USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 817 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 14 GLN : amide:sc= -0.0454 X(o=0.22,f=0.27) USER MOD Set 1.2: A 122 SER OG : rot -140:sc= 0.265 USER MOD Set 2.1: A 33 TYR OH : rot 180:sc=-0.00419 USER MOD Set 2.2: A 112 TYR OH : rot 33:sc= 0.64 USER MOD Set 3.1: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 53 ASN : amide:sc= 1.17 K(o=1.8,f=-3.3!) USER MOD Set 4.2: A 55 SER OG : rot -51:sc= 0.58 USER MOD Set 5.1: A 23 CYS SG : rot -155:sc= -1.52 USER MOD Set 5.2: A 35 MET CE :methyl -164:sc= -2.32! (180deg=-1.61) USER MOD Set 5.3: A 97 CYS SG : rot 147:sc= -1.09 USER MOD Single : A 4 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.25) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 84:sc= 0.483 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 46:sc= 0.193 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -21:sc= 0.209 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0172 F(o=-0.72,f=-0.017) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0502 K(o=-0.05,f=-2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.598 K(o=0.6,f=-3.2!) USER MOD Single : A 84 MET CE :methyl -126:sc= -4.05! (180deg=-7.65!) USER MOD Single : A 85 ASN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0371) USER MOD Single : A 92 THR OG1 : rot 87:sc= 0.314 USER MOD Single : A 95 TYR OH : rot 180:sc= 0.688 USER MOD Single : A 96 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.8!) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.802 F(o=-1.9,f=-0.8) USER MOD Single : A 117 THR OG1 : rot -110:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0137 K(o=-0.014,f=-2) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.212 -3.864 -8.064 1.00 0.00 N ATOM 38 CA LEU A 3 2.413 -4.243 -8.812 1.00 0.00 C ATOM 39 C LEU A 3 2.480 -3.344 -10.058 1.00 0.00 C ATOM 40 O LEU A 3 1.617 -3.446 -10.939 1.00 0.00 O ATOM 41 CB LEU A 3 2.319 -5.748 -9.199 1.00 0.00 C ATOM 42 CG LEU A 3 3.485 -6.356 -10.040 1.00 0.00 C ATOM 43 CD1 LEU A 3 4.805 -6.424 -9.242 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.084 -7.747 -10.586 1.00 0.00 C ATOM 0 HA LEU A 3 3.318 -4.110 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.233 -6.326 -8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.393 -5.894 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 3 3.667 -5.691 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.587 -6.854 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.097 -5.420 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.664 -7.047 -8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.906 -8.159 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.860 -8.414 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.202 -7.649 -11.219 1.00 0.00 H new ATOM 56 N GLN A 4 3.478 -2.440 -10.094 1.00 0.00 N ATOM 57 CA GLN A 4 3.658 -1.485 -11.198 1.00 0.00 C ATOM 58 C GLN A 4 4.170 -2.217 -12.449 1.00 0.00 C ATOM 59 O GLN A 4 5.341 -2.600 -12.530 1.00 0.00 O ATOM 60 CB GLN A 4 4.640 -0.338 -10.801 1.00 0.00 C ATOM 61 CG GLN A 4 4.886 0.709 -11.918 1.00 0.00 C ATOM 62 CD GLN A 4 3.617 1.460 -12.343 1.00 0.00 C ATOM 63 OE1 GLN A 4 2.742 1.745 -11.523 1.00 0.00 O ATOM 64 NE2 GLN A 4 3.492 1.743 -13.631 1.00 0.00 N ATOM 0 H GLN A 4 4.180 -2.353 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 4 2.690 -1.035 -11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.247 0.172 -9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.596 -0.777 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.627 1.430 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.311 0.208 