625 4.204 0.108 1.00 0.00 C ATOM 141 OG SER A 9 -12.711 3.323 0.366 1.00 0.00 O ATOM 0 H SER A 9 -9.378 5.136 -0.375 1.00 0.00 H new ATOM 0 HA SER A 9 -10.422 3.667 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.823 5.182 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.510 4.354 -0.966 1.00 0.00 H new ATOM 0 HG SER A 9 -13.534 3.700 -0.008 1.00 0.00 H new ATOM 147 N LEU A 10 -9.393 1.949 -0.780 1.00 0.00 N ATOM 148 CA LEU A 10 -9.141 0.601 -1.264 1.00 0.00 C ATOM 149 C LEU A 10 -8.370 -0.173 -0.198 1.00 0.00 C ATOM 150 O LEU A 10 -8.633 -1.350 0.045 1.00 0.00 O ATOM 151 CB LEU A 10 -8.333 0.639 -2.572 1.00 0.00 C ATOM 152 CG LEU A 10 -8.755 -0.518 -3.493 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.787 -0.619 -4.685 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.738 -1.839 -2.712 1.00 0.00 C ATOM 0 H LEU A 10 -8.922 2.687 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.092 0.108 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.491 1.592 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.268 0.568 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.763 -0.326 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.092 -1.441 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.805 0.314 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.777 -0.802 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.038 -2.655 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.732 -2.027 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.432 -1.775 -1.874 1.00 0.00 H new ATOM 166 N LEU A 11 -7.425 0.511 0.452 1.00 0.00 N ATOM 167 CA LEU A 11 -6.637 -0.117 1.505 1.00 0.00 C ATOM 168 C LEU A 11 -7.569 -0.606 2.605 1.00 0.00 C ATOM 169 O LEU A 11 -7.405 -1.710 3.116 1.00 0.00 O ATOM 170 CB LEU A 11 -5.618 0.875 2.089 1.00 0.00 C ATOM 171 CG LEU A 11 -4.308 0.823 1.289 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.633 2.199 1.321 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.369 -0.218 1.911 1.00 0.00 C ATOM 0 H LEU A 11 -7.192 1.487 0.268 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.090 -0.959 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.028 1.885 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.424 0.635 3.134 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.525 0.548 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.703 2.162 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.298 2.941 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.417 2.474 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.439 -0.255 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.153 0.058 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.846 -1.198 1.889 1.00 0.00 H new ATOM 185 N LYS A 12 -8.562 0.214 2.949 1.00 0.00 N ATOM 186 CA LYS A 12 -9.527 -0.174 3.980 1.00 0.00 C ATOM 187 C LYS A 12 -9.832 -1.667 3.872 1.00 0.00 C ATOM 188 O LYS A 12 -9.637 -2.421 4.825 1.00 0.00 O ATOM 189 CB LYS A 12 -10.821 0.627 3.817 1.00 0.00 C ATOM 190 CG LYS A 12 -11.680 0.469 5.075 1.00 0.00 C ATOM 191 CD LYS A 12 -13.069 1.078 4.837 1.00 0.00 C ATOM 192 CE LYS A 12 -14.002 0.024 4.235 1.00 0.00 C ATOM 193 NZ LYS A 12 -14.386 -0.958 5.288 1.00 0.00 N ATOM 0 H LYS A 12 -8.719 1.134 2.538 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.098 0.036 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.591 1.679 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.370 0.278 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.775 -0.586 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.197 0.960 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.480 1.447 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.991 1.933 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.892 0.502 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.507 -0.487 3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.978 -1.703 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.529 -1.385 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.919 -0.473 6.038 1.00 0.00 H new ATOM 207 N LYS A 13 -10.285 -2.089 2.695 1.00 0.00 N ATOM 208 CA LYS A 13 -10.584 -3.499 2.462 1.00 0.00 C ATOM 209 C LYS A 13 -9.398 -4.353 2.898 1.00 0.00 C ATOM 210 O LYS A 13 -9.564 -5.407 3.511 1.00 0.00 O ATOM 211 CB LYS A 13 -10.862 -3.727 0.968 1.00 0.00 C ATOM 212 CG LYS A 13 -12.082 -4.641 0.799 1.00 0.00 C ATOM 213 CD LYS A 13 -13.371 -3.841 1.041 1.00 0.00 C ATOM 214 CE LYS A 13 -14.426 -4.742 1.690 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.111 -4.910 3.137 1.00 0.00 N ATOM 0 H LYS A 13 -10.452 -1.481 1.893 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.464 -3.782 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.040 -2.773 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.991 -4.176 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.091 -5.068 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.023 -5.474 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.164 -2.986 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.747 -3.446 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.417 -4.304 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.445 -5.713 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.935 -5.314 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.297 -5.549 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.881 -3.985 3.552 1.00 0.00 H new ATOM 229 N HIS A 14 -8.204 -3.876 2.575 1.00 0.00 N ATOM 230 CA HIS A 14 -6.976 -4.578 2.930 1.00 0.00 C ATOM 231 C HIS A 14 -6.772 -4.578 4.440 1.00 0.00 C ATOM 232 O HIS A 14 -6.750 -5.630 5.077 1.00 0.00 O ATOM 233 CB HIS A 14 -5.780 -3.890 2.265 1.00 0.00 C ATOM 234 CG HIS A 14 -4.624 -4.850 2.190 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.676 -6.115 2.753 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.378 -4.742 1.623 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.494 -6.713 2.515 1.00 0.00 C ATOM 238 NE2 HIS A 14 -2.666 -5.921 1.830 1.00 0.00 N ATOM 0 H HIS A 14 -8.058 -3.004 2.067 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.056 -5.608 2.583 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.051 -3.553 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.495 -3.005 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.007 -3.875 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.245 -7.713 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.716 -6.134 1.524 1.00 0.00 H new ATOM 247 N TYR A 15 -6.608 -3.384 5.001 1.00 0.00 N ATOM 248 CA TYR A 15 -6.388 -3.237 6.433 1.00 0.00 C ATOM 249 C TYR A 15 -7.716 -3.176 7.185 1.00 0.00 C ATOM 250 O TYR A 15 -7.801 -2.592 8.266 1.00 0.00 O ATOM 251 CB TYR A 15 -5.588 -1.953 6.694 1.00 0.00 C ATOM 252 CG TYR A 15 -4.103 -2.238 6.616 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.224 -1.580 7.484 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.605 -3.158 5.683 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.851 -1.841 7.422 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.231 -3.418 5.622 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.354 -2.760 6.492 1.00 0.00 C ATOM 258 OH TYR A 15 0.000 -3.018 6.432 1.00 0.00 O ATOM 0 H TYR A 15 -6.624 -2.505 4.484 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.831 -4.102 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.859 -1.192 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.838 -1.553 7.677 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.606 -0.870 8.202 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.281 -3.666 5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.174 -1.333 8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.847 -4.127 4.903 1.00 0.00 H new ATOM 0 HH TYR A 15 0.176 -3.681 5.732 1.00 0.00 H new ATOM 268 N GLU A 16 -8.751 -3.783 6.615 1.00 0.00 N ATOM 269 CA GLU A 16 -10.061 -3.786 7.256 1.00 0.00 C ATOM 270 C GLU A 16 -9.935 -4.237 8.710 1.00 0.00 C ATOM 271 O GLU A 16 -10.347 -3.529 9.629 1.00 0.00 O ATOM 272 CB GLU A 16 -11.013 -4.721 6.495 1.00 0.00 C ATOM 273 CG GLU A 16 -12.259 -3.949 6.049 1.00 0.00 C ATOM 274 CD GLU A 16 -12.996 -3.400 7.265 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.724 -2.434 7.106 1.00 0.00 O ATOM 276 OE2 GLU A 16 -12.823 -3.953 8.338 1.00 0.00 O ATOM 0 H GLU A 16 -8.711 -4.274 5.722 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.466 -2.774 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.506 -5.142 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.302 -5.557 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.973 -3.131 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.918 -4.604 5.479 1.00 0.00 H new ATOM 283 N LYS A 17 -9.358 -5.418 8.909 1.00 0.00 N ATOM 284 CA LYS A 17 -9.176 -5.952 10.253 1.00 0.00 C ATOM 285 C LYS A 17 -7.973 -5.295 10.925 1.00 0.00 C ATOM 286 O LYS A 17 -7.619 -5.634 12.054 1.00 0.00 O ATOM 287 CB LYS A 17 -8.966 -7.469 10.190 1.00 0.00 C ATOM 288 CG LYS A 17 -10.324 -8.176 10.112 1.00 0.00 C ATOM 289 CD LYS A 17 -10.117 -9.666 9.808 1.00 0.00 C ATOM 290 CE LYS A 17 -10.081 -9.887 8.293 1.00 0.00 C ATOM 291 NZ LYS A 17 -11.469 -9.832 7.752 1.00 0.00 N ATOM 0 H LYS A 17 -9.011 -6.019 8.162 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.070 -5.736 10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.361 -7.726 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.419 -7.807 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.860 -8.059 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.938 -7.719 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.186 -10.012 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.922 -10.252 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.463 -9.125 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.628 -10.852 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.489 -10.257 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.108 -10.359 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.780 -8.841 7.694 1.00 0.00 H new ATOM 305 N THR A 18 -7.349 -4.356 10.220 1.00 0.00 N ATOM 306 CA THR A 18 -6.183 -3.652 10.749 1.00 0.00 C ATOM 307 C THR A 18 -6.425 -2.146 10.754 1.00 0.00 C ATOM 308 O THR A 18 -5.647 -1.382 10.183 1.00 0.00 O ATOM 309 CB THR A 18 -4.951 -3.974 9.897 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.785 -5.383 9.825 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.700 -3.344 10.522 1.00 0.00 C ATOM 0 H THR A 18 -7.629 -4.065 9.284 1.00 0.00 H new ATOM 0 HA THR A 18 -6.012 -3.983 11.773 1.00 0.00 H new ATOM 0 HB THR A 18 -5.092 -3.567 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.999 -5.592 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.830 -3.579 9.909 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.825 -2.263 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.555 -3.743 11.526 1.00 0.00 H new ATOM 319 N ILE A 19 -7.506 -1.723 11.402 1.00 0.00 N ATOM 320 CA ILE A 19 -7.832 -0.303 11.473 1.00 0.00 C ATOM 321 C ILE A 19 -6.996 0.379 12.550 1.00 0.00 C ATOM 322 O ILE A 19 -6.202 1.269 12.249 1.00 0.00 O ATOM 323 CB ILE A 19 -9.325 -0.114 11.765 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.635 1.382 11.874 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.697 -0.812 13.079 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.150 1.587 11.927 1.00 0.00 C ATOM 0 H ILE A 19 -8.165 -2.336 11.881 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.603 0.154 10.510 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.907 -0.552 