USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.6!) USER MOD Single : A 43 MET CE :methyl -156:sc= -0.117 (180deg=-0.829) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -170:sc= -0.598! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.4! C(o=-3.4!,f=-11!) USER MOD Single : A 66 SER OG : rot 40:sc= 0.864 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -98:sc= 1.28 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 109 SER OG : rot 72:sc= 0.998 USER MOD Single : A 110 SER OG : rot -90:sc= -4.49! USER MOD Single : A 111 THR OG1 : rot -104:sc= 0.0985 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 126 SER OG : rot 112:sc= -0.192 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -3.769 -18.648 -9.971 1.00 0.00 N ATOM 2 CA SER A 35 -3.362 -17.229 -10.182 1.00 0.00 C ATOM 3 C SER A 35 -2.810 -16.648 -8.879 1.00 0.00 C ATOM 4 O SER A 35 -3.499 -16.576 -7.882 1.00 0.00 O ATOM 5 CB SER A 35 -4.643 -16.506 -10.591 1.00 0.00 C ATOM 6 OG SER A 35 -4.345 -15.573 -11.621 1.00 0.00 O ATOM 0 HA SER A 35 -2.581 -17.127 -10.936 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.385 -17.225 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.075 -15.992 -9.732 1.00 0.00 H new ATOM 0 HG SER A 35 -5.165 -15.108 -11.888 1.00 0.00 H new ATOM 12 N ASN A 36 -1.571 -16.237 -8.874 1.00 0.00 N ATOM 13 CA ASN A 36 -0.988 -15.668 -7.626 1.00 0.00 C ATOM 14 C ASN A 36 -0.310 -14.324 -7.912 1.00 0.00 C ATOM 15 O ASN A 36 -0.940 -13.291 -7.869 1.00 0.00 O ATOM 16 CB ASN A 36 0.037 -16.703 -7.160 1.00 0.00 C ATOM 17 CG ASN A 36 -0.642 -17.716 -6.238 1.00 0.00 C ATOM 18 OD1 ASN A 36 -1.542 -17.374 -5.496 1.00 0.00 O ATOM 19 ND2 ASN A 36 -0.245 -18.959 -6.252 1.00 0.00 N ATOM 0 H ASN A 36 -0.941 -16.270 -9.675 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.748 -15.477 -6.868 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.471 -17.213 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.855 -16.209 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.690 -19.643 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.510 -19.246 -6.875 1.00 0.00 H new ATOM 26 N ALA A 37 0.974 -14.344 -8.185 1.00 0.00 N ATOM 27 CA ALA A 37 1.732 -13.088 -8.463 1.00 0.00 C ATOM 28 C ALA A 37 0.831 -11.989 -9.040 1.00 0.00 C ATOM 29 O ALA A 37 0.134 -12.190 -10.015 1.00 0.00 O ATOM 30 CB ALA A 37 2.794 -13.493 -9.486 1.00 0.00 C ATOM 0 H ALA A 37 1.535 -15.195 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 37 2.158 -12.674 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.398 -12.624 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.434 -14.266 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.308 -13.878 -10.382 1.00 0.00 H new ATOM 36 N VAL A 38 0.851 -10.828 -8.443 1.00 0.00 N ATOM 37 CA VAL A 38 0.006 -9.708 -8.950 1.00 0.00 C ATOM 38 C VAL A 38 0.896 -8.609 -9.536 1.00 0.00 C ATOM 39 O VAL A 38 2.107 -8.666 -9.442 1.00 0.00 O ATOM 40 CB VAL A 38 -0.738 -9.183 -7.722 1.00 0.00 C ATOM 41 CG1 VAL A 38 -1.467 -10.335 -7.029 1.00 0.00 C ATOM 42 CG2 VAL A 38 0.265 -8.558 -6.750 1.00 0.00 C ATOM 0 H VAL A 38 1.417 -10.606 -7.624 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.678 -10.029 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.464 -8.432 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.996 -9.957 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.182 -10.782 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.744 -11.089 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.263 -8.183 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.991 -9.311 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.783 -7.734 -7.241 1.00 0.00 H new ATOM 52 N VAL A 39 0.312 -7.606 -10.132 1.00 0.00 N ATOM 53 CA VAL A 39 1.139 -6.508 -10.708 1.00 0.00 C ATOM 54 C VAL A 39 0.436 -5.167 -10.558 1.00 0.00 C ATOM 55 O VAL A 39 -0.666 -4.981 -11.029 1.00 0.00 O ATOM 56 CB VAL A 39 1.286 -6.823 -12.199 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.086 -6.741 -12.877 1.00 0.00 C ATOM 58 CG2 VAL A 39 2.213 -5.785 -12.843 1.00 0.00 C ATOM 0 H VAL A 39 -0.696 -7.499 -10.245 1.00 0.00 H new ATOM 0 HA VAL A 39 2.100 -6.444 -10.198 1.00 0.00 H new ATOM 0 HB VAL A 39 1.700 -7.824 -12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.019 -6.965 -13.939 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.762 -7.463 -12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.492 -5.737 -12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.322 -6.004 -13.905 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.786 -4.790 -12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.191 -5.823 -12.363 1.00 0.00 H new ATOM 68 N LEU A 40 1.080 -4.209 -9.962 1.00 0.00 N ATOM 69 CA LEU A 40 0.459 -2.874 -9.866 1.00 0.00 C ATOM 70 C LEU A 40 0.961 -2.097 -11.079 1.00 0.00 C ATOM 71 O LEU A 40 1.917 -2.505 -11.709 1.00 0.00 O ATOM 72 CB LEU A 40 0.972 -2.274 -8.559 1.00 0.00 C ATOM 73 CG LEU A 40 0.682 -0.779 -8.552 1.00 0.00 C ATOM 74 CD1 LEU A 40 -0.825 -0.552 -8.688 1.00 0.00 C ATOM 75 CD2 LEU A 40 1.172 -0.168 -7.238 1.00 0.00 C ATOM 0 H LEU A 40 2.005 -4.296 -9.540 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.631 -2.872 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.489 -2.755 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.043 -2.450 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 40 1.199 -0.306 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.034 0.518 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.175 -0.986 -9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.341 -1.026 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.964 0.902 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.656 -0.641 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.246 -0.329 -7.140 1.00 0.00 H new ATOM 87 N VAL A 41 0.347 -1.023 -11.455 1.00 0.00 N ATOM 88 CA VAL A 41 0.853 -0.327 -12.666 1.00 0.00 C ATOM 89 C VAL A 41 0.610 1.176 -12.599 1.00 0.00 C ATOM 90 O VAL A 41 -0.501 1.627 -12.465 1.00 0.00 O ATOM 91 CB VAL A 41 0.054 -0.961 -13.810 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.043 -0.044 -15.029 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.685 -2.305 -14.185 1.00 0.00 C ATOM 0 H VAL A 41 -0.461 -0.602 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 41 1.931 -0.437 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.974 -1.113 -13.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.529 -0.511 -15.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.416 0.909 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.066 0.127 -15.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.119 -2.758 -14.999 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.715 -2.147 -14.504 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.671 -2.968 -13.320 1.00 0.00 H new ATOM 103 N LEU A 42 1.644 1.958 -12.717 1.00 0.00 N ATOM 104 CA LEU A 42 1.454 3.415 -12.700 1.00 0.00 C ATOM 105 C LEU A 42 2.100 4.039 -13.943 1.00 0.00 C ATOM 106 O LEU A 42 2.994 3.470 -14.534 1.00 0.00 O ATOM 107 CB LEU A 42 2.121 3.915 -11.433 1.00 0.00 C ATOM 108 CG LEU A 42 1.186 4.919 -10.770 1.00 0.00 C ATOM 109 CD1 LEU A 42 1.090 4.617 -9.277 1.00 0.00 C ATOM 110 CD2 LEU A 42 1.726 6.332 -10.987 1.00 0.00 C ATOM 0 H LEU A 42 2.608 1.643 -12.824 1.00 0.00 H new ATOM 0 HA LEU A 42 0.399 3.687 -12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.327 3.084 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.078 4.382 -11.666 1.00 0.00 H new ATOM 0 HG LEU A 42 0.192 4.844 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.421 5.335 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.700 3.609 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.080 4.691 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.059 7.053 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.720 6.413 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.785 6.539 -12.056 1.00 0.00 H new ATOM 122 N MET A 43 1.657 5.197 -14.351 1.00 0.00 N ATOM 123 CA MET A 43 2.258 5.835 -15.562 1.00 0.00 C ATOM 124 C MET A 43 3.322 6.853 -15.149 1.00 0.00 C ATOM 125 O MET A 43 3.536 7.848 -15.812 1.00 0.00 O ATOM 126 CB MET A 43 1.095 6.528 -16.271 1.00 0.00 C ATOM 127 CG MET A 43 0.643 7.738 -15.450 1.00 0.00 C ATOM 128 SD MET A 43 -1.166 7.821 -15.444 1.00 0.00 S ATOM 129 CE MET A 43 -1.355 8.837 -16.931 1.00 0.00 C ATOM 0 H MET A 43 0.910 5.728 -13.903 1.00 0.00 H new ATOM 0 HA MET A 43 2.749 5.108 -16.209 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.401 6.846 -17.268 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.266 5.832 -16.398 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.018 7.659 -14.429 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.058 8.653 -15.872 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.309 9.363 -16.894 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.543 9.562 -16.982 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.327 8.198 -17.814 1.00 0.00 H new ATOM 139 N LYS A 44 3.985 6.609 -14.056 1.00 0.00 N ATOM 140 CA LYS A 44 5.036 7.562 -13.589 1.00 0.00 C ATOM 141 C LYS A 44 6.391 7.232 -14.216 1.00 0.00 C ATOM 142 O LYS A 44 6.760 7.780 -15.234 1.00 0.00 O ATOM 143 CB LYS A 44 5.083 7.395 -12.071 1.00 0.00 C ATOM 144 CG LYS A 44 4.172 8.437 -11.422 1.00 0.00 C ATOM 145 CD LYS A 44 4.538 9.832 -11.941 1.00 0.00 C ATOM 146 CE LYS A 44 4.224 10.879 -10.869 1.00 0.00 C ATOM 147 NZ LYS A 44 5.336 11.866 -10.958 1.00 0.00 N ATOM 0 H LYS A 44 3.847 5.791 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 44 4.809 8.588 -13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.762 6.391 -11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.105 7.514 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.129 8.215 -11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.277 8.402 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.596 9.868 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.979 10.050 -12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.260 11.353 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.175 10.427 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.191 12.616 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.241 11.387 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.353 12.285 -11.910 1.00 0.00 H new ATOM 161 N SER A 45 7.140 6.347 -13.609 1.00 0.00 N ATOM 162 CA SER A 45 8.481 5.978 -14.165 1.00 0.00 C ATOM 163 C SER A 45 9.492 7.106 -13.937 1.00 0.00 C ATOM 164 O SER A 45 9.381 8.183 -14.490 1.00 0.00 O ATOM 165 CB SER A 45 8.259 5.744 -15.660 1.00 0.00 C ATOM 166 OG SER A 45 8.683 4.430 -15.996 1.00 0.00 O ATOM 0 H SER A 45 6.882 5.862 -12.750 1.00 0.00 H new ATOM 0 HA SER A 45 8.887 5.092 -13.677 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.205 5.873 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.816 6.478 -16.242 1.00 0.00 H new ATOM 0 HG SER A 45 8.693 4.329 -16.971 1.00 0.00 H new ATOM 172 N ASP A 