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.236 1.493 -14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.652 2.211 -13.971 1.00 0.00 H new ATOM 73 N LEU A 5 3.256 -2.414 -13.401 1.00 0.00 N ATOM 74 CA LEU A 5 3.535 -3.035 -14.697 1.00 0.00 C ATOM 75 C LEU A 5 3.507 -1.942 -15.777 1.00 0.00 C ATOM 76 O LEU A 5 2.582 -1.126 -15.813 1.00 0.00 O ATOM 77 CB LEU A 5 2.489 -4.155 -14.954 1.00 0.00 C ATOM 78 CG LEU A 5 2.514 -5.314 -13.901 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.253 -6.188 -13.967 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.792 -6.171 -14.049 1.00 0.00 C ATOM 0 H LEU A 5 2.280 -2.140 -13.290 1.00 0.00 H new ATOM 0 HA LEU A 5 4.521 -3.499 -14.716 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.494 -3.711 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.661 -4.576 -15.945 1.00 0.00 H new ATOM 0 HG LEU A 5 2.527 -4.848 -12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.318 -6.977 -13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.374 -5.574 -13.772 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.171 -6.634 -14.958 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.784 -6.968 -13.306 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.825 -6.606 -15.048 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.670 -5.544 -13.898 1.00 0.00 H new ATOM 92 N VAL A 6 4.566 -1.883 -16.602 1.00 0.00 N ATOM 93 CA VAL A 6 4.682 -0.923 -17.713 1.00 0.00 C ATOM 94 C VAL A 6 4.862 -1.710 -19.008 1.00 0.00 C ATOM 95 O VAL A 6 5.936 -2.250 -19.263 1.00 0.00 O ATOM 96 CB VAL A 6 5.876 0.089 -17.530 1.00 0.00 C ATOM 97 CG1 VAL A 6 5.926 1.113 -18.696 1.00 0.00 C ATOM 98 CG2 VAL A 6 5.793 0.808 -16.164 1.00 0.00 C ATOM 0 H VAL A 6 5.371 -2.504 -16.516 1.00 0.00 H new ATOM 0 HA VAL A 6 3.772 -0.323 -17.738 1.00 0.00 H new ATOM 0 HB VAL A 6 6.803 -0.485 -17.550 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.760 1.798 -18.543 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.060 0.584 -19.639 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.994 1.677 -18.725 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.629 1.500 -16.066 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.856 1.361 -16.100 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.835 0.071 -15.362 1.00 0.00 H new ATOM 108 N GLU A 7 3.792 -1.789 -19.790 1.00 0.00 N ATOM 109 CA GLU A 7 3.738 -2.555 -21.039 1.00 0.00 C ATOM 110 C GLU A 7 4.170 -1.681 -22.221 1.00 0.00 C ATOM 111 O GLU A 7 4.105 -0.444 -22.149 1.00 0.00 O ATOM 112 CB GLU A 7 2.313 -3.137 -21.267 1.00 0.00 C ATOM 113 CG GLU A 7 1.786 -4.049 -20.122 1.00 0.00 C ATOM 114 CD GLU A 7 1.008 -3.316 -18.995 1.00 0.00 C ATOM 115 OE1 GLU A 7 1.527 -2.369 -18.395 1.00 0.00 O ATOM 116 OE2 GLU A 7 -0.141 -3.689 -18.717 1.00 0.00 O ATOM 0 H GLU A 7 2.916 -1.313 -19.573 1.00 0.00 H new ATOM 0 HA GLU A 7 4.433 -3.391 -20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.616 -2.310 -21.403 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.314 -3.708 -22.195 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.135 -4.809 -20.555 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.633 -4.571 -19.676 1.00 0.00 H new ATOM 123 N SER A 8 4.626 -2.334 -23.300 1.00 0.00 N ATOM 124 CA SER A 8 5.063 -1.668 -24.539 1.00 0.00 C ATOM 125 C SER A 8 5.029 -2.669 -25.709 1.00 0.00 C ATOM 126 O SER A 8 4.840 -3.881 -25.504 1.00 0.00 O ATOM 127 CB SER A 8 6.482 -1.083 -24.362 1.00 0.00 C ATOM 128 OG SER A 8 7.413 -2.102 -24.040 1.00 0.00 O ATOM 0 H SER A 8 4.703 -3.350 -23.339 1.00 0.00 H new ATOM 0 HA SER A 8 4.382 -0.847 -24.762 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.790 -0.581 -25.279 