10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.170 1.796 12.768 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.215 1.914 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.760 -0.672 13.277 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.480 -1.877 12.999 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.116 -0.384 13.896 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.371 2.652 12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.603 1.188 11.020 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.557 1.068 12.795 1.00 0.00 H new ATOM 338 N GLY A 20 -7.177 -0.039 13.804 1.00 0.00 N ATOM 339 CA GLY A 20 -6.425 0.546 14.914 1.00 0.00 C ATOM 340 C GLY A 20 -5.064 1.046 14.441 1.00 0.00 C ATOM 341 O GLY A 20 -4.776 2.241 14.501 1.00 0.00 O ATOM 0 H GLY A 20 -7.831 -0.773 14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.990 1.371 15.347 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.292 -0.197 15.700 1.00 0.00 H new ATOM 345 N PHE A 21 -4.240 0.124 13.957 1.00 0.00 N ATOM 346 CA PHE A 21 -2.919 0.487 13.459 1.00 0.00 C ATOM 347 C PHE A 21 -3.018 1.756 12.616 1.00 0.00 C ATOM 348 O PHE A 21 -2.279 2.716 12.829 1.00 0.00 O ATOM 349 CB PHE A 21 -2.348 -0.655 12.616 1.00 0.00 C ATOM 350 CG PHE A 21 -1.005 -0.253 12.055 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.859 -0.026 10.681 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.097 -0.109 12.908 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.387 0.343 10.161 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.342 0.262 12.387 1.00 0.00 C ATOM 355 CZ PHE A 21 1.487 0.487 11.013 1.00 0.00 C ATOM 0 H PHE A 21 -4.460 -0.870 13.899 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.255 0.669 14.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.244 -1.553 13.225 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.034 -0.898 11.804 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.708 -0.136 10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.014 -0.284 13.968 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.499 0.517 9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.191 0.375 13.045 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.448 0.772 10.611 1.00 0.00 H new ATOM 365 N HIS A 22 -3.949 1.754 11.666 1.00 0.00 N ATOM 366 CA HIS A 22 -4.153 2.914 10.805 1.00 0.00 C ATOM 367 C HIS A 22 -4.545 4.130 11.641 1.00 0.00 C ATOM 368 O HIS A 22 -3.956 5.201 11.492 1.00 0.00 O ATOM 369 CB HIS A 22 -5.237 2.616 9.765 1.00 0.00 C ATOM 370 CG HIS A 22 -5.386 3.789 8.836 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.330 4.779 9.049 1.00 0.00 N ATOM 372 CD2 HIS A 22 -4.728 4.137 7.682 1.00 0.00 C ATOM 373 CE1 HIS A 22 -6.217 5.669 8.046 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.255 5.325 7.185 1.00 0.00 N ATOM 0 H HIS A 22 -4.570 0.968 11.474 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.220 3.133 10.286 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.975 1.722 9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.185 2.411 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.925 3.575 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.829 6.553 7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.968 5.826 6.344 1.00 0.00 H new ATOM 383 N ASP A 23 -5.520 3.970 12.530 1.00 0.00 N ATOM 384 CA ASP A 23 -5.936 5.081 13.378 1.00 0.00 C ATOM 385 C ASP A 23 -4.769 5.526 14.254 1.00 0.00 C ATOM 386 O ASP A 23 -4.878 6.479 15.023 1.00 0.00 O ATOM 387 CB ASP A 23 -7.113 4.658 14.260 1.00 0.00 C ATOM 388 CG ASP A 23 -7.800 5.889 14.843 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.631 6.461 14.158 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.484 6.242 15.969 1.00 0.00 O ATOM 0 H ASP A 23 -6.029 3.099 12.681 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.249 5.911 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.826 4.077 13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.761 4.013 15.065 1.00 0.00 H new ATOM 395 N LYS A 24 -3.654 4.811 14.128 1.00 0.00 N ATOM 396 CA LYS A 24 -2.452 5.106 14.902 1.00 0.00 C ATOM 397 C LYS A 24 -1.474 5.976 14.112 1.00 0.00 C ATOM 398 O LYS A 24 -1.333 7.163 14.408 1.00 0.00 O ATOM 399 CB LYS A 24 -1.764 3.797 15.322 1.00 0.00 C ATOM 400 CG LYS A 24 -1.079 3.978 16.684 1.00 0.00 C ATOM 401 CD LYS A 24 -2.091 3.735 17.809 1.00 0.00 C ATOM 402 CE LYS A 24 -1.440 4.040 19.161 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.500 4.227 20.191 1.00 0.00 N ATOM 0 H LYS A 24 -3.558 4.018 13.493 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.755 5.662 15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.498 2.993 15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.029 3.506 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.244 3.283 16.777 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.667 4.984 16.764 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.968 4.366 17.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.435 2.701 17.785 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.777 3.224 19.450 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.827 4.938 19.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.059 4.434 21.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.115 5.019 19.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.067 3.358 20.267 1.00 0.00 H new ATOM 417 N TYR A 25 -0.775 5.403 13.132 1.00 0.00 N ATOM 418 CA TYR A 25 0.196 6.190 12.368 1.00 0.00 C ATOM 419 C TYR A 25 -0.354 6.605 11.006 1.00 0.00 C ATOM 420 O TYR A 25 -0.714 7.765 10.804 1.00 0.00 O ATOM 421 CB TYR A 25 1.490 5.399 12.184 1.00 0.00 C ATOM 422 CG TYR A 25 1.930 4.839 13.518 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.984 3.453 13.714 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.283 5.708 14.557 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.392 2.938 14.949 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.691 5.192 15.793 1.00 0.00 C ATOM 427 CZ TYR A 25 2.745 3.807 15.989 1.00 0.00 C ATOM 428 OH TYR A 25 3.145 3.299 17.208 1.00 0.00 O ATOM 0 H TYR A 25 -0.857 4.425 12.853 1.00 0.00 H new ATOM 0 HA TYR A 25 0.400 7.097 12.937 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.336 4.590 11.470 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.268 6.043 11.773 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.711 2.783 12.912 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.241 6.776 14.405 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.435 1.870 15.101 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.964 5.862 16.595 1.00 0.00 H new ATOM 0 HH TYR A 25 3.355 4.037 17.817 1.00 0.00 H new ATOM 438 N ILE A 26 -0.400 5.662 10.069 1.00 0.00 N ATOM 439 CA ILE A 26 -0.893 5.957 8.725 1.00 0.00 C ATOM 440 C ILE A 26 -2.074 6.922 8.776 1.00 0.00 C ATOM 441 O ILE A 26 -2.337 7.636 7.807 1.00 0.00 O ATOM 442 CB ILE A 26 -1.316 4.669 8.020 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.115 3.723 7.924 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.815 5.003 6.612 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.574 2.363 7.392 1.00 0.00 C ATOM 0 H ILE A 26 -0.105 4.696 10.212 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.083 6.425 8.167 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.114 4.188 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.642 4.146 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.347 3.604 8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.118 4.086 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.668 5.679 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.016 5.482 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.282 1.691 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.316 1.939 8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.015 2.489 6.403 1.00 0.00 H new ATOM 457 N LYS A 27 -2.777 6.935 9.910 1.00 0.00 N ATOM 458 CA LYS A 27 -3.939 7.811 10.099 1.00 0.00 C ATOM 459 C LYS A 27 -4.344 8.489 8.788 1.00 0.00 C ATOM 460 O LYS A 27 -4.855 7.843 7.875 1.00 0.00 O ATOM 461 CB LYS A 27 -3.626 8.880 11.152 1.00 0.00 C ATOM 462 CG LYS A 27 -3.689 8.272 12.554 1.00 0.00 C ATOM 463 CD LYS A 27 -3.201 9.309 13.576 1.00 0.00 C ATOM 464 CE LYS A 27 -3.739 8.965 14.968 1.00 0.00 C ATOM 465 NZ LYS A 27 -3.457 10.094 15.900 1.00 0.00 N ATOM 0 H LYS A 27 -2.562 6.347 10.715 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.770 7.193 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.636 9.299 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.339 9.701 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.710 7.968 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.070 7.376 12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.111 9.330 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.535 10.305 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.812 8.778 14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.272 8.051 15.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.822 9.862 16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.430 10.252 15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.922 10.956 15.551 1.00 0.00 H new ATOM 479 N ASP A 28 -4.108 9.795 8.705 1.00 0.00 N ATOM 480 CA ASP A 28 -4.447 10.551 7.506 1.00 0.00 C ATOM 481 C ASP A 28 -3.509 11.742 7.356 1.00 0.00 C ATOM 482 O ASP A 28 -3.929 12.895 7.467 1.00 0.00 O ATOM 483 CB ASP A 28 -5.894 11.040 7.589 1.00 0.00 C ATOM 484 CG ASP A 28 -6.393 11.436 6.203 1.00 0.00 C ATOM 485 OD1 ASP A 28 -5.589 11.915 5.421 1.00 0.00 O ATOM 486 OD2 ASP A 28 -7.571 11.254 5.945 1.00 0.00 O ATOM 0 H ASP A 28 -3.685 10.349 9.450 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.338 9.901 6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.528 10.256 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.960 11.892 8.265 1.00 0.00 H new ATOM 491 N ILE A 29 -2.235 11.455 7.109 1.00 0.00 N ATOM 492 CA ILE A 29 -1.241 12.509 6.951 1.00 0.00 C ATOM 493 C ILE A 29 -1.619 13.430 5.795 1.00 0.00 C ATOM 494 O ILE A 29 -2.786 13.783 5.628 1.00 0.00 O ATOM 495 CB ILE A 29 0.141 11.894 6.692 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.289 10.609 7.514 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.234 12.889 7.100 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.729 10.100 7.417 1.00 0.00 C ATOM 0 H ILE A 29 -1.869 10.508 7.015 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.208 13.094 7.870 1.00 0.00 H new ATOM 0 HB ILE A 29 0.241 11.663 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.029 10.800 8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.401 9.849 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.214 12.449 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.130 13.803 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.136 13.123 8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.832 9.186 8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.972 9.893 6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.410 10.858 7.805 1.00 0.00 H new ATOM 510 N ASN A 30 -0.627 13.815 5.001 1.00 0.00 N ATOM 511 CA ASN A 30 -0.873 14.694 3.866 1.00 0.00 C ATOM 512 C ASN A 30 0.400 14.884 3.049 1.00 0.00 C ATOM 513 O ASN A 30 0.629 15.952 2.482 1.00 0.00 O ATOM 514 CB ASN A 30 -1.373 16.055 4.354 1.00 0.00 C ATOM 515 CG ASN A 30 -0.394 16.638 5.366 1.00 0.00 C ATOM 516 OD1 ASN A 30 0.477 17.429 5.004 1.00 0.00 O ATOM 517 ND2 ASN A 30 -0.485 16.295 6.622 1.00 0.00 N ATOM 0 H ASN A 30 0.347 13.535 5.121 