USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -104:sc= 0.361 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.0662 K(o=0.3,f=-0.57) USER MOD Set 2.1: A 10 TYR OH : rot 15:sc= 0.933 USER MOD Set 2.2: A 60 THR OG1 : rot -51:sc= 0.429 USER MOD Set 3.1: A 40 GLN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Set 3.2: A 47 MET CE :methyl -174:sc=-0.00314 (180deg=-0.0294) USER MOD Set 4.1: A 36 ASN : amide:sc= -0.0884 K(o=-0.26,f=-1.2) USER MOD Set 4.2: A 50 ASN :FLIP amide:sc= -0.171 F(o=-1.4,f=-0.26) USER MOD Set 5.1: A 16 HIS : no HD1:sc= -0.893 X(o=-2,f=-2.4) USER MOD Set 5.2: A 19 HIS : no HD1:sc= -1.13 K(o=-2,f=-3.3) USER MOD Set 6.1: A 3 HIS : no HE2:sc= -1.02 K(o=-0.83,f=-4.9!) USER MOD Set 6.2: A 4 MET CE :methyl 136:sc= -0.395 (180deg=-0.85) USER MOD Set 6.3: A 28 SER OG : rot 8:sc= 0.589 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 THR OG1 : rot -168:sc= 1.08 USER MOD Single : A 41 MET CE :methyl -133:sc= -0.161 (180deg=-0.316) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.24) USER MOD Single : A 45 THR OG1 : rot -40:sc= 1.27 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 68 SER OG : rot -167:sc= 0.00487 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.774 F(o=-0.012,f=0.77) USER MOD Single : A 83 GLN : amide:sc= 0.216 X(o=0.22,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 89 THR OG1 : rot 180:sc= 1.14 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 103 TYR OH : rot 90:sc= -0.0296 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.24) USER MOD Single : A 109 MET CE :methyl -130:sc= -3.26 (180deg=-7.49!) USER MOD Single : A 113 ASN : amide:sc= 1.69 K(o=1.7,f=-1) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -12.431 -5.725 6.716 1.00 0.00 N ATOM 20 CA HIS A 3 -11.933 -5.075 5.508 1.00 0.00 C ATOM 21 C HIS A 3 -11.810 -6.100 4.379 1.00 0.00 C ATOM 22 O HIS A 3 -12.028 -5.744 3.224 1.00 0.00 O ATOM 23 CB HIS A 3 -10.589 -4.378 5.780 1.00 0.00 C ATOM 24 CG HIS A 3 -9.500 -5.344 6.165 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.454 -6.063 7.335 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.482 -5.783 5.361 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.464 -6.953 7.221 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.831 -6.814 6.046 1.00 0.00 N ATOM 0 HA HIS A 3 -12.643 -4.308 5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.283 -3.828 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.719 -3.647 6.578 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.064 -5.940 8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.229 -5.404 4.382 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.208 -7.685 7.973 1.00 0.00 H new ATOM 36 N MET A 4 -11.523 -7.371 4.696 1.00 0.00 N ATOM 37 CA MET A 4 -11.309 -8.417 3.691 1.00 0.00 C ATOM 38 C MET A 4 -12.552 -8.773 2.885 1.00 0.00 C ATOM 39 O MET A 4 -12.443 -9.543 1.935 1.00 0.00 O ATOM 40 CB MET A 4 -10.717 -9.689 4.319 1.00 0.00 C ATOM 41 CG MET A 4 -9.397 -9.366 5.013 1.00 0.00 C ATOM 42 SD MET A 4 -8.074 -10.580 4.818 1.00 0.00 S ATOM 43 CE MET A 4 -6.831 -9.554 3.982 1.00 0.00 C ATOM 0 H MET A 4 -11.433 -7.701 5.657 1.00 0.00 H new ATOM 0 HA MET A 4 -10.594 -7.986 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.420 -10.111 5.037 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.557 -10.443 3.549 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.039 -8.407 4.639 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.592 -9.240 6.078 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.852 -9.735 4.426 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.802 -9.809 2.923 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.092 -8.502 4.095 1.00 0.00 H new ATOM 53 N GLU A 5 -13.714 -8.226 3.231 1.00 0.00 N ATOM 54 CA GLU A 5 -14.910 -8.317 2.415 1.00 0.00 C ATOM 55 C GLU A 5 -14.645 -7.581 1.103 1.00 0.00 C ATOM 56 O GLU A 5 -14.727 -8.151 0.016 1.00 0.00 O ATOM 57 CB GLU A 5 -16.095 -7.663 3.151 1.00 0.00 C ATOM 58 CG GLU A 5 -16.374 -8.195 4.560 1.00 0.00 C ATOM 59 CD GLU A 5 -17.232 -9.449 4.517 1.00 0.00 C ATOM 60 OE1 GLU A 5 -16.734 -10.516 4.105 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.409 -9.345 4.934 1.00 0.00 O ATOM 0 H GLU A 5 -13.848 -7.703 4.096 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.156 -9.361 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.911 -6.591 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.993 -7.796 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.431 -8.414 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.877 -7.427 5.148 1.00 0.00 H new ATOM 68 N VAL A 6 -14.296 -6.303 1.233 1.00 0.00 N ATOM 69 CA VAL A 6 -14.231 -5.326 0.162 1.00 0.00 C ATOM 70 C VAL A 6 -13.224 -5.769 -0.889 1.00 0.00 C ATOM 71 O VAL A 6 -13.489 -5.653 -2.083 1.00 0.00 O ATOM 72 CB VAL A 6 -13.871 -3.956 0.777 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.735 -2.862 -0.284 1.00 0.00 C ATOM 74 CG2 VAL A 6 -14.929 -3.544 1.812 1.00 0.00 C ATOM 0 H VAL A 6 -14.039 -5.906 2.137 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.193 -5.239 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.902 -4.068 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.481 -1.918 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.948 -3.133 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.679 -2.754 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.664 -2.577 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.903 -3.472 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.972 -4.290 2.605 1.00 0.00 H new ATOM 84 N PHE A 7 -12.069 -6.276 -0.458 1.00 0.00 N ATOM 85 CA PHE A 7 -10.974 -6.502 -1.392 1.00 0.00 C ATOM 86 C PHE A 7 -10.978 -7.931 -1.926 1.00 0.00 C ATOM 87 O PHE A 7 -10.145 -8.262 -2.772 1.00 0.00 O ATOM 88 CB PHE A 7 -9.657 -6.131 -0.718 1.00 0.00 C ATOM 89 CG PHE A 7 -9.650 -4.750 -0.092 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.762 -3.608 -0.906 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.527 -4.603 1.303 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.682 -2.325 -0.343 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.419 -3.318 1.863 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.479 -2.182 1.039 1.00 0.00 C ATOM 0 H PHE A 7 -11.872 -6.532 0.510 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.104 -5.861 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.435 -6.869 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.855 -6.189 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.910 -3.719 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.516 -5.475 1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.776 -1.451 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.290 -3.204 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.369 -1.197 1.469 1.00 0.00 H new ATOM 104 N ALA A 8 -11.926 -8.769 -1.493 1.00 0.00 N ATOM 105 CA ALA A 8 -11.982 -10.178 -1.854 1.00 0.00 C ATOM 106 C ALA A 8 -12.073 -10.314 -3.363 1.00 0.00 C ATOM 107 O ALA A 8 -11.420 -11.157 -3.964 1.00 0.00 O ATOM 108 CB ALA A 8 -13.206 -10.818 -1.205 1.00 0.00 C ATOM 0 H ALA A 8 -12.683 -8.478 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.081 -10.680 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.250 -11.873 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.135 -10.722 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.108 -10.316 -1.555 1.00 0.00 H new ATOM 114 N GLU A 9 -12.854 -9.440 -3.990 1.00 0.00 N ATOM 115 CA GLU A 9 -13.058 -9.440 -5.422 1.00 0.00 C ATOM 116 C GLU A 9 -11.794 -9.090 -6.211 1.00 0.00 C ATOM 117 O GLU A 9 -11.721 -9.381 -7.406 1.00 0.00 O ATOM 118 CB GLU A 9 -14.090 -8.367 -5.755 1.00 0.00 C ATOM 119 CG GLU A 9 -15.478 -8.509 -5.126 1.00 0.00 C ATOM 120 CD GLU A 9 -16.484 -7.555 -5.789 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.072 -6.622 -6.523 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.709 -7.778 -5.672 1.00 0.00 O ATOM 0 H GLU A 9 -13.367 -8.704 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.372 -10.447 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.681 -7.402 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.211 -8.340 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.824 -9.537 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.421 -8.298 -4.058 1.00 0.00 H new ATOM 129 N TYR A 10 -10.816 -8.438 -5.581 1.00 0.00 N ATOM 130 CA TYR A 10 -9.517 -8.203 -6.178 1.00 0.00 C ATOM 131 C TYR A 10 -8.677 -9.465 -6.006 1.00 0.00 C ATOM 132 O TYR A 10 -8.214 -10.038 -6.992 1.00 0.00 O ATOM 133 CB TYR A 10 -8.869 -6.971 -5.538 1.00 0.00 C ATOM 134 CG TYR A 10 -7.694 -6.439 -6.324 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.916 -5.876 -7.595 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.393 -6.477 -5.787 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.848 -5.329 -8.321 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.324 -5.912 -6.504 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.554 -5.328 -7.771 1.00 0.00 C ATOM 140 OH TYR A 10 -4.543 -4.718 -8.438 1.00 0.00 O ATOM 0 H TYR A 10 -10.911 -8.060 -4.639 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.604 -7.993 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.618 -6.185 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.539 -7.224 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.912 -5.865 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.217 -6.939 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.019 -4.909 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.328 -5.924 -6.087 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.914 -4.140 -9.137 1.00 0.00 H new ATOM 150 N LEU A 11 -8.523 -9.939 -4.762 1.00 0.00 N ATOM 151 CA LEU A 11 -7.690 -11.097 -4.448 1.00 0.00 C ATOM 152 C LEU A 11 -8.138 -12.342 -5.206 1.00 0.00 C ATOM 153 O LEU A 11 -7.281 -13.095 -5.666 1.00 0.00 O ATOM 154 CB LEU A 11 -7.682 -11.406 -2.942 1.00 0.00 C ATOM 155 CG LEU A 11 -6.776 -10.539 -2.054 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.339 -10.393 -2.568 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.325 -9.150 -1.767 1.00 0.00 C ATOM 0 H LEU A 11 -8.976 -9.526 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.680 -10.833 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.704 -11.316 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.387 -12.447 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.759 -11.109 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.769 -9.766 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.874 -11.377 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.351 -9.932 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.624 -8.605 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.461 -8.612 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.284 -9.236 -1.256 1.00 0.00 H new ATOM 169 N LYS A 12 -9.449 -12.560 -5.365 1.00 0.00 N ATOM 170 CA LYS A 12 -9.990 -13.720 -6.058 1.00 0.00 C ATOM 171 C LYS A 12 -9.466 -13.787 -7.490 1.00 0.00 C ATOM 172 O LYS A 12 -9.301 -14.880 -8.021 1.00 0.00 O ATOM 173 CB LYS A 12 -11.534 -13.705 -5.997 1.00 0.00 C ATOM 174 CG LYS A 12 -12.206 -12.791 -7.029 1.00 0.00 C ATOM 175 CD LYS A 12 -13.733 -12.773 -6.893 1.00 0.00 C ATOM 176 CE LYS A 12 -14.339 -14.125 -7.264 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.805 -14.121 -7.100 1.00 0.00 N ATOM 0 H LYS A 12 -10.165 -11.926 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.652 -14.627 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.900 -14.722 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.842 -13.392 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.823 -11.777 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.938 -13.123 -8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.006 -12.518 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.148 -11.997 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.088 -14.367 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.904 -14.904 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.186 -15.053 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.043 -13.914 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.221 -13.393 -7.715 1.00 0.00 H new ATOM 191 N GLY A 13 -9.233 -12.633 -8.115 1.00 0.00 N ATOM 192 CA GLY A 13 -8.801 -12.518 -9.494 1.00 0.00 C ATOM 193 C GLY A 13 -7.285 -12.588 -9.638 1.00 0.00 C ATOM 194 O GLY A 13 -6.793 -12.558 -10.769 1.00 0.00 O ATOM 0 H GLY A 13 -9.345 -11.729 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.256 -13.315 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.159 -11.574 -9.906 1.00 0.00 H new ATOM 198 N ILE A 14 -6.519 -12.675 -8.540 1.00 0.00 N ATOM 199 CA ILE A 14 -5.091 -12.925 -8.617 1.00 0.00 C ATOM 200 C ILE A 14 -4.940 -14.424 -8.894 1.00 0.00 C ATOM 201 O ILE A 14 -4.858 -15.261 -7.995 1.00 0.00 O ATOM 202 CB ILE A 14 -4.332 -12.413 -7.371 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.662 -10.925 -7.084 1.00 0.00 C ATOM 204 CG2 ILE A 14 -2.819 -12.612 -7.599 1.00 0.00 C ATOM 205 CD1 ILE A 14 -3.887 -10.316 -5.912 1.00 0.00 C ATOM 0 H ILE A 14 -6.876 -12.574 -7.590 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.622 -12.360 -9.423 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.647 -12.981 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.457 -10.341 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.729 -10.835 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.270 -12.255 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.610 -13.671 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.507 -12.051 -8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.181 -9.274 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.110 -10.871 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.818 -10.369 -6.116 1.00 0.00 H new ATOM 217 N ASP A 15 -4.894 -14.756 -10.180 1.00 0.00 N ATOM 218 CA ASP A 15 -4.699 -16.101 -10.745 1.00 0.00 C ATOM 219 C ASP A 15 -3.242 -16.586 -10.667 1.00 0.00 C ATOM 220 O ASP A 15 -2.845 -17.600 -11.247 1.00 0.00 O ATOM 221 CB ASP A 15 -5.153 -16.043 -12.192 1.00 0.00 C ATOM 222 CG ASP A 15 -5.583 -17.418 -12.699 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.556 -17.975 -12.143 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.956 -17.906 -13.666 1.00 0.00 O ATOM 0 H ASP A 15 -4.998 -14.051 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.279 -16.816 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.983 -15.343 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.343 -15.662 -12.814 1.00 0.00 H new ATOM 229 N HIS A 16 -2.441 -15.800 -9.959 1.00 0.00 N ATOM 230 CA HIS A 16 -1.022 -15.943 -9.663 1.00 0.00 C ATOM 231 C HIS A 16 -0.848 -16.121 -8.140 1.00 0.00 C ATOM 232 O HIS A 16 -0.335 -15.224 -7.463 1.00 0.00 O ATOM 233 CB HIS A 16 -0.305 -14.729 -10.303 1.00 0.00 C ATOM 234 CG HIS A 16 1.073 -14.976 -10.864 1.00 0.00 C ATOM 235 ND1 HIS A 16 2.049 -14.016 -11.020 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.539 -16.131 -11.435 1.00 0.00 C ATOM 237 CE1 HIS A 16 3.096 -14.584 -11.635 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.831 -15.872 -11.913 1.00 0.00 N ATOM 0 H HIS A 16 -2.813 -14.952 -9.531 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.560 -16.832 -10.092 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.935 -14.345 -11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.231 -13.943 -9.552 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.008 -17.069 -11.504 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.020 -14.079 -11.873 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.450 -16.533 -12.381 1.00 0.00 H new ATOM 246 N PRO A 17 -1.278 -17.269 -7.577 1.00 0.00 N ATOM 247 CA PRO A 17 -1.436 -17.495 -6.134 1.00 0.00 C ATOM 248 C PRO A 17 -0.118 -17.478 -5.357 1.00 0.00 C ATOM 249 O PRO A 17 -0.148 -17.298 -4.137 1.00 0.00 O ATOM 250 CB PRO A 17 -2.087 -18.876 -6.016 1.00 0.00 C ATOM 251 CG PRO A 17 -1.657 -19.591 -7.290 1.00 0.00 C ATOM 252 CD PRO A 17 -1.683 -18.464 -8.306 1.00 0.00 C ATOM 0 HA PRO A 17 -2.030 -16.690 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.745 -19.404 -5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.172 -18.802 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.665 -20.033 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.341 -20.397 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.004 -18.667 -9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.679 -18.344 -8.733 1.00 0.00 H new ATOM 260 N ASP A 18 1.033 -17.617 -6.024 1.00 0.00 N ATOM 261 CA ASP A 18 2.342 -17.450 -5.379 1.00 0.00 C ATOM 262 C ASP A 18 2.535 -16.025 -4.861 1.00 0.00 C ATOM 263 O ASP A 18 3.426 -15.802 -4.046 1.00 0.00 O ATOM 264 CB ASP A 18 3.501 -17.780 -6.337 1.00 0.00 C ATOM 265 CG ASP A 18 4.003 -19.204 -6.174 1.00 0.00 C ATOM 266 OD1 ASP A 18 4.528 -19.546 -5.090 1.00 0.00 O ATOM 267 OD2 ASP A 18 3.840 -20.013 -7.117 1.00 0.00 O ATOM 0 H ASP A 18 1.085 -17.846 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 18 2.356 -18.149 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.172 -17.630 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.323 -17.086 -6.160 1.00 0.00 H new ATOM 272 N HIS A 19 1.726 -15.059 -5.314 1.00 0.00 N ATOM 273 CA HIS A 19 1.941 -13.636 -5.021 1.00 0.00 C ATOM 274 C HIS A 19 0.661 -12.940 -4.541 1.00 0.00 C ATOM 275 O HIS A 19 0.583 -11.711 -4.474 1.00 0.00 O ATOM 276 CB HIS A 19 2.513 -12.946 -6.267 1.00 0.00 C ATOM 277 CG HIS A 19 3.346 -13.840 -7.147 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.850 -14.594 -8.181 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.653 -14.197 -6.961 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.847 -15.366 -8.635 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.975 -15.148 -7.939 1.00 0.00 N ATOM 0 H HIS A 19 0.906 -15.241 -5.893 1.00 0.00 H new ATOM 0 HA HIS A 19 2.655 -13.559 -4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.688 -12.544 -6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.122 -12.099 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.316 -13.815 -6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.756 -16.068 -9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.883 -15.586 -8.092 1.00 0.00 H new ATOM 289 N ARG A 20 -0.385 -13.715 -4.285 1.00 0.00 N ATOM 290 CA ARG A 20 -1.703 -13.245 -3.901 1.00 0.00 C ATOM 291 C ARG A 20 -1.692 -12.835 -2.438 1.00 0.00 C ATOM 292 O ARG A 20 -1.891 -11.664 -2.121 1.00 0.00 O ATOM 293 CB ARG A 20 -2.670 -14.393 -4.194 1.00 0.00 C ATOM 294 CG ARG A 20 -4.103 -14.068 -3.795 1.00 0.00 C ATOM 295 CD ARG A 20 -5.025 -15.200 -4.239 1.00 0.00 C ATOM 296 NE ARG A 20 -6.252 -15.128 -3.456 1.00 0.00 N ATOM 297 CZ ARG A 20 -7.352 -15.862 -3.607 1.00 0.00 C ATOM 298 NH1 ARG A 20 -7.467 -16.706 -4.622 1.00 0.00 N ATOM 299 NH2 ARG A 20 -8.328 -15.764 -2.720 1.00 0.00 N ATOM 0 H ARG A 20 -0.332 -14.732 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.014 -12.361 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.637 -14.628 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.342 -15.285 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.169 -13.933 -2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.415 -13.130 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.248 -15.112 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.538 -16.165 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.270 -14.436 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.708 -16.798 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.314 -17.264 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.235 -15.129 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.174 -16.323 -2.829 1.00 0.00 H new ATOM 313 N ASP A 21 -1.420 -13.811 -1.578 1.00 0.00 N ATOM 314 CA ASP A 21 -1.387 -13.718 -0.115 1.00 0.00 C ATOM 315 C ASP A 21 -0.499 -12.582 0.371 1.00 0.00 C ATOM 316 O ASP A 21 -0.810 -11.928 1.359 1.00 0.00 O ATOM 317 CB ASP A 21 -0.848 -15.030 0.451 1.00 0.00 C ATOM 318 CG ASP A 21 -0.579 -14.946 1.948 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.534 -15.083 2.741 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.624 -14.794 2.267 1.00 0.00 O ATOM 0 H ASP A 21 -1.201 -14.753 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.403 -13.522 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.564 -15.828 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.073 -15.295 -0.067 1.00 0.00 H new ATOM 325 N ARG A 22 0.568 -12.295 -0.375 1.00 0.00 N ATOM 326 CA ARG A 22 1.446 -11.151 -0.133 1.00 0.00 C ATOM 327 C ARG A 22 0.614 -9.885 0.085 1.00 0.00 C ATOM 328 O ARG A 22 0.734 -9.223 1.109 1.00 0.00 O ATOM 329 CB ARG A 22 2.442 -10.994 -1.300 1.00 0.00 C ATOM 330 CG ARG A 22 3.252 -12.249 -1.685 1.00 0.00 C ATOM 331 CD ARG A 22 4.220 -12.769 -0.613 1.00 0.00 C ATOM 332 NE ARG A 22 3.520 -13.401 0.517 1.00 0.00 N ATOM 333 CZ ARG A 22 3.963 -13.452 1.779 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.218 -13.118 2.060 1.00 0.00 N ATOM 335 NH2 ARG A 22 3.144 -13.827 2.749 1.00 0.00 N ATOM 0 H ARG A 22 0.850 -12.859 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 22 2.026 -11.322 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.889 -10.662 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.144 -10.200 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.554 -13.047 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.822 -12.029 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.903 -13.490 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.827 -11.942 -0.244 1.00 0.00 H new ATOM 0 HE ARG A 22 2.619 -13.838 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.846 -12.822 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.553 -13.158 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.179 -14.076 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.478 -13.867 3.712 1.00 0.00 H new ATOM 349 N THR A 23 -0.283 -9.575 -0.848 1.00 0.00 N ATOM 350 CA THR A 23 -1.135 -8.396 -0.768 1.00 0.00 C ATOM 351 C THR A 23 -2.105 -8.487 0.426 1.00 0.00 C ATOM 352 O THR A 23 -2.476 -7.456 0.984 1.00 0.00 O ATOM 353 CB THR A 23 -1.864 -8.227 -2.117 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.958 -8.339 -3.204 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.549 -6.864 -2.251 1.00 0.00 C ATOM 0 H THR A 23 -0.438 -10.139 -1.684 1.00 0.00 H new ATOM 0 HA THR A 23 -0.530 -7.508 -0.587 1.00 0.00 H new ATOM 0 HB THR A 23 -2.613 -9.019 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.460 -8.390 -4.044 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.046 -6.800 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.286 -6.747 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.803 -6.073 -2.173 1.00 0.00 H new ATOM 363 N GLU A 24 -2.517 -9.683 0.853 1.00 0.00 N ATOM 364 CA GLU A 24 -3.373 -9.861 2.023 1.00 0.00 C ATOM 365 C GLU A 24 -2.616 -9.603 3.328 1.00 0.00 C ATOM 366 O GLU A 24 -3.243 -9.170 4.298 1.00 0.00 O ATOM 367 CB GLU A 24 -3.997 -11.264 2.039 1.00 0.00 C ATOM 368 CG GLU A 24 -4.873 -11.474 0.802 1.00 0.00 C ATOM 369 CD GLU A 24 -5.596 -12.819 0.805 1.00 0.00 C ATOM 370 OE1 GLU A 24 -4.910 -13.868 0.855 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.843 -12.835 0.697 1.00 0.00 O ATOM 0 H GLU A 24 -2.264 -10.558 0.393 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.172 -9.123 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.210 -12.018 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.595 -11.393 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.609 -10.672 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.253 -11.403 -0.092 1.00 0.00 H new ATOM 378 N GLU A 25 -1.293 -9.818 3.382 1.00 0.00 N ATOM 379 CA GLU A 25 -0.490 -9.352 4.512 1.00 0.00 C ATOM 380 C GLU A 25 -0.612 -7.837 4.600 1.00 0.00 C ATOM 381 O GLU A 25 -1.029 -7.342 5.646 1.00 0.00 O ATOM 382 CB GLU A 25 0.990 -9.757 4.458 1.00 0.00 C ATOM 383 CG GLU A 25 1.248 -11.262 4.554 1.00 0.00 C ATOM 384 CD GLU A 25 2.648 -11.610 5.085 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.472 -10.711 5.387 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.934 -12.815 5.258 1.00 0.00 O ATOM 0 H GLU A 25 -0.764 -10.308 2.661 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.887 -9.841 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.419 -9.388 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.518 -9.260 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.499 -11.710 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.120 -11.708 3.568 1.00 0.00 H new ATOM 393 N ILE A 26 -0.309 -7.129 3.499 1.00 0.00 N ATOM 394 CA ILE A 26 -0.419 -5.672 3.402 1.00 0.00 C ATOM 395 C ILE A 26 -1.799 -5.215 3.898 1.00 0.00 C ATOM 396 O ILE A 26 -1.889 -4.313 4.729 1.00 0.00 O ATOM 397 CB ILE A 26 -0.120 -5.178 1.955 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.380 -5.192 1.591 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.635 -3.749 1.731 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.934 -6.494 1.037 1.00 0.00 C ATOM 0 H ILE A 26 0.025 -7.565 2.639 1.00 0.00 H new ATOM 0 HA ILE A 26 0.334 -5.218 4.046 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.642 -5.888 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.560 -4.406 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.949 -4.932 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.409 -3.437 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.713 -3.722 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.148 -3.073 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.996 -6.375 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.800 -7.288 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.404 -6.754 0.121 1.00 0.00 H new ATOM 412 N LEU A 27 -2.877 -5.788 3.353 1.00 0.00 N ATOM 413 CA LEU A 27 -4.229 -5.304 3.602 1.00 0.00 C ATOM 414 C LEU A 27 -4.607 -5.472 5.077 1.00 0.00 C ATOM 415 O LEU A 27 -5.062 -4.508 5.694 1.00 0.00 O ATOM 416 CB LEU A 27 -5.234 -6.005 2.675 1.00 0.00 C ATOM 417 CG LEU A 27 -5.129 -5.576 1.200 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.683 -6.652 0.271 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.932 -4.297 0.948 1.00 0.00 C ATOM 0 H LEU A 27 -2.833 -6.595 2.731 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.261 -4.238 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.083 -7.083 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.244 -5.802 3.031 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.071 -5.412 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.595 -6.320 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.118 -7.575 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.732 -6.831 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.843 -4.012 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.980 -4.472 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.545 -3.495 1.576 1.00 0.00 H new ATOM 431 N SER A 28 -4.411 -6.664 5.651 1.00 0.00 N ATOM 432 CA SER A 28 -4.721 -6.904 7.050 1.00 0.00 C ATOM 433 C SER A 28 -3.782 -6.178 8.004 1.00 0.00 C ATOM 434 O SER A 28 -4.218 -5.851 9.109 1.00 0.00 O ATOM 435 CB SER A 28 -4.687 -8.402 7.313 1.00 0.00 C ATOM 436 OG SER A 28 -5.932 -8.983 6.973 1.00 0.00 O ATOM 0 H SER A 28 -4.037 -7.476 5.159 1.00 0.00 H new ATOM 0 HA SER A 28 -5.717 -6.504 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.890 -8.864 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.464 -8.590 8.363 1.00 0.00 H new ATOM 0 HG SER A 28 -6.493 -8.315 6.526 1.00 0.00 H new ATOM 442 N TRP A 29 -2.540 -5.914 7.594 1.00 0.00 N ATOM 443 CA TRP A 29 -1.618 -5.075 8.333 1.00 0.00 C ATOM 444 C TRP A 29 -2.228 -3.679 8.423 1.00 0.00 C ATOM 445 O TRP A 29 -2.568 -3.256 9.521 1.00 0.00 O ATOM 446 CB TRP A 29 -0.238 -5.122 7.666 1.00 0.00 C ATOM 447 CG TRP A 29 0.837 -4.310 8.298 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.426 -4.566 9.484 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.477 -3.109 7.788 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.395 -3.618 9.739 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.461 -2.685 8.726 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.307 -2.332 6.626 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.248 -1.544 8.511 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.111 -1.205 6.386 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.093 -0.827 7.316 1.00 0.00 C ATOM 0 H TRP A 29 -2.149 -6.285 6.728 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.461 -5.426 9.353 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.092 -6.161 7.638 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.348 -4.795 6.632 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.176 -5.390 10.136 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.987 -3.608 10.570 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.548 -2.606 5.