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.474 -0.330 -23.574 1.00 0.00 H new ATOM 0 HG SER A 8 8.304 -1.709 -23.934 1.00 0.00 H new ATOM 134 N GLY A 9 5.240 -2.151 -26.931 1.00 0.00 N ATOM 135 CA GLY A 9 5.177 -2.955 -28.157 1.00 0.00 C ATOM 136 C GLY A 9 3.926 -2.650 -28.979 1.00 0.00 C ATOM 137 O GLY A 9 3.568 -3.419 -29.876 1.00 0.00 O ATOM 0 H GLY A 9 5.458 -1.168 -27.093 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.063 -2.764 -28.762 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.191 -4.014 -27.897 1.00 0.00 H new ATOM 141 N GLY A 10 3.265 -1.517 -28.661 1.00 0.00 N ATOM 142 CA GLY A 10 2.040 -1.097 -29.335 1.00 0.00 C ATOM 143 C GLY A 10 2.289 -0.657 -30.777 1.00 0.00 C ATOM 144 O GLY A 10 2.612 0.508 -31.027 1.00 0.00 O ATOM 0 H GLY A 10 3.573 -0.876 -27.930 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.324 -1.919 -29.327 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.587 -0.275 -28.780 1.00 0.00 H new ATOM 148 N GLY A 11 2.160 -1.608 -31.716 1.00 0.00 N ATOM 149 CA GLY A 11 2.309 -1.347 -33.148 1.00 0.00 C ATOM 150 C GLY A 11 1.394 -2.238 -33.965 1.00 0.00 C ATOM 151 O GLY A 11 0.649 -3.062 -33.403 1.00 0.00 O ATOM 0 H GLY A 11 1.949 -2.582 -31.498 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.083 -0.301 -33.355 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.344 -1.514 -33.445 1.00 0.00 H new ATOM 155 N LEU A 12 1.446 -2.084 -35.298 1.00 0.00 N ATOM 156 CA LEU A 12 0.633 -2.882 -36.232 1.00 0.00 C ATOM 157 C LEU A 12 1.512 -3.905 -36.977 1.00 0.00 C ATOM 158 O LEU A 12 2.698 -3.655 -37.232 1.00 0.00 O ATOM 159 CB LEU A 12 -0.169 -1.946 -37.196 1.00 0.00 C ATOM 160 CG LEU A 12 0.642 -1.029 -38.188 1.00 0.00 C ATOM 161 CD1 LEU A 12 0.983 -1.751 -39.516 1.00 0.00 C ATOM 162 CD2 LEU A 12 -0.092 0.313 -38.455 1.00 0.00 C ATOM 0 H LEU A 12 2.051 -1.404 -35.758 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.103 -3.457 -35.670 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.835 -2.572 -37.790 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.799 -1.300 -36.585 1.00 0.00 H new ATOM 0 HG LEU A 12 1.588 -0.803 -37.696 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.542 -1.076 -40.164 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.586 -2.634 -39.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.061 -2.052 -40.014 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.497 0.919 -39.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.069 0.112 -38.894 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.220 0.851 -37.516 1.00 0.00 H new ATOM 174 N VAL A 13 0.910 -5.060 -37.301 1.00 0.00 N ATOM 175 CA VAL A 13 1.567 -6.177 -38.007 1.00 0.00 C ATOM 176 C VAL A 13 0.510 -6.920 -38.849 1.00 0.00 C ATOM 177 O VAL A 13 -0.636 -7.014 -38.437 1.00 0.00 O ATOM 178 CB VAL A 13 2.283 -7.145 -36.981 1.00 0.00 C ATOM 179 CG1 VAL A 13 1.302 -7.674 -35.909 1.00 0.00 C ATOM 180 CG2 VAL A 13 3.014 -8.305 -37.699 1.00 0.00 C ATOM 0 H VAL A 13 -0.067 -5.250 -37.076 1.00 0.00 H new ATOM 0 HA VAL A 13 2.341 -5.792 -38.671 1.00 0.00 H new ATOM 0 HB VAL A 13 3.040 -6.554 -36.465 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.833 -8.335 -35.224 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.884 -6.835 -35.