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.633 14.233 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.484 16.735 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.358 15.948 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.166 16.682 7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.207 15.640 6.921 1.00 0.00 H new ATOM 524 N ARG A 31 1.224 13.841 2.986 1.00 0.00 N ATOM 525 CA ARG A 31 2.469 13.912 2.227 1.00 0.00 C ATOM 526 C ARG A 31 2.721 12.599 1.489 1.00 0.00 C ATOM 527 O ARG A 31 3.298 11.657 2.034 1.00 0.00 O ATOM 528 CB ARG A 31 3.644 14.235 3.156 1.00 0.00 C ATOM 529 CG ARG A 31 4.745 14.955 2.367 1.00 0.00 C ATOM 530 CD ARG A 31 4.376 16.433 2.171 1.00 0.00 C ATOM 531 NE ARG A 31 5.177 17.274 3.055 1.00 0.00 N ATOM 532 CZ ARG A 31 5.336 18.570 2.811 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.772 19.111 1.765 1.00 0.00 N ATOM 534 NH2 ARG A 31 6.055 19.303 3.616 1.00 0.00 N ATOM 0 H ARG A 31 1.055 12.946 3.446 1.00 0.00 H new ATOM 0 HA ARG A 31 2.379 14.711 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.306 14.862 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.037 13.317 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.694 14.877 2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.881 14.475 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.542 16.722 1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.316 16.581 2.378 1.00 0.00 H new ATOM 0 HE ARG A 31 5.622 16.860 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.210 18.538 1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.894 20.106 1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.496 18.881 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.177 20.298 3.428 1.00 0.00 H new ATOM 548 N PHE A 32 2.278 12.565 0.239 1.00 0.00 N ATOM 549 CA PHE A 32 2.433 11.395 -0.619 1.00 0.00 C ATOM 550 C PHE A 32 2.569 11.855 -2.067 1.00 0.00 C ATOM 551 O PHE A 32 1.827 12.729 -2.517 1.00 0.00 O ATOM 552 CB PHE A 32 1.215 10.477 -0.482 1.00 0.00 C ATOM 553 CG PHE A 32 0.004 11.145 -1.089 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.211 11.082 -2.470 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.904 11.827 -0.269 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.334 11.701 -3.033 1.00 0.00 C ATOM 557 CE2 PHE A 32 -2.026 12.446 -0.832 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.241 12.383 -2.214 1.00 0.00 C ATOM 0 H PHE A 32 1.801 13.347 -0.210 1.00 0.00 H new ATOM 0 HA PHE A 32 3.324 10.842 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.406 9.526 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.031 10.255 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.489 10.556 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.738 11.875 0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.500 11.652 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.726 12.972 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.107 12.861 -2.648 1.00 0.00 H new ATOM 568 N VAL A 33 3.527 11.281 -2.790 1.00 0.00 N ATOM 569 CA VAL A 33 3.754 11.666 -4.183 1.00 0.00 C ATOM 570 C VAL A 33 3.756 10.452 -5.104 1.00 0.00 C ATOM 571 O VAL A 33 4.470 9.477 -4.867 1.00 0.00 O ATOM 572 CB VAL A 33 5.093 12.396 -4.305 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.135 13.555 -3.308 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.235 11.421 -4.004 1.00 0.00 C ATOM 0 H VAL A 33 4.153 10.555 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 33 2.939 12.324 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 33 5.204 12.784 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.089 14.075 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.322 14.249 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.024 13.168 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.189 11.940 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.124 11.032 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.205 10.595 -4.715 1.00 0.00 H new ATOM 584 N PHE A 34 2.955 10.528 -6.165 1.00 0.00 N ATOM 585 CA PHE A 34 2.868 9.441 -7.135 1.00 0.00 C ATOM 586 C PHE A 34 3.036 9.986 -8.550 1.00 0.00 C ATOM 587 O PHE A 34 2.200 9.746 -9.422 1.00 0.00 O ATOM 588 CB PHE A 34 1.517 8.732 -7.014 1.00 0.00 C ATOM 589 CG PHE A 34 0.420 9.644 -7.500 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.267 9.345 -8.682 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.091 10.787 -6.766 1.00 0.00 C ATOM 592 CE1 PHE A 34 -1.287 10.193 -9.131 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.929 11.635 -7.213 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.618 11.338 -8.396 1.00 0.00 C ATOM 0 H PHE A 34 2.359 11.329 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 34 3.665 8.727 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.524 7.812 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.335 8.449 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.011 8.461 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.623 11.016 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.818 9.964 -10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.185 12.518 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.405 11.992 -8.741 1.00 0.00 H new ATOM 604 N LYS A 35 4.120 10.725 -8.766 1.00 0.00 N ATOM 605 CA LYS A 35 4.393 11.313 -10.076 1.00 0.00 C ATOM 606 C LYS A 35 5.711 10.782 -10.633 1.00 0.00 C ATOM 607 O LYS A 35 6.530 11.541 -11.149 1.00 0.00 O ATOM 608 CB LYS A 35 4.463 12.838 -9.954 1.00 0.00 C ATOM 609 CG LYS A 35 4.269 13.478 -11.332 1.00 0.00 C ATOM 610 CD LYS A 35 4.259 15.007 -11.197 1.00 0.00 C ATOM 611 CE LYS A 35 2.835 15.495 -10.909 1.00 0.00 C ATOM 612 NZ LYS A 35 2.894 16.830 -10.247 1.00 0.00 N ATOM 0 H LYS A 35 4.822 10.931 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 35 3.587 11.039 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.695 13.193 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.425 13.135 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.070 13.168 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.333 13.136 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.928 15.314 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.631 15.464 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.267 15.562 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.317 14.782 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.929 17.163 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.422 16.752 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.373 17.508 -10.874 1.00 0.00 H new ATOM 626 N ASN A 36 5.900 9.472 -10.525 1.00 0.00 N ATOM 627 CA ASN A 36 7.116 8.837 -11.019 1.00 0.00 C ATOM 628 C ASN A 36 6.881 7.345 -11.234 1.00 0.00 C ATOM 629 O ASN A 36 7.819 6.550 -11.206 1.00 0.00 O ATOM 630 CB ASN A 36 8.255 9.034 -10.016 1.00 0.00 C ATOM 631 CG ASN A 36 8.465 10.520 -9.749 1.00 0.00 C ATOM 632 OD1 ASN A 36 8.988 11.238 -10.601 1.00 0.00 O ATOM 633 ND2 ASN A 36 8.085 11.029 -8.609 1.00 0.00 N ATOM 0 H ASN A 36 5.229 8.831 -10.101 1.00 0.00 H new ATOM 0 HA ASN A 36 7.387 9.298 -11.969 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.023 8.518 -9.084 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.173 8.593 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.221 12.023 -8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.652 10.433 -7.904 1.00 0.00 H new ATOM 640 N ASN A 37 5.620 6.976 -11.444 1.00 0.00 N ATOM 641 CA ASN A 37 5.263 5.578 -11.657 1.00 0.00 C ATOM 642 C ASN A 37 5.292 4.817 -10.336 1.00 0.00 C ATOM 643 O ASN A 37 4.813 3.687 -10.242 1.00 0.00 O ATOM 644 CB ASN A 37 6.235 4.929 -12.651 1.00 0.00 C ATOM 645 CG ASN A 37 5.548 3.784 -13.387 1.00 0.00 C ATOM 646 OD1 ASN A 37 5.288 2.734 -12.801 1.00 0.00 O ATOM 647 ND2 ASN A 37 5.236 3.924 -14.647 1.00 0.00 N ATOM 0 H ASN A 37 4.832 7.623 -11.471 1.00 0.00 H new ATOM 0 HA ASN A 37 4.254 5.537 -12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.585 5.673 -13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.113 4.557 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.776 3.163 -15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.452 4.795 -15.132 1.00 0.00 H new ATOM 654 N VAL A 38 5.865 5.451 -9.319 1.00 0.00 N ATOM 655 CA VAL A 38 5.968 4.840 -7.996 1.00 0.00 C ATOM 656 C VAL A 38 5.234 5.692 -6.970 1.00 0.00 C ATOM 657 O VAL A 38 4.841 6.819 -7.263 1.00 0.00 O ATOM 658 CB VAL A 38 7.444 4.707 -7.597 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.592 3.652 -6.496 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.267 4.287 -8.819 1.00 0.00 C ATOM 0 H VAL A 38 6.265 6.387 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 38 5.514 3.850 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 38 7.803 5.667 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.642 3.562 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.009 3.951 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.230 2.691 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.315 4.192 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.903 3.329 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.168 5.040 -9.600 1.00 0.00 H new ATOM 670 N LEU A 39 5.046 5.149 -5.771 1.00 0.00 N ATOM 671 CA LEU A 39 4.347 5.879 -4.719 1.00 0.00 C ATOM 672 C LEU A 39 5.147 5.874 -3.422 1.00 0.00 C ATOM 673 O LEU A 39 5.494 4.816 -2.897 1.00 0.00 O ATOM 674 CB LEU A 39 2.970 5.257 -4.469 1.00 0.00 C ATOM 675 CG LEU A 39 2.100 5.441 -5.716 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.473 4.404 -6.785 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.622 5.289 -5.336 1.00 0.00 C ATOM 0 H LEU A 39 5.364 4.217 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 39 4.228 6.910 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.073 4.197 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.496 5.728 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 39 2.270 6.438 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.846 4.547 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.520 4.527 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.318 3.401 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.003 5.420 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.454 4.296 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.358 6.043 -4.595 1.00 0.00 H new ATOM 689 N LEU A 40 5.423 7.069 -2.909 1.00 0.00 N ATOM 690 CA LEU A 40 6.170 7.211 -1.663 1.00 0.00 C ATOM 691 C LEU A 40 5.300 7.930 -0.636 1.00 0.00 C ATOM 692 O LEU A 40 4.473 8.771 -0.992 1.00 0.00 O ATOM 693 CB LEU A 40 7.466 8.003 -1.914 1.00 0.00 C ATOM 694 CG LEU A 40 8.690 7.171 -1.498 1.00 0.00 C ATOM 695 CD1 LEU A 40 9.943 7.728 -2.180 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.868 7.240 0.025 1.00 0.00 C ATOM 0 H LEU A 40 5.141 7.952 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 40 6.436 6.225 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.540 8.268 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.444 8.936 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 40 8.539 6.134 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.811 7.138 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.821 7.678 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.090 8.765 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.736 6.649 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.016 8.277 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.978 6.843 0.514 1.00 0.00 H new ATOM 708 N ILE A 41 5.487 7.594 0.636 1.00 0.00 N ATOM 709 