46 10.476 6.855 -13.117 1.00 0.00 N ATOM 173 CA ASP A 46 11.515 7.886 -12.821 1.00 0.00 C ATOM 174 C ASP A 46 12.302 7.473 -11.574 1.00 0.00 C ATOM 175 O ASP A 46 13.359 6.880 -11.662 1.00 0.00 O ATOM 176 CB ASP A 46 10.745 9.183 -12.559 1.00 0.00 C ATOM 177 CG ASP A 46 10.992 10.163 -13.706 1.00 0.00 C ATOM 178 OD1 ASP A 46 12.140 10.517 -13.919 1.00 0.00 O ATOM 179 OD2 ASP A 46 10.029 10.544 -14.352 1.00 0.00 O ATOM 0 H ASP A 46 10.607 5.967 -12.632 1.00 0.00 H new ATOM 0 HA ASP A 46 12.226 8.003 -13.639 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.679 8.974 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.065 9.624 -11.615 1.00 0.00 H new ATOM 184 N GLU A 47 11.790 7.778 -10.413 1.00 0.00 N ATOM 185 CA GLU A 47 12.501 7.399 -9.158 1.00 0.00 C ATOM 186 C GLU A 47 11.952 6.079 -8.624 1.00 0.00 C ATOM 187 O GLU A 47 12.366 5.602 -7.587 1.00 0.00 O ATOM 188 CB GLU A 47 12.201 8.523 -8.161 1.00 0.00 C ATOM 189 CG GLU A 47 12.182 9.868 -8.882 1.00 0.00 C ATOM 190 CD GLU A 47 12.525 10.986 -7.894 1.00 0.00 C ATOM 191 OE1 GLU A 47 11.844 11.090 -6.887 1.00 0.00 O ATOM 192 OE2 GLU A 47 13.462 11.720 -8.162 1.00 0.00 O ATOM 0 H GLU A 47 10.909 8.274 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 47 13.571 7.272 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.240 8.346 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.955 8.533 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.899 9.862 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.199 10.044 -9.319 1.00 0.00 H new ATOM 199 N ILE A 48 11.011 5.489 -9.309 1.00 0.00 N ATOM 200 CA ILE A 48 10.439 4.221 -8.812 1.00 0.00 C ATOM 201 C ILE A 48 11.494 3.142 -8.738 1.00 0.00 C ATOM 202 O ILE A 48 11.850 2.705 -7.670 1.00 0.00 O ATOM 203 CB ILE A 48 9.292 3.832 -9.716 1.00 0.00 C ATOM 204 CG1 ILE A 48 9.315 4.520 -11.084 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.020 4.194 -8.973 1.00 0.00 C ATOM 206 CD1 ILE A 48 8.532 5.824 -11.005 1.00 0.00 C ATOM 0 H ILE A 48 10.620 5.833 -10.186 1.00 0.00 H new ATOM 0 HA ILE A 48 10.065 4.351 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 48 9.365 2.767 -9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.343 4.718 -11.387 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.880 3.866 -11.840 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.155 3.933 -9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.979 3.645 -8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.010 5.265 -8.769 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.546 6.316 -11.977 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.501 5.613 -10.720 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.987 6.477 -10.261 1.00 0.00 H new ATOM 218 N ASP A 49 12.010 2.709 -9.840 1.00 0.00 N ATOM 219 CA ASP A 49 13.069 1.657 -9.778 1.00 0.00 C ATOM 220 C ASP A 49 14.004 1.969 -8.600 1.00 0.00 C ATOM 221 O ASP A 49 14.496 1.087 -7.920 1.00 0.00 O ATOM 222 CB ASP A 49 13.817 1.751 -11.109 1.00 0.00 C ATOM 223 CG ASP A 49 14.394 0.381 -11.468 1.00 0.00 C ATOM 224 OD1 ASP A 49 14.890 -0.284 -10.575 1.00 0.00 O ATOM 225 OD2 ASP A 49 14.331 0.020 -12.632 1.00 0.00 O ATOM 0 H ASP A 49 11.756 3.026 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 49 12.667 0.655 -9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.142 2.090 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.618 2.487 -11.037 1.00 0.00 H new ATOM 230 N ALA A 50 14.204 3.234 -8.335 1.00 0.00 N ATOM 231 CA ALA A 50 15.063 3.641 -7.188 1.00 0.00 C ATOM 232 C ALA A 50 14.282 3.514 -5.887 1.00 0.00 C ATOM 233 O ALA A 50 14.699 2.822 -4.981 1.00 0.00 O ATOM 234 CB ALA A 50 15.439 5.097 -7.461 1.00 0.00 C ATOM 0 H ALA A 50 13.805 4.006 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 50 15.950 3.015 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.074 5.466 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.978 5.163 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.534 5.702 -7.516 1.00 0.00 H new ATOM 240 N ILE A 51 13.146 4.142 -5.772 1.00 0.00 N ATOM 241 CA ILE A 51 12.393 3.988 -4.532 1.00 0.00 C ATOM 242 C ILE A 51 11.888 2.552 -4.456 1.00 0.00 C ATOM 243 O ILE A 51 12.101 1.907 -3.485 1.00 0.00 O ATOM 244 CB ILE A 51 11.280 5.004 -4.614 1.00 0.00 C ATOM 245 CG1 ILE A 51 10.464 4.791 -5.870 1.00 0.00 C ATOM 246 CG2 ILE A 51 11.869 6.417 -4.599 1.00 0.00 C ATOM 247 CD1 ILE A 51 9.987 6.137 -6.444 1.00 0.00 C ATOM 0 H ILE A 51 12.724 4.743 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 51 12.977 4.161 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 51 10.624 4.881 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.063 4.265 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.604 4.159 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.063 7.148 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.429 6.568 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.536 6.542 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.402 5.961 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.370 6.649 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.851 6.756 -6.686 1.00 0.00 H new ATOM 259 N ILE A 52 11.286 2.008 -5.485 1.00 0.00 N ATOM 260 CA ILE A 52 10.865 0.576 -5.401 1.00 0.00 C ATOM 261 C ILE A 52 11.995 -0.221 -4.765 1.00 0.00 C ATOM 262 O ILE A 52 11.797 -1.081 -3.938 1.00 0.00 O ATOM 263 CB ILE A 52 10.681 0.111 -6.826 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.576 0.921 -7.515 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.309 -1.371 -6.805 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.255 0.747 -6.764 1.00 0.00 C ATOM 0 H ILE A 52 11.071 2.482 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 52 9.955 0.449 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 52 11.606 0.258 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.851 1.975 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.463 0.592 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.172 -1.726 -7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.107 -1.940 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.383 -1.506 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.476 1.326 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.976 -0.307 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.370 1.098 -5.739 1.00 0.00 H new ATOM 278 N GLU A 53 13.197 0.074 -5.142 1.00 0.00 N ATOM 279 CA GLU A 53 14.336 -0.653 -4.549 1.00 0.00 C ATOM 280 C GLU A 53 14.431 -0.347 -3.051 1.00 0.00 C ATOM 281 O GLU A 53 14.290 -1.222 -2.221 1.00 0.00 O ATOM 282 CB GLU A 53 15.562 -0.130 -5.288 1.00 0.00 C ATOM 283 CG GLU A 53 16.835 -0.658 -4.620 1.00 0.00 C ATOM 284 CD GLU A 53 17.983 0.326 -4.858 1.00 0.00 C ATOM 285 OE1 GLU A 53 17.733 1.364 -5.448 1.00 0.00 O ATOM 286 OE2 GLU A 53 19.091 0.026 -4.445 1.00 0.00 O ATOM 0 H GLU A 53 13.439 0.784 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 53 14.237 -1.734 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.531 -0.444 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.563 0.960 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.670 -0.789 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.091 -1.637 -5.025 1.00 0.00 H new ATOM 293 N ASP A 54 14.664 0.890 -2.701 1.00 0.00 N ATOM 294 CA ASP A 54 14.788 1.248 -1.247 1.00 0.00 C ATOM 295 C ASP A 54 13.419 1.327 -0.568 1.00 0.00 C ATOM 296 O ASP A 54 13.308 1.422 0.639 1.00 0.00 O ATOM 297 CB ASP A 54 15.445 2.621 -1.256 1.00 0.00 C ATOM 298 CG ASP A 54 15.695 3.084 0.181 1.00 0.00 C ATOM 299 OD1 ASP A 54 14.737 3.457 0.837 1.00 0.00 O ATOM 300 OD2 ASP A 54 16.841 3.059 0.600 1.00 0.00 O ATOM 0 H ASP A 54 14.774 1.668 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 54 15.358 0.501 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.386 2.580 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.806 3.337 -1.773 1.00 0.00 H new ATOM 305 N ILE A 55 12.388 1.319 -1.346 1.00 0.00 N ATOM 306 CA ILE A 55 11.003 1.425 -0.809 1.00 0.00 C ATOM 307 C ILE A 55 10.273 0.084 -0.904 1.00 0.00 C ATOM 308 O ILE A 55 9.422 -0.235 -0.097 1.00 0.00 O ATOM 309 CB ILE A 55 10.347 2.483 -1.707 1.00 0.00 C ATOM 310 CG1 ILE A 55 9.307 3.267 -0.930 1.00 0.00 C ATOM 311 CG2 ILE A 55 9.649 1.824 -2.878 1.00 0.00 C ATOM 312 CD1 ILE A 55 9.984 4.040 0.202 1.00 0.00 C ATOM 0 H ILE A 55 12.441 1.241 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 55 10.976 1.696 0.246 1.00 0.00 H new ATOM 0 HB ILE A 55 11.134 3.148 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.787 3.957 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.556 2.590 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.189 2.588 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.375 1.262 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.879 1.147 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.234 4.602 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.484 3.341 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.718 4.729 -0.216 1.00 0.00 H new ATOM 324 N VAL A 56 10.566 -0.672 -1.919 1.00 0.00 N ATOM 325 CA VAL A 56 9.859 -1.962 -2.113 1.00 0.00 C ATOM 326 C VAL A 56 10.815 -3.165 -2.035 1.00 0.00 C ATOM 327 O VAL A 56 10.512 -4.149 -1.395 1.00 0.00 O ATOM 328 CB VAL A 56 9.213 -1.815 -3.494 1.00 0.00 C ATOM 329 CG1 VAL A 56 8.988 -3.184 -4.120 1.00 0.00 C ATOM 330 CG2 VAL A 56 7.870 -1.099 -3.339 1.00 0.00 C ATOM 0 H VAL A 56 11.268 -0.451 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 56 9.126 -2.161 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 56 9.874 -1.238 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.528 -3.064 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.944 -3.697 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.330 -3.773 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.401 -0.989 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.219 -1.683 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.031 -0.114 -2.901 1.00 0.00 H new ATOM 340 N LEU A 57 11.961 -3.128 -2.666 1.00 0.00 N ATOM 341 CA LEU A 57 12.855 -4.322 -2.565 1.00 0.00 C ATOM 342 C LEU A 57 13.099 -4.638 -1.084 1.00 0.00 C ATOM 343 O LEU A 57 13.300 -5.773 -0.703 1.00 0.00 O ATOM 344 CB LEU A 57 14.155 -3.942 -3.294 1.00 0.00 C ATOM 345 CG LEU A 57 15.376 -4.515 -2.562 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.569 -4.560 -3.515 1.00 0.00 C ATOM 347 CD2 LEU A 57 15.718 -3.625 -1.365 1.00 0.00 C ATOM 0 H LEU A 57 12.309 -2.352 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 57 12.423 -5.215 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.128 -4.319 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.239 -2.857 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 57 15.149 -5.523 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.436 -4.967 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.329 -5.193 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.795 -3.552 