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.496 -8.225 -36.394 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.493 -8.947 -36.959 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.295 -8.888 -38.274 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.770 -7.898 -38.370 1.00 0.00 H new ATOM 190 N GLN A 14 0.893 -7.433 -40.029 1.00 0.00 N ATOM 191 CA GLN A 14 -0.061 -8.027 -40.996 1.00 0.00 C ATOM 192 C GLN A 14 -0.590 -9.399 -40.520 1.00 0.00 C ATOM 193 O GLN A 14 0.032 -10.064 -39.678 1.00 0.00 O ATOM 194 CB GLN A 14 0.584 -8.126 -42.414 1.00 0.00 C ATOM 195 CG GLN A 14 0.728 -6.782 -43.171 1.00 0.00 C ATOM 196 CD GLN A 14 1.661 -5.757 -42.511 1.00 0.00 C ATOM 197 OE1 GLN A 14 2.861 -5.752 -42.758 1.00 0.00 O ATOM 198 NE2 GLN A 14 1.124 -4.900 -41.647 1.00 0.00 N ATOM 0 H GLN A 14 1.863 -7.451 -40.344 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.923 -7.363 -41.058 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.572 -8.576 -42.315 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.016 -8.804 -43.021 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.094 -6.987 -44.177 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.260 -6.335 -43.276 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.122 -4.926 -41.459 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.714 -4.217 -41.172 1.00 0.00 H new ATOM 207 N ALA A 15 -1.760 -9.795 -41.068 1.00 0.00 N ATOM 208 CA ALA A 15 -2.436 -11.070 -40.740 1.00 0.00 C ATOM 209 C ALA A 15 -1.574 -12.279 -41.145 1.00 0.00 C ATOM 210 O ALA A 15 -1.319 -12.495 -42.336 1.00 0.00 O ATOM 211 CB ALA A 15 -3.814 -11.132 -41.422 1.00 0.00 C ATOM 0 H ALA A 15 -2.265 -9.235 -41.755 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.577 -11.112 -39.660 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.301 -12.075 -41.173 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.430 -10.302 -41.074 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.689 -11.063 -42.503 1.00 0.00 H new ATOM 217 N GLY A 16 -1.123 -13.045 -40.137 1.00 0.00 N ATOM 218 CA GLY A 16 -0.208 -14.178 -40.327 1.00 0.00 C ATOM 219 C GLY A 16 1.164 -13.915 -39.713 1.00 0.00 C ATOM 220 O GLY A 16 1.990 -14.834 -39.589 1.00 0.00 O ATOM 0 H GLY A 16 -1.386 -12.893 -39.163 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.640 -15.072 -39.878 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.096 -14.378 -41.393 1.00 0.00 H new ATOM 224 N GLY A 17 1.387 -12.651 -39.298 1.00 0.00 N ATOM 225 CA GLY A 17 2.636 -12.228 -38.670 1.00 0.00 C ATOM 226 C GLY A 17 2.640 -12.447 -37.162 1.00 0.00 C ATOM 227 O GLY A 17 1.807 -13.188 -36.623 1.00 0.00 O ATOM 0 H GLY A 17 0.701 -11.902 -39.393 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.466 -12.777 -39.115 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.804 -11.172 -38.880 1.00 0.00 H new ATOM 231 N SER A 18 3.583 -11.793 -36.478 1.00 0.00 N ATOM 232 CA SER A 18 3.784 -11.945 -35.029 1.00 0.00 C ATOM 233 C SER A 18 4.188 -10.596 -34.410 1.00 0.00 C ATOM 234 O SER A 18 4.681 -9.707 -35.117 1.00 0.00 O ATOM 235 CB SER A 18 4.868 -13.021 -34.772 1.00 0.00 C ATOM 236 OG SER A 18 6.090 -12.692 -35.420 1.00 0.00 O ATOM 0 H SER A 18 4.233 -11.139 -36.914 1.00 0.00 H new ATOM 0 HA SER A 18 2.854 -12.267 -34.560 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.038 -13.119 -33.700 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.514 -13.988 -35.129 1.00 0.00 H new ATOM 0 HG SER A 18 6.755 -13.389 -35.238 1.00 0.00 H new ATOM 242 N LEU A 19 3.972 -10.449 -33.094 1.00 0.00 N ATOM 243 CA LEU A 19 4.354 -9.237 -32.347 1.00 0.00 C ATOM 244 C LEU A 19 4.692 -9.617 -30.899 1.00 0.00 C ATOM 245 O LEU A 19 3.854 -10.172 -30.182 1.00 0.00 O ATOM 246 CB LEU A 19 3.221 -8.172 -32.403 1.00 0.00 C ATOM 247 CG LEU A 19 3.518 -6.793 -31.726 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.786 -6.127 -32.311 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.292 -5.856 -31.831 1.00 0.00 C ATOM 0 H LEU A 19 3.529 -11.164 -32.517 1.00 0.00 H new ATOM 0 HA LEU A 19 5.237 -8.794 -32.808 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.975 -7.991 -33.449 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.332 -8.596 -31.936 1.00 0.00 H new ATOM 0 HG LEU A 19 3.714 -6.979 -30.670 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.957 -5.172 -31.