CA ILE A 41 4.702 8.219 1.700 1.00 0.00 C ATOM 710 C ILE A 41 5.557 8.454 2.943 1.00 0.00 C ATOM 711 O ILE A 41 6.353 7.597 3.336 1.00 0.00 O ATOM 712 CB ILE A 41 3.516 7.322 2.071 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.538 7.239 0.896 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.796 7.906 3.290 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.480 6.173 1.185 1.00 0.00 C ATOM 0 H ILE A 41 6.165 6.902 0.955 1.00 0.00 H new ATOM 0 HA ILE A 41 4.341 9.179 1.332 1.00 0.00 H new ATOM 0 HB ILE A 41 3.883 6.323 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.061 8.206 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.075 6.994 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.952 7.268 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.488 7.959 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.434 8.907 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.784 6.115 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.965 5.207 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.936 6.437 2.092 1.00 0.00 H new ATOM 727 N LEU A 42 5.381 9.619 3.559 1.00 0.00 N ATOM 728 CA LEU A 42 6.134 9.956 4.762 1.00 0.00 C ATOM 729 C LEU A 42 5.789 8.986 5.890 1.00 0.00 C ATOM 730 O LEU A 42 4.619 8.698 6.141 1.00 0.00 O ATOM 731 CB LEU A 42 5.809 11.391 5.198 1.00 0.00 C ATOM 732 CG LEU A 42 6.649 12.394 4.395 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.115 12.341 4.843 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.558 12.066 2.900 1.00 0.00 C ATOM 0 H LEU A 42 4.730 10.340 3.248 1.00 0.00 H new ATOM 0 HA LEU A 42 7.199 9.879 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.748 11.592 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.009 11.509 6.263 1.00 0.00 H new ATOM 0 HG LEU A 42 6.261 13.397 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.698 13.058 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.181 12.590 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.509 11.338 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.156 12.780 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.935 11.058 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.519 12.126 2.577 1.00 0.00 H new ATOM 746 N LEU A 43 6.819 8.484 6.560 1.00 0.00 N ATOM 747 CA LEU A 43 6.627 7.541 7.658 1.00 0.00 C ATOM 748 C LEU A 43 7.796 7.623 8.640 1.00 0.00 C ATOM 749 O LEU A 43 8.913 7.215 8.322 1.00 0.00 O ATOM 750 CB LEU A 43 6.520 6.121 7.096 1.00 0.00 C ATOM 751 CG LEU A 43 5.889 5.188 8.136 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.390 5.490 8.279 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.074 3.734 7.688 1.00 0.00 C ATOM 0 H LEU A 43 7.794 8.712 6.364 1.00 0.00 H new ATOM 0 HA LEU A 43 5.709 7.794 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.918 6.126 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.509 5.755 6.821 1.00 0.00 H new ATOM 0 HG LEU A 43 6.376 5.345 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.953 4.821 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.256 6.523 8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.896 5.340 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.627 3.067 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.589 3.586 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.138 3.514 7.597 1.00 0.00 H new ATOM 765 N GLU A 44 7.533 8.163 9.829 1.00 0.00 N ATOM 766 CA GLU A 44 8.575 8.308 10.845 1.00 0.00 C ATOM 767 C GLU A 44 8.645 7.083 11.756 1.00 0.00 C ATOM 768 O GLU A 44 9.694 6.451 11.874 1.00 0.00 O ATOM 769 CB GLU A 44 8.303 9.555 11.688 1.00 0.00 C ATOM 770 CG GLU A 44 8.463 10.803 10.818 1.00 0.00 C ATOM 771 CD GLU A 44 8.072 12.046 11.609 1.00 0.00 C ATOM 772 OE1 GLU A 44 8.416 13.133 11.175 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.435 11.893 12.639 1.00 0.00 O ATOM 0 H GLU A 44 6.615 8.505 10.112 1.00 0.00 H new ATOM 0 HA GLU A 44 9.532 8.405 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.296 9.514 12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.993 9.595 12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.495 10.889 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.840 10.718 9.928 1.00 0.00 H new ATOM 780 N ASN A 45 7.529 6.762 12.406 1.00 0.00 N ATOM 781 CA ASN A 45 7.478 5.616 13.315 1.00 0.00 C ATOM 782 C ASN A 45 8.319 4.456 12.782 1.00 0.00 C ATOM 783 O ASN A 45 7.822 3.606 12.044 1.00 0.00 O ATOM 784 CB ASN A 45 6.026 5.160 13.499 1.00 0.00 C ATOM 785 CG ASN A 45 5.340 6.012 14.562 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.281 5.622 15.728 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.815 7.159 14.229 1.00 0.00 N ATOM 0 H ASN A 45 6.651 7.275 12.322 1.00 0.00 H new ATOM 0 HA ASN A 45 7.888 5.925 14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.489 5.241 12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.001 4.110 13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.355 7.734 14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.865 7.481 13.262 1.00 0.00 H new ATOM 794 N GLU A 46 9.593 4.432 13.172 1.00 0.00 N ATOM 795 CA GLU A 46 10.511 3.379 12.739 1.00 0.00 C ATOM 796 C GLU A 46 9.826 2.017 12.750 1.00 0.00 C ATOM 797 O GLU A 46 10.202 1.119 11.998 1.00 0.00 O ATOM 798 CB GLU A 46 11.733 3.349 13.663 1.00 0.00 C ATOM 799 CG GLU A 46 12.552 2.083 13.397 1.00 0.00 C ATOM 800 CD GLU A 46 13.944 2.228 14.003 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.386 1.293 14.651 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.546 3.271 13.811 1.00 0.00 O ATOM 0 H GLU A 46 10.013 5.129 13.787 1.00 0.00 H new ATOM 0 HA GLU A 46 10.826 3.596 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.348 4.233 13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.414 3.375 14.705 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.048 1.217 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.629 1.908 12.324 1.00 0.00 H new ATOM 809 N PHE A 47 8.822 1.868 13.603 1.00 0.00 N ATOM 810 CA PHE A 47 8.100 0.607 13.693 1.00 0.00 C ATOM 811 C PHE A 47 7.255 0.396 12.442 1.00 0.00 C ATOM 812 O PHE A 47 7.553 -0.464 11.612 1.00 0.00 O ATOM 813 CB PHE A 47 7.202 0.607 14.932 1.00 0.00 C ATOM 814 CG PHE A 47 6.831 -0.812 15.287 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.755 -1.633 15.943 1.00 0.00 C ATOM 816 CD2 PHE A 47 5.564 -1.308 14.958 1.00 0.00 C ATOM 817 CE1 PHE A 47 7.414 -2.950 16.271 1.00 0.00 C ATOM 818 CE2 PHE A 47 5.221 -2.626 15.285 1.00 0.00 C ATOM 819 CZ PHE A 47 6.147 -3.447 15.942 1.00 0.00 C ATOM 0 H PHE A 47 8.492 2.596 14.236 1.00 0.00 H new ATOM 0 HA PHE A 47 8.821 -0.206 13.774 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.718 1.079 15.768 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.302 1.192 14.742 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.732 -1.250 16.196 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.851 -0.674 14.452 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.128 -3.583 16.778 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.244 -3.009 15.031 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.883 -4.463 16.195 1.00 0.00 H new ATOM 829 N ALA A 48 6.191 1.180 12.323 1.00 0.00 N ATOM 830 CA ALA A 48 5.292 1.077 11.180 1.00 0.00 C ATOM 831 C ALA A 48 6.063 0.823 9.886 1.00 0.00 C ATOM 832 O ALA A 48 5.556 0.168 8.979 1.00 0.00 O ATOM 833 CB ALA A 48 4.479 2.365 11.043 1.00 0.00 C ATOM 0 H ALA A 48 5.929 1.894 13.003 1.00 0.00 H new ATOM 0 HA ALA A 48 4.625 0.232 11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.809 2.283 10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.894 2.524 11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.154 3.208 10.895 1.00 0.00 H new ATOM 839 N ARG A 49 7.290 1.333 9.804 1.00 0.00 N ATOM 840 CA ARG A 49 8.102 1.136 8.603 1.00 0.00 C ATOM 841 C ARG A 49 8.773 -0.235 8.641 1.00 0.00 C ATOM 842 O ARG A 49 9.006 -0.855 7.603 1.00 0.00 O ATOM 843 CB ARG A 49 9.178 2.231 8.484 1.00 0.00 C ATOM 844 CG ARG A 49 8.930 3.331 9.514 1.00 0.00 C ATOM 845 CD ARG A 49 9.811 4.541 9.196 1.00 0.00 C ATOM 846 NE ARG A 49 11.213 4.222 9.443 1.00 0.00 N ATOM 847 CZ ARG A 49 11.978 3.689 8.493 1.00 0.00 C ATOM 848 NH1 ARG A 49 11.485 3.459 7.308 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.225 3.401 8.747 1.00 0.00 N ATOM 0 H ARG A 49 7.739 1.877 10.541 1.00 0.00 H new ATOM 0 HA ARG A 49 7.444 1.195 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.166 1.797 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.166 2.654 7.480 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.879 3.621 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.150 2.962 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.675 4.835 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.510 5.390 9.809 1.00 0.00 H new ATOM 0 HE ARG A 49 11.615 4.411 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.511 3.688 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.073 3.051 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.612 3.584 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.812 2.993 8.020 1.00 0.00 H new ATOM 863 N ASN A 50 9.087 -0.691 9.846 1.00 0.00 N ATOM 864 CA ASN A 50 9.740 -1.980 10.022 1.00 0.00 C ATOM 865 C ASN A 50 8.921 -3.096 9.380 1.00 0.00 C ATOM 866 O ASN A 50 9.456 -3.978 8.711 1.00 0.00 O ATOM 867 CB ASN A 50 9.889 -2.272 11.516 1.00 0.00 C ATOM 868 CG ASN A 50 10.748 -3.514 11.723 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.974 -3.419 11.790 1.00 0.00 O ATOM 870 ND2 ASN A 50 10.176 -4.682 11.828 1.00 0.00 N ATOM 0 H ASN A 50 8.900 -0.189 10.714 1.00 0.00 H new ATOM 0 HA ASN A 50 10.718 -1.940 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.344 -1.418 12.018 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.907 -2.420 11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.744 -5.518 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.160 -4.759 11.772 1.00 0.00 H new ATOM 877 N SER A 51 7.614 -3.047 9.629 1.00 0.00 N ATOM 878 CA SER A 51 6.677 -4.051 9.123 1.00 0.00 C ATOM 879 C SER A 51 6.141 -3.707 7.734 1.00 0.00 C ATOM 880 O SER A 51 6.141 -4.548 6.832 1.00 0.00 O ATOM 881 CB SER A 51 5.498 -4.154 10.095 1.00 0.00 C ATOM 882 OG SER A 51 5.141 -5.520 10.257 1.00 0.00 O ATOM 0 H SER A 51 7.175 -2.313 10.185 1.00 0.00 H new ATOM 0 HA SER A 51 7.215 -4.996 9.043 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.767 -3.720 11.058 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.648 -3.587 9.715 1.00 0.00 H new ATOM 0 HG SER A 51 4.388 -5.590 10.880 1.00 0.00 H new ATOM 888 N LEU A 52 5.659 -2.482 7.571 1.00 0.00 N ATOM 889 CA LEU A 52 5.097 -2.066 6.292 1.00 0.00 C ATOM 890 C LEU A 52 6.017 -2.441 5.136 1.00 0.00 C ATOM 891 O LEU A 52 5.589 -3.089 4.180 1.00 0.00 O ATOM 892 CB LEU A 52 4.848 -0.553 6.285 1.00 0.00 C ATOM 893 CG LEU A 52 3.561 -0.233 7.060 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.429 1.283 7.225 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.338 -0.772 6.299 1.00 0.00 C ATOM 0 H LEU A 52 5.645 -1.767 8.298 1.00 0.00 H new ATOM 0 HA LEU A 52 4.149 -2.588 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.694 -0.034 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.764 -0.194 5.259 1.00 0.00 H new ATOM 0 HG LEU A 52 3.609 -0.708 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.516 1.511 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.289 1.665 7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.388 1.754 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.431 -0.540 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.288 -0.306 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.427 -1.852 6.185 1.00 0.00 H new ATOM 907 N ASN A 53 7.277 -2.028 5.217 1.00 0.00 N ATOM 908 CA ASN A 53 8.227 -2.333 4.153 1.00 0.00 C ATOM 909 C ASN A 53 8.602 -3.812 4.169 1.00 0.00 C ATOM 910 O ASN A 53 9.217 -4.310 3.226 1.00 0.00 O ATOM 911 CB ASN A 53 9.481 -1.469 4.290 1.00 0.00 C ATOM 912 CG ASN A 53 10.484 -1.829 3.200 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.156 -1.783 2.014 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.692 -2.190 3.533 1.00 0.00 N ATOM 0 H ASN A 53 7.660 -1.490 5.994 1.00 0.00 H new ATOM 0 HA ASN A 53 7.750 -2.109 3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.216 -0.414 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.930 -1.618 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.368 -2.435 2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.960 -2.227 4.516 1.00 0.00 H new ATOM 921 N ASP A 54 8.214 -4.517 5.227 1.00 0.00 N ATOM 922 CA ASP A 54 8.508 -5.942 5.318 1.00 0.00 C ATOM 923 C ASP A 54 7.596 -6.708 4.366 1.00 0.00 C ATOM 924 O ASP A 54 7.965 -7.754 3.831 1.00 0.00 O ATOM 925 CB ASP A 54 8.292 -6.439 6.750 1.00 0.00 C ATOM 926 CG ASP A 54 9.035 -7.753 6.965 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.615 -7.917 8.026 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.015 -8.577 6.066 1.00 0.00 O ATOM 0 H ASP A 54 7.703 -4.132 6.022 1.00 0.00 H new ATOM 0 HA ASP A 54 9.549 -6.109 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.646 -5.692 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.228 -6.579 6.938 1.00 0.00 H new ATOM 933 N ASN A 55 6.403 -6.159 4.160 1.00 0.00 N ATOM 934 CA ASN A 55 5.421 -6.766 3.268 1.00 0.00 C ATOM 935 C ASN A 55 4.407 -5.717 2.817 1.00 0.00 C ATOM 936 O ASN A 55 3.306 -5.631 3.359 1.00 0.00 O ATOM 937 CB ASN A 55 4.698 -7.909 3.986 1.00 0.00 C ATOM 938 CG ASN A 55 3.996 -8.802 2.968 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.650 -9.437 2.141 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.693 -8.890 2.980 1.00 0.00 N ATOM 0 H ASN A 55 6.092 -5.293 4.600 1.00 0.00 H new ATOM 0 HA ASN A 55 5.937 -7.163 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.412 -8.495 4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.971 -7.505 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.216 -9.486 2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.153 -8.363 3.666 1.00 0.00 H new ATOM 947 N SER A 56 4.795 -4.913 1.829 1.00 0.00 N ATOM 948 CA SER A 56 3.922 -3.861 1.316 1.00 0.00 C ATOM 949 C SER A 56 3.388 -4.217 -0.065 1.00 0.00 C ATOM 950 O SER A 56 3.587 -3.477 -1.029 1.00 0.00 O ATOM 951 CB SER A 56 4.692 -2.542 1.238 1.00 0.00 C ATOM 952 OG SER A 56 3.996 -1.640 0.387 1.00 0.00 O ATOM 0 H SER A 56 5.704 -4.970 1.370 1.00 0.00 H new ATOM 0 HA SER A 56 3.078 -3.758 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.799 -2.111 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.698 -2.717 0.856 1.00 0.00 H new ATOM 0 HG SER A 56 4.123 -1.907 -0.547 1.00 0.00 H new ATOM 958 N GLU A 57 2.703 -5.349 -0.154 1.00 0.00 N ATOM 959 CA GLU A 57 2.134 -5.787 -1.424 1.00 0.00 C ATOM 960 C GLU A 57 0.927 -4.928 -1.787 1.00 0.00 C ATOM 961 O GLU A 57 -0.011 -5.401 -2.424 1.00 0.00 O ATOM 962 CB GLU A 57 1.714 -7.255 -1.327 1.00 0.00 C ATOM 963 CG GLU A 57 2.956 -8.150 -1.385 1.00 0.00 C ATOM 964 CD GLU A 57 3.976 -7.699 -0.345 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.570 -7.420 0.771 1.00 0.00 O ATOM 966 OE2 GLU A 57 5.147 -7.638 -0.681 1.00 0.00 O ATOM 0 H GLU A 57 2.528 -5.977 0.630 1.00 0.00 H new ATOM 0 HA GLU A 57 2.890 -5.680 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.172 -7.428 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.035 -7.504 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.675 -9.187 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.398 -8.108 -2.381 1.00 0.00 H new ATOM 973 N ILE A 58 0.959 -3.665 -1.373 1.00 0.00 N ATOM 974 CA ILE A 58 -0.140 -2.750 -1.658 1.00 0.00 C ATOM 975 C ILE A 58 -0.398 -2.662 -3.160 1.00 0.00 C ATOM 976 O ILE A 58 -1.480 -2.260 -3.588 1.00 0.00 O ATOM 977 CB ILE A 58 0.174 -1.362 -1.093 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.273 -1.454 0.433 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.940 -0.386 -1.476 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.700 -0.101 1.005 1.00 0.00 C ATOM 0 H ILE A 58 1.728 -3.255 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.041 -3.134 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 58 1.119 -1.005 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.689 -1.750 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.993 -2.222 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.714 0.601 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.014 -0.326 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.888 -0.737 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.769 -0.170 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.672 0.176 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.036 0.656 0.736 1.00 0.00 H new ATOM 992 N ILE A 59 0.592 -3.054 -3.958 1.00 0.00 N ATOM 993 CA ILE A 59 0.440 -3.027 -5.410 1.00 0.00 C ATOM 994 C ILE A 59 -0.605 -4.062 -5.829 1.00 0.00 C ATOM 995 O ILE A 59 -0.922 -4.214 -7.008 1.00 0.00 O ATOM 996 CB ILE A 59 1.789 -3.315 -6.079 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.582 -3.620 -7.569 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.451 -4.514 -5.398 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.899 -3.416 -8.323 1.00 0.00 C ATOM 0 H ILE A 59 1.497 -3.390 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 59 0.104 -2.040 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 59 2.430 -2.439 -5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.234 -4.645 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.811 -2.968 -7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.410 -4.719 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.609 -4.291 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.806 -5.388 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.750 -3.633 -9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.228 -2.383 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.657 -4.086 -7.918 1.00 0.00 H new ATOM 1011 N HIS A 60 -1.139 -4.753 -4.828 1.00 0.00 N ATOM 1012 CA HIS A 60 -2.166 -5.772 -5.029 1.00 0.00 C ATOM 1013 C HIS A 60 -3.529 -5.138 -5.303 1.00 0.00 C ATOM 1014 O HIS A 60 -4.391 -5.765 -5.920 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.267 -6.640 -3.768 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.197 -7.698 -3.790 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -1.219 -8.786 -2.931 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.071 -7.852 -4.560 1.00 0.00 C ATOM 1019 CE1 HIS A 60 -0.139 -9.540 -3.203 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.595 -9.017 -4.188 1.00 0.00 N ATOM 0 H HIS A 60 -0.872 -4.623 -3.852 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.884 -6.376 -5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.159 -6.019 -2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.251 -7.106 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.250 -7.173 -5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.105 -10.457 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.458 -9.390 -4.583 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.734 -3.909 -4.838 1.00 0.00 N ATOM 1030 CA LEU A 61 -5.016 -3.232 -5.039 1.00 0.00 C ATOM 1031 C LEU A 61 -4.822 -1.907 -5.771 1.00 0.00 C ATOM 1032 O LEU A 61 -5.614 -1.547 -6.641 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.692 -2.988 -3.682 1.00 0.00 C ATOM 1034 CG LEU A 61 -5.032 -3.862 -2.607 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.683 -3.255 -2.184 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.961 -3.953 -1.394 1.00 0.00 C ATOM 0 H LEU A 61 -3.040 -3.365 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.653 -3.871 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.610 -1.936 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.755 -3.218 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.855 -4.859 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.224 -3.884 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.023 -3.195 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.844 -2.255 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.498 -4.573 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.138 -2.954 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.910 -4.397 -1.695 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.767 -1.189 -5.413 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.480 0.093 -6.043 1.00 0.00 C ATOM 1050 C ALA A 62 -3.542 -0.021 -7.564 1.00 0.00 C ATOM 1051 O ALA A 62 -3.868 0.945 -8.253 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.088 0.572 -5.632 1.00 0.00 C ATOM 0 H ALA A 62 -3.099 -1.469 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.232 0.810 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.879 1.531 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.048 0.686 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.344 -0.159 -5.948 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.208 -1.199 -8.084 1.00 0.00 N ATOM 1059 CA GLU A 63 -3.210 -1.411 -9.527 1.00 0.00 C ATOM 1060 C GLU A 63 -4.631 -1.447 -10.082 1.00 0.00 C ATOM 1061 O GLU A 63 -4.908 -2.158 -11.047 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.496 -2.720 -9.860 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.134 -3.856 -9.060 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.514 -5.190 -9.461 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -2.195 -5.964 -8.574 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -2.366 -5.418 -10.651 1.00 0.00 O ATOM 0 H GLU A 63 -2.935 -2.013 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.685 -0.576 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.567 -2.926 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.435 -2.641 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.991 -3.685 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.209 -3.878 -9.238 1.00 0.00 H new ATOM 1073 N SER A 64 -5.528 -0.672 -9.474 1.00 0.00 N ATOM 1074 CA SER A 64 -6.916 -0.625 -9.930 1.00 0.00 C ATOM 1075 C SER A 64 -7.371 0.821 -10.109 1.00 0.00 C ATOM 1076 O SER A 64 -7.982 1.167 -11.120 1.00 0.00 O ATOM 1077 CB SER A 64 -7.826 -1.334 -8.928 1.00 0.00 C ATOM 1078 OG SER A 64 -7.275 -2.606 -8.611 1.00 0.00 O ATOM 0 H SER A 64 -5.322 -0.074 -8.673 1.00 0.00 H new ATOM 0 HA SER A 64 -6.979 -1.135 -10.891 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.928 -0.734 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.825 -1.452 -9.347 1.00 0.00 H new ATOM 0 HG SER A 64 -6.625 -2.509 -7.884 1.00 0.00 H new ATOM 1084 N LEU A 65 -7.067 1.663 -9.127 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.447 3.069 -9.197 1.00 0.00 C ATOM 1086 C LEU A 65 -6.798 3.718 -10.424 1.00 0.00 C ATOM 1087 O LEU A 65 -7.299 4.706 -10.962 1.00 0.00 O ATOM 1088 CB LEU A 65 -7.013 3.782 -7.902 1.00 0.00 C ATOM 1089 CG LEU A 65 -8.143 4.674 -7.357 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.484 5.775 -8.367 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -9.394 3.825 -7.072 1.00 0.00 C ATOM 0 H LEU A 65 -6.563 1.400 -8.280 