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.585 -4.032 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.944 -2.617 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.869 -3.591 -0.683 1.00 0.00 H new ATOM 359 N LYS A 58 13.079 -3.634 -0.252 1.00 0.00 N ATOM 360 CA LYS A 58 13.305 -3.857 1.205 1.00 0.00 C ATOM 361 C LYS A 58 11.990 -4.221 1.902 1.00 0.00 C ATOM 362 O LYS A 58 11.925 -5.158 2.673 1.00 0.00 O ATOM 363 CB LYS A 58 13.834 -2.521 1.729 1.00 0.00 C ATOM 364 CG LYS A 58 15.351 -2.603 1.902 1.00 0.00 C ATOM 365 CD LYS A 58 15.677 -3.397 3.169 1.00 0.00 C ATOM 366 CE LYS A 58 17.075 -3.020 3.664 1.00 0.00 C ATOM 367 NZ LYS A 58 17.206 -3.692 4.987 1.00 0.00 N ATOM 0 H LYS A 58 12.915 -2.663 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 58 13.998 -4.677 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.580 -1.720 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.362 -2.279 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.802 -3.083 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.775 -1.601 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.938 -3.188 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.629 -4.466 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.845 -3.359 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.183 -1.939 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.140 -3.481 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.464 -3.345 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.105 -4.720 4.866 1.00 0.00 H new ATOM 381 N GLY A 59 10.942 -3.483 1.645 1.00 0.00 N ATOM 382 CA GLY A 59 9.636 -3.786 2.301 1.00 0.00 C ATOM 383 C GLY A 59 8.860 -4.811 1.473 1.00 0.00 C ATOM 384 O GLY A 59 8.308 -5.758 1.999 1.00 0.00 O ATOM 0 H GLY A 59 10.934 -2.685 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.805 -4.172 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.051 -2.872 2.405 1.00 0.00 H new ATOM 388 N GLY A 60 8.810 -4.632 0.182 1.00 0.00 N ATOM 389 CA GLY A 60 8.069 -5.597 -0.679 1.00 0.00 C ATOM 390 C GLY A 60 8.810 -6.936 -0.700 1.00 0.00 C ATOM 391 O GLY A 60 8.376 -7.896 -0.101 1.00 0.00 O ATOM 0 H GLY A 60 9.251 -3.858 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.056 -5.736 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.979 -5.203 -1.691 1.00 0.00 H new ATOM 395 N LYS A 61 9.927 -7.005 -1.384 1.00 0.00 N ATOM 396 CA LYS A 61 10.706 -8.281 -1.456 1.00 0.00 C ATOM 397 C LYS A 61 11.282 -8.698 -0.093 1.00 0.00 C ATOM 398 O LYS A 61 12.076 -9.614 -0.011 1.00 0.00 O ATOM 399 CB LYS A 61 11.844 -8.001 -2.437 1.00 0.00 C ATOM 400 CG LYS A 61 12.584 -9.307 -2.734 1.00 0.00 C ATOM 401 CD LYS A 61 13.576 -9.089 -3.876 1.00 0.00 C ATOM 402 CE LYS A 61 14.968 -8.814 -3.298 1.00 0.00 C ATOM 403 NZ LYS A 61 15.915 -9.138 -4.401 1.00 0.00 N ATOM 0 H LYS A 61 10.335 -6.225 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 61 10.062 -9.103 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.449 -7.575 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.531 -7.267 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.110 -9.649 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.871 -10.087 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.605 -9.968 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.256 -8.251 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.067 -7.774 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.159 -9.431 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.891 -8.974 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.803 -10.136 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.714 -8.531 -5.221 1.00 0.00 H new ATOM 417 N ALA A 62 10.896 -8.058 0.975 1.00 0.00 N ATOM 418 CA ALA A 62 11.425 -8.450 2.299 1.00 0.00 C ATOM 419 C ALA A 62 11.230 -9.950 2.471 1.00 0.00 C ATOM 420 O ALA A 62 12.169 -10.718 2.549 1.00 0.00 O ATOM 421 CB ALA A 62 10.584 -7.673 3.310 1.00 0.00 C ATOM 0 H ALA A 62 10.236 -7.280 0.983 1.00 0.00 H new ATOM 0 HA ALA A 62 12.486 -8.233 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.917 -7.911 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.698 -6.604 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.535 -7.949 3.199 1.00 0.00 H new ATOM 427 N LYS A 63 9.999 -10.364 2.488 1.00 0.00 N ATOM 428 CA LYS A 63 9.686 -11.815 2.603 1.00 0.00 C ATOM 429 C LYS A 63 9.413 -12.334 1.196 1.00 0.00 C ATOM 430 O LYS A 63 9.489 -13.513 0.914 1.00 0.00 O ATOM 431 CB LYS A 63 8.414 -11.910 3.456 1.00 0.00 C ATOM 432 CG LYS A 63 8.412 -10.831 4.542 1.00 0.00 C ATOM 433 CD LYS A 63 6.984 -10.616 5.037 1.00 0.00 C ATOM 434 CE LYS A 63 6.249 -9.699 4.058 1.00 0.00 C ATOM 435 NZ LYS A 63 5.029 -9.256 4.789 1.00 0.00 N ATOM 0 H LYS A 63 9.184 -9.753 2.426 1.00 0.00 H new ATOM 0 HA LYS A 63 10.493 -12.394 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.535 -11.797 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.351 -12.896 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.055 -11.131 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.816 -9.899 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.466 -11.572 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.994 -10.173 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.869 -8.849 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.990 -10.227 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.471 -8.622 4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.456 -10.086 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.307 -8.750 5.654 1.00 0.00 H new ATOM 449 N ASN A 64 9.097 -11.426 0.315 1.00 0.00 N ATOM 450 CA ASN A 64 8.806 -11.791 -1.099 1.00 0.00 C ATOM 451 C ASN A 64 10.078 -12.270 -1.798 1.00 0.00 C ATOM 452 O ASN A 64 11.153 -11.744 -1.585 1.00 0.00 O ATOM 453 CB ASN A 64 8.309 -10.489 -1.725 1.00 0.00 C ATOM 454 CG ASN A 64 6.853 -10.655 -2.162 1.00 0.00 C ATOM 455 OD1 ASN A 64 6.569 -11.339 -3.125 1.00 0.00 O ATOM 456 ND2 ASN A 64 5.913 -10.050 -1.491 1.00 0.00 N ATOM 0 H ASN A 64 9.027 -10.429 0.519 1.00 0.00 H new ATOM 0 HA ASN A 64 8.081 -12.600 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.393 -9.673 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.929 -10.225 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.938 -10.151 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.152 -9.476 -0.683 1.00 0.00 H new ATOM 463 N PRO A 65 9.893 -13.268 -2.607 1.00 0.00 N ATOM 464 CA PRO A 65 11.005 -13.882 -3.373 1.00 0.00 C ATOM 465 C PRO A 65 11.652 -12.886 -4.346 1.00 0.00 C ATOM 466 O PRO A 65 12.862 -12.789 -4.419 1.00 0.00 O ATOM 467 CB PRO A 65 10.300 -15.012 -4.124 1.00 0.00 C ATOM 468 CG PRO A 65 8.886 -14.573 -4.202 1.00 0.00 C ATOM 469 CD PRO A 65 8.625 -13.932 -2.896 1.00 0.00 C ATOM 0 HA PRO A 65 11.826 -14.219 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.727 -15.157 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.394 -15.960 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.732 -13.875 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.217 -15.417 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.799 -13.223 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.367 -14.663 -2.130 1.00 0.00 H new ATOM 477 N SER A 66 10.877 -12.147 -5.099 1.00 0.00 N ATOM 478 CA SER A 66 11.485 -11.184 -6.050 1.00 0.00 C ATOM 479 C SER A 66 10.416 -10.462 -6.833 1.00 0.00 C ATOM 480 O SER A 66 9.671 -11.022 -7.614 1.00 0.00 O ATOM 481 CB SER A 66 12.360 -12.015 -6.969 1.00 0.00 C ATOM 482 OG SER A 66 13.695 -12.019 -6.478 1.00 0.00 O ATOM 0 H SER A 66 9.857 -12.172 -5.093 1.00 0.00 H new ATOM 0 HA SER A 66 12.063 -10.417 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.979 -13.035 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.334 -11.607 -7.980 1.00 0.00 H new ATOM 0 HG SER A 66 13.684 -12.085 -5.500 1.00 0.00 H new ATOM 488 N ILE A 67 10.342 -9.218 -6.567 1.00 0.00 N ATOM 489 CA ILE A 67 9.354 -8.338 -7.180 1.00 0.00 C ATOM 490 C ILE A 67 9.896 -7.728 -8.473 1.00 0.00 C ATOM 491 O ILE A 67 11.081 -7.492 -8.610 1.00 0.00 O ATOM 492 CB ILE A 67 9.179 -7.309 -6.075 1.00 0.00 C ATOM 493 CG1 ILE A 67 8.232 -7.869 -5.003 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.616 -6.001 -6.638 1.00 0.00 C ATOM 495 CD1 ILE A 67 8.545 -9.355 -4.765 1.00 0.00 C ATOM 0 H ILE A 67 10.964 -8.747 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 67 8.424 -8.817 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 67 10.152 -7.099 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.346 -7.310 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.196 -7.751 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.498 -5.278 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.301 -5.602 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.647 -6.191 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.872 -9.751 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.409 -9.909 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.576 -9.460 -4.428 1.00 0.00 H new ATOM 507 N VAL A 68 9.045 -7.482 -9.429 1.00 0.00 N ATOM 508 CA VAL A 68 9.532 -6.895 -10.713 1.00 0.00 C ATOM 509 C VAL A 68 9.226 -5.394 -10.773 1.00 0.00 C ATOM 510 O VAL A 68 8.153 -4.952 -10.415 1.00 0.00 O ATOM 511 CB VAL A 68 8.800 -7.669 -11.828 1.00 0.00 C ATOM 512 CG1 VAL A 68 8.307 -6.721 -12.933 1.00 0.00 C ATOM 513 CG2 VAL A 68 9.763 -8.684 -12.442 1.00 0.00 C ATOM 0 H VAL A 68 8.042 -7.659 -9.381 1.00 0.00 H new ATOM 0 HA VAL A 68 10.613 -6.986 -10.818 1.00 0.00 H new ATOM 0 HB VAL A 68 7.936 -8.169 -11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.795 -7.296 -13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.618 -5.992 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.158 -6.201 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.254 -9.237 -13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.624 -8.162 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.099 -9.378 -11.672 1.00 0.00 H new ATOM 523 N VAL A 69 10.157 -4.614 -11.250 1.00 0.00 N ATOM 524 CA VAL A 69 9.917 -3.150 -11.364 1.00 0.00 C ATOM 525 C VAL A 69 9.967 -2.749 -12.838 1.00 0.00 C ATOM 526 O VAL A 69 11.010 -2.441 -13.379 1.00 0.00 O ATOM 527 CB VAL A 69 11.043 -2.482 -10.575 1.00 0.00 C ATOM 528 CG1 VAL A 69 10.690 -1.012 -10.332 1.00 0.00 C ATOM 529 CG2 VAL A 69 11.209 -3.190 -9.227 1.00 0.00 C ATOM 0 H VAL A 69 11.074 -4.929 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 69 8.943 -2.852 -10.975 1.00 0.00 H new ATOM 0 HB VAL A 69 11.972 -2.548 -11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.492 -0.534 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.565 -0.505 -11.289 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.761 -0.950 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.012 -2.715 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.279 -3.121 -8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.455 -4.239 -9.395 1.00 0.00 H new ATOM 539 N GLU A 70 8.841 -2.770 -13.493 1.00 0.00 N ATOM 540 CA GLU A 70 8.800 -2.412 -14.939 1.00 0.00 C ATOM 541 C GLU A 70 8.817 -0.889 -15.120 1.00 0.00 C ATOM 542 O GLU A 70 7.807 -0.285 -15.415 1.00 0.00 O ATOM 543 CB GLU A 70 7.470 -2.975 -15.433 1.00 0.00 C ATOM 544 CG GLU A 70 7.567 -4.473 -15.694 1.00 0.00 C ATOM 545 CD GLU A 70 8.825 -4.784 -16.506 1.00 0.00 C ATOM 546 OE1 GLU A 70 8.762 -4.682 -17.721 1.00 0.00 O ATOM 547 OE2 GLU A 70 9.830 -5.116 -15.901 1.00 0.00 O ATOM 0 H GLU A 70 7.940 -3.022 -13.086 1.00 0.00 H new ATOM 0 HA GLU A 70 9.658 -2.807 -15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.693 -2.782 -14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.173 -2.463 -16.348 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.592 -5.014 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.683 -4.814 -16.233 1.00 0.00 H new ATOM 554 N ASP A 71 9.951 -0.264 -14.962 1.00 0.00 N ATOM 555 CA ASP A 71 10.009 1.216 -15.147 1.00 0.00 C ATOM 556 C ASP A 71 10.303 1.536 -16.615 1.00 0.00 C ATOM 557 O ASP A 71 11.366 1.235 -17.121 1.00 0.00 O ATOM 558 CB ASP A 71 11.155 1.692 -14.251 1.00 0.00 C ATOM 559 CG ASP A 71 11.538 3.124 -14.629 1.00 0.00 C ATOM 560 OD1 ASP A 71 10.694 3.995 -14.501 1.00 0.00 O ATOM 561 OD2 ASP A 71 12.669 3.325 -15.042 1.00 0.00 O ATOM 0 H ASP A 71 10.835 -0.709 -14.715 1.00 0.00 H new ATOM 0 HA ASP A 71 9.071 1.706 -14.887 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.854 1.649 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.016 1.033 -14.362 1.00 0.00 H new ATOM 566 N LYS A 72 9.371 2.131 -17.310 1.00 0.00 N ATOM 567 CA LYS A 72 9.614 2.448 -18.750 1.00 0.00 C ATOM 568 C LYS A 72 8.931 3.764 -19.148 1.00 0.00 C ATOM 569 O LYS A 72 8.582 4.575 -18.314 1.00 0.00 O ATOM 570 CB LYS A 72 9.008 1.270 -19.516 1.00 0.00 C ATOM 571 CG LYS A 72 9.956 0.070 -19.443 1.00 0.00 C ATOM 572 CD LYS A 72 9.519 -0.991 -20.457 1.00 0.00 C ATOM 573 CE LYS A 72 10.722 -1.419 -21.302 1.00 0.00 C ATOM 574 NZ LYS A 72 11.436 -2.430 -20.472 1.00 0.00 N ATOM 0 H LYS A 72 8.459 2.410 -16.948 1.00 0.00 H new ATOM 0 HA LYS A 72 10.674 2.580 -18.965 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.039 1.007 -19.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.836 1.548 -20.556 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.978 0.388 -19.651 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.951 -0.350 -18.437 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.100 -1.854 -19.939 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.733 -0.593 -21.099 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.404 -1.843 -22.254 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.366 -0.570 -21.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.274 -2.771 -20.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.732 -1.996 -19.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.801 -3.230 -20.276 1.00 0.00 H new ATOM 588 N ALA A 73 8.751 3.981 -20.424 1.00 0.00 N ATOM 589 CA ALA A 73 8.106 5.242 -20.899 1.00 0.00 C ATOM 590 C ALA A 73 6.942 5.647 -19.989 1.00 0.00 C ATOM 591 O ALA A 73 5.834 5.172 -20.136 1.00 0.00 O ATOM 592 CB ALA A 73 7.595 4.917 -22.302 1.00 0.00 C ATOM 0 H ALA A 73 9.025 3.334 -21.164 1.00 0.00 H new ATOM 0 HA ALA A 73 8.805 6.078 -20.892 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.106 5.795 -22.723 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.433 4.629 -22.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.881 4.095 -22.248 1.00 0.00 H new ATOM 598 N GLY A 74 7.188 6.533 -19.059 1.00 0.00 N ATOM 599 CA GLY A 74 6.107 6.995 -18.135 1.00 0.00 C ATOM 600 C GLY A 74 5.190 5.836 -17.767 1.00 0.00 C ATOM 601 O GLY A 74 3.980 5.927 -17.848 1.00 0.00 O ATOM 0 H GLY A 74 8.100 6.961 -18.898 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.548 7.419 -17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.529 7.788 -18.610 1.00 0.00 H new ATOM 605 N PHE A 75 5.766 4.758 -17.354 1.00 0.00 N ATOM 606 CA PHE A 75 4.958 3.572 -16.956 1.00 0.00 C ATOM 607 C PHE A 75 5.655 2.831 -15.819 1.00 0.00 C ATOM 608 O PHE A 75 6.421 1.911 -16.032 1.00 0.00 O ATOM 609 CB PHE A 75 4.885 2.693 -18.206 1.00 0.00 C ATOM 610 CG PHE A 75 3.830 3.228 -19.145 1.00 0.00 C ATOM 611 CD1 PHE A 75 2.585 3.629 -18.647 1.00 0.00 C ATOM 612 CD2 PHE A 75 4.099 3.322 -20.516 1.00 0.00 C ATOM 613 CE1 PHE A 75 1.608 4.123 -19.520 1.00 0.00 C ATOM 614 CE2 PHE A 75 3.123 3.818 -21.388 1.00 0.00 C ATOM 615 CZ PHE A 75 1.877 4.217 -20.891 1.00 0.00 C ATOM 0 H PHE A 75 6.775 4.638 -17.271 1.00 0.00 H new ATOM 0 HA PHE A 75 3.965 3.847 -16.602 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.854 2.674 -18.705 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.650 1.666 -17.927 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.378 3.557 -17.589 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.059 3.012 -20.900 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.647 4.432 -19.136 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.332 3.893 -22.445 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.123 4.597 -21.565 1.00 0.00 H new ATOM 625 N TRP A 76 5.395 3.233 -14.610 1.00 0.00 N ATOM 626 CA TRP A 76 6.033 2.568 -13.445 1.00 0.00 C ATOM 627 C TRP A 76 5.266 1.293 -13.084 1.00 0.00 C ATOM 628 O TRP A 76 4.541 1.241 -12.110 1.00 0.00 O ATOM 629 CB TRP A 76 5.951 3.617 -12.334 1.00 0.00 C ATOM 630 CG TRP A 76 6.078 2.981 -11.006 1.00 0.00 C ATOM 631 CD1 TRP A 76 6.971 2.030 -10.711 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.342 3.259 -9.776 1.00 0.00 C ATOM 633 NE1 TRP A 76 6.825 1.686 -9.395 1.00 0.00 N ATOM 634 CE2 TRP A 76 5.829 2.404 -8.772 1.00 0.00 C ATOM 635 CE3 TRP A 76 4.310 4.150 -9.440 1.00 0.00 C ATOM 636 CZ2 TRP A 76 5.317 2.421 -7.477 1.00 0.00 C ATOM 637 CZ3 TRP A 76 3.791 4.177 -8.137 1.00 0.00 C ATOM 638 CH2 TRP A 76 4.290 3.309 -7.156 1.00 0.00 C ATOM 0 H TRP A 76 4.763 3.999 -14.377 1.00 0.00 H new ATOM 0 HA TRP A 76 7.060 2.254 -13.630 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.741 4.356 -12.466 1.00 0.00 H new ATOM 0 HB3 TRP A 76 5.002 4.149 -12.399 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.688 1.604 -11.397 1.00 0.00 H new ATOM 0 HE1 TRP A 76 7.390 0.977 -8.928 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.913 4.819 -10.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.712 1.752 -6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 3.002 4.871 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.881 3.328 -6.156 1.00 0.00 H new ATOM 649 N TRP A 77 5.420 0.267 -13.877 1.00 0.00 N ATOM 650 CA TRP A 77 4.704 -1.014 -13.605 1.00 0.00 C ATOM 651 C TRP A 77 5.456 -1.839 -12.558 1.00 0.00 C ATOM 652 O TRP A 77 6.615 -2.163 -12.724 1.00 0.00 O ATOM 653 CB TRP A 77 4.694 -1.747 -14.950 1.00 0.00 C ATOM 654 CG TRP A 77 3.591 -1.212 -15.800 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.346 0.100 -16.010 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.587 -1.944 -16.558 1.00 0.00 C ATOM 657 NE1 TRP A 77 2.254 0.222 -16.846 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.750 -1.010 -17.213 1.00 0.00 C ATOM 659 CE3 TRP A 77 2.321 -3.313 -16.738 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.687 -1.421 -18.020 1.00 0.00 C ATOM 661 CZ3 TRP A 77 1.253 -3.729 -17.549 1.00 0.00 C ATOM 662 CH2 TRP A 77 0.437 -2.785 -18.188 1.00 0.00 C ATOM 0 H TRP A 77 6.014 0.261 -14.706 1.00 0.00 H new ATOM 0 HA TRP A 77 3.700 -0.848 -13.214 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.652 -1.617 -15.454 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.559 -2.817 -14.792 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.912 0.919 -15.592 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.867 1.114 -17.155 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.942 -4.049 -16.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.062 -0.689 -18.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.059 -4.783 -17.681 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.384 -3.112 -18.809 1.00 0.00 H new ATOM 673 N ILE A 78 4.808 -2.189 -11.481 1.00 0.00 N ATOM 674 CA ILE A 78 5.495 -3.001 -10.441 1.00 0.00 C ATOM 675 C ILE A 78 4.819 -4.362 -10.305 1.00 0.00 C ATOM 676 O ILE A 78 3.611 -4.483 -10.369 1.00 0.00 O ATOM 677 CB ILE A 78 5.366 -2.201 -9.142 1.00 0.00 C ATOM 678 CG1 ILE A 78 6.127 -0.883 -9.244 1.00 0.00 C ATOM 679 CG2 ILE A 78 5.918 -3.020 -7.974 1.00 0.00 C ATOM 680 CD1 ILE A 78 7.402 -1.089 -10.037 1.00 0.00 C ATOM 0 H ILE A 78 3.838 -1.949 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 78 6.539 -3.187 -10.693 1.00 0.00 H new ATOM 0 HB ILE A 78 4.311 -1.984 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.505 -0.129 -9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.363 -0.510 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.824 -2.447 -7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.355 -3.949 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.968 -3.248 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.943 -0.145 -10.108 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.027 -1.829 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.155 -1.441 -11.038 1.00 0.00 H new ATOM 692 N LYS A 79 5.598 -5.387 -10.119 1.00 0.00 N ATOM 693 CA LYS A 79 5.024 -6.753 -9.977 1.00 0.00 C ATOM 694 C LYS A 79 5.483 -7.368 -8.651 1.00 0.00 C ATOM 695 O LYS A 79 6.653 -7.367 -8.329 1.00 0.00 O ATOM 696 CB LYS A 79 5.578 -7.533 -11.180 1.00 0.00 C ATOM 697 CG LYS A 79 5.838 -8.997 -10.801 1.00 0.00 C ATOM 698 CD LYS A 79 5.722 -9.875 -12.047 1.00 0.00 C ATOM 699 CE LYS A 79 4.246 -10.158 -12.336 1.00 0.00 C ATOM 700 NZ LYS A 79 4.253 -11.335 -13.246 1.00 0.00 N ATOM 0 H LYS A 79 6.615 -5.338 -10.059 1.00 0.00 H new ATOM 0 HA LYS A 79 3.934 -6.762 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.870 -7.486 -12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.503 -7.071 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.831 -9.099 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.121 -9.321 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.182 -9.376 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.260 -10.811 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.698 -10.371 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.763 -9.300 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.275 -11.591 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.776 -11.100 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.713 -12.138 -12.771 1.00 0.00 H new ATOM 714 N ALA A 80 4.572 -7.896 -7.884 1.00 0.00 N ATOM 715 CA ALA A 80 4.970 -8.508 -6.588 1.00 0.00 C ATOM 716 C ALA A 80 4.365 -9.908 -6.454 1.00 0.00 C ATOM 717 O ALA A 80 3.476 -10.285 -7.193 1.00 0.00 O ATOM 718 CB ALA A 80 4.411 -7.573 -5.516 1.00 0.00 C ATOM 0 H ALA A 80 3.575 -7.930 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 80 6.051 -8.622 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.665 -7.959 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.842 -6.579 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.327 -7.513 -5.615 1.00 0.00 H new ATOM 724 N ASP A 81 4.842 -10.681 -5.516 1.00 0.00 N ATOM 725 CA ASP A 81 4.299 -12.058 -5.334 1.00 0.00 C ATOM 726 C ASP A 81 3.675 -12.203 -3.946 1.00 0.00 C ATOM 727 O ASP A 81 3.962 -13.130 -3.215 1.00 0.00 O ATOM 728 CB ASP A 81 5.509 -12.981 -5.477 1.00 0.00 C ATOM 729 CG ASP A 81 5.225 -14.038 -6.544 1.00 0.00 C ATOM 730 OD1 ASP A 81 4.061 -14.323 -6.773 1.00 0.00 O ATOM 731 OD2 ASP A 81 6.176 -14.545 -7.117 1.00 0.00 O ATOM 0 H ASP A 81 5.584 -10.418 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 81 3.518 -12.293 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.391 -12.401 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.727 -13.462 -4.523 1.00 0.00 H new ATOM 736 N GLY A 82 2.822 -11.288 -3.583 1.00 0.00 N ATOM 737 CA GLY A 82 2.170 -11.350 -2.258 1.00 0.00 C ATOM 738 C GLY A 82 1.062 -10.299 -2.185 1.00 0.00 C ATOM 739 O GLY A 82 0.126 -10.312 -2.960 1.00 0.00 O ATOM 0 H GLY A 82 2.549 -10.492 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.755 -12.344 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.904 -11.175 -1.471 1.00 0.00 H new ATOM 743 N ALA A 83 1.166 -9.381 -1.262 1.00 0.00 N ATOM 744 CA ALA A 83 0.125 -8.321 -1.144 1.00 0.00 C ATOM 745 C ALA A 83 0.723 -6.965 -1.527 1.00 0.00 C ATOM 746 O ALA A 83 1.911 -6.742 -1.398 1.00 0.00 O ATOM 747 CB ALA A 83 -0.288 -8.334 0.328 1.00 0.00 C ATOM 0 H ALA A 83 1.927 -9.320 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.726 -8.494 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.055 -7.578 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.683 -9.316 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.579 -8.117 0.951 1.00 0.00 H new ATOM 753 N ILE A 84 -0.085 -6.061 -2.005 1.00 0.00 N ATOM 754 CA ILE A 84 0.444 -4.725 -2.405 1.00 0.00 C ATOM 755 C ILE A 84 -0.653 -3.665 -2.272 1.00 0.00 C ATOM 756 O ILE A 84 -1.789 -3.976 -1.972 1.00 0.00 O ATOM 757 CB ILE A 84 0.855 -4.899 -3.867 1.00 0.00 C ATOM 758 CG1 ILE A 84 1.270 -3.552 -4.452 1.00 0.00 C ATOM 759 CG2 ILE A 84 -0.323 -5.458 -4.665 1.00 0.00 C ATOM 760 CD1 ILE A 84 2.089 -3.794 -5.714 1.00 0.00 C ATOM 0 H ILE A 84 -1.088 -6.188 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 84 1.275 -4.396 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 84 1.696 -5.590 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.389 -2.954 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.855 -2.989 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.030 -5.582 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.616 -6.424 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.164 -4.767 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.391 -2.838 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.976 -4.377 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.487 -4.341 -6.439 1.00 0.00 H new ATOM 772 N GLU A 85 -0.332 -2.416 -2.492 1.00 0.00 N ATOM 773 CA GLU A 85 -1.358 -1.366 -2.377 1.00 0.00 C ATOM 774 C GLU A 85 -1.088 -0.213 -3.353 1.00 0.00 C ATOM 775 O GLU A 85 -0.059 -0.154 -3.997 1.00 0.00 O ATOM 776 CB GLU A 85 -1.273 -0.879 -0.928 1.00 0.00 C ATOM 777 CG GLU A 85 -1.649 -2.019 0.020 1.00 0.00 C ATOM 778 CD GLU A 85 -1.603 -1.519 1.466 1.00 0.00 C ATOM 779 OE1 GLU A 85 -0.542 -1.093 1.892 1.00 0.00 O ATOM 780 OE2 GLU A 85 -2.629 -1.574 2.125 1.00 0.00 O ATOM 0 H GLU A 85 0.600 -2.089 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.349 -1.746 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.264 -0.529 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.943 -0.032 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.647 -2.388 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.961 -2.855 -0.109 1.00 0.00 H new ATOM 787 N ILE A 86 -2.012 0.707 -3.452 1.00 0.00 N ATOM 788 CA ILE A 86 -1.836 1.866 -4.360 1.00 0.00 C ATOM 789 C ILE A 86 -1.991 3.171 -3.564 1.00 0.00 C ATOM 790 O ILE A 86 -2.437 3.168 -2.434 1.00 0.00 O ATOM 791 CB ILE A 86 -2.911 1.707 -5.444 1.00 0.00 C ATOM 792 CG1 ILE A 86 -2.237 1.198 -6.710 1.00 0.00 C ATOM 793 CG2 ILE A 86 -3.611 3.050 -5.730 1.00 0.00 C ATOM 794 CD1 ILE A 86 -1.942 2.379 -7.595 1.00 0.00 C ATOM 0 H ILE A 86 -2.890 0.699 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.847 1.905 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.669 1.002 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.317 0.669 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.884 0.489 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.368 2.909 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.085 3.414 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.875 3.778 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.458 2.036 -8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.873 2.887 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.281 3.070 -7.072 1.00 0.00 H new ATOM 806 N ASP A 87 -1.627 4.285 -4.141 1.00 0.00 N ATOM 807 CA ASP A 87 -1.762 5.576 -3.403 1.00 0.00 C ATOM 808 C ASP A 87 -1.887 6.739 -4.367 1.00 0.00 C ATOM 809 O ASP A 87 -1.184 6.816 -5.355 1.00 0.00 O ATOM 810 CB ASP A 87 -0.465 5.746 -2.632 1.00 0.00 C ATOM 811 CG ASP A 87 -0.280 4.581 -1.658 1.00 0.00 C ATOM 812 OD1 ASP A 87 -0.940 4.581 -0.632 1.00 0.00 O ATOM 813 OD2 ASP A 87 0.520 3.709 -1.955 1.00 0.00 O ATOM 0 H ASP A 87 -1.245 4.358 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.646 5.561 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.376 5.790 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.478 6.689 -2.086 1.00 0.00 H new ATOM 818 N ALA A 88 -2.743 7.669 -4.079 1.00 0.00 N ATOM 819 CA ALA A 88 -2.846 8.836 -4.985 1.00 0.00 C ATOM 820 C ALA A 88 -3.308 10.078 -4.227 1.00 0.00 C ATOM 821 O ALA A 88 -2.875 11.180 -4.497 1.00 0.00 O ATOM 822 CB ALA A 88 -3.875 8.452 -6.045 1.00 0.00 C ATOM 0 H ALA A 88 -3.366 7.674 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.879 9.077 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.998 9.276 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.533 7.566 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.830 8.240 -5.565 1.00 0.00 H new ATOM 828 N ALA A 89 -4.198 9.907 -3.292 1.00 0.00 N ATOM 829 CA ALA A 89 -4.712 11.073 -2.521 1.00 0.00 C ATOM 830 C ALA A 89 -3.580 12.050 -2.207 1.00 0.00 C ATOM 831 O ALA A 89 -3.747 13.249 -2.286 1.00 0.00 O ATOM 832 CB ALA A 89 -5.281 10.473 -1.242 1.00 0.00 C ATOM 0 H ALA A 89 -4.594 9.005 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.461 11.638 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.682 11.268 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.077 9.771 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.491 9.949 -0.703 1.00 0.00 H new ATOM 838 N GLU A 90 -2.428 11.548 -1.864 1.00 0.00 N ATOM 839 CA GLU A 90 -1.283 12.454 -1.557 1.00 0.00 C ATOM 840 C GLU A 90 -0.772 13.083 -2.852 1.00 0.00 C ATOM 841 O GLU A 90 -0.508 14.267 -2.926 1.00 0.00 O ATOM 842 CB GLU A 90 -0.206 11.560 -0.938 1.00 0.00 C ATOM 843 CG GLU A 90 -0.848 10.562 0.028 1.00 0.00 C ATOM 844 CD GLU A 90 0.088 10.333 1.217 1.00 0.00 C ATOM 845 OE1 GLU A 90 0.786 11.264 1.584 1.00 0.00 O ATOM 846 OE2 GLU A 90 0.092 9.230 1.738 1.00 0.00 O ATOM 0 H GLU A 90 -2.228 10.551 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.564 13.263 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.330 11.026 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.526 12.171 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.809 10.942 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.043 9.619 -0.482 1.00 0.00 H new ATOM 853 N ALA A 91 -0.643 12.298 -3.880 1.00 0.00 N ATOM 854 CA ALA A 91 -0.167 12.857 -5.172 1.00 0.00 C ATOM 855 C ALA A 91 -1.146 13.932 -5.638 1.00 0.00 C ATOM 856 O ALA A 91 -0.759 15.032 -5.970 1.00 0.00 O ATOM 857 CB ALA A 91 -0.157 11.679 -6.144 1.00 0.00 C ATOM 0 H ALA A 91 -0.845 11.298 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 91 0.819 13.315 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.185 12.017 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.515 10.906 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.164 11.272 -6.233 1.00 0.00 H new ATOM 863 N GLY A 92 -2.415 13.617 -5.647 1.00 0.00 N ATOM 864 CA GLY A 92 -3.435 14.615 -6.077 1.00 0.00 C ATOM 865 C GLY A 92 -3.263 15.898 -5.269 1.00 0.00 C ATOM 866 O GLY A 92 -3.059 16.965 -5.815 1.00 0.00 O ATOM 0 H GLY A 92 -2.789 12.708 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.328 14.825 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.437 14.212 -5.931 1.00 0.00 H new ATOM 870 N GLU A 93 -3.336 15.804 -3.973 1.00 0.00 N ATOM 871 CA GLU A 93 -3.171 17.016 -3.124 1.00 0.00 C ATOM 872 C GLU A 93 -1.792 17.639 -3.361 1.00 0.00 C ATOM 873 O GLU A 93 -1.522 18.751 -2.951 1.00 0.00 O ATOM 874 CB GLU A 93 -3.280 16.499 -1.692 1.00 0.00 C ATOM 875 CG GLU A 93 -2.092 15.587 -1.394 1.00 0.00 C ATOM 876 CD GLU A 93 -1.965 15.388 0.117 1.00 0.00 C ATOM 877 OE1 GLU A 93 -2.639 14.513 0.638 1.00 0.00 O ATOM 878 OE2 GLU A 93 -1.197 16.112 0.728 1.00 0.00 O ATOM 0 H GLU A 93 -3.503 14.937 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.911 17.785 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.297 17.334 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.214 15.953 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.226 14.625 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.176 16.024 -1.792 1.00 0.00 H new ATOM 885 N LEU A 94 -0.913 16.923 -4.008 1.00 0.00 N ATOM 886 CA LEU A 94 0.453 17.466 -4.258 1.00 0.00 C ATOM 887 C LEU A 94 0.515 18.181 -5.611 1.00 0.00 C ATOM 888 O LEU A 94 1.073 19.255 -5.723 1.00 0.00 O ATOM 889 CB LEU A 94 1.371 16.241 -4.242 1.00 0.00 C ATOM 890 CG LEU A 94 2.663 16.545 -5.002 1.00 0.00 C ATOM 891 CD1 LEU A 94 3.802 15.727 -4.400 1.00 0.00 C ATOM 892 CD2 LEU A 94 2.490 16.168 -6.476 1.00 0.00 C ATOM 0 H LEU A 94 -1.081 15.986 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 94 0.745 18.204 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.601 15.962 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.864 15.390 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 94 2.892 17.608 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.726 15.939 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.924 15.991 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.570 14.665 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.411 16.385 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.264 15.105 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.672 16.746 -6.906 1.00 0.00 H new ATOM 904 N LEU A 95 -0.053 17.613 -6.639 1.00 0.00 N ATOM 905 CA LEU A 95 -0.009 18.308 -7.962 1.00 0.00 C ATOM 906 C LEU A 95 -1.310 19.059 -8.176 1.00 0.00 C ATOM 907 O LEU A 95 -1.325 20.179 -8.646 1.00 0.00 O ATOM 908 CB LEU A 95 0.202 17.265 -9.071 1.00 0.00 C ATOM 909 CG LEU A 95 0.017 15.845 -8.561 1.00 0.00 C ATOM 910 CD1 LEU A 95 -1.475 15.550 -8.432 1.00 0.00 C ATOM 911 CD2 LEU A 95 0.653 14.887 -9.562 1.00 0.00 C ATOM 0 H LEU A 95 -0.537 16.715 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 95 0.815 19.021 -7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.500 17.453 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.205 17.374 -9.485 1.00 0.00 H new ATOM 0 HG LEU A 95 0.488 15.724 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.614 14.533 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.925 16.252 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.952 15.654 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.530 13.862 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.169 15.000 -10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.715 15.113 -9.658 1.00 0.00 H new ATOM 923 N GLY A 96 -2.404 18.459 -7.823 1.00 0.00 N ATOM 924 CA GLY A 96 -3.704 19.152 -7.994 1.00 0.00 C ATOM 925 C GLY A 96 -4.641 18.765 -6.855 1.00 0.00 C ATOM 926 O GLY A 96 -4.884 19.536 -5.947 1.00 0.00 O ATOM 0 H GLY A 96 -2.456 17.522 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.554 20.232 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.148 18.883 -8.952 1.00 0.00 H new ATOM 930 N LYS A 97 -5.162 17.571 -6.908 1.00 0.00 N ATOM 931 CA LYS A 97 -6.100 17.084 -5.849 1.00 0.00 C ATOM 932 C LYS A 97 -6.882 15.885 -6.398 1.00 0.00 C ATOM 933 O LYS A 97 -6.864 14.817 -5.819 1.00 0.00 O ATOM 934 CB LYS A 97 -7.026 18.277 -5.532 1.00 0.00 C ATOM 935 CG LYS A 97 -8.398 17.802 -5.029 1.00 0.00 C ATOM 936 CD LYS A 97 -9.420 18.927 -5.217 1.00 0.00 C ATOM 937 CE LYS A 97 -10.395 18.939 -4.038 1.00 0.00 C ATOM 938 NZ LYS A 97 -10.046 20.160 -3.263 1.00 0.00 N ATOM 0 H LYS A 97 -4.976 16.898 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.592 16.751 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.560 18.911 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.155 18.887 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.712 16.914 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.336 17.522 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.909 19.887 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.965 18.785 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.429 18.971 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.289 18.041 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.673 20.238 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.058 20.098 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.163 20.999 -3.866 1.00 0.00 H new ATOM 952 N PRO A 98 -7.536 16.100 -7.512 1.00 0.00 N ATOM 953 CA PRO A 98 -8.318 15.017 -8.156 1.00 0.00 C ATOM 954 C PRO A 98 -7.379 14.018 -8.836 1.00 0.00 C ATOM 955 O PRO A 98 -7.730 12.876 -9.055 1.00 0.00 O ATOM 956 CB PRO A 98 -9.155 15.748 -9.200 1.00 0.00 C ATOM 957 CG PRO A 98 -8.383 16.989 -9.511 1.00 0.00 C ATOM 958 CD PRO A 98 -7.614 17.356 -8.268 1.00 0.00 C ATOM 0 HA PRO A 98 -8.921 14.449 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.297 15.137 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.147 15.986 -8.816 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.705 16.821 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.054 17.797 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -6.622 17.737 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.124 18.133 -7.699 1.00 0.00 H new ATOM 966 N PHE A 99 -6.190 14.439 -9.179 1.00 0.00 N ATOM 967 CA PHE A 99 -5.247 13.510 -9.848 1.00 0.00 C ATOM 968 C PHE A 99 -5.206 12.183 -9.102 1.00 0.00 C ATOM 969 O PHE A 99 -5.316 11.126 -9.691 1.00 0.00 O ATOM 970 CB PHE A 99 -3.887 14.190 -9.789 1.00 0.00 C ATOM 971 CG PHE A 99 -2.804 13.156 -9.998 1.00 0.00 C ATOM 972 CD1 PHE A 99 -2.399 12.334 -8.936 1.00 0.00 C ATOM 973 CD2 PHE A 99 -2.213 13.015 -11.255 1.00 0.00 C ATOM 974 CE1 PHE A 99 -1.399 11.374 -9.137 1.00 0.00 C ATOM 975 CE2 PHE A 99 -1.214 12.056 -11.457 1.00 0.00 C ATOM 976 CZ PHE A 99 -0.805 11.236 -10.398 1.00 0.00 C ATOM 0 H PHE A 99 -5.837 15.383 -9.023 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.546 13.298 -10.875 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.820 14.963 -10.554 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.755 14.683 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.858 12.441 -7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.527 13.647 -12.073 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.086 10.741 -8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.758 11.948 -12.430 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.032 10.498 -10.553 1.00 0.00 H new ATOM 986 N SER A 100 -5.036 12.246 -7.807 1.00 0.00 N ATOM 987 CA SER A 100 -4.973 11.006 -6.980 1.00 0.00 C ATOM 988 C SER A 100 -5.854 9.917 -7.585 1.00 0.00 C ATOM 989 O SER A 100 -5.389 8.876 -8.009 1.00 0.00 O ATOM 990 CB SER A 100 -5.509 11.423 -5.611 1.00 0.00 C ATOM 991 OG SER A 100 -6.766 12.066 -5.772 1.00 0.00 O ATOM 0 H SER A 100 -4.937 13.115 -7.282 1.00 0.00 H new ATOM 0 HA SER A 100 -3.963 10.600 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.615 10.549 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.804 12.095 -5.122 1.00 0.00 H new ATOM 0 HG SER A 100 -6.639 13.038 -5.768 1.00 0.00 H new ATOM 997 N VAL A 101 -7.124 10.144 -7.626 1.00 0.00 N ATOM 998 CA VAL A 101 -8.030 9.115 -8.183 1.00 0.00 C ATOM 999 C VAL A 101 -7.923 9.000 -9.707 1.00 0.00 C ATOM 1000 O VAL A 101 -7.591 7.958 -10.226 1.00 0.00 O ATOM 1001 CB VAL A 101 -9.396 9.543 -7.752 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -10.460 8.864 -8.614 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -9.587 9.161 -6.285 1.00 0.00 C ATOM 0 H VAL A 101 -7.578 10.997 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.775 8.119 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.498 10.622 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.450 9.184 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.313 9.140 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.377 7.782 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.580 9.467 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.485 8.082 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.833 9.662 -5.678 1.00 0.00 H new ATOM 1013 N TYR A 102 -8.209 10.039 -10.435 1.00 0.00 N ATOM 1014 CA TYR A 102 -8.119 9.926 -11.922 1.00 0.00 C ATOM 1015 C TYR A 102 -6.821 9.206 -12.298 1.00 0.00 C ATOM 1016 O TYR A 102 -6.737 8.490 -13.288 1.00 0.00 O ATOM 1017 CB TYR A 102 -8.107 11.370 -12.426 1.00 0.00 C ATOM 1018 CG TYR A 102 -8.892 11.469 -13.713 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -10.278 11.659 -13.676 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -8.232 11.370 -14.943 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -11.003 11.752 -14.871 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -8.957 11.463 -16.136 1.00 0.00 C ATOM 1023 CZ TYR A 102 -10.342 11.654 -16.100 1.00 0.00 C ATOM 1024 OH TYR A 102 -11.056 11.745 -17.275 1.00 0.00 O ATOM 0 H TYR A 102 -8.497 10.950 -10.077 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.941 9.358 -12.357 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.539 12.031 -11.674 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.081 11.700 -12.589 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.788 11.734 -12.727 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.163 11.222 -14.971 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.073 11.899 -14.843 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.447 11.387 -17.085 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.445 11.658 -18.036 1.00 0.00 H new ATOM 1034 N ASP A 103 -5.815 9.370 -11.487 1.00 0.00 N ATOM 1035 CA ASP A 103 -4.521 8.698 -11.759 1.00 0.00 C ATOM 1036 C ASP A 103 -4.626 7.229 -11.372 1.00 0.00 C ATOM 1037 O ASP A 103 -4.003 6.377 -11.969 1.00 0.00 O ATOM 1038 CB ASP A 103 -3.500 9.418 -10.876 1.00 0.00 C ATOM 1039 CG ASP A 103 -2.212 8.596 -10.810 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -1.900 7.940 -11.790 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -1.558 8.635 -9.779 1.00 0.00 O ATOM 0 H ASP A 103 -5.836 9.944 -10.644 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.237 8.741 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.291 10.409 -11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.905 9.559 -9.874 1.00 0.00 H new ATOM 1046 N LEU A 104 -5.416 6.923 -10.380 1.00 0.00 N ATOM 1047 CA LEU A 104 -5.552 5.502 -9.974 1.00 0.00 C ATOM 1048 C LEU A 104 -6.412 4.743 -10.985 1.00 0.00 C ATOM 1049 O LEU A 104 -6.387 3.544 -11.035 1.00 0.00 O ATOM 1050 CB LEU A 104 -6.217 5.527 -8.587 1.00 0.00 C ATOM 1051 CG LEU A 104 -7.749 5.508 -8.710 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -8.236 4.086 -8.988 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -8.367 6.006 -7.402 1.00 0.00 C ATOM 0 H LEU A 104 -5.967 7.590 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.589 4.993 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.885 4.667 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.903 6.419 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.049 6.156 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.323 4.084 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.798 3.727 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.935 3.432 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.454 5.994 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.059 5.356 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.029 7.023 -7.204 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.195 5.418 -11.776 1.00 0.00 N ATOM 1066 CA LEU A 105 -8.060 4.680 -12.746 1.00 0.00 C ATOM 1067 C LEU A 105 -7.353 4.497 -14.091 1.00 0.00 C ATOM 1068 O LEU A 105 -7.639 3.574 -14.828 1.00 0.00 O ATOM 1069 CB LEU A 105 -9.297 5.557 -12.926 1.00 0.00 C ATOM 1070 CG LEU A 105 -10.090 5.607 -11.623 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -10.384 7.063 -11.265 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -11.408 4.849 -11.800 1.00 0.00 C ATOM 0 H LEU A 105 -7.277 6.435 -11.797 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.303 3.682 -12.380 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.000 6.564 -13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.921 5.161 -13.727 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.510 5.145 -10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.950 7.102 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.446 7.604 -11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.966 7.524 -12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.975 4.884 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.989 5.312 -12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.199 3.811 -12.059 1.00 0.00 H new ATOM 1084 N ILE A 106 -6.438 5.362 -14.423 