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.962 -1.223 9.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.973 -0.628 5.484 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.731 0.019 7.110 1.00 0.00 H new ATOM 466 N VAL A 30 -2.487 -3.007 7.291 1.00 0.00 N ATOM 467 CA VAL A 30 -3.069 -1.663 7.258 1.00 0.00 C ATOM 468 C VAL A 30 -4.305 -1.562 8.163 1.00 0.00 C ATOM 469 O VAL A 30 -4.402 -0.609 8.936 1.00 0.00 O ATOM 470 CB VAL A 30 -3.367 -1.242 5.799 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.287 -0.011 5.720 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.070 -0.932 5.033 1.00 0.00 C ATOM 0 H VAL A 30 -2.295 -3.388 6.365 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.340 -0.959 7.660 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.876 -2.090 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.465 0.244 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.237 -0.235 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.812 0.831 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.312 -0.639 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.541 -0.118 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.437 -1.819 5.016 1.00 0.00 H new ATOM 482 N ALA A 31 -5.217 -2.542 8.104 1.00 0.00 N ATOM 483 CA ALA A 31 -6.449 -2.565 8.889 1.00 0.00 C ATOM 484 C ALA A 31 -6.232 -2.533 10.416 1.00 0.00 C ATOM 485 O ALA A 31 -7.190 -2.294 11.159 1.00 0.00 O ATOM 486 CB ALA A 31 -7.258 -3.802 8.484 1.00 0.00 C ATOM 0 H ALA A 31 -5.113 -3.354 7.496 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.992 -1.647 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.183 -3.837 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.494 -3.750 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.673 -4.700 8.682 1.00 0.00 H new ATOM 492 N ALA A 32 -5.003 -2.754 10.886 1.00 0.00 N ATOM 493 CA ALA A 32 -4.586 -2.698 12.278 1.00 0.00 C ATOM 494 C ALA A 32 -3.582 -1.573 12.516 1.00 0.00 C ATOM 495 O ALA A 32 -3.772 -0.792 13.440 1.00 0.00 O ATOM 496 CB ALA A 32 -3.980 -4.047 12.656 1.00 0.00 C ATOM 0 H ALA A 32 -4.230 -2.990 10.264 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.454 -2.489 12.904 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.661 -4.023 13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.725 -4.831 12.522 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.120 -4.251 12.018 1.00 0.00 H new ATOM 502 N THR A 33 -2.516 -1.480 11.719 1.00 0.00 N ATOM 503 CA THR A 33 -1.443 -0.517 11.938 1.00 0.00 C ATOM 504 C THR A 33 -1.961 0.915 11.800 1.00 0.00 C ATOM 505 O THR A 33 -1.495 1.809 12.513 1.00 0.00 O ATOM 506 CB THR A 33 -0.312 -0.745 10.923 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.215 -2.084 10.508 1.00 0.00 O ATOM 508 CG2 THR A 33 1.059 -0.341 11.461 1.00 0.00 C ATOM 0 H THR A 33 -2.375 -2.074 10.902 1.00 0.00 H new ATOM 0 HA THR A 33 -1.063 -0.660 12.949 1.00 0.00 H new ATOM 0 HB THR A 33 -0.583 -0.110 10.080 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.625 -2.215 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.817 -0.525 10.700 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.052 0.718 11.717 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.288 -0.928 12.351 1.00 0.00 H new ATOM 516 N PHE A 34 -2.915 1.138 10.888 1.00 0.00 N ATOM 517 CA PHE A 34 -3.520 2.437 10.640 1.00 0.00 C ATOM 518 C PHE A 34 -5.029 2.213 10.702 1.00 0.00 C ATOM 519 O PHE A 34 -5.711 2.178 9.676 1.00 0.00 O ATOM 520 CB PHE A 34 -3.032 3.060 9.318 1.00 0.00 C ATOM 521 CG PHE A 34 -1.603 2.682 8.975 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.538 3.137 9.777 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.357 1.741 7.961 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.754 2.619 9.587 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.068 1.226 7.769 1.00 0.00 C ATOM 526 CZ PHE A 34 0.983 1.659 8.589 1.00 0.00 C ATOM 0 H PHE A 34 -3.291 0.400 10.293 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.224 3.172 11.388 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.690 2.743 8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.109 4.145 9.384 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.715 3.883 10.537 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.166 1.413 7.326 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.570 2.959 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.115 0.498 6.992 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.974 1.252 8.452 1.00 0.00 H new ATOM 536 N PRO A 35 -5.592 2.034 11.905 1.00 0.00 N ATOM 537 CA PRO A 35 -6.993 1.667 12.051 1.00 0.00 C ATOM 538 C PRO A 35 -7.908 2.833 11.645 1.00 0.00 C ATOM 539 O PRO A 35 -9.103 2.640 11.440 1.00 0.00 O ATOM 540 CB PRO A 35 -7.128 1.271 13.521 1.00 0.00 C ATOM 541 CG PRO A 35 -6.114 2.186 14.211 1.00 0.00 C ATOM 542 CD PRO A 35 -4.979 2.294 13.200 1.00 0.00 C ATOM 0 HA PRO A 35 -7.297 0.847 11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.139 1.434 13.893 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.896 0.218 13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.544 3.162 14.436 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.771 1.763 15.155 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.521 3.283 13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.191 1.572 13.414 1.00 0.00 H new ATOM 550 N ASN A 36 -7.342 4.039 11.495 1.00 0.00 N ATOM 551 CA ASN A 36 -7.945 5.236 10.921 1.00 0.00 C ATOM 552 C ASN A 36 -7.782 5.261 9.391 1.00 0.00 C ATOM 553 O ASN A 36 -7.590 6.319 8.786 1.00 0.00 O ATOM 554 CB ASN A 36 -7.334 6.466 11.609 1.00 0.00 C ATOM 555 CG ASN A 36 -8.110 7.757 11.370 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.209 7.763 10.817 1.00 0.00 O ATOM 557 ND2 ASN A 36 -7.537 8.872 11.800 1.00 0.00 N ATOM 0 H ASN A 36 -6.382 4.209 11.795 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.020 5.241 11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.279 6.280 12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.311 6.597 11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.008 9.768 11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.625 8.834 12.255 1.00 0.00 H new ATOM 564 N LEU A 37 -7.798 4.097 8.739 1.00 0.00 N ATOM 565 CA LEU A 37 -8.142 3.960 7.331 1.00 0.00 C ATOM 566 C LEU A 37 -9.326 3.004 7.194 1.00 0.00 C ATOM 567 O LEU A 37 -9.304 1.906 7.764 1.00 0.00 O ATOM 568 CB LEU A 37 -6.946 3.394 6.560 1.00 0.00 C ATOM 569 CG LEU A 37 -5.806 4.391 6.297 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.678 3.611 5.624 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.245 5.530 5.373 1.00 0.00 C ATOM 0 H LEU A 37 -7.567 3.210 9.187 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.405 4.937 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.545 2.546 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.300 3.010 5.603 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.493 4.839 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.844 4.282 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.345 2.810 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.039 3.183 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.409 6.212 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.566 5.119 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.073 6.072 5.831 1.00 0.00 H new ATOM 583 N GLU A 38 -10.317 3.370 6.383 1.00 0.00 N ATOM 584 CA GLU A 38 -11.456 2.522 6.026 1.00 0.00 C ATOM 585 C GLU A 38 -11.276 2.003 4.594 1.00 0.00 C ATOM 586 O GLU A 38 -10.683 2.698 3.768 1.00 0.00 O ATOM 587 CB GLU A 38 -12.770 3.314 6.123 1.00 0.00 C ATOM 588 CG GLU A 38 -13.081 3.750 7.557 1.00 0.00 C ATOM 589 CD GLU A 38 -13.458 2.606 8.500 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.566 2.043 8.353 1.00 0.00 O ATOM 591 OE2 GLU A 38 -12.648 2.259 9.397 1.00 0.00 O ATOM 0 H GLU A 38 -10.352 4.290 5.943 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.501 1.684 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.709 4.194 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.589 2.702 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.211 4.267 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.899 4.470 7.535 1.00 0.00 H new ATOM 598 N PRO A 39 -11.787 0.806 4.273 1.00 0.00 N ATOM 599 CA PRO A 39 -11.604 0.173 2.972 1.00 0.00 C ATOM 600 C PRO A 39 -12.451 0.841 1.878 1.00 0.00 C ATOM 601 O PRO A 39 -13.500 1.428 2.168 1.00 0.00 O ATOM 602 CB PRO A 39 -12.029 -1.282 3.206 1.00 0.00 C ATOM 603 CG PRO A 39 -13.104 -1.164 4.291 1.00 0.00 C ATOM 604 CD PRO A 39 -12.535 -0.056 5.174 1.00 0.00 C ATOM 0 HA PRO A 39 -10.578 0.259 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.423 -1.737 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.192 -1.898 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.076 -0.898 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.236 -2.097 4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.331 0.495 5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.891 -0.465 5.952 1.00 0.00 H new ATOM 612 N GLN A 40 -12.022 0.731 0.613 1.00 0.00 N ATOM 613 CA GLN A 40 -12.759 1.193 -0.552 1.00 0.00 C ATOM 614 C GLN A 40 -12.169 0.520 -1.802 1.00 0.00 C ATOM 615 O GLN A 40 -11.011 0.773 -2.134 1.00 0.00 O ATOM 616 CB GLN A 40 -12.633 2.728 -0.603 1.00 0.00 C ATOM 617 CG GLN A 40 -13.542 3.345 -1.658 1.00 0.00 C ATOM 618 CD GLN A 40 -13.742 4.836 -1.390 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.634 5.230 -0.643 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.892 5.703 -1.920 1.00 0.00 N ATOM 0 H GLN A 40 -11.126 0.305 0.375 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.816 0.931 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.879 3.144 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.598 2.999 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.108 3.203 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.506 2.837 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.151 5.377 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.979 6.697 -1.708 1.00 0.00 H new ATOM 629 N MET A 41 -12.904 -0.346 -2.507 1.00 0.00 N ATOM 630 CA MET A 41 -12.493 -0.779 -3.832 1.00 0.00 C ATOM 631 C MET A 41 -12.935 0.295 -4.815 1.00 0.00 C ATOM 632 O MET A 41 -14.118 0.633 -4.889 1.00 0.00 O ATOM 633 CB MET A 41 -13.073 -2.157 -4.184 1.00 0.00 C ATOM 634 CG MET A 41 -12.017 -3.243 -3.934 1.00 0.00 C ATOM 635 SD MET A 41 -12.097 -4.670 -5.036 1.00 0.00 S ATOM 636 CE MET A 41 -11.392 -3.812 -6.459 1.00 0.00 C ATOM 0 H MET A 41 -13.779 -0.754 -2.179 1.00 0.00 H new ATOM 0 HA MET A 41 -11.411 -0.900 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.960 -2.353 -3.582 1.00 0.00 H new ATOM 0 HB3 MET A 41 -13.386 -2.174 -5.228 1.00 0.00 H new ATOM 0 HG2 MET A 41 -11.029 -2.792 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.117 -3.593 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.995 -4.018 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.383 -2.739 -6.269 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.373 -4.160 -6.625 1.00 0.00 H new ATOM 646 N LYS A 42 -11.988 0.867 -5.553 1.00 0.00 N ATOM 647 CA LYS A 42 -12.229 1.974 -6.467 1.00 0.00 C ATOM 648 C LYS A 42 -11.434 1.724 -7.733 1.00 0.00 C ATOM 649 O LYS A 42 -10.293 1.269 -7.637 1.00 0.00 O ATOM 650 CB LYS A 42 -11.810 3.276 -5.773 1.00 0.00 C ATOM 651 CG LYS A 42 -12.507 4.478 -6.406 1.00 0.00 C ATOM 652 CD LYS A 42 -11.937 5.797 -5.902 1.00 0.00 C ATOM 653 CE LYS A 42 -12.646 6.928 -6.638 1.00 0.00 C ATOM 654 NZ LYS A 42 -12.077 8.236 -6.276 1.00 0.00 N ATOM 0 H LYS A 42 -11.013 0.567 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.282 2.058 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.057 3.224 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.729 3.399 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.403 4.428 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.574 4.436 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.086 5.890 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.863 5.841 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.560 6.776 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.709 6.912 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.578 8.987 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.182 8.389 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.068 8.257 -6.528 1.00 0.00 H new ATOM 668 N TRP A 43 -12.015 1.988 -8.905 1.00 0.00 N ATOM 669 CA TRP A 43 -11.400 1.743 -10.209 1.00 0.00 C ATOM 670 C TRP A 43 -10.813 0.333 -10.315 1.00 0.00 C ATOM 671 O TRP A 43 -9.802 0.111 -10.980 1.00 0.00 O ATOM 672 CB TRP A 43 -10.386 2.838 -10.492 1.00 0.00 C ATOM 673 CG TRP A 43 -10.941 4.113 -11.037 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.962 4.848 -10.547 1.00 0.00 C ATOM 675 CD2 TRP A 43 -10.512 4.793 -12.244 1.00 0.00 C ATOM 676 NE1 TRP A 43 -12.145 5.962 -11.342 1.00 0.00 N ATOM 677 CE2 TRP A 43 -11.241 6.005 -12.380 1.00 0.00 C ATOM 678 CE3 TRP A 43 -9.561 4.484 -13.230 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -10.976 6.920 -13.409 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -9.281 5.391 -14.272 1.00 0.00 C ATOM 681 CH2 TRP A 43 -9.971 6.618 -14.343 1.00 0.00 C ATOM 0 H TRP A 43 -12.951 2.388 -8.974 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.167 1.783 -10.983 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.853 3.061 -9.568 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.651 2.453 -11.198 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.544 4.603 -9.671 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.863 6.668 -11.180 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.038 3.540 -13.