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.529 3.156 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.735 3.042 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.128 4.388 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.805 5.137 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.285 6.399 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.602 6.389 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.809 5.322 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.188 4.465 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.728 3.348 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.154 3.060 -6.334 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.697 3.123 -10.877 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.985 3.601 -12.062 1.00 0.00 C ATOM 1105 C TYR A 66 -3.742 2.750 -12.300 1.00 0.00 C ATOM 1106 O TYR A 66 -2.795 2.779 -11.517 1.00 0.00 O ATOM 1107 CB TYR A 66 -4.594 5.084 -11.938 1.00 0.00 C ATOM 1108 CG TYR A 66 -3.919 5.358 -10.614 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.537 5.180 -10.475 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -4.678 5.803 -9.528 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -1.918 5.445 -9.247 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -4.061 6.067 -8.300 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.680 5.887 -8.159 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.070 6.146 -6.948 1.00 0.00 O ATOM 0 H TYR A 66 -5.276 2.304 -10.439 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.660 3.509 -12.913 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.925 5.357 -12.754 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.483 5.707 -12.033 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.949 4.839 -11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.743 5.943 -9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.852 5.308 -9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.650 6.409 -7.462 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.742 6.445 -6.301 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.764 1.981 -13.384 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.645 1.111 -13.719 1.00 0.00 C ATOM 1126 C GLU A 67 -1.354 1.915 -13.839 1.00 0.00 C ATOM 1127 O GLU A 67 -1.381 3.142 -13.938 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.935 0.383 -15.040 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.565 -1.096 -14.908 1.00 0.00 C ATOM 1130 CD GLU A 67 -2.779 -1.807 -16.240 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -3.218 -2.946 -16.217 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -2.501 -1.203 -17.263 1.00 0.00 O ATOM 0 H GLU A 67 -4.542 1.943 -14.043 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.520 0.379 -12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.990 0.482 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.366 0.839 -15.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.525 -1.193 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.174 -1.564 -14.134 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.224 1.211 -13.831 1.00 0.00 N ATOM 1140 CA GLY A 68 1.078 1.863 -13.940 1.00 0.00 C ATOM 1141 C GLY A 68 1.849 1.768 -12.627 1.00 0.00 C ATOM 1142 O GLY A 68 2.974 2.257 -12.523 1.00 0.00 O ATOM 0 H GLY A 68 -0.184 0.195 -13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.655 1.398 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.943 2.910 -14.211 1.00 0.00 H new ATOM 1146 N ILE A 69 1.238 1.139 -11.626 1.00 0.00 N ATOM 1147 CA ILE A 69 1.887 0.993 -10.328 1.00 0.00 C ATOM 1148 C ILE A 69 3.116 0.097 -10.441 1.00 0.00 C ATOM 1149 O ILE A 69 3.038 -1.023 -10.945 1.00 0.00 O ATOM 1150 CB ILE A 69 0.919 0.385 -9.307 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.409 1.160 -9.305 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.550 0.432 -7.913 1.00 0.00 C ATOM 1153 CD1 ILE A 69 -0.260 2.491 -8.561 1.00 0.00 C ATOM 0 H ILE A 69 0.307 0.728 -11.687 1.00 0.00 H new ATOM 0 HA ILE A 69 2.191 1.985 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 69 0.719 -0.651 -9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.729 1.345 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.186 0.559 -8.832 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.861 -0.000 -7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.480 -0.137 -7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.759 1.467 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.212 3.023 -8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.037 2.300 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.501 3.099 -9.051 1.00 0.00 H new ATOM 1165 N LYS A 70 4.246 0.596 -9.953 1.00 0.00 N ATOM 1166 CA LYS A 70 5.489 -0.167 -9.986 1.00 0.00 C ATOM 1167 C LYS A 70 5.739 -0.797 -8.622 1.00 0.00 C ATOM 1168 O LYS A 70 6.337 -1.868 -8.518 1.00 0.00 O ATOM 1169 CB LYS A 70 6.658 0.758 -10.347 1.00 0.00 C ATOM 1170 CG LYS A 70 7.872 -0.068 -10.813 1.00 0.00 C ATOM 1171 CD LYS A 70 8.828 -0.317 -9.637 1.00 0.00 C ATOM 1172 CE LYS A 70 9.793 0.862 -9.495 1.00 0.00 C ATOM 1173 NZ LYS A 70 10.861 0.756 -10.529 1.00 0.00 N ATOM 0 H LYS A 70 4.328 1.521 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 70 5.407 -0.952 -10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.355 1.447 -11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.932 1.363 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.537 -1.019 -11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.395 0.459 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.260 -0.447 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.387 -1.239 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.254 1.803 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.235 0.866 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.646 1.393 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.209 -0.223 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.474 1.024 -11.456 1.00 0.00 H new ATOM 1187 N SER A 71 5.273 -0.116 -7.580 1.00 0.00 N ATOM 1188 CA SER A 71 5.441 -0.600 -6.217 1.00 0.00 C ATOM 1189 C SER A 71 4.953 0.449 -5.221 1.00 0.00 C ATOM 1190 O SER A 71 4.364 1.460 -5.608 1.00 0.00 O ATOM 1191 CB SER A 71 6.916 -0.914 -5.956 1.00 0.00 C ATOM 1192 OG SER A 71 7.162 -0.917 -4.557 1.00 0.00 O ATOM 0 H SER A 71 4.777 0.772 -7.655 1.00 0.00 H new ATOM 0 HA SER A 71 4.851 -1.508 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.173 -1.884 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.548 -0.173 -6.445 1.00 0.00 H new ATOM 0 HG SER A 71 7.004 -1.815 -4.199 1.00 0.00 H new ATOM 1198 N VAL A 72 5.209 0.208 -3.941 1.00 0.00 N ATOM 1199 CA VAL A 72 4.804 1.138 -2.889 1.00 0.00 C ATOM 1200 C VAL A 72 5.818 1.105 -1.751 1.00 0.00 C ATOM 1201 O VAL A 72 6.403 0.062 -1.462 1.00 0.00 O ATOM 1202 CB VAL A 72 3.413 0.769 -2.367 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.908 1.868 -1.430 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.449 0.620 -3.547 1.00 0.00 C ATOM 0 H VAL A 72 5.695 -0.623 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 72 4.766 2.146 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 72 3.469 -0.173 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.918 1.604 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.594 1.973 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.852 2.812 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.458 0.357 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.394 1.562 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.807 -0.165 -4.213 1.00 0.00 H new ATOM 1214 N ASN A 73 6.037 2.257 -1.118 1.00 0.00 N ATOM 1215 CA ASN A 73 7.005 2.335 -0.028 1.00 0.00 C ATOM 1216 C ASN A 73 6.823 3.599 0.812 1.00 0.00 C ATOM 1217 O ASN A 73 6.260 4.599 0.364 1.00 0.00 O ATOM 1218 CB ASN A 73 8.423 2.308 -0.599 1.00 0.00 C ATOM 1219 CG ASN A 73 9.429 2.026 0.513 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.196 1.162 1.359 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.541 2.707 0.562 1.00 0.00 N ATOM 0 H ASN A 73 5.566 3.135 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 73 6.840 1.475 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.498 1.542 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.651 3.263 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.219 2.524 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.732 3.422 -0.140 1.00 0.00 H new ATOM 1228 N PHE A 74 7.321 3.524 2.042 1.00 0.00 N ATOM 1229 CA PHE A 74 7.245 4.631 2.990 1.00 0.00 C ATOM 1230 C PHE A 74 8.559 4.708 3.763 1.00 0.00 C ATOM 1231 O PHE A 74 9.167 3.680 4.061 1.00 0.00 O ATOM 1232 CB PHE A 74 6.072 4.417 3.966 1.00 0.00 C ATOM 1233 CG PHE A 74 5.250 3.226 3.519 1.00 0.00 C ATOM 1234 CD1 PHE A 74 3.894 3.384 3.202 1.00 0.00 C ATOM 1235 CD2 PHE A 74 5.847 1.965 3.417 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.141 2.281 2.782 1.00 0.00 C ATOM 1237 CE2 PHE A 74 5.095 0.864 2.998 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.741 1.021 2.680 1.00 0.00 C ATOM 0 H PHE A 74 7.788 2.695 2.410 1.00 0.00 H new ATOM 0 HA PHE A 74 7.078 5.563 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.451 4.252 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.448 5.310 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.430 4.356 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.891 1.842 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.096 2.403 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.559 -0.108 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.160 0.170 2.356 1.00 0.00 H new ATOM 1248 N VAL A 75 9.004 5.920 4.075 1.00 0.00 N ATOM 1249 CA VAL A 75 10.263 6.082 4.800 1.00 0.00 C ATOM 1250 C VAL A 75 10.223 7.311 5.702 1.00 0.00 C ATOM 1251 O VAL A 75 9.153 7.815 6.027 1.00 0.00 O ATOM 1252 CB VAL A 75 11.416 6.211 3.805 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.476 4.960 2.925 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.186 7.442 2.925 1.00 0.00 C ATOM 0 H VAL A 75 8.525 6.790 3.844 1.00 0.00 H new ATOM 0 HA VAL A 75 10.413 5.203 5.427 1.00 0.00 H new ATOM 0 HB VAL A 75 12.356 6.317 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.299 5.053 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.634 4.082 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.538 4.853 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.006 7.539 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.246 7.332 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.142 8.333 3.551 1.00 0.00 H new ATOM 1264 N ASN A 76 11.400 7.784 6.109 1.00 0.00 N ATOM 1265 CA ASN A 76 11.485 8.952 6.981 1.00 0.00 C ATOM 1266 C ASN A 76 11.688 10.229 6.168 1.00 0.00 C ATOM 1267 O ASN A 76 12.075 10.182 5.001 1.00 0.00 O ATOM 1268 CB ASN A 76 12.644 8.787 7.969 1.00 0.00 C ATOM 1269 CG ASN A 76 12.777 7.325 8.380 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.109 6.474 7.555 1.00 0.00 O ATOM 1271 ND2 ASN A 76 12.538 6.980 9.616 1.00 0.00 N ATOM 0 H ASN A 76 12.300 7.380 5.851 1.00 0.00 H new ATOM 0 HA ASN A 76 10.546 9.033 7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.573 9.131 7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.473 9.406 8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.626 6.004 9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.263 7.686 10.299 1.00 0.00 H new ATOM 1278 N GLU A 77 11.409 11.364 6.798 1.00 0.00 N ATOM 1279 CA GLU A 77 11.544 12.659 6.142 1.00 0.00 C