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.730 5.222 -15.722 1.00 0.00 C ATOM 1086 C ILE A 106 -4.395 4.511 -15.498 1.00 0.00 C ATOM 1087 O ILE A 106 -3.751 4.061 -16.426 1.00 0.00 O ATOM 1088 CB ILE A 106 -5.552 6.658 -16.218 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -6.643 6.971 -17.245 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -4.181 6.840 -16.872 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -7.659 7.937 -16.633 1.00 0.00 C ATOM 0 H ILE A 106 -6.151 6.157 -13.853 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.270 4.624 -16.456 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.626 7.335 -15.367 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.200 7.411 -18.139 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.140 6.052 -17.555 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.076 7.869 -17.217 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.399 6.620 -16.145 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.089 6.161 -17.720 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.436 8.160 -17.365 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.110 7.480 -15.752 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.156 8.860 -16.346 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.981 4.405 -14.267 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.695 3.722 -13.971 1.00 0.00 C ATOM 1105 C ASN A 107 -2.963 2.336 -13.367 1.00 0.00 C ATOM 1106 O ASN A 107 -2.333 1.364 -13.727 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.969 4.664 -12.991 1.00 0.00 C ATOM 1108 CG ASN A 107 -2.100 4.185 -11.538 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.813 3.048 -11.224 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -2.510 5.021 -10.630 1.00 0.00 N ATOM 0 H ASN A 107 -4.480 4.763 -13.452 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.087 3.542 -14.858 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.914 4.726 -13.260 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.380 5.669 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.589 4.720 -9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.752 5.977 -10.889 1.00 0.00 H new ATOM 1117 N VAL A 108 -3.903 2.230 -12.462 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.200 0.898 -11.841 1.00 0.00 C ATOM 1119 C VAL A 108 -4.569 -0.161 -12.895 1.00 0.00 C ATOM 1120 O VAL A 108 -4.799 -1.303 -12.557 1.00 0.00 O ATOM 1121 CB VAL A 108 -5.385 1.142 -10.906 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -6.691 1.189 -11.715 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -5.471 0.015 -9.880 1.00 0.00 C ATOM 0 H VAL A 108 -4.477 3.003 -12.126 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.325 0.512 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.241 2.094 -10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.530 1.363 -11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.638 1.997 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.832 0.240 -12.233 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.316 0.192 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.607 -0.936 -10.395 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.551 -0.017 -9.296 1.00 0.00 H new ATOM 1133 N SER A 109 -4.638 0.216 -14.153 1.00 0.00 N ATOM 1134 CA SER A 109 -4.989 -0.736 -15.245 1.00 0.00 C ATOM 1135 C SER A 109 -4.655 -2.170 -14.889 1.00 0.00 C ATOM 1136 O SER A 109 -5.417 -3.076 -15.166 1.00 0.00 O ATOM 1137 CB SER A 109 -4.137 -0.264 -16.418 1.00 0.00 C ATOM 1138 OG SER A 109 -3.547 0.994 -16.108 1.00 0.00 O ATOM 0 H SER A 109 -4.460 1.169 -14.470 1.00 0.00 H new ATOM 0 HA SER A 109 -6.059 -0.738 -15.454 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.360 -0.997 -16.634 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.751 -0.177 -17.314 1.00 0.00 H new ATOM 0 HG SER A 109 -2.840 0.868 -15.441 1.00 0.00 H new ATOM 1144 N SER A 110 -3.560 -2.399 -14.253 1.00 0.00 N ATOM 1145 CA SER A 110 -3.247 -3.798 -13.865 1.00 0.00 C ATOM 1146 C SER A 110 -4.033 -4.146 -12.598 1.00 0.00 C ATOM 1147 O SER A 110 -3.510 -4.740 -11.676 1.00 0.00 O ATOM 1148 CB SER A 110 -1.747 -3.834 -13.603 1.00 0.00 C ATOM 1149 OG SER A 110 -1.069 -4.146 -14.813 1.00 0.00 O ATOM 0 H SER A 110 -2.871 -1.696 -13.984 1.00 0.00 H new ATOM 0 HA SER A 110 -3.519 -4.519 -14.636 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.409 -2.871 -13.221 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.517 -4.578 -12.841 1.00 0.00 H new ATOM 0 HG SER A 110 -0.968 -5.118 -14.890 1.00 0.00 H new ATOM 1155 N THR A 111 -5.290 -3.763 -12.538 1.00 0.00 N ATOM 1156 CA THR A 111 -6.107 -4.057 -11.316 1.00 0.00 C ATOM 1157 C THR A 111 -6.286 -5.571 -11.077 1.00 0.00 C ATOM 1158 O THR A 111 -6.964 -5.968 -10.152 1.00 0.00 O ATOM 1159 CB THR A 111 -7.470 -3.417 -11.592 1.00 0.00 C ATOM 1160 OG1 THR A 111 -7.751 -3.485 -12.982 1.00 0.00 O ATOM 1161 CG2 THR A 111 -7.463 -1.956 -11.142 1.00 0.00 C ATOM 0 H THR A 111 -5.782 -3.263 -13.278 1.00 0.00 H new ATOM 0 HA THR A 111 -5.617 -3.667 -10.424 1.00 0.00 H new ATOM 0 HB THR A 111 -8.237 -3.956 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.615 -2.603 -13.387 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.437 -1.509 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.253 -1.905 -10.074 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.694 -1.411 -11.689 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.705 -6.415 -11.894 1.00 0.00 N ATOM 1170 CA VAL A 112 -5.865 -7.890 -11.696 1.00 0.00 C ATOM 1171 C VAL A 112 -5.856 -8.253 -10.206 1.00 0.00 C ATOM 1172 O VAL A 112 -6.431 -9.243 -9.797 1.00 0.00 O ATOM 1173 CB VAL A 112 -4.665 -8.523 -12.399 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -3.397 -8.266 -11.580 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -4.890 -10.032 -12.523 1.00 0.00 C ATOM 0 H VAL A 112 -5.126 -6.146 -12.690 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.815 -8.244 -12.097 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.552 -8.085 -13.391 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.542 -8.718 -12.082 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.236 -7.192 -11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.509 -8.705 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.036 -10.487 -13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.001 -10.466 -11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.793 -10.219 -13.104 1.00 0.00 H new ATOM 1185 N GLY A 113 -5.208 -7.467 -9.389 1.00 0.00 N ATOM 1186 CA GLY A 113 -5.167 -7.782 -7.934 1.00 0.00 C ATOM 1187 C GLY A 113 -6.232 -6.966 -7.196 1.00 0.00 C ATOM 1188 O GLY A 113 -5.943 -6.341 -6.197 1.00 0.00 O ATOM 0 H GLY A 113 -4.707 -6.623 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.339 -8.847 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.179 -7.557 -7.532 1.00 0.00 H new ATOM 1192 N ARG A 114 -7.457 -6.995 -7.680 1.00 0.00 N ATOM 1193 CA ARG A 114 -8.584 -6.250 -7.030 1.00 0.00 C ATOM 1194 C ARG A 114 -8.078 -5.129 -6.113 1.00 0.00 C ATOM 1195 O ARG A 114 -7.663 -5.365 -4.996 1.00 0.00 O ATOM 1196 CB ARG A 114 -9.309 -7.325 -6.237 1.00 0.00 C ATOM 1197 CG ARG A 114 -10.243 -6.681 -5.211 1.00 0.00 C ATOM 1198 CD ARG A 114 -11.597 -7.394 -5.238 1.00 0.00 C ATOM 1199 NE ARG A 114 -12.254 -6.924 -6.489 1.00 0.00 N ATOM 1200 CZ ARG A 114 -13.294 -6.140 -6.425 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -14.400 -6.568 -5.880 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -13.228 -4.927 -6.902 1.00 0.00 N ATOM 0 H ARG A 114 -7.725 -7.515 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.224 -5.749 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -9.881 -7.962 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.586 -7.965 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.806 -6.745 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.373 -5.622 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.473 -8.477 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.193 -7.143 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.890 -7.215 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.450 -7.515 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.214 -5.955 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.363 -4.592 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.042 -4.314 -6.852 1.00 0.00 H new ATOM 1216 N ALA A 115 -8.101 -3.912 -6.584 1.00 0.00 N ATOM 1217 CA ALA A 115 -7.606 -2.776 -5.752 1.00 0.00 C ATOM 1218 C ALA A 115 -8.698 -2.247 -4.820 1.00 0.00 C ATOM 1219 O ALA A 115 -9.473 -1.385 -5.181 1.00 0.00 O ATOM 1220 CB ALA A 115 -7.209 -1.700 -6.763 1.00 0.00 C ATOM 0 H ALA A 115 -8.442 -3.654 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.779 -3.080 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.832 -0.825 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.432 -2.088 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.079 -1.419 -7.356 1.00 0.00 H new ATOM 1226 N TYR A 116 -8.741 -2.735 -3.610 1.00 0.00 N ATOM 1227 CA TYR A 116 -9.755 -2.230 -2.646 1.00 0.00 C ATOM 1228 C TYR A 116 -9.321 -0.839 -2.178 1.00 0.00 C ATOM 1229 O TYR A 116 -8.145 -0.569 -2.038 1.00 0.00 O ATOM 1230 CB TYR A 116 -9.738 -3.230 -1.488 1.00 0.00 C ATOM 1231 CG TYR A 116 -11.083 -3.908 -1.379 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -12.260 -3.158 -1.505 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -11.154 -5.287 -1.149 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -13.506 -3.789 -1.401 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -12.400 -5.916 -1.045 1.00 0.00 C ATOM 1236 CZ TYR A 116 -13.575 -5.168 -1.171 1.00 0.00 C ATOM 1237 OH TYR A 116 -14.804 -5.790 -1.068 1.00 0.00 O ATOM 0 H TYR A 116 -8.119 -3.459 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 116 -10.755 -2.144 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.957 -3.974 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -9.502 -2.717 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -12.206 -2.094 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -10.247 -5.866 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -14.414 -3.212 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.454 -6.980 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.673 -6.748 -0.909 1.00 0.00 H new ATOM 1247 N THR A 117 -10.241 0.056 -1.959 1.00 0.00 N ATOM 1248 CA THR A 117 -9.841 1.428 -1.533 1.00 0.00 C ATOM 1249 C THR A 117 -9.509 1.472 -0.040 1.00 0.00 C ATOM 1250 O THR A 117 -9.904 0.617 0.727 1.00 0.00 O ATOM 1251 CB THR A 117 -11.054 2.307 -1.836 1.00 0.00 C ATOM 1252 OG1 THR A 117 -11.597 1.941 -3.098 1.00 0.00 O ATOM 1253 CG2 THR A 117 -10.627 3.776 -1.868 1.00 0.00 C ATOM 0 H THR A 117 -11.245 -0.099 -2.055 1.00 0.00 H new ATOM 0 HA THR A 117 -8.945 1.763 -2.055 1.00 0.00 H new ATOM 0 HB THR A 117 -11.808 2.168 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 117 -12.376 2.502 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 117 -11.493 4.402 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.210 4.055 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.873 3.919 -2.642 1.00 0.00 H new ATOM 1261 N LEU A 118 -8.781 2.477 0.369 1.00 0.00 N ATOM 1262 CA LEU A 118 -8.407 2.611 1.806 1.00 0.00 C ATOM 1263 C LEU A 118 -8.713 4.019 2.291 1.00 0.00 C ATOM 1264 O LEU A 118 -7.996 4.569 3.101 1.00 0.00 O ATOM 1265 CB LEU A 118 -6.903 2.338 1.854 1.00 0.00 C ATOM 1266 CG LEU A 118 -6.537 1.720 3.206 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -5.411 0.702 3.014 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -6.066 2.819 4.161 1.00 0.00 C ATOM 0 H LEU A 118 -8.427 3.217 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.961 1.925 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.619 1.664 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.350 3.265 1.705 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.412 1.223 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.150 0.262 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.742 -0.083 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.537 1.201 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.806 2.378 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.191 3.316 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.865 3.547 4.300 1.00 0.00 H new ATOM 1280 N GLY A 119 -9.770 4.609 1.803 1.00 0.00 N ATOM 1281 CA GLY A 119 -10.116 5.988 2.238 1.00 0.00 C ATOM 1282 C GLY A 119 -9.060 6.955 1.726 1.00 0.00 C ATOM 1283 O GLY A 119 -9.336 7.873 0.979 1.00 0.00 O ATOM 0 H GLY A 119 -10.407 4.195 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -11.098 6.267 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.173 6.035 3.325 1.00 0.00 H new ATOM 1287 N THR A 120 -7.851 6.738 2.127 1.00 0.00 N ATOM 1288 CA THR A 120 -6.736 7.622 1.685 1.00 0.00 C ATOM 1289 C THR A 120 -5.741 6.831 0.833 1.00 0.00 C ATOM 1290 O THR A 120 -4.839 7.388 0.241 1.00 0.00 O ATOM 1291 CB THR A 120 -6.067 8.098 2.977 1.00 0.00 C ATOM 1292 OG1 THR A 120 -6.353 7.179 4.023 1.00 0.00 O ATOM 1293 CG2 THR A 120 -6.596 9.482 3.351 1.00 0.00 C ATOM 0 H THR A 120 -7.576 5.978 2.750 1.00 0.00 H new ATOM 0 HA THR A 120 -7.089 8.455 1.077 1.00 0.00 H new ATOM 0 HB THR A 120 -4.989 8.155 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.924 7.481 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 120 -6.118 9.818 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.374 10.186 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.675 9.431 3.500 1.00 0.00 H new ATOM 1301 N LYS A 121 -5.888 5.534 0.775 1.00 0.00 N ATOM 1302 CA LYS A 121 -4.933 4.721 -0.030 1.00 0.00 C ATOM 1303 C LYS A 121 -5.664 3.640 -0.830 1.00 0.00 C ATOM 1304 O LYS A 121 -6.857 3.698 -1.049 1.00 0.00 O ATOM 1305 CB LYS A 121 -3.999 4.083 0.996 1.00 0.00 C ATOM 1306 CG LYS A 121 -3.590 5.126 2.040 1.00 0.00 C ATOM 1307 CD LYS A 121 -2.727 4.467 3.117 1.00 0.00 C ATOM 1308 CE LYS A 121 -2.009 5.550 3.926 1.00 0.00 C ATOM 1309 NZ LYS A 121 -0.612 5.058 4.079 1.00 0.00 N ATOM 0 H LYS A 121 -6.623 5.006 1.247 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.398 5.332 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.496 3.243 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -3.114 3.685 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.037 5.935 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.477 5.569 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.348 3.858 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.999 3.799 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.035 6.510 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -2.484 5.697 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.058 5.749 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.618 4.147 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.183 4.934 3.140 1.00 0.00 H new ATOM 1323 N PHE A 122 -4.929 2.663 -1.276 1.00 0.00 N ATOM 1324 CA PHE A 122 -5.521 1.555 -2.085 1.00 0.00 C ATOM 1325 C PHE A 122 -5.052 0.208 -1.549 1.00 0.00 C ATOM 1326 O PHE A 122 -4.041 0.124 -0.884 1.00 0.00 O ATOM 1327 CB PHE A 122 -4.911 1.735 -3.453 1.00 0.00 C ATOM 1328 CG PHE A 122 -5.956 2.042 -4.492 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -6.872 3.071 -4.279 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -6.007 1.286 -5.671 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -7.846 3.348 -5.242 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -6.984 1.559 -6.631 1.00 0.00 C ATOM 1333 CZ PHE A 122 -7.905 2.589 -6.416 1.00 0.00 C ATOM 0 H PHE A 122 -3.925 2.581 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 122 -6.611 1.578 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.180 2.543 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.373 0.829 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.829 3.654 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.292 0.494 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.553 4.148 -5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.028 0.975 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.662 2.799 -7.157 1.00 0.00 H new ATOM 1343 N THR A 123 -5.741 -0.854 -1.862 1.00 0.00 N ATOM 1344 CA THR A 123 -5.294 -2.162 -1.383 1.00 0.00 C ATOM 1345 C THR A 123 -5.435 -3.220 -2.489 1.00 0.00 C ATOM 1346 O THR A 123 -6.517 -3.697 -2.775 1.00 0.00 O ATOM 1347 CB THR A 123 -6.191 -2.451 -0.170 1.00 0.00 C ATOM 1348 OG1 THR A 123 -5.491 -2.117 1.020 1.00 0.00 O ATOM 1349 CG2 THR A 123 -6.581 -3.929 -0.129 1.00 0.00 C ATOM 0 H THR A 123 -6.590 -0.859 -2.428 1.00 0.00 H new ATOM 0 HA THR A 123 -4.240 -2.181 -1.107 1.00 0.00 H new ATOM 0 HB THR A 123 -7.098 -1.852 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.061 -2.299 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.216 -4.114 0.737 1.00 0.00 H new ATOM 0 HG22 THR A 123 -7.123 -4.188 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.682 -4.541 -0.057 1.00 0.00 H new ATOM 1357 N ILE A 124 -4.345 -3.603 -3.097 1.00 0.00 N ATOM 1358 CA ILE A 124 -4.406 -4.647 -4.160 1.00 0.00 C ATOM 1359 C ILE A 124 -4.022 -5.991 -3.545 1.00 0.00 C ATOM 1360 O ILE A 124 -3.217 -6.053 -2.637 1.00 0.00 O ATOM 1361 CB ILE A 124 -3.381 -4.220 -5.213 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -3.906 -2.998 -5.969 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -3.156 -5.366 -6.202 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -3.557 -1.727 -5.191 1.00 0.00 C ATOM 0 H ILE A 124 -3.413 -3.237 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.398 -4.749 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.440 -3.971 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -3.468 -2.958 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -4.986 -3.073 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.426 -5.061 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.784 -6.240 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.098 -5.614 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.931 -0.856 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.016 -1.767 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.475 -1.651 -5.085 1.00 0.00 H new ATOM 1376 N THR A 125 -4.591 -7.068 -4.006 1.00 0.00 N ATOM 1377 CA THR A 125 -4.241 -8.385 -3.404 1.00 0.00 C ATOM 1378 C THR A 125 -4.348 -9.508 -4.436 1.00 0.00 C ATOM 1379 O THR A 125 -4.906 -9.342 -5.502 1.00 0.00 O ATOM 1380 CB THR A 125 -5.265 -8.585 -2.286 1.00 0.00 C ATOM 1381 OG1 THR A 125 -4.941 -9.760 -1.554 1.00 0.00 O ATOM 1382 CG2 THR A 125 -6.663 -8.726 -2.892 1.00 0.00 C ATOM 0 H THR A 125 -5.274 -7.096 -4.763 1.00 0.00 H new ATOM 0 HA THR A 125 -3.215 -8.405 -3.038 1.00 0.00 H new ATOM 0 HB THR A 125 -5.247 -7.724 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 125 -5.595 -9.889 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 125 -7.392 -8.869 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.909 -7.824 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.684 -9.586 -3.561 1.00 0.00 H new ATOM 1390 N SER A 126 -3.818 -10.654 -4.114 1.00 0.00 N ATOM 1391 CA SER A 126 -3.884 -11.806 -5.054 1.00 0.00 C ATOM 1392 C SER A 126 -5.096 -12.671 -4.717 1.00 0.00 C ATOM 1393 O SER A 126 -5.708 -13.271 -5.578 1.00 0.00 O ATOM 1394 CB SER A 126 -2.596 -12.582 -4.805 1.00 0.00 C ATOM 1395 OG SER A 126 -2.268 -13.331 -5.965 1.00 0.00 O ATOM 0 H SER A 126 -3.339 -10.843 -3.234 1.00 0.00 H new ATOM 0 HA SER A 126 -3.982 -11.497 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.786 -11.895 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 126 -2.718 -13.248 -3.951 1.00 0.00 H new ATOM 0 HG SER A 126 -1.457 -12.963 -6.374 1.00 0.00 H new ATOM 1401 N GLU A 127 -5.438 -12.736 -3.461 1.00 0.00 N ATOM 1402 CA GLU A 127 -6.608 -13.559 -3.040 1.00 0.00 C ATOM 1403 C GLU A 127 -7.773 -13.369 -4.013 1.00 0.00 C ATOM 1404 O GLU A 127 -7.763 -12.479 -4.841 1.00 0.00 O ATOM 1405 CB GLU A 127 -6.976 -13.036 -1.653 1.00 0.00 C ATOM 1406 CG GLU A 127 -5.943 -13.527 -0.639 1.00 0.00 C ATOM 1407 CD GLU A 127 -6.246 -14.978 -0.262 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -7.105 -15.184 0.580 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -5.616 -15.859 -0.824 1.00 0.00 O ATOM 0 H GLU A 127 -4.956 -12.252 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.380 -14.625 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -7.008 -11.946 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.971 -13.382 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.940 -13.452 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.963 -12.897 0.251 1.00 0.00 H new ATOM 1416 N LEU A 128 -8.775 -14.203 -3.925 1.00 0.00 N ATOM 1417 CA LEU A 128 -9.933 -14.082 -4.842 1.00 0.00 C ATOM 1418 C LEU A 128 -10.382 -12.624 -4.961 1.00 0.00 C ATOM 1419 O LEU A 128 -9.874 -11.746 -4.293 1.00 0.00 O ATOM 1420 CB LEU A 128 -11.039 -14.925 -4.210 1.00 0.00 C ATOM 1421 CG LEU A 128 -11.483 -14.285 -2.896 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -12.973 -13.949 -2.973 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -11.241 -15.263 -1.744 1.00 0.00 C ATOM 0 H LEU A 128 -8.836 -14.966 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.684 -14.419 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -11.885 -15.003 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.680 -15.938 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.911 -13.373 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -13.292 -13.492 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -13.147 -13.253 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -13.543 -14.862 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.558 -14.806 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.813 -16.175 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.180 -15.505 -1.689 1.00 0.00 H new TER 1435 LEU A 128