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -11.535 7.841 -13.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.538 5.146 -15.016 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.726 7.329 -15.118 1.00 0.00 H new ATOM 692 N ASN A 44 -11.460 -0.642 -9.675 1.00 0.00 N ATOM 693 CA ASN A 44 -11.108 -2.046 -9.665 1.00 0.00 C ATOM 694 C ASN A 44 -9.789 -2.280 -8.927 1.00 0.00 C ATOM 695 O ASN A 44 -9.178 -3.335 -9.090 1.00 0.00 O ATOM 696 CB ASN A 44 -11.082 -2.645 -11.075 1.00 0.00 C ATOM 697 CG ASN A 44 -12.060 -2.021 -12.067 1.00 0.00 C ATOM 698 OD1 ASN A 44 -13.247 -2.320 -12.066 1.00 0.00 O ATOM 699 ND2 ASN A 44 -11.592 -1.092 -12.889 1.00 0.00 N ATOM 0 H ASN A 44 -12.293 -0.451 -9.119 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.891 -2.570 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.073 -2.547 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.294 -3.712 -11.003 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.224 -0.615 -13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.600 -0.854 -12.878 1.00 0.00 H new ATOM 706 N THR A 45 -9.348 -1.323 -8.110 1.00 0.00 N ATOM 707 CA THR A 45 -8.137 -1.388 -7.316 1.00 0.00 C ATOM 708 C THR A 45 -8.501 -1.293 -5.825 1.00 0.00 C ATOM 709 O THR A 45 -9.507 -0.669 -5.467 1.00 0.00 O ATOM 710 CB THR A 45 -7.145 -0.283 -7.739 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.625 1.033 -7.508 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.757 -0.354 -9.218 1.00 0.00 C ATOM 0 H THR A 45 -9.853 -0.446 -7.983 1.00 0.00 H new ATOM 0 HA THR A 45 -7.638 -2.342 -7.488 1.00 0.00 H new ATOM 0 HB THR A 45 -6.278 -0.480 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.575 1.080 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.058 0.450 -9.450 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.286 -1.315 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.650 -0.247 -9.834 1.00 0.00 H new ATOM 720 N PRO A 46 -7.715 -1.920 -4.943 1.00 0.00 N ATOM 721 CA PRO A 46 -7.844 -1.797 -3.498 1.00 0.00 C ATOM 722 C PRO A 46 -7.248 -0.466 -3.004 1.00 0.00 C ATOM 723 O PRO A 46 -6.024 -0.323 -2.934 1.00 0.00 O ATOM 724 CB PRO A 46 -7.091 -3.016 -2.949 1.00 0.00 C ATOM 725 CG PRO A 46 -6.021 -3.277 -4.008 1.00 0.00 C ATOM 726 CD PRO A 46 -6.715 -2.909 -5.301 1.00 0.00 C ATOM 0 HA PRO A 46 -8.881 -1.781 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.650 -2.810 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.752 -3.874 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.132 -2.668 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.699 -4.318 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.007 -2.505 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.176 -3.783 -5.760 1.00 0.00 H new ATOM 734 N MET A 47 -8.082 0.502 -2.614 1.00 0.00 N ATOM 735 CA MET A 47 -7.630 1.700 -1.903 1.00 0.00 C ATOM 736 C MET A 47 -8.204 1.724 -0.484 1.00 0.00 C ATOM 737 O MET A 47 -8.993 0.858 -0.099 1.00 0.00 O ATOM 738 CB MET A 47 -7.885 2.982 -2.716 1.00 0.00 C ATOM 739 CG MET A 47 -9.365 3.268 -2.975 1.00 0.00 C ATOM 740 SD MET A 47 -9.764 4.987 -3.389 1.00 0.00 S ATOM 741 CE MET A 47 -9.617 5.764 -1.758 1.00 0.00 C ATOM 0 H MET A 47 -9.088 0.477 -2.782 1.00 0.00 H new ATOM 0 HA MET A 47 -6.546 1.661 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.449 3.829 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.368 2.903 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.704 2.628 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.933 2.984 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.936 6.804 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.247 5.234 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.579 5.722 -1.427 1.00 0.00 H new ATOM 751 N PHE A 48 -7.805 2.718 0.307 1.00 0.00 N ATOM 752 CA PHE A 48 -8.412 2.996 1.597 1.00 0.00 C ATOM 753 C PHE A 48 -8.531 4.509 1.715 1.00 0.00 C ATOM 754 O PHE A 48 -7.736 5.253 1.133 1.00 0.00 O ATOM 755 CB PHE A 48 -7.584 2.458 2.778 1.00 0.00 C ATOM 756 CG PHE A 48 -6.812 1.162 2.621 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.569 1.192 1.969 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.233 -0.023 3.255 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.714 0.088 2.012 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.393 -1.153 3.259 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.121 -1.086 2.658 1.00 0.00 C ATOM 0 H PHE A 48 -7.046 3.355 0.065 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.380 2.496 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.869 3.233 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.262 2.334 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.271 2.078 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.198 -0.065 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.740 0.140 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.724 -2.071 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.460 -1.939 2.695 1.00 0.00 H new ATOM 771 N SER A 49 -9.456 4.971 2.537 1.00 0.00 N ATOM 772 CA SER A 49 -9.797 6.372 2.694 1.00 0.00 C ATOM 773 C SER A 49 -9.799 6.671 4.191 1.00 0.00 C ATOM 774 O SER A 49 -10.476 5.983 4.956 1.00 0.00 O ATOM 775 CB SER A 49 -11.112 6.664 1.956 1.00 0.00 C ATOM 776 OG SER A 49 -11.942 5.522 1.815 1.00 0.00 O ATOM 0 H SER A 49 -10.010 4.358 3.135 1.00 0.00 H new ATOM 0 HA SER A 49 -9.073 7.047 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.659 7.438 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.885 7.064 0.968 1.00 0.00 H new ATOM 0 HG SER A 49 -12.763 5.771 1.340 1.00 0.00 H new ATOM 782 N ASN A 50 -8.986 7.638 4.630 1.00 0.00 N ATOM 783 CA ASN A 50 -9.013 8.127 6.012 1.00 0.00 C ATOM 784 C ASN A 50 -10.296 8.928 6.130 1.00 0.00 C ATOM 785 O ASN A 50 -10.352 10.056 5.661 1.00 0.00 O ATOM 786 CB ASN A 50 -7.789 8.994 6.355 1.00 0.00 C ATOM 787 CG ASN A 50 -7.925 9.658 7.716 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.259 9.126 8.708 1.00 0.00 O flip ATOM 789 ND2 ASN A 50 -8.578 10.684 7.882 1.00 0.00 N flip ATOM 0 H ASN A 50 -8.294 8.101 4.041 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.978 7.296 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.891 8.376 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.661 9.759 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.094 11.092 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.604 11.129 8.799 1.00 0.00 H new ATOM 796 N GLN A 51 -11.371 8.319 6.615 1.00 0.00 N ATOM 797 CA GLN A 51 -12.684 8.929 6.804 1.00 0.00 C ATOM 798 C GLN A 51 -13.333 9.542 5.537 1.00 0.00 C ATOM 799 O GLN A 51 -14.487 9.957 5.612 1.00 0.00 O ATOM 800 CB GLN A 51 -12.622 9.894 8.010 1.00 0.00 C ATOM 801 CG GLN A 51 -11.863 9.281 9.207 1.00 0.00 C ATOM 802 CD GLN A 51 -11.936 10.135 10.459 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.391 11.235 10.522 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.570 9.640 11.507 1.00 0.00 N ATOM 0 H GLN A 51 -11.351 7.340 6.901 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.382 8.122 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.133 10.820 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.635 10.154 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.273 8.295 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.818 9.138 8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.020 8.726 11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.610 10.171 12.377 1.00 0.00 H new ATOM 813 N GLY A 52 -12.650 9.543 4.385 1.00 0.00 N ATOM 814 CA GLY A 52 -13.071 10.097 3.105 1.00 0.00 C ATOM 815 C GLY A 52 -11.908 10.349 2.128 1.00 0.00 C ATOM 816 O GLY A 52 -12.140 10.343 0.916 1.00 0.00 O ATOM 0 H GLY A 52 -11.722 9.124 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.783 9.415 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.597 11.036 3.280 1.00 0.00 H new ATOM 820 N THR A 53 -10.667 10.534 2.601 1.00 0.00 N ATOM 821 CA THR A 53 -9.544 11.047 1.795 1.00 0.00 C ATOM 822 C THR A 53 -8.860 9.995 0.899 1.00 0.00 C ATOM 823 O THR A 53 -9.444 8.957 0.576 1.00 0.00 O ATOM 824 CB THR A 53 -8.540 11.817 2.686 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.757 11.598 4.051 1.00 0.00 O ATOM 826 CG2 THR A 53 -8.598 13.309 2.392 1.00 0.00 C ATOM 0 H THR A 53 -10.409 10.330 3.566 1.00 0.00 H new ATOM 0 HA THR A 53 -9.979 11.748 1.083 1.00 0.00 H new ATOM 0 HB THR A 53 -7.549 11.433 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.098 12.103 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.885 13.833 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.347 13.484 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.603 13.680 2.591 1.00 0.00 H new ATOM 834 N PHE A 54 -7.663 10.302 0.384 1.00 0.00 N ATOM 835 CA PHE A 54 -6.931 9.545 -0.622 1.00 0.00 C ATOM 836 C PHE A 54 -5.460 9.332 -0.208 1.00 0.00 C ATOM 837 O PHE A 54 -4.580 9.150 -1.047 1.00 0.00 O ATOM 838 CB PHE A 54 -7.091 10.289 -1.956 1.00 0.00 C ATOM 839 CG PHE A 54 -6.599 9.516 -3.157 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.299 8.378 -3.596 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.434 9.930 -3.826 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.830 7.650 -4.701 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.989 9.226 -4.954 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.679 8.082 -5.383 1.00 0.00 C ATOM 0 H PHE A 54 -7.155 11.136 0.680 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.334 8.538 -0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.144 10.532 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.551 11.234 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.196 8.064 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.883 10.789 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.351 6.762 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.116 9.564 -5.492 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.324 7.531 -6.241 1.00 0.00 H new ATOM 854 N ILE A 55 -5.192 9.355 1.100 1.00 0.00 N ATOM 855 CA ILE A 55 -3.869 9.270 1.721 1.00 0.00 C ATOM 856 C ILE A 55 -3.205 7.898 1.467 1.00 0.00 C ATOM 857 O ILE A 55 -2.064 7.691 1.864 1.00 0.00 O ATOM 858 CB ILE A 55 -3.978 9.676 3.227 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.532 11.118 3.344 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.633 9.608 3.975 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.784 11.628 4.768 1.00 0.00 C ATOM 0 H ILE A 55 -5.936 9.438 1.793 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.190 9.982 1.253 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.651 8.954 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.832 11.796 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.468 11.172 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.779 9.902 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.247 8.590 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.920 10.284 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.170 12.646 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.511 10.984 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.850 11.617 5.329 1.00 0.00 H new ATOM 873 N ILE A 56 -3.860 6.931 0.815 1.00 0.00 N ATOM 874 CA ILE A 56 -3.253 5.702 0.330 1.00 0.00 C ATOM 875 C ILE A 56 -4.085 5.139 -0.836 1.00 0.00 C ATOM 876 O ILE A 56 -5.249 5.500 -1.016 1.00 0.00 O ATOM 877 CB ILE A 56 -3.119 4.745 1.531 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.367 3.449 1.184 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.477 4.489 2.202 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.625 2.935 2.413 1.00 0.00 C ATOM 0 H ILE A 56 -4.857 6.991 0.608 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.255 5.864 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.494 5.249 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.069 2.694 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.662 3.633 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.344 3.810 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.891 5.433 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.161 4.042 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.095 2.017 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.910 3.687 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.339 2.733 3.211 1.00 0.00 H new ATOM 892 N GLY A 57 -3.502 4.218 -1.604 1.00 0.00 N ATOM 893 CA GLY A 57 -4.129 3.491 -2.700 1.00 0.00 C ATOM 894 C GLY A 57 -3.050 2.680 -3.408 1.00 0.00 C ATOM 895 O GLY A 57 -1.978 3.235 -3.676 1.00 0.00 O ATOM 0 H GLY A 57 -2.528 3.947 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.913 2.834 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.602 4.184 -3.395 1.00 0.00 H new ATOM 899 N PHE A 58 -3.271 1.397 -3.696 1.00 0.00 N ATOM 900 CA PHE A 58 -2.320 0.539 -4.401 1.00 0.00 C ATOM 901 C PHE A 58 -3.058 -0.347 -5.409 1.00 0.00 C ATOM 902 O PHE A 58 -4.282 -0.479 -5.371 1.00 0.00 O ATOM 903 CB PHE A 58 -1.459 -0.293 -3.421 1.00 0.00 C ATOM 904 CG PHE A 58 -2.115 -1.079 -2.304 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.858 -2.238 -2.589 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.852 -0.736 -0.963 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.393 -3.015 -1.545 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.372 -1.523 0.079 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.165 -2.647 -0.209 1.00 0.00 C ATOM 0 H PHE A 58 -4.133 0.916 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.627 1.176 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.883 -1.000 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.745 0.389 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.019 -2.534 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.251 0.132 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.979 -3.894 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.161 -1.263 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.597 -3.226 0.594 1.00 0.00 H new ATOM 919 N SER A 59 -2.303 -1.022 -6.273 1.00 0.00 N ATOM 920 CA SER A 59 -2.762 -2.197 -6.995 1.00 0.00 C ATOM 921 C SER A 59 -1.584 -3.161 -7.140 1.00 0.00 C ATOM 922 O SER A 59 -0.420 -2.778 -6.969 1.00 0.00 O ATOM 923 CB SER A 59 -3.428 -1.840 -8.344 1.00 0.00 C ATOM 924 OG SER A 59 -3.143 -0.550 -8.855 1.00 0.00 O ATOM 0 H SER A 59 -1.342 -0.761 -6.491 1.00 0.00 H new ATOM 0 HA SER A 59 -3.552 -2.690 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.121 -2.578 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.508 -1.933 -8.229 1.00 0.00 H new ATOM 0 HG SER A 59 -3.609 -0.426 -9.708 1.00 0.00 H new ATOM 930 N THR A 60 -1.878 -4.429 -7.432 1.00 0.00 N ATOM 931 CA THR A 60 -0.869 -5.357 -7.899 1.00 0.00 C ATOM 932 C THR A 60 -0.390 -4.853 -9.260 1.00 0.00 C ATOM 933 O THR A 60 -1.142 -4.243 -10.029 1.00 0.00 O ATOM 934 CB THR A 60 -1.434 -6.788 -7.968 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.569 -6.848 -8.806 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.809 -7.327 -6.578 1.00 0.00 C ATOM 0 H THR A 60 -2.812 -4.830 -7.350 1.00 0.00 H new ATOM 0 HA THR A 60 -0.026 -5.404 -7.210 1.00 0.00 H new ATOM 0 HB THR A 60 -0.642 -7.412 -8.382 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.209 -6.154 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.203 -8.339 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.924 -7.341 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.567 -6.684 -6.131 1.00 0.00 H new ATOM 944 N SER A 61 0.866 -5.122 -9.559 1.00 0.00 N ATOM 945 CA SER A 61 1.555 -4.744 -10.769 1.00 0.00 C ATOM 946 C SER A 61 2.374 -5.969 -11.189 1.00 0.00 C ATOM 947 O SER A 61 2.470 -6.953 -10.440 1.00 0.00 O ATOM 948 CB SER A 61 2.368 -3.491 -10.432 1.00 0.00 C ATOM 949 OG SER A 61 2.956 -2.891 -11.561 1.00 0.00 O ATOM 0 H SER A 61 1.467 -5.643 -8.920 1.00 0.00 H new ATOM 0 HA SER A 61 0.921 -4.482 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.719 -2.766 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.150 -3.754 -9.720 1.00 0.00 H new ATOM 0 HG SER A 61 3.913 -3.103 -11.583 1.00 0.00 H new ATOM 955 N LYS A 62 2.917 -5.962 -12.410 1.00 0.00 N ATOM 956 CA LYS A 62 3.196 -7.209 -13.123 1.00 0.00 C ATOM 957 C LYS A 62 4.147 -8.143 -12.367 1.00 0.00 C ATOM 958 O LYS A 62 4.001 -9.355 -12.482 1.00 0.00 O ATOM 959 CB LYS A 62 3.674 -6.884 -14.548 1.00 0.00 C ATOM 960 CG LYS A 62 3.781 -8.082 -15.507 1.00 0.00 C ATOM 961 CD LYS A 62 2.467 -8.802 -15.851 1.00 0.00 C ATOM 962 CE LYS A 62 2.099 -9.883 -14.826 1.00 0.00 C ATOM 963 NZ LYS A 62 1.053 -10.807 -15.312 1.00 0.00 N ATOM 0 H LYS A 62 3.169 -5.115 -12.920 1.00 0.00 H new ATOM 0 HA LYS A 62 2.268 -7.778 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.991 -6.154 -14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.651 -6.406 -14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.234 -7.736 -16.436 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.465 -8.810 -15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.661 -8.071 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.554 -9.257 -16.838 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.992 -10.455 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.756 -9.404 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.846 -11.514 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.189 -10.270 -15.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.387 -11.288 -16.172 1.00 0.00 H new ATOM 977 N HIS A 63 5.064 -7.602 -11.561 1.00 0.00 N ATOM 978 CA HIS A 63 5.963 -8.370 -10.700 1.00 0.00 C ATOM 979 C HIS A 63 6.090 -7.770 -9.295 1.00 0.00 C ATOM 980 O HIS A 63 7.017 -8.116 -8.563 1.00 0.00 O ATOM 981 CB HIS A 63 7.324 -8.509 -11.393 1.00 0.00 C ATOM 982 CG HIS A 63 7.288 -9.560 -12.462 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.381 -10.919 -12.248 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.131 -9.347 -13.804 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.302 -11.518 -13.445 1.00 0.00 C ATOM 986 NE2 HIS A 63 7.177 -10.598 -14.423 1.00 0.00 N ATOM 0 H HIS A 63 5.204 -6.594 -11.488 1.00 0.00 H new ATOM 0 HA HIS A 63 5.536 -9.362 -10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.611 -7.553 -11.830 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.085 -8.764 -10.656 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.997 -8.393 -14.292 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.334 -12.586 -13.603 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.126 -10.781 -15.425 1.00 0.00 H new ATOM 994 N HIS A 64 5.217 -6.838 -8.909 1.00 0.00 N ATOM 995 CA HIS A 64 5.421 -6.016 -7.722 1.00 0.00 C ATOM 996 C HIS A 64 4.088 -5.451 -7.230 1.00 0.00 C ATOM 997 O HIS A 64 3.091 -5.510 -7.949 1.00 0.00 O ATOM 998 CB HIS A 64 6.434 -4.894 -8.054 1.00 0.00 C ATOM 999 CG HIS A 64 6.420 -4.384 -9.472 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.060 -4.972 -10.540 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.806 -3.254 -9.929 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.786 -4.247 -11.629 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.051 -3.170 -11.305 1.00 0.00 N ATOM 0 H HIS A 64 4.352 -6.635 -9.411 1.00 0.00 H new ATOM 0 HA HIS A 64 5.829 -6.623 -6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.246 -4.054 -7.386 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.436 -5.260 -7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.236 -2.553 -9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.110 -4.493 -12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.734 -2.435 -11.937 1.00 0.00 H new ATOM 1011 N LEU A 65 4.055 -4.868 -6.031 1.00 0.00 N ATOM 1012 CA LEU A 65 2.910 -4.117 -5.506 1.00 0.00 C ATOM 1013 C LEU A 65 3.290 -2.639 -5.524 1.00 0.00 C ATOM 1014 O LEU A 65 4.313 -2.289 -4.940 1.00 0.00 O ATOM 1015 CB LEU A 65 2.595 -4.580 -4.072 1.00 0.00 C ATOM 1016 CG LEU A 65 1.362 -3.872 -3.471 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.050 -4.460 -3.993 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.363 -3.991 -1.949 1.00 0.00 C ATOM 0 H LEU A 65 4.841 -4.905 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 65 2.020 -4.285 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.426 -5.657 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.461 -4.393 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 65 1.428 -2.827 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.790 -3.931 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.009 -4.352 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.005 -5.517 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.486 -3.486 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.338 -5.043 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.265 -3.529 -1.549 1.00 0.00 H new ATOM 1030 N SER A 66 2.532 -1.769 -6.186 1.00 0.00 N ATOM 1031 CA SER A 66 2.856 -0.338 -6.267 1.00 0.00 C ATOM 1032 C SER A 66 2.216 0.373 -5.075 1.00 0.00 C ATOM 1033 O SER A 66 1.007 0.259 -4.919 1.00 0.00 O ATOM 1034 CB SER A 66 2.361 0.278 -7.587 1.00 0.00 C ATOM 1035 OG SER A 66 2.102 -0.700 -8.580 1.00 0.00 O ATOM 0 H SER A 66 1.679 -2.029 -6.681 1.00 0.00 H new ATOM 0 HA SER A 66 3.939 -0.216 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.452 0.849 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.108 0.980 -7.959 1.00 0.00 H new ATOM 0 HG SER A 66 1.789 -0.261 -9.398 1.00 0.00 H new ATOM 1041 N VAL A 67 2.987 1.063 -4.232 1.00 0.00 N ATOM 1042 CA VAL A 67 2.508 1.679 -2.994 1.00 0.00 C ATOM 1043 C VAL A 67 3.088 3.091 -2.898 1.00 0.00 C ATOM 1044 O VAL A 67 4.276 3.289 -3.161 1.00 0.00 O ATOM 1045 CB VAL A 67 2.928 0.809 -1.781 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.539 1.394 -0.412 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.335 -0.608 -1.851 1.00 0.00 C ATOM 0 H VAL A 67 3.983 1.212 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 67 1.420 1.744 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 67 4.015 0.785 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.871 0.721 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.014 2.367 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.456 1.509 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.656 -1.180 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.247 -0.547 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.681 -1.103 -2.759 1.00 0.00 H new ATOM 1057 N SER A 68 2.270 4.061 -2.490 1.00 0.00 N ATOM 1058 CA SER A 68 2.642 5.305 -1.839 1.00 0.00 C ATOM 1059 C SER A 68 1.410 5.931 -1.167 1.00 0.00 C ATOM 1060 O SER A 68 0.292 5.504 -1.482 1.00 0.00 O ATOM 1061 CB SER A 68 3.218 6.243 -2.882 1.00 0.00 C ATOM 1062 OG SER A 68 2.248 6.766 -3.763 1.00 0.00 O ATOM 0 H SER A 68 1.261 3.987 -2.617 1.00 0.00 H new ATOM 0 HA SER A 68 3.390 5.118 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.723 7.068 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.974 5.711 -3.460 1.00 0.00 H new ATOM 0 HG SER A 68 2.694 7.188 -4.527 1.00 0.00 H new ATOM 1068 N PRO A 69 1.573 6.917 -0.265 1.00 0.00 N ATOM 1069 CA PRO A 69 0.433 7.625 0.287 1.00 0.00 C ATOM 1070 C PRO A 69 -0.135 8.685 -0.668 1.00 0.00 C ATOM 1071 O PRO A 69 -1.285 8.560 -1.070 1.00 0.00 O ATOM 1072 CB PRO A 69 0.932 8.246 1.598 1.00 0.00 C ATOM 1073 CG PRO A 69 2.434 8.410 1.375 1.00 0.00 C ATOM 1074 CD PRO A 69 2.770 7.199 0.503 1.00 0.00 C ATOM 0 HA PRO A 69 -0.400 6.942 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.450 9.203 1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.722 7.601 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.670 9.349 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.988 8.401 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.614 7.412 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.052 6.343 1.116 1.00 0.00 H new ATOM 1082 N GLU A 70 0.665 9.656 -1.129 1.00 0.00 N ATOM 1083 CA GLU A 70 0.200 10.791 -1.943 1.00 0.00 C ATOM 1084 C GLU A 70 1.333 11.193 -2.890 1.00 0.00 C ATOM 1085 O GLU A 70 1.400 10.727 -4.030 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.246 11.984 -1.064 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.567 11.744 -0.317 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.096 12.985 0.415 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.290 13.842 0.852 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.336 13.103 0.554 1.00 0.00 O ATOM 0 H GLU A 70 1.668 9.677 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.677 10.491 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.537 12.201 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.351 12.868 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.320 11.404 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.425 10.940 0.405 1.00 0.00 H new ATOM 1097 N GLU A 71 2.276 12.001 -2.403 1.00 0.00 N ATOM 1098 CA GLU A 71 3.446 12.471 -3.154 1.00 0.00 C ATOM 1099 C GLU A 71 4.679 12.655 -2.254 1.00 0.00 C ATOM 1100 O GLU A 71 5.809 12.483 -2.715 1.00 0.00 O ATOM 1101 CB GLU A 71 3.094 13.743 -3.948 1.00 0.00 C ATOM 1102 CG GLU A 71 2.605 14.894 -3.065 1.00 0.00 C ATOM 1103 CD GLU A 71 2.258 16.180 -3.828 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.087 16.143 -5.071 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.111 17.224 -3.147 1.00 0.00 O ATOM 0 H GLU A 71 2.248 12.358 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 71 3.722 11.699 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.972 14.070 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.323 13.504 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.724 14.564 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.374 15.121 -2.327 1.00 0.00 H new ATOM 1112 N ILE A 72 4.504 12.946 -0.958 1.00 0.00 N ATOM 1113 CA ILE A 72 5.619 13.068 -0.013 1.00 0.00 C ATOM 1114 C ILE A 72 6.358 11.743 0.149 1.00 0.00 C ATOM 1115 O ILE A 72 7.581 11.729 0.315 1.00 0.00 O ATOM 1116 CB ILE A 72 5.090 13.610 1.338 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.176 13.843 2.409 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.055 12.674 1.979 1.00 0.00 C ATOM 1119 CD1 ILE A 72 7.031 15.073 2.162 1.00 0.00 C ATOM 0 H ILE A 72 3.588 13.103 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 72 6.347 13.777 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 72 4.651 14.566 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.697 13.936 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.822 12.966 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.716 13.099 2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.205 12.557 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.509 11.700 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.770 15.168 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.540 14.976 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.397 15.960 2.148 1.00 0.00 H new ATOM 1131 N GLY A 73 5.609 10.642 0.025 1.00 0.00 N ATOM 1132 CA GLY A 73 6.069 9.263 0.087 1.00 0.00 C ATOM 1133 C GLY A 73 7.290 8.994 -0.786 1.00 0.00 C ATOM 1134 O GLY A 73 8.061 8.091 -0.486 1.00 0.00 O ATOM 0 H GLY A 73 4.603 10.701 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.308 9.013 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.258 8.603 -0.221 1.00 0.00 H new ATOM 1138 N ILE A 74 7.479 9.775 -1.849 1.00 0.00 N ATOM 1139 CA ILE A 74 8.514 9.584 -2.858 1.00 0.00 C ATOM 1140 C ILE A 74 9.343 10.867 -3.007 1.00 0.00 C ATOM 1141 O ILE A 74 10.178 10.993 -3.907 1.00 0.00 O ATOM 1142 CB ILE A 74 7.830 9.167 -4.170 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.758 8.068 -3.995 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.847 8.662 -5.214 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.287 6.706 -3.528 1.00 0.00 C ATOM 0 H ILE A 74 6.892 10.588 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 74 9.209 8.797 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 74 7.342 10.079 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.017 8.417 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.241 7.932 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.322 8.378 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.561 9.454 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.378 7.797 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.457 6.005 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.004 6.326 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.776 6.818 -2.560 1.00 0.00 H new ATOM 1157 N SER A 75 9.116 11.850 -2.141 1.00 0.00 N ATOM 1158 CA SER A 