ATOM 1280 C GLU A 77 12.749 12.691 5.206 1.00 0.00 C ATOM 1281 O GLU A 77 12.594 12.722 3.986 1.00 0.00 O ATOM 1282 CB GLU A 77 11.687 13.760 7.194 1.00 0.00 C ATOM 1283 CG GLU A 77 10.400 13.851 8.018 1.00 0.00 C ATOM 1284 CD GLU A 77 10.380 15.153 8.812 1.00 0.00 C ATOM 1285 OE1 GLU A 77 9.570 16.006 8.492 1.00 0.00 O ATOM 1286 OE2 GLU A 77 11.177 15.276 9.727 1.00 0.00 O ATOM 0 H GLU A 77 11.087 11.414 7.765 1.00 0.00 H new ATOM 0 HA GLU A 77 10.647 12.826 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.534 13.547 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.890 14.715 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.533 13.804 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.332 13.001 8.696 1.00 0.00 H new ATOM 1293 N GLN A 78 13.945 12.697 5.782 1.00 0.00 N ATOM 1294 CA GLN A 78 15.163 12.743 4.980 1.00 0.00 C ATOM 1295 C GLN A 78 15.116 11.699 3.873 1.00 0.00 C ATOM 1296 O GLN A 78 15.311 12.017 2.700 1.00 0.00 O ATOM 1297 CB GLN A 78 16.387 12.499 5.866 1.00 0.00 C ATOM 1298 CG GLN A 78 16.609 13.708 6.777 1.00 0.00 C ATOM 1299 CD GLN A 78 17.768 13.437 7.729 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.799 12.903 7.318 1.00 0.00 O ATOM 1301 NE2 GLN A 78 17.662 13.775 8.985 1.00 0.00 N ATOM 0 H GLN A 78 14.098 12.671 6.790 1.00 0.00 H new ATOM 0 HA GLN A 78 15.237 13.732 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.241 11.601 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.269 12.330 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.820 14.593 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.702 13.917 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.808 14.217 9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.434 13.597 9.628 1.00 0.00 H new ATOM 1310 N ASP A 79 14.857 10.455 4.250 1.00 0.00 N ATOM 1311 CA ASP A 79 14.788 9.378 3.270 1.00 0.00 C ATOM 1312 C ASP A 79 13.869 9.772 2.117 1.00 0.00 C ATOM 1313 O ASP A 79 14.316 9.928 0.978 1.00 0.00 O ATOM 1314 CB ASP A 79 14.274 8.099 3.931 1.00 0.00 C ATOM 1315 CG ASP A 79 15.345 7.519 4.848 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.542 6.315 4.809 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.954 8.286 5.575 1.00 0.00 O ATOM 0 H ASP A 79 14.693 10.167 5.215 1.00 0.00 H new ATOM 0 HA ASP A 79 15.789 9.198 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.371 8.313 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.003 7.369 3.168 1.00 0.00 H new ATOM 1322 N PHE A 80 12.582 9.943 2.417 1.00 0.00 N ATOM 1323 CA PHE A 80 11.612 10.330 1.398 1.00 0.00 C ATOM 1324 C PHE A 80 12.206 11.409 0.496 1.00 0.00 C ATOM 1325 O PHE A 80 12.136 11.316 -0.730 1.00 0.00 O ATOM 1326 CB PHE A 80 10.338 10.856 2.072 1.00 0.00 C ATOM 1327 CG PHE A 80 9.531 11.681 1.094 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.469 11.097 0.393 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.844 13.031 0.890 1.00 0.00 C ATOM 1330 CE1 PHE A 80 7.720 11.861 -0.508 1.00 0.00 C ATOM 1331 CE2 PHE A 80 9.095 13.795 -0.012 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.034 13.210 -0.711 1.00 0.00 C ATOM 0 H PHE A 80 12.191 9.820 3.351 1.00 0.00 H new ATOM 0 HA PHE A 80 11.364 9.459 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.739 10.021 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.600 11.461 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.228 10.056 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.664 13.482 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.900 11.410 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.336 14.836 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.457 13.799 -1.408 1.00 0.00 H new ATOM 1342 N PHE A 81 12.793 12.427 1.115 1.00 0.00 N ATOM 1343 CA PHE A 81 13.399 13.513 0.360 1.00 0.00 C ATOM 1344 C PHE A 81 14.444 12.965 -0.604 1.00 0.00 C ATOM 1345 O PHE A 81 14.275 13.036 -1.819 1.00 0.00 O ATOM 1346 CB PHE A 81 14.050 14.521 1.315 1.00 0.00 C ATOM 1347 CG PHE A 81 13.922 15.911 0.733 1.00 0.00 C ATOM 1348 CD1 PHE A 81 12.667 16.528 0.673 1.00 0.00 C ATOM 1349 CD2 PHE A 81 15.054 16.578 0.249 1.00 0.00 C ATOM 1350 CE1 PHE A 81 12.542 17.811 0.128 1.00 0.00 C ATOM 1351 CE2 PHE A 81 14.929 17.862 -0.296 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.673 18.479 -0.357 1.00 0.00 C ATOM 0 H PHE A 81 12.861 12.522 2.128 1.00 0.00 H new ATOM 0 HA PHE A 81 12.620 14.017 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.569 14.477 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.100 14.272 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.794 16.014 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 81 16.023 16.103 0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.573 18.286 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.802 18.377 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.577 19.469 -0.778 1.00 0.00 H new ATOM 1362 N PHE A 82 15.525 12.421 -0.047 1.00 0.00 N ATOM 1363 CA PHE A 82 16.605 11.856 -0.854 1.00 0.00 C ATOM 1364 C PHE A 82 16.076 11.323 -2.183 1.00 0.00 C ATOM 1365 O PHE A 82 16.701 11.503 -3.228 1.00 0.00 O ATOM 1366 CB PHE A 82 17.288 10.725 -0.085 1.00 0.00 C ATOM 1367 CG PHE A 82 18.512 10.268 -0.840 1.00 0.00 C ATOM 1368 CD1 PHE A 82 18.396 9.295 -1.839 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.765 10.818 -0.540 1.00 0.00 C ATOM 1370 CE1 PHE A 82 19.531 8.870 -2.539 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.900 10.393 -1.240 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.784 9.420 -2.240 1.00 0.00 C ATOM 0 H PHE A 82 15.676 12.360 0.960 1.00 0.00 H new ATOM 0 HA PHE A 82 17.325 12.648 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.569 11.067 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.597 9.892 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 82 17.430 8.872 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 82 19.855 11.569 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 82 19.441 8.118 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 82 21.866 10.816 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.660 9.094 -2.781 1.00 0.00 H new ATOM 1382 N ASN A 83 14.916 10.674 -2.137 1.00 0.00 N ATOM 1383 CA ASN A 83 14.313 10.130 -3.348 1.00 0.00 C ATOM 1384 C ASN A 83 13.727 11.259 -4.195 1.00 0.00 C ATOM 1385 O ASN A 83 13.985 11.347 -5.395 1.00 0.00 O ATOM 1386 CB ASN A 83 13.214 9.123 -2.977 1.00 0.00 C ATOM 1387 CG ASN A 83 13.624 7.711 -3.390 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.759 7.427 -4.582 1.00 0.00 O ATOM 1389 ND2 ASN A 83 13.831 6.807 -2.473 1.00 0.00 N ATOM 0 H ASN A 83 14.380 10.513 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 83 15.081 9.619 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.030 9.156 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.281 9.396 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.105 5.862 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.719 7.045 -1.488 1.00 0.00 H new ATOM 1396 N LEU A 84 12.941 12.119 -3.557 1.00 0.00 N ATOM 1397 CA LEU A 84 12.321 13.243 -4.250 1.00 0.00 C ATOM 1398 C LEU A 84 13.358 14.328 -4.529 1.00 0.00 C ATOM 1399 O LEU A 84 13.151 15.194 -5.379 1.00 0.00 O ATOM 1400 CB LEU A 84 11.187 13.814 -3.388 1.00 0.00 C ATOM 1401 CG LEU A 84 10.635 15.099 -4.016 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.160 14.816 -5.445 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.452 15.599 -3.182 1.00 0.00 C ATOM 0 H LEU A 84 12.718 12.060 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 84 11.915 12.896 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.389 13.077 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.554 14.021 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 84 11.420 15.855 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.769 15.733 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.997 14.454 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.376 14.059 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.056 16.513 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.673 14.837 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.785 15.803 -2.164 1.00 0.00 H new ATOM 1415 N ALA A 85 14.473 14.276 -3.812 1.00 0.00 N ATOM 1416 CA ALA A 85 15.527 15.262 -3.997 1.00 0.00 C ATOM 1417 C ALA A 85 16.288 14.998 -5.292 1.00 0.00 C ATOM 1418 O ALA A 85 16.969 15.880 -5.815 1.00 0.00 O ATOM 1419 CB ALA A 85 16.496 15.226 -2.812 1.00 0.00 C ATOM 0 H ALA A 85 14.669 13.569 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 85 15.067 16.249 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.281 15.968 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.955 15.450 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.943 14.235 -2.738 1.00 0.00 H new ATOM 1425 N LYS A 86 16.169 13.776 -5.801 1.00 0.00 N ATOM 1426 CA LYS A 86 16.851 13.400 -7.034 1.00 0.00 C ATOM 1427 C LYS A 86 16.333 14.224 -8.209 1.00 0.00 C ATOM 1428 O LYS A 86 17.077 14.996 -8.814 1.00 0.00 O ATOM 1429 CB LYS A 86 16.636 11.910 -7.316 1.00 0.00 C ATOM 1430 CG LYS A 86 17.351 11.513 -8.622 1.00 0.00 C ATOM 1431 CD LYS A 86 16.324 11.087 -9.678 1.00 0.00 C ATOM 1432 CE LYS A 86 15.830 9.671 -9.373 1.00 0.00 C ATOM 1433 NZ LYS A 86 16.873 8.685 -9.776 1.00 0.00 N ATOM 0 H LYS A 86 15.610 13.033 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 86 17.916 13.597 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.019 11.315 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.570 11.696 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.939 12.352 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.047 10.696 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.485 11.782 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.773 11.120 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.611 9.571 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.902 9.475 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.444 7.741 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.279 8.964 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.624 8.661 -9.057 1.00 0.00 H new ATOM 1447 N LEU A 87 15.053 14.054 -8.529 1.00 0.00 N ATOM 1448 CA LEU A 87 14.446 14.786 -9.636 1.00 0.00 C ATOM 1449 C LEU A 87 14.934 16.231 -9.660 1.00 0.00 C ATOM 1450 O LEU A 87 15.957 16.540 -10.271 1.00 0.00 O ATOM 1451 CB LEU A 87 12.922 14.758 -9.500 1.00 0.00 C ATOM 1452 CG LEU A 87 12.418 13.319 -9.680 1.00 0.00 C ATOM 1453 CD1 LEU A 87 11.142 13.116 -8.861 1.00 0.00 C ATOM 1454 CD2 LEU A 87 12.116 13.062 -11.160 1.00 0.00 C ATOM 0 H LEU A 87 14.420 13.420 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 87 14.738 14.306 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.627 15.138 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.468 15.410 -10.246 1.00 0.00 H new ATOM 0 HG LEU A 87 13.185 12.624 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.786 12.094 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.354 13.296 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.376 13.813 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.758 12.040 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.351 13.759 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.024 13.204 -11.747 1.00 0.00 H new ATOM 1466 N GLU A 88 14.194 17.113 -8.994 1.00 0.00 N ATOM 1467 CA GLU A 88 14.562 18.525 -8.947 1.00 0.00 C ATOM 1468 C GLU A 88 15.490 18.800 -7.769 1.00 0.00 C ATOM 1469 O GLU A 88 15.934 17.875 -7.088 1.00 0.00 O ATOM 1470 CB GLU A 88 13.304 19.386 -8.816 1.00 