75 9.969 13.007 -2.050 1.00 0.00 C ATOM 1159 C SER A 75 11.132 12.641 -1.130 1.00 0.00 C ATOM 1160 O SER A 75 12.246 12.408 -1.601 1.00 0.00 O ATOM 1161 CB SER A 75 9.123 14.198 -1.580 1.00 0.00 C ATOM 1162 OG SER A 75 9.711 15.439 -1.907 1.00 0.00 O ATOM 0 H SER A 75 8.333 11.857 -1.487 1.00 0.00 H new ATOM 0 HA SER A 75 10.400 13.308 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.133 14.138 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.984 14.138 -0.501 1.00 0.00 H new ATOM 0 HG SER A 75 9.137 16.167 -1.590 1.00 0.00 H new ATOM 1168 N GLN A 76 10.867 12.514 0.174 1.00 0.00 N ATOM 1169 CA GLN A 76 11.908 12.375 1.175 1.00 0.00 C ATOM 1170 C GLN A 76 12.250 10.905 1.335 1.00 0.00 C ATOM 1171 O GLN A 76 13.422 10.535 1.207 1.00 0.00 O ATOM 1172 CB GLN A 76 11.507 13.074 2.485 1.00 0.00 C ATOM 1173 CG GLN A 76 10.062 12.855 2.967 1.00 0.00 C ATOM 1174 CD GLN A 76 9.806 13.558 4.296 1.00 0.00 C ATOM 1175 OE1 GLN A 76 10.048 14.854 4.384 1.00 0.00 O flip ATOM 1176 NE2 GLN A 76 9.396 12.943 5.269 1.00 0.00 N flip ATOM 0 H GLN A 76 9.922 12.506 0.557 1.00 0.00 H new ATOM 0 HA GLN A 76 12.818 12.881 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.183 12.738 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.667 14.145 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.366 13.229 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.871 11.787 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.210 11.943 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.240 13.430 6.151 1.00 0.00 H new ATOM 1185 N PHE A 77 11.235 10.057 1.535 1.00 0.00 N ATOM 1186 CA PHE A 77 11.439 8.637 1.807 1.00 0.00 C ATOM 1187 C PHE A 77 12.004 7.894 0.598 1.00 0.00 C ATOM 1188 O PHE A 77 12.509 6.779 0.734 1.00 0.00 O ATOM 1189 CB PHE A 77 10.158 7.942 2.259 1.00 0.00 C ATOM 1190 CG PHE A 77 9.329 8.702 3.262 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.354 9.589 2.787 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.519 8.530 4.646 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.563 10.314 3.684 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.728 9.261 5.554 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.760 10.169 5.062 1.00 0.00 C ATOM 0 H PHE A 77 10.255 10.338 1.512 1.00 0.00 H new ATOM 0 HA PHE A 77 12.165 8.601 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.543 7.744 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.421 6.976 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.213 9.713 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.267 7.841 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.802 10.985 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.859 9.130 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.171 10.753 5.753 1.00 0.00 H new ATOM 1205 N ALA A 78 11.940 8.510 -0.590 1.00 0.00 N ATOM 1206 CA ALA A 78 12.515 7.964 -1.806 1.00 0.00 C ATOM 1207 C ALA A 78 13.991 7.601 -1.642 1.00 0.00 C ATOM 1208 O ALA A 78 14.444 6.675 -2.316 1.00 0.00 O ATOM 1209 CB ALA A 78 12.356 8.979 -2.933 1.00 0.00 C ATOM 0 H ALA A 78 11.481 9.411 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 78 11.982 7.043 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.786 8.575 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.297 9.186 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.871 9.902 -2.667 1.00 0.00 H new ATOM 1215 N ASP A 79 14.731 8.308 -0.783 1.00 0.00 N ATOM 1216 CA ASP A 79 16.114 7.960 -0.486 1.00 0.00 C ATOM 1217 C ASP A 79 16.164 6.659 0.305 1.00 0.00 C ATOM 1218 O ASP A 79 16.733 5.685 -0.176 1.00 0.00 O ATOM 1219 CB ASP A 79 16.839 9.077 0.264 1.00 0.00 C ATOM 1220 CG ASP A 79 18.319 8.735 0.372 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.711 8.000 1.302 1.00 0.00 O ATOM 1222 OD2 ASP A 79 19.093 9.190 -0.506 1.00 0.00 O ATOM 0 H ASP A 79 14.389 9.128 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 79 16.634 7.824 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.711 10.025 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.410 9.201 1.258 1.00 0.00 H new ATOM 1227 N ALA A 80 15.535 6.605 1.484 1.00 0.00 N ATOM 1228 CA ALA A 80 15.611 5.442 2.355 1.00 0.00 C ATOM 1229 C ALA A 80 15.082 4.168 1.680 1.00 0.00 C ATOM 1230 O ALA A 80 15.650 3.095 1.903 1.00 0.00 O ATOM 1231 CB ALA A 80 14.884 5.737 3.669 1.00 0.00 C ATOM 0 H ALA A 80 14.964 7.365 1.854 1.00 0.00 H new ATOM 0 HA ALA A 80 16.661 5.246 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.942 4.865 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.353 6.589 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.839 5.967 3.463 1.00 0.00 H new ATOM 1237 N ILE A 81 14.043 4.276 0.839 1.00 0.00 N ATOM 1238 CA ILE A 81 13.528 3.169 0.029 1.00 0.00 C ATOM 1239 C ILE A 81 14.596 2.735 -0.989 1.00 0.00 C ATOM 1240 O ILE A 81 14.846 1.541 -1.169 1.00 0.00 O ATOM 1241 CB ILE A 81 12.226 3.578 -0.715 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.049 3.898 0.231 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.757 2.450 -1.659 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.949 4.722 -0.459 1.00 0.00 C ATOM 0 H ILE A 81 13.532 5.148 0.703 1.00 0.00 H new ATOM 0 HA ILE A 81 13.293 2.337 0.693 1.00 0.00 H new ATOM 0 HB ILE A 81 12.489 4.481 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.622 2.967 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.421 4.446 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.844 2.758 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.534 2.246 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.562 1.548 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.144 4.920 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.367 5.667 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.555 4.164 -1.309 1.00 0.00 H new ATOM 1256 N ALA A 82 15.186 3.690 -1.717 1.00 0.00 N ATOM 1257 CA ALA A 82 16.157 3.409 -2.768 1.00 0.00 C ATOM 1258 C ALA A 82 17.374 2.703 -2.205 1.00 0.00 C ATOM 1259 O ALA A 82 17.815 1.695 -2.753 1.00 0.00 O ATOM 1260 CB ALA A 82 16.624 4.711 -3.401 1.00 0.00 C ATOM 0 H ALA A 82 14.998 4.684 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 82 15.671 2.772 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.349 4.495 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.769 5.234 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.088 5.339 -2.641 1.00 0.00 H new ATOM 1266 N GLN A 83 17.882 3.245 -1.108 1.00 0.00 N ATOM 1267 CA GLN A 83 18.982 2.779 -0.315 1.00 0.00 C ATOM 1268 C GLN A 83 18.705 1.387 0.276 1.00 0.00 C ATOM 1269 O GLN A 83 19.645 0.727 0.711 1.00 0.00 O ATOM 1270 CB GLN A 83 19.139 3.865 0.747 1.00 0.00 C ATOM 1271 CG GLN A 83 20.469 3.828 1.483 1.00 0.00 C ATOM 1272 CD GLN A 83 20.530 4.721 2.726 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.268 4.394 3.653 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.785 5.812 2.823 1.00 0.00 N ATOM 0 H GLN A 83 17.488 4.104 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 83 19.899 2.637 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 83 19.025 4.840 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.332 3.767 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.678 2.800 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 83 21.259 4.129 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.173 6.082 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.823 6.382 3.668 1.00 0.00 H new ATOM 1283 N ALA A 84 17.446 0.925 0.294 1.00 0.00 N ATOM 1284 CA ALA A 84 17.062 -0.429 0.677 1.00 0.00 C ATOM 1285 C ALA A 84 16.858 -1.351 -0.543 1.00 0.00 C ATOM 1286 O ALA A 84 16.462 -2.503 -0.372 1.00 0.00 O ATOM 1287 CB ALA A 84 15.807 -0.381 1.556 1.00 0.00 C ATOM 0 H ALA A 84 16.648 1.505 0.034 1.00 0.00 H new ATOM 0 HA ALA A 84 17.883 -0.861 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.523 -1.394 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 84 16.013 0.203 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.991 0.082 1.001 1.00 0.00 H new ATOM 1293 N GLY A 85 17.124 -0.881 -1.766 1.00 0.00 N ATOM 1294 CA GLY A 85 17.194 -1.708 -2.967 1.00 0.00 C ATOM 1295 C GLY A 85 15.901 -1.765 -3.780 1.00 0.00 C ATOM 1296 O GLY A 85 15.765 -2.639 -4.640 1.00 0.00 O ATOM 0 H GLY A 85 17.300 0.107 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.992 -1.330 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.470 -2.722 -2.678 1.00 0.00 H new ATOM 1300 N TYR A 86 14.941 -0.866 -3.531 1.00 0.00 N ATOM 1301 CA TYR A 86 13.587 -0.989 -4.067 1.00 0.00 C ATOM 1302 C TYR A 86 13.280 0.110 -5.086 1.00 0.00 C ATOM 1303 O TYR A 86 12.800 1.192 -4.740 1.00 0.00 O ATOM 1304 CB TYR A 86 12.593 -1.066 -2.904 1.00 0.00 C ATOM 1305 CG TYR A 86 12.831 -2.257 -1.989 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.831 -3.560 -2.527 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.074 -2.071 -0.612 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.122 -4.663 -1.709 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.362 -3.175 0.213 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.421 -4.474 -0.341 1.00 0.00 C ATOM 1311 OH TYR A 86 13.820 -5.544 0.400 1.00 0.00 O ATOM 0 H TYR A 86 15.084 -0.037 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 86 13.492 -1.915 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.657 -0.148 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.580 -1.120 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.606 -3.710 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.039 -1.078 -0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.117 -5.659 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.538 -3.029 1.269 1.00 0.00 H new ATOM 0 HH TYR A 86 13.991 -5.258 1.322 1.00 0.00 H new ATOM 1321 N SER A 87 13.561 -0.172 -6.359 1.00 0.00 N ATOM 1322 CA SER A 87 13.468 0.709 -7.523 1.00 0.00 C ATOM 1323 C SER A 87 12.091 1.379 -7.681 1.00 0.00 C ATOM 1324 O SER A 87 11.154 0.764 -8.207 1.00 0.00 O ATOM 1325 CB SER A 87 13.831 -0.118 -8.768 1.00 0.00 C ATOM 1326 OG SER A 87 14.933 -0.966 -8.517 1.00 0.00 O ATOM 0 H SER A 87 13.887 -1.101 -6.624 1.00 0.00 H new ATOM 0 HA SER A 87 14.166 1.535 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.972 -0.715 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.065 0.551 -9.596 1.00 0.00 H new ATOM 0 HG SER A 87 15.140 -1.481 -9.325 1.00 0.00 H new ATOM 1332 N ALA A 88 11.950 2.630 -7.236 1.00 0.00 N ATOM 1333 CA ALA A 88 10.716 3.412 -7.262 1.00 0.00 C ATOM 1334 C ALA A 88 10.503 4.120 -8.613 1.00 0.00 C ATOM 1335 O ALA A 88 11.230 3.880 -9.583 1.00 0.00 O ATOM 1336 CB ALA A 88 10.762 4.409 -6.095 1.00 0.00 C ATOM 0 H ALA A 88 12.730 3.147 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 88 9.861 2.746 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.851 5.007 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.843 3.864 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.625 5.064 -6.210 1.00 0.00 H new ATOM 1342 N THR A 89 9.485 4.972 -8.692 1.00 0.00 N ATOM 1343 CA THR A 89 9.284 5.993 -9.719 1.00 0.00 C ATOM 1344 C THR A 89 9.469 7.353 -9.031 1.00 0.00 C ATOM 1345 O THR A 89 10.003 7.412 -7.921 1.00 0.00 O ATOM 1346 CB THR A 89 7.898 5.825 -10.382 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.847 6.142 -9.508 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.633 4.404 -10.847 1.00 0.00 C ATOM 0 H THR A 89 8.734 4.969 -8.002 1.00 0.00 H new ATOM 0 HA THR A 89 10.004 5.904 -10.532 1.00 0.00 H new ATOM 0 HB THR A 89 7.928 6.509 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.991 6.023 -9.969 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.645 4.349 -11.304 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.388 4.114 -11.578 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.676 3.728 -9.993 1.00 0.00 H new ATOM 1356 N LYS A 90 9.046 8.460 -9.650 1.00 0.00 N ATOM 1357 CA LYS A 90 8.829 9.696 -8.894 1.00 0.00 C ATOM 1358 C LYS A 90 7.491 9.715 -8.155 1.00 0.00 C ATOM 1359 O LYS A 90 7.349 10.485 -7.206 1.00 0.00 O ATOM 1360 CB LYS A 90 8.881 10.906 -9.823 1.00 0.00 C ATOM 1361 CG LYS A 90 10.306 11.211 -10.307 1.00 0.00 C ATOM 1362 CD LYS A 90 10.601 12.705 -10.191 1.00 0.00 C ATOM 1363 CE LYS A 90 9.607 13.576 -10.973 1.00 0.00 C ATOM 1364 NZ LYS A 90 10.040 14.983 -11.008 1.00 0.00 N ATOM 0 H LYS A 90 8.851 8.526 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 90 9.628 9.740 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.238 10.727 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.482 11.777 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.026 10.645 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.421 10.891 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.579 12.993 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.610 12.900 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.511 13.198 -11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.621 13.508 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.348 15.546 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.108 15.350 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.970 15.049 -11.469 1.00 0.00 H new ATOM 1378 N GLY A 91 6.519 8.922 -8.598 1.00 0.00 N ATOM 1379 CA GLY A 91 5.129 8.991 -8.159 1.00 0.00 C ATOM 1380 C GLY A 91 4.720 7.915 -7.152 1.00 0.00 C ATOM 1381 O GLY A 91 3.835 8.182 -6.341 1.00 0.00 O ATOM 0 H GLY A 91 6.682 8.193 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.951 9.970 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.482 8.915 -9.033 1.00 0.00 H new ATOM 1385 N LEU A 92 5.336 6.726 -7.149 1.00 0.00 N ATOM 1386 CA LEU A 92 5.126 5.669 -6.155 1.00 0.00 C ATOM 1387 C LEU A 92 6.370 4.774 -6.061 1.00 0.00 C ATOM 1388 O LEU A 92 7.293 4.910 -6.866 1.00 0.00 O ATOM 1389 CB LEU A 92 3.823 4.883 -6.421 1.00 0.00 C ATOM 1390 CG LEU A 92 3.597 4.292 -7.824 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.600 3.195 -8.192 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.173 3.738 -7.896 1.00 0.00 C ATOM 0 H LEU A 92 6.017 6.466 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 92 4.990 6.129 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.778 4.063 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.985 5.545 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 92 3.746 5.095 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.382 2.824 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.610 3.603 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.523 2.376 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.997 3.315 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.046 2.962 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.460 4.542 -7.713 1.00 0.00 H new ATOM 1404 N PHE A 93 6.429 3.845 -5.102 1.00 0.00 N ATOM 1405 CA PHE A 93 7.481 2.828 -5.040 1.00 0.00 C ATOM 1406 C PHE A 93 6.857 1.455 -5.255 1.00 0.00 C ATOM 1407 O PHE A 93 5.633 1.317 -5.241 1.00 0.00 O ATOM 1408 CB PHE A 93 8.308 2.931 -3.747 1.00 0.00 C ATOM 1409 CG PHE A 93 7.639 2.413 -2.487 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.783 1.061 -2.116 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.878 3.275 -1.676 1.00 0.00 C ATOM 1412 CE1 PHE A 93 7.136 0.573 -0.969 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.226 2.782 -0.533 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.347 1.428 -0.187 1.00 0.00 C ATOM 0 H PHE A 93 5.747 3.778 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 93 8.200 2.999 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.240 2.384 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.573 3.977 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.392 0.399 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.795 4.321 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.247 -0.464 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.632 3.445 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.832 1.044 0.682 1.00 0.00 H new ATOM 1424 N ARG A 94 7.671 0.426 -5.511 1.00 0.00 N ATOM 1425 CA ARG A 94 7.161 -0.933 -5.672 1.00 0.00 C ATOM 1426 C ARG A 94 8.198 -1.890 -5.114 1.00 0.00 C ATOM 1427 O ARG A 94 9.373 -1.737 -5.461 1.00 0.00 O ATOM 1428 CB ARG A 94 6.816 -1.310 -7.133 1.00 0.00 C ATOM 1429 CG ARG A 94 6.478 -0.190 -8.127 1.00 0.00 C ATOM 1430 CD ARG A 94 7.738 0.562 -8.571 1.00 0.00 C ATOM 1431 NE ARG A 94 7.993 0.491 -10.022 1.00 0.00 N ATOM 1432 CZ ARG A 94 7.290 1.083 -10.993 1.00 0.00 C ATOM 1433 NH1 ARG A 94 6.116 1.633 -10.726 1.00 0.00 N ATOM 1434 NH2 ARG A 94 7.767 1.141 -12.227 1.00 0.00 N ATOM 0 H ARG A 94 8.683 0.511 -5.610 1.00 0.00 H new ATOM 0 HA ARG A 94 6.218 -0.999 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.661 -1.867 -7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.968 -1.994 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.979 -0.613 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.779 0.508 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.648 1.608 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.599 0.155 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 94 8.792 -0.070 -10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.744 1.606 -9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.583 2.084 -11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.677 0.732 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.225 1.594 -12.963 1.00 0.00 H new ATOM 1448 N ILE A 95 7.788 -2.860 -4.303 1.00 0.00 N ATOM 1449 CA ILE A 95 8.640 -3.979 -3.910 1.00 0.00 C ATOM 1450 C ILE A 95 8.315 -5.116 -4.886 1.00 0.00 C ATOM 1451 O ILE A 95 7.132 -5.283 -5.208 1.00 0.00 O ATOM 1452 CB ILE A 95 8.304 -4.385 -2.452 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.270 -3.190 -1.472 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.251 -5.464 -1.907 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.487 -2.266 -1.504 1.00 0.00 C ATOM 0 H ILE A 95 6.852 -2.893 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 95 9.701 -3.730 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 95 7.297 -4.797 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.381 -2.596 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.159 -3.578 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.971 -5.711 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.181 -6.357 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.275 -5.091 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.355 -1.465 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.383 -2.836 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.593 -1.838 -2.501 1.00 0.00 H new ATOM 1467 N PRO A 96 9.289 -5.940 -5.316 1.00 0.00 N ATOM 1468 CA PRO A 96 9.006 -7.128 -6.111 1.00 0.00 C ATOM 1469 C PRO A 96 8.287 -8.169 -5.254 1.00 0.00 C ATOM 1470 O PRO A 96 8.410 -8.166 -4.029 1.00 0.00 O ATOM 1471 CB PRO A 96 10.365 -7.620 -6.618 1.00 0.00 C ATOM 1472 CG PRO A 96 11.338 -7.134 -5.546 1.00 0.00 C ATOM 1473 CD PRO A 96 10.725 -5.810 -5.092 1.00 0.00 C ATOM 0 HA PRO A 96 8.343 -6.925 -6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.388 -8.705 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.604 -7.203 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.418 -7.844 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.342 -6.996 -5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.941 -5.619 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.135 -4.974 -5.659 1.00 0.00 H new ATOM 1481 N TRP A 97 7.562 -9.100 -5.876 1.00 0.00 N ATOM 1482 CA TRP A 97 6.934 -10.198 -5.138 1.00 0.00 C ATOM 1483 C TRP A 97 7.969 -11.073 -4.418 1.00 0.00 C ATOM 1484 O TRP A 97 7.643 -11.705 -3.418 1.00 0.00 O ATOM 1485 CB TRP A 97 6.070 -11.045 -6.076 1.00 0.00 C ATOM 1486 CG TRP A 97 4.931 -10.322 -6.731 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.683 -10.271 -8.058 1.00 0.00 C ATOM 1488 CD2 TRP A 97 3.847 -9.584 -6.097 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.570 -9.482 -8.297 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.035 -9.011 -7.118 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.446 -9.373 -4.762 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.938 -8.189 -6.823 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.312 -8.602 -4.455 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.578 -7.981 -5.479 1.00 0.00 C ATOM 0 H TRP A 97 7.396 -9.117 -6.882 1.00 0.00 H new ATOM 0 HA TRP A 97 6.297 -9.756 -4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.709 -11.461 -6.854 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.667 -11.886 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.265 -10.770 -8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.196 -9.277 -9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.021 -9.812 -3.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.376 -7.721 -7.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.003 -8.486 -3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.739 -7.346 -5.235 1.00 0.00 H new ATOM 1505 N ASN A 98 9.208 -11.095 -4.916 1.00 0.00 N ATOM 1506 CA ASN A 98 10.329 -11.868 -4.394 1.00 0.00 C ATOM 1507 C ASN A 98 10.623 -11.522 -2.930 1.00 0.00 C ATOM 1508 O ASN A 98 10.523 -12.380 -2.050 1.00 0.00 O ATOM 1509 CB ASN A 98 11.559 -11.599 -5.278 1.00 0.00 C ATOM 1510 CG ASN A 98 12.683 -12.583 -5.001 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.706 -13.651 -5.595 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.628 -12.279 -4.132 1.00 0.00 N ATOM 0 H ASN A 98 9.465 -10.545 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 98 10.075 -12.928 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.272 -11.662 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.915 -10.583 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.386 -12.938 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.601 -11.385 -3.641 1.00 0.00 H new ATOM 1519 N ASP A 99 10.990 -10.263 -2.692 1.00 0.00 N ATOM 1520 CA ASP A 99 11.648 -9.773 -1.479 1.00 0.00 C ATOM 1521 C ASP A 99 10.635 -9.287 -0.439 1.00 0.00 C ATOM 1522 O ASP A 99 9.459 -9.096 -0.774 1.00 0.00 O ATOM 1523 CB ASP A 99 12.610 -8.631 -1.864 1.00 0.00 C ATOM 1524 CG ASP A 99 13.979 -9.104 -2.361 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.313 -10.307 -2.252 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.722 -8.237 -2.868 1.00 0.00 O ATOM 0 H ASP A 99 10.829 -9.520 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 99 12.202 -10.595 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.144 -8.025 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.754 -7.985 -0.998 1.00 0.00 H new ATOM 1531 N PRO A 100 11.047 -9.086 0.830 1.00 0.00 N ATOM 1532 CA PRO A 100 10.164 -8.569 1.862 1.00 0.00 C ATOM 1533 C PRO A 100 9.763 -7.129 1.556 1.00 0.00 C ATOM 1534 O PRO A 100 10.514 -6.345 0.978 1.00 0.00 O ATOM 1535 CB PRO A 100 10.923 -8.679 3.187 1.00 0.00 C ATOM 1536 CG PRO A 100 12.384 -8.681 2.757 1.00 0.00 C ATOM 1537 CD PRO A 100 12.351 -9.384 1.402 1.00 0.00 C ATOM 0 HA PRO A 100 9.236 -9.139 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.700 -7.842 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.661 -9.590 3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.781 -7.669 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.013 -9.213 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.152 -9.025 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.491 -10.459 1.516 1.00 0.00 H new ATOM 1545 N VAL A 101 8.561 -6.777 1.990 1.00 0.00 N ATOM 1546 CA VAL A 101 7.969 -5.463 1.828 1.00 0.00 C ATOM 1547 C VAL A 101 8.219 -4.697 3.124 1.00 0.00 C ATOM 1548 O VAL A 101 7.951 -5.210 4.215 1.00 0.00 O ATOM 1549 CB VAL A 101 6.495 -5.607 1.383 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.717 -6.637 2.215 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.741 -4.268 1.371 1.00 0.00 C ATOM 0 H VAL A 101 7.950 -7.427 2.484 1.00 0.00 H new ATOM 0 HA VAL A 101 8.421 -4.874 1.030 1.00 0.00 H new ATOM 0 HB VAL A 101 6.550 -5.973 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.689 -6.694 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.190 -7.614 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.719 -6.335 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.712 -4.433 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.745 -3.839 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.230 -3.581 0.681 1.00 0.00 H new ATOM 1561 N HIS A 102 8.797 -3.498 3.001 1.00 0.00 N ATOM 1562 CA HIS A 102 9.300 -2.736 4.134 1.00 0.00 C ATOM 1563 C HIS A 102 8.179 -1.970 4.822 1.00 0.00 C ATOM 1564 O HIS A 102 7.942 -0.784 4.580 1.00 0.00 O ATOM 1565 CB HIS A 102 10.492 -1.851 3.726 1.00 0.00 C ATOM 1566 CG HIS A 102 11.671 -2.002 4.646 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.881 -1.324 5.827 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.763 -2.794 4.416 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.074 -1.701 6.301 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.654 -2.587 5.472 1.00 0.00 N ATOM 0 H HIS A 102 8.927 -3.031 2.104 1.00 0.00 H new ATOM 0 HA HIS A 102 9.687 -3.433 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.795 -2.103 2.710 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.177 -0.808 3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.909 -3.456 3.575 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.511 -1.343 7.222 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.568 -3.024 5.591 1.00 0.00 H new ATOM 1578 N TYR A 103 7.484 -2.684 5.697 1.00 0.00 N ATOM 1579 CA TYR A 103 6.426 -2.170 6.546 1.00 0.00 C ATOM 1580 C TYR A 103 6.945 -1.022 7.395 1.00 0.00 C ATOM 1581 O TYR A 103 6.241 -0.046 7.616 1.00 0.00 O ATOM 1582 CB TYR A 103 5.897 -3.333 7.401 1.00 0.00 C ATOM 1583 CG TYR A 103 4.986 -4.309 6.675 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.841 -4.275 5.272 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.252 -5.254 7.417 1.00 0.00 C ATOM 1586 CE1 TYR A 103 3.938 -5.129 4.632 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.384 -6.152 6.778 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.217 -6.075 5.382 1.00 0.00 C ATOM 1589 OH TYR A 103 2.460 -6.992 4.737 1.00 0.00 O ATOM 0 H TYR A 103 7.652 -3.680 5.838 1.00 0.00 H new ATOM 0 HA TYR A 103 5.607 -1.770 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.748 -3.884 7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.355 -2.920 8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.432 -3.584 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.358 -5.288 8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.794 -5.062 3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.849 -6.895 7.351 1.00 0.00 H new ATOM 0 HH TYR A 103 3.000 -7.788 4.550 1.00 0.00 H new ATOM 1599 N GLU A 104 8.192 -1.090 7.837 1.00 0.00 N ATOM 1600 CA GLU A 104 8.800 -0.076 8.670 1.00 0.00 C ATOM 1601 C GLU A 104 9.040 1.223 7.917 1.00 0.00 C ATOM 1602 O GLU A 104 8.804 2.289 8.472 1.00 0.00 O ATOM 1603 CB GLU A 104 10.101 -0.683 9.187 1.00 0.00 C ATOM 1604 CG GLU A 104 10.832 0.116 10.263 1.00 0.00 C ATOM 1605 CD GLU A 104 11.088 -0.808 11.453 1.00 0.00 C ATOM 1606 OE1 GLU A 104 10.174 -0.953 12.289 1.00 0.00 O ATOM 1607 OE2 GLU A 104 12.110 -1.541 11.448 1.00 0.00 O ATOM 0 H GLU A 104 8.816 -1.867 7.620 1.00 0.00 H new ATOM 0 HA GLU A 104 8.138 0.198 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.883 -1.675 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.776 -0.819 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.773 0.505 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.235 0.975 10.570 1.00 0.00 H new ATOM 1614 N LEU A 105 9.462 1.158 6.651 1.00 0.00 N ATOM 1615 CA LEU A 105 9.639 2.380 5.872 1.00 0.00 C ATOM 1616 C LEU A 105 8.267 2.954 5.549 1.00 0.00 C ATOM 1617 O LEU A 105 7.996 4.140 5.733 1.00 0.00 O ATOM 1618 CB LEU A 105 10.412 2.056 4.574 1.00 0.00 C ATOM 1619 CG LEU A 105 11.447 3.106 4.152 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.833 4.480 3.882 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.561 3.213 5.192 1.00 0.00 C ATOM 0 H LEU A 105 9.682 0.294 6.156 1.00 0.00 H new ATOM 0 HA LEU A 105 10.211 3.113 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.919 1.100 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.694 1.931 3.764 1.00 0.00 H new ATOM 0 HG LEU A 105 11.868 2.762 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.617 5.178 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.099 4.399 