0.00 C ATOM 1471 CG GLU A 88 12.403 19.162 -10.032 1.00 0.00 C ATOM 1472 CD GLU A 88 11.310 20.225 -10.072 1.00 0.00 C ATOM 1473 OE1 GLU A 88 11.045 20.733 -11.149 1.00 0.00 O ATOM 1474 OE2 GLU A 88 10.753 20.513 -9.026 1.00 0.00 O ATOM 0 H GLU A 88 13.343 16.878 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 88 15.083 18.776 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.769 19.130 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.577 20.439 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.995 19.202 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.955 18.169 -9.986 1.00 0.00 H new ATOM 1481 N GLU A 89 15.779 20.077 -7.536 1.00 0.00 N ATOM 1482 CA GLU A 89 16.654 20.469 -6.437 1.00 0.00 C ATOM 1483 C GLU A 89 18.055 19.897 -6.633 1.00 0.00 C ATOM 1484 O GLU A 89 18.364 18.807 -6.152 1.00 0.00 O ATOM 1485 CB GLU A 89 16.082 19.977 -5.106 1.00 0.00 C ATOM 1486 CG GLU A 89 14.594 20.326 -5.029 1.00 0.00 C ATOM 1487 CD GLU A 89 14.006 19.814 -3.718 1.00 0.00 C ATOM 1488 OE1 GLU A 89 13.516 20.629 -2.954 1.00 0.00 O ATOM 1489 OE2 GLU A 89 14.056 18.615 -3.497 1.00 0.00 O ATOM 0 H GLU A 89 15.422 20.855 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 89 16.717 21.557 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.219 18.899 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.618 20.437 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.461 21.406 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.064 19.883 -5.872 1.00 0.00 H new ATOM 1496 N ASN A 90 18.898 20.642 -7.341 1.00 0.00 N ATOM 1497 CA ASN A 90 20.265 20.202 -7.593 1.00 0.00 C ATOM 1498 C ASN A 90 20.272 18.876 -8.348 1.00 0.00 C ATOM 1499 O ASN A 90 19.235 18.417 -8.825 1.00 0.00 O ATOM 1500 CB ASN A 90 21.013 20.044 -6.268 1.00 0.00 C ATOM 1501 CG ASN A 90 22.518 20.007 -6.517 1.00 0.00 C ATOM 1502 OD1 ASN A 90 23.195 19.071 -6.092 1.00 0.00 O ATOM 1503 ND2 ASN A 90 23.083 20.975 -7.185 1.00 0.00 N ATOM 0 H ASN A 90 18.661 21.547 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 90 20.763 20.955 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.767 20.871 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.696 19.128 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 90 24.088 20.957 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.519 21.749 -7.536 1.00 0.00 H new ATOM 1510 N SER A 91 21.449 18.266 -8.452 1.00 0.00 N ATOM 1511 CA SER A 91 21.580 16.994 -9.152 1.00 0.00 C ATOM 1512 C SER A 91 22.817 16.242 -8.669 1.00 0.00 C ATOM 1513 O SER A 91 23.735 15.974 -9.444 1.00 0.00 O ATOM 1514 CB SER A 91 21.684 17.235 -10.658 1.00 0.00 C ATOM 1515 OG SER A 91 22.660 18.239 -10.907 1.00 0.00 O ATOM 0 H SER A 91 22.319 18.629 -8.063 1.00 0.00 H new ATOM 0 HA SER A 91 20.696 16.392 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 91 21.958 16.311 -11.168 1.00 0.00 H new ATOM 0 HB3 SER A 91 20.718 17.544 -11.056 1.00 0.00 H new ATOM 0 HG SER A 91 23.541 17.915 -10.626 1.00 0.00 H new ATOM 1521 N ARG A 92 22.833 15.904 -7.383 1.00 0.00 N ATOM 1522 CA ARG A 92 23.962 15.181 -6.805 1.00 0.00 C ATOM 1523 C ARG A 92 25.281 15.845 -7.190 1.00 0.00 C ATOM 1524 O ARG A 92 26.158 15.209 -7.773 1.00 0.00 O ATOM 1525 CB ARG A 92 23.958 13.731 -7.292 1.00 0.00 C ATOM 1526 CG ARG A 92 22.530 13.182 -7.258 1.00 0.00 C ATOM 1527 CD ARG A 92 22.548 11.686 -7.577 1.00 0.00 C ATOM 1528 NE ARG A 92 23.551 11.400 -8.599 1.00 0.00 N ATOM 1529 CZ ARG A 92 23.397 11.822 -9.850 1.00 0.00 C ATOM 1530 NH1 ARG A 92 22.336 12.505 -10.182 1.00 0.00 N ATOM 1531 NH2 ARG A 92 24.307 11.552 -10.745 1.00 0.00 N ATOM 0 H ARG A 92 22.083 16.117 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 92 23.863 15.201 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 92 24.355 13.676 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 92 24.607 13.123 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.089 13.349 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.909 13.711 -7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.766 11.117 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.564 11.369 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 92 24.384 10.867 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.625 12.715 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.218 12.829 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.136 11.017 -10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.190 11.875 -11.705 1.00 0.00 H new ATOM 1545 N ASP A 93 25.415 17.125 -6.858 1.00 0.00 N ATOM 1546 CA ASP A 93 26.634 17.861 -7.174 1.00 0.00 C ATOM 1547 C ASP A 93 26.762 19.093 -6.285 1.00 0.00 C ATOM 1548 O ASP A 93 26.031 20.070 -6.452 1.00 0.00 O ATOM 1549 CB ASP A 93 26.623 18.290 -8.643 1.00 0.00 C ATOM 1550 CG ASP A 93 26.704 17.064 -9.545 1.00 0.00 C ATOM 1551 OD1 ASP A 93 27.635 16.293 -9.382 1.00 0.00 O ATOM 1552 OD2 ASP A 93 25.834 16.914 -10.387 1.00 0.00 O ATOM 0 H ASP A 93 24.701 17.670 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 93 27.486 17.206 -6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 93 25.714 18.852 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 93 27.464 18.955 -8.843 1.00 0.00 H new ATOM 1557 N THR A 94 27.696 19.042 -5.341 1.00 0.00 N ATOM 1558 CA THR A 94 27.913 20.161 -4.431 1.00 0.00 C ATOM 1559 C THR A 94 28.866 21.179 -5.051 1.00 0.00 C ATOM 1560 O THR A 94 30.083 21.074 -4.905 1.00 0.00 O ATOM 1561 CB THR A 94 28.487 19.656 -3.102 1.00 0.00 C ATOM 1562 OG1 THR A 94 28.739 20.764 -2.249 1.00 0.00 O ATOM 1563 CG2 THR A 94 29.796 18.895 -3.349 1.00 0.00 C ATOM 0 H THR A 94 28.311 18.243 -5.186 1.00 0.00 H new ATOM 0 HA THR A 94 26.954 20.645 -4.247 1.00 0.00 H new ATOM 0 HB THR A 94 27.768 18.984 -2.634 1.00 0.00 H new ATOM 0 HG1 THR A 94 29.105 20.445 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 94 30.196 18.540 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 94 29.604 18.044 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 94 30.519 19.559 -3.822 1.00 0.00 H new ATOM 1571 N LEU A 95 28.302 22.161 -5.747 1.00 0.00 N ATOM 1572 CA LEU A 95 29.111 23.192 -6.388 1.00 0.00 C ATOM 1573 C LEU A 95 30.008 23.879 -5.362 1.00 0.00 C ATOM 1574 O LEU A 95 31.230 23.738 -5.399 1.00 0.00 O ATOM 1575 CB LEU A 95 28.204 24.230 -7.055 1.00 0.00 C ATOM 1576 CG LEU A 95 27.650 23.665 -8.366 1.00 0.00 C ATOM 1577 CD1 LEU A 95 26.796 22.428 -8.074 1.00 0.00 C ATOM 1578 CD2 LEU A 95 26.789 24.728 -9.053 1.00 0.00 C ATOM 0 H LEU A 95 27.296 22.265 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 95 29.737 22.720 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 95 27.385 24.494 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 95 28.764 25.145 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 95 28.477 23.386 -9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 26.403 22.028 -9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 95 27.408 21.671 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 95 25.968 22.703 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 95 26.393 24.328 -9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 95 25.963 25.006 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 95 27.397 25.608 -9.264 1.00 0.00 H new ATOM 1590 N TYR A 96 29.392 24.622 -4.448 1.00 0.00 N ATOM 1591 CA TYR A 96 30.144 25.325 -3.415 1.00 0.00 C ATOM 1592 C TYR A 96 29.242 25.651 -2.228 1.00 0.00 C ATOM 1593 O TYR A 96 28.335 26.476 -2.333 1.00 0.00 O ATOM 1594 CB TYR A 96 30.731 26.622 -3.987 1.00 0.00 C ATOM 1595 CG TYR A 96 31.947 27.028 -3.185 1.00 0.00 C ATOM 1596 CD1 TYR A 96 33.225 26.940 -3.755 1.00 0.00 C ATOM 1597 CD2 TYR A 96 31.797 27.494 -1.873 1.00 0.00 C ATOM 1598 CE1 TYR A 96 34.350 27.317 -3.013 1.00 0.00 C ATOM 1599 CE2 TYR A 96 32.924 27.872 -1.131 1.00 0.00 C ATOM 1600 CZ TYR A 96 34.199 27.782 -1.701 1.00 0.00 C ATOM 1601 OH TYR A 96 35.309 28.154 -0.970 1.00 0.00 O ATOM 0 H TYR A 96 28.381 24.752 -4.401 1.00 0.00 H new ATOM 0 HA TYR A 96 30.954 24.680 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 96 31.004 26.479 -5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 96 29.983 27.415 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 96 33.341 26.581 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 96 30.813 27.562 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 96 35.334 27.249 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 96 32.809 28.233 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 96 35.029 28.454 -0.080 1.00 0.00 H new ATOM 1611 N GLN A 97 29.498 24.997 -1.099 1.00 0.00 N ATOM 1612 CA GLN A 97 28.701 25.226 0.101 1.00 0.00 C ATOM 1613 C GLN A 97 29.420 24.684 1.332 1.00 0.00 C ATOM 1614 O GLN A 97 28.979 24.890 2.462 1.00 0.00 O ATOM 1615 CB GLN A 97 27.336 24.544 -0.044 1.00 0.00 C ATOM 1616 CG GLN A 97 26.507 24.756 1.230 1.00 0.00 C ATOM 1617 CD GLN A 97 26.751 23.616 2.214 1.00 0.00 C ATOM 1618 OE1 GLN A 97 26.835 22.455 1.813 1.00 0.00 O ATOM 1619 NE2 GLN A 97 26.870 23.880 3.487 1.00 0.00 N ATOM 0 H GLN A 97 30.244 24.310 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 97 28.558 26.300 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 97 26.806 24.951 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 97 27.470 23.478 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 97 26.773 25.707 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 97 25.448 24.809 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 97 26.800 24.843 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 97 27.033 23.124 4.152 1.00 0.00 H new ATOM 1628 N ASN A 98 30.531 23.990 1.105 1.00 0.00 N ATOM 1629 CA ASN A 98 31.306 23.421 2.202 1.00 0.00 C ATOM 1630 C ASN A 98 31.647 24.490 3.237 1.00 0.00 C ATOM 1631 O ASN A 98 30.768 24.982 3.946 1.00 0.00 O ATOM 1632 CB ASN A 98 32.596 22.800 1.659 1.00 0.00 C ATOM 1633 CG ASN A 98 33.363 22.121 2.789 1.00 0.00 C ATOM 1634 OD1 ASN A 98 32.801 21.308 3.523 1.00 0.00 O ATOM 1635 ND2 ASN A 98 34.623 22.408 2.974 1.00 0.00 N ATOM 0 H ASN A 98 30.913 23.809 0.177 1.00 0.00 H new ATOM 0 HA ASN A 98 30.705 22.650 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 98 32.361 22.074 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 98 33.215 23.571 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 98 35.143 21.958 3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 98 35.087 23.082 2.365 1.00 0.00 H new ATOM 1642 N SER A 99 32.925 24.846 3.321 1.00 0.00 N ATOM 1643 CA SER A 99 33.363 25.857 4.278 1.00 0.00 C ATOM 1644 C SER A 99 34.814 26.247 4.020 1.00 0.00 C ATOM 1645 O SER A 99 35.235 26.384 2.872 1.00 0.00 O ATOM 1646 CB SER A 99 33.222 25.321 5.703 1.00 0.00 C ATOM 1647 OG SER A 99 33.374 26.391 6.625 1.00 0.00 O ATOM 0 H SER A 99 33.669 24.454 2.744 1.00 0.00 H new ATOM 0 HA SER A 99 32.736 26.740 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 99 32.247 24.851 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 99 33.973 24.554 5.891 1.00 0.00 H new ATOM 0 HG SER A 99 33.282 26.050 7.539 1.00 0.00 H new ATOM 1653 N GLY A 100 35.574 26.425 5.096 1.00 0.00 N ATOM 1654 CA GLY A 100 36.977 26.800 4.975 1.00 0.00 C ATOM 1655 C GLY A 100 37.118 28.199 4.385 1.00 0.00 C ATOM 1656 O GLY A 100 37.033 29.151 5.142 1.00 0.00 O ATOM 1657 OXT GLY A 100 37.311 28.298 3.184 1.00 0.00 O ATOM 0 H GLY A 100 35.244 26.316 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 100 37.453 26.765 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 100 37.497 26.080 4.342 1.00 0.00 H new TER 1661 GLY A 100