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.344 4.844 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.285 3.963 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.135 3.504 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.059 2.248 5.293 1.00 0.00 H new ATOM 1633 N LEU A 106 7.380 2.097 5.047 1.00 0.00 N ATOM 1634 CA LEU A 106 6.122 2.551 4.492 1.00 0.00 C ATOM 1635 C LEU A 106 5.120 2.944 5.580 1.00 0.00 C ATOM 1636 O LEU A 106 4.291 3.816 5.314 1.00 0.00 O ATOM 1637 CB LEU A 106 5.672 1.599 3.379 1.00 0.00 C ATOM 1638 CG LEU A 106 4.633 0.538 3.749 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.235 1.137 3.585 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.791 -0.688 2.842 1.00 0.00 C ATOM 0 H LEU A 106 7.516 1.087 5.017 1.00 0.00 H new ATOM 0 HA LEU A 106 6.234 3.504 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.268 2.199 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.554 1.089 2.993 1.00 0.00 H new ATOM 0 HG LEU A 106 4.778 0.225 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.486 0.389 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.130 2.001 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.092 1.448 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.048 -1.438 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.648 -0.393 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.790 -1.106 2.966 1.00 0.00 H new ATOM 1652 N LYS A 107 5.219 2.428 6.820 1.00 0.00 N ATOM 1653 CA LYS A 107 4.397 2.939 7.900 1.00 0.00 C ATOM 1654 C LYS A 107 4.740 4.394 8.191 1.00 0.00 C ATOM 1655 O LYS A 107 3.813 5.155 8.433 1.00 0.00 O ATOM 1656 CB LYS A 107 4.467 2.049 9.146 1.00 0.00 C ATOM 1657 CG LYS A 107 5.680 2.227 10.049 1.00 0.00 C ATOM 1658 CD LYS A 107 5.814 1.101 11.084 1.00 0.00 C ATOM 1659 CE LYS A 107 4.709 1.162 12.151 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.190 1.725 13.435 1.00 0.00 N ATOM 0 H LYS A 107 5.852 1.672 7.082 1.00 0.00 H new ATOM 0 HA LYS A 107 3.356 2.911 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.571 2.227 9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.434 1.009 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.582 2.263 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.607 3.184 10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.775 0.137 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.789 1.168 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.883 1.768 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.318 0.159 12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.408 1.745 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.961 1.134 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.539 2.692 13.281 1.00 0.00 H new ATOM 1674 N GLN A 108 6.022 4.790 8.120 1.00 0.00 N ATOM 1675 CA GLN A 108 6.402 6.172 8.385 1.00 0.00 C ATOM 1676 C GLN A 108 5.632 7.100 7.464 1.00 0.00 C ATOM 1677 O GLN A 108 5.024 8.053 7.934 1.00 0.00 O ATOM 1678 CB GLN A 108 7.900 6.444 8.187 1.00 0.00 C ATOM 1679 CG GLN A 108 8.823 5.701 9.154 1.00 0.00 C ATOM 1680 CD GLN A 108 10.189 6.374 9.210 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.307 7.578 9.403 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.261 5.636 9.009 1.00 0.00 N ATOM 0 H GLN A 108 6.800 4.174 7.883 1.00 0.00 H new ATOM 0 HA GLN A 108 6.165 6.354 9.433 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.172 6.172 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.077 7.515 8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.379 5.683 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.934 4.664 8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.167 4.633 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.185 6.067 9.014 1.00 0.00 H new ATOM 1691 N MET A 109 5.664 6.839 6.156 1.00 0.00 N ATOM 1692 CA MET A 109 5.075 7.779 5.218 1.00 0.00 C ATOM 1693 C MET A 109 3.556 7.830 5.327 1.00 0.00 C ATOM 1694 O MET A 109 3.011 8.918 5.187 1.00 0.00 O ATOM 1695 CB MET A 109 5.566 7.538 3.792 1.00 0.00 C ATOM 1696 CG MET A 109 5.197 6.171 3.217 1.00 0.00 C ATOM 1697 SD MET A 109 5.958 5.843 1.609 1.00 0.00 S ATOM 1698 CE MET A 109 7.673 5.560 2.142 1.00 0.00 C ATOM 0 H MET A 109 6.080 6.008 5.737 1.00 0.00 H new ATOM 0 HA MET A 109 5.423 8.774 5.497 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.156 8.313 3.144 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.650 7.646 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.500 5.395 3.920 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.113 6.106 3.119 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.347 6.167 1.537 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.778 5.837 3.191 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.923 4.506 2.018 1.00 0.00 H new ATOM 1708 N ILE A 110 2.843 6.727 5.576 1.00 0.00 N ATOM 1709 CA ILE A 110 1.392 6.843 5.735 1.00 0.00 C ATOM 1710 C ILE A 110 1.083 7.579 7.049 1.00 0.00 C ATOM 1711 O ILE A 110 0.311 8.532 7.034 1.00 0.00 O ATOM 1712 CB ILE A 110 0.697 5.479 5.520 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.820 5.603 5.264 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.003 4.447 6.608 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.692 5.735 6.515 1.00 0.00 C ATOM 0 H ILE A 110 3.225 5.786 5.668 1.00 0.00 H new ATOM 0 HA ILE A 110 0.954 7.464 4.954 1.00 0.00 H new ATOM 0 HB ILE A 110 1.143 5.093 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.993 6.471 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.149 4.727 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.479 3.518 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.076 4.260 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.672 4.828 7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.739 5.816 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.558 4.856 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.401 6.627 7.069 1.00 0.00 H new ATOM 1727 N GLU A 111 1.730 7.202 8.157 1.00 0.00 N ATOM 1728 CA GLU A 111 1.508 7.801 9.473 1.00 0.00 C ATOM 1729 C GLU A 111 1.816 9.293 9.435 1.00 0.00 C ATOM 1730 O GLU A 111 1.002 10.089 9.890 1.00 0.00 O ATOM 1731 CB GLU A 111 2.374 7.105 10.535 1.00 0.00 C ATOM 1732 CG GLU A 111 1.895 5.680 10.843 1.00 0.00 C ATOM 1733 CD GLU A 111 0.872 5.633 11.980 1.00 0.00 C ATOM 1734 OE1 GLU A 111 -0.175 6.304 11.887 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.115 4.925 12.990 1.00 0.00 O ATOM 0 H GLU A 111 2.432 6.462 8.163 1.00 0.00 H new ATOM 0 HA GLU A 111 0.460 7.668 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.408 7.071 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.363 7.695 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.454 5.247 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.753 5.062 11.106 1.00 0.00 H new ATOM 1742 N PHE A 112 2.956 9.689 8.861 1.00 0.00 N ATOM 1743 CA PHE A 112 3.314 11.090 8.733 1.00 0.00 C ATOM 1744 C PHE A 112 2.293 11.830 7.872 1.00 0.00 C ATOM 1745 O PHE A 112 1.923 12.948 8.212 1.00 0.00 O ATOM 1746 CB PHE A 112 4.736 11.276 8.182 1.00 0.00 C ATOM 1747 CG PHE A 112 5.110 12.737 7.965 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.887 13.687 8.980 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.625 13.172 6.728 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.178 15.042 8.753 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.908 14.528 6.499 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.686 15.470 7.516 1.00 0.00 C ATOM 0 H PHE A 112 3.648 9.046 8.477 1.00 0.00 H new ATOM 0 HA PHE A 112 3.302 11.521 9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.448 10.824 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.825 10.741 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.492 13.373 9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.805 12.451 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.009 15.763 9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.296 14.846 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.904 16.514 7.348 1.00 0.00 H new ATOM 1762 N ASN A 113 1.806 11.229 6.783 1.00 0.00 N ATOM 1763 CA ASN A 113 0.875 11.921 5.895 1.00 0.00 C ATOM 1764 C ASN A 113 -0.463 12.198 6.594 1.00 0.00 C ATOM 1765 O ASN A 113 -1.148 13.130 6.197 1.00 0.00 O ATOM 1766 CB ASN A 113 0.666 11.116 4.604 1.00 0.00 C ATOM 1767 CG ASN A 113 0.323 11.947 3.370 1.00 0.00 C ATOM 1768 OD1 ASN A 113 0.954 11.745 2.338 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.625 12.863 3.423 1.00 0.00 N ATOM 0 H ASN A 113 2.038 10.277 6.499 1.00 0.00 H new ATOM 0 HA ASN A 113 1.312 12.885 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.572 10.547 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.133 10.394 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.844 13.418 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.139 13.016 4.291 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.835 11.420 7.618 1.00 0.00 N ATOM 1777 CA ILE A 114 -1.967 11.683 8.514 1.00 0.00 C ATOM 1778 C ILE A 114 -1.548 12.731 9.548 1.00 0.00 C ATOM 1779 O ILE A 114 -2.253 13.712 9.767 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.397 10.357 9.190 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.889 9.314 8.151 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.510 10.539 10.243 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.167 7.909 8.716 1.00 0.00 C ATOM 0 H ILE A 114 -0.339 10.560 7.853 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.819 12.072 7.957 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.497 10.000 9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.801 9.689 7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.142 9.230 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.763 9.571 10.676 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.161 11.209 11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.394 10.966 9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.505 7.254 7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.254 7.505 9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.939 7.971 9.483 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.398 12.537 10.196 1.00 0.00 N ATOM 1796 CA GLN A 115 0.064 13.340 11.329 1.00 0.00 C ATOM 1797 C GLN A 115 0.246 14.805 10.920 1.00 0.00 C ATOM 1798 O GLN A 115 0.158 15.732 11.727 1.00 0.00 O ATOM 1799 CB GLN A 115 1.402 12.807 11.794 1.00 0.00 C ATOM 1800 CG GLN A 115 1.351 11.602 12.732 1.00 0.00 C ATOM 1801 CD GLN A 115 1.393 11.953 14.215 1.00 0.00 C ATOM 1802 OE1 GLN A 115 0.424 12.460 14.770 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.490 11.662 14.902 1.00 0.00 N ATOM 0 H GLN A 115 0.255 11.797 9.940 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.680 13.280 12.123 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.988 12.535 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.937 13.612 12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.440 11.039 12.531 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.189 10.944 12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.290 11.240 14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.533 11.860 15.902 1.00 0.00 H new ATOM 1812 N ASP A 116 0.558 14.992 9.646 1.00 0.00 N ATOM 1813 CA ASP A 116 0.785 16.307 9.043 1.00 0.00 C ATOM 1814 C ASP A 116 -0.516 17.002 8.631 1.00 0.00 C ATOM 1815 O ASP A 116 -0.548 18.225 8.450 1.00 0.00 O ATOM 1816 CB ASP A 116 1.710 16.199 7.832 1.00 0.00 C ATOM 1817 CG ASP A 116 2.386 17.543 7.584 1.00 0.00 C ATOM 1818 OD1 ASP A 116 3.208 17.953 8.435 1.00 0.00 O ATOM 1819 OD2 ASP A 116 2.120 18.195 6.548 1.00 0.00 O ATOM 0 H ASP A 116 0.664 14.222 8.985 1.00 0.00 H new ATOM 0 HA ASP A 116 1.258 16.917 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.462 15.428 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.141 15.899 6.952 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.599 16.232 8.486 1.00 0.00 N ATOM 1825 CA LYS A 117 -2.929 16.687 8.083 1.00 0.00 C ATOM 1826 C LYS A 117 -3.822 16.995 9.283 1.00 0.00 C ATOM 1827 O LYS A 117 -4.961 17.430 9.092 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.578 15.619 7.183 1.00 0.00 C ATOM 1829 CG LYS A 117 -2.929 15.506 5.795 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.526 16.487 4.783 1.00 0.00 C ATOM 1831 CE LYS A 117 -2.953 16.267 3.375 1.00 0.00 C ATOM 1832 NZ LYS A 117 -3.717 17.027 2.365 1.00 0.00 N ATOM 0 H LYS A 117 -1.568 15.227 8.655 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.817 17.619 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.520 14.652 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.636 15.852 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.858 15.688 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.050 14.488 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.609 16.370 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.323 17.509 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.908 16.575 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.978 15.205 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.309 16.860 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.709 16.715 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.672 18.042 2.587 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.306 16.794 10.486 1.00 0.00 N ATOM 1847 CA GLU A 118 -3.871 17.120 11.772 1.00 0.00 C ATOM 1848 C GLU A 118 -4.429 18.534 11.771 1.00 0.00 C ATOM 1849 O GLU A 118 -5.534 18.725 12.316 1.00 0.00 O ATOM 1850 CB GLU A 118 -2.724 16.981 12.775 1.00 0.00 C ATOM 1851 CG GLU A 118 -2.527 15.572 13.349 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.547 15.241 14.434 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.370 15.707 15.581 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -4.514 14.504 14.120 1.00 0.00 O ATOM 0 H GLU A 118 -2.391 16.355 10.588 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.702 16.462 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.799 17.291 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.898 17.671 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.605 14.840 12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.521 15.487 13.761 1.00 0.00 H new