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.645 -6.778 -32.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.650 -5.961 -33.380 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.521 -4.903 -31.354 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.051 -5.688 -32.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.439 -6.316 -31.332 1.00 0.00 H new ATOM 261 N ARG A 20 5.941 -9.337 -30.497 1.00 0.00 N ATOM 262 CA ARG A 20 6.446 -9.621 -29.148 1.00 0.00 C ATOM 263 C ARG A 20 6.342 -8.359 -28.275 1.00 0.00 C ATOM 264 O ARG A 20 6.962 -7.334 -28.572 1.00 0.00 O ATOM 265 CB ARG A 20 7.910 -10.134 -29.215 1.00 0.00 C ATOM 266 CG ARG A 20 8.523 -10.507 -27.845 1.00 0.00 C ATOM 267 CD ARG A 20 9.969 -11.012 -27.969 1.00 0.00 C ATOM 268 NE ARG A 20 10.548 -11.382 -26.662 1.00 0.00 N ATOM 269 CZ ARG A 20 10.848 -12.630 -26.268 1.00 0.00 C ATOM 270 NH1 ARG A 20 10.571 -13.681 -27.038 1.00 0.00 N ATOM 271 NH2 ARG A 20 11.423 -12.820 -25.091 1.00 0.00 N ATOM 0 H ARG A 20 6.634 -8.903 -31.106 1.00 0.00 H new ATOM 0 HA ARG A 20 5.837 -10.404 -28.696 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.946 -11.008 -29.865 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.530 -9.367 -29.679 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.500 -9.636 -27.190 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.911 -11.276 -27.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.994 -11.876 -28.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.583 -10.239 -28.430 1.00 0.00 H new ATOM 0 HE ARG A 20 10.736 -10.626 -26.003 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.123 -13.545 -27.944 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.807 -14.622 -26.721 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.634 -12.022 -24.492 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.655 -13.764 -24.783 1.00 0.00 H new ATOM 285 N LEU A 21 5.517 -8.441 -27.225 1.00 0.00 N ATOM 286 CA LEU A 21 5.316 -7.361 -26.245 1.00 0.00 C ATOM 287 C LEU A 21 6.312 -7.507 -25.081 1.00 0.00 C ATOM 288 O LEU A 21 6.809 -8.610 -24.804 1.00 0.00 O ATOM 289 CB LEU A 21 3.856 -7.366 -25.691 1.00 0.00 C ATOM 290 CG LEU A 21 2.693 -7.160 -26.721 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.955 -5.966 -27.651 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.386 -8.439 -27.515 1.00 0.00 C ATOM 0 H LEU A 21 4.960 -9.272 -27.027 1.00 0.00 H new ATOM 0 HA LEU A 21 5.488 -6.412 -26.753 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.692 -8.316 -25.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.780 -6.584 -24.936 1.00 0.00 H new ATOM 0 HG LEU A 21 1.801 -6.927 -26.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.124 -5.859 -28.349 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.050 -5.057 -27.058 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.877 -6.134 -28.207 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.573 -8.246 -28.215 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.275 -8.747 -28.066 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.092 -9.232 -26.828 1.00 0.00 H new ATOM 304 N SER A 22 6.580 -6.387 -24.401 1.00 0.00 N ATOM 305 CA SER A 22 7.475 -6.336 -23.238 1.00 0.00 C ATOM 306 C SER A 22 6.796 -5.546 -22.110 1.00 0.00 C ATOM 307 O SER A 22 6.080 -4.576 -22.380 1.00 0.00 O ATOM 308 CB SER A 22 8.819 -5.688 -23.634 1.00 0.00 C ATOM 309 OG SER A 22 9.754 -5.757 -22.570 1.00 0.00 O ATOM 0 H SER A 22 6.178 -5.481 -24.644 1.00 0.00 H new ATOM 0 HA SER A 22 7.679 -7.347 -22.885 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.224 -6.192 -24.511 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.656 -4.647 -23.912 1.00 0.00 H new ATOM 0 HG SER A 22 10.196 -6.631 -22.579 1.00 0.00 H new ATOM 315 N CYS A 23 7.040 -5.954 -20.853 1.00 0.00 N ATOM 316 CA CYS A 23 6.405 -5.350 -19.668 1.00 0.00 C ATOM 317 C CYS A 23 7.368 -5.376 -18.471 1.00 0.00 C ATOM 318 O CYS A 23 7.785 -6.442 -18.041 1.00 0.00 O ATOM 319 CB CYS A 23 5.097 -6.091 -19.303 1.00 0.00 C ATOM 320 SG CYS A 23 4.253 -5.431 -17.843 1.00 0.00 S ATOM 0 H CYS A 23 7.684 -6.713 -20.629 1.00 0.00 H new ATOM 0 HA CYS A 23 6.163 -4.315 -19.909 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.417 -6.045 -20.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.324 -7.143 -19.133 1.00 0.00 H new ATOM 0 HG CYS A 23 3.514 -6.359 -17.312 1.00 0.00 H new ATOM 326 N ALA A 24 7.716 -4.197 -17.938 1.00 0.00 N ATOM 327 CA ALA A 24 8.589 -4.076 -16.762 1.00 0.00 C ATOM 328 C ALA A 24 7.755 -4.189 -15.472 1.00 0.00 C ATOM 329 O ALA A 24 6.750 -3.490 -15.322 1.00 0.00 O ATOM 330 CB ALA A 24 9.350 -2.745 -16.814 1.00 0.00 C ATOM 0 H ALA A 24 7.401 -3.301 -18.309 1.00 0.00 H new ATOM 0 HA ALA A 24 9.317 -4.887 -16.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.996 -2.661 -15.940 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.957 -2.708 -17.718 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.639 -1.919 -16.821 1.00 0.00 H new ATOM 336 N ALA A 25 8.189 -5.058 -14.548 1.00 0.00 N ATOM 337 CA ALA A 25 7.487 -5.336 -13.279 1.00 0.00 C ATOM 338 C ALA A 25 8.247 -4.701 -12.103 1.00 0.00 C ATOM 339 O ALA A 25 9.458 -4.903 -11.957 1.00 0.00 O ATOM 340 CB ALA A 25 7.354 -6.858 -13.084 1.00 0.00 C ATOM 0 H ALA A 25 9.048 -5.596 -14.659 1.00 0.00 H new ATOM 0 HA ALA A 25 6.489 -4.899 -13.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.836 -7.061 -12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.786 -7.283 -13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.346 -7.309 -13.055 1.00 0.00 H new ATOM 346 N SER A 26 7.527 -3.930 -11.273 1.00 0.00 N ATOM 347 CA SER A 26 8.089 -3.218 -10.109 1.00 0.00 C ATOM 348 C SER A 26 7.081 -3.240 -8.948 1.00 0.00 C ATOM 349 O SER A 26 5.885 -3.437 -9.164 1.00 0.00 O ATOM 350 CB SER A 26 8.432 -1.761 -10.504 1.00 0.00 C ATOM 351 OG SER A 26 9.354 -1.728 -11.581 1.00 0.00 O ATOM 0 H SER A 26 6.525 -3.780 -11.391 1.00 0.00 H new ATOM 0 HA SER A 26 9.003 -3.716 -9.785 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.521 -1.233 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.852 -1.237 -9.645 1.00 0.00 H new ATOM 0 HG SER A 26 9.553 -0.797 -11.813 1.00 0.00 H new ATOM 357 N GLY A 27 7.574 -3.028 -7.718 1.00 0.00 N ATOM 358 CA GLY A 27 6.730 -2.999 -6.517 1.00 0.00 C ATOM 359 C GLY A 27 6.843 -4.284 -5.700 1.00 0.00 C ATOM 360 O GLY A 27 7.937 -4.634 -5.237 1.00 0.00 O ATOM 0 H GLY A 27 8.564 -2.873 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.014 -2.150 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.691 -2.847 -6.809 1.00 0.00 H new ATOM 364 N ARG A 28 5.715 -5.006 -5.558 1.00 0.00 N ATOM 365 CA ARG A 28 5.620 -6.219 -4.715 1.00 0.00 C ATOM 366 C ARG A 28 6.266 -7.421 -5.440 1.00 0.00 C ATOM 367 O ARG A 28 6.507 -7.364 -6.656 1.00 0.00 O ATOM 368 CB ARG A 28 4.121 -6.503 -4.365 1.00 0.00 C ATOM 369 CG ARG A 28 3.901 -7.410 -3.127 1.00 0.00 C ATOM 370 CD ARG A 28 2.412 -7.571 -2.760 1.00 0.00 C ATOM 371 NE ARG A 28 2.221 -8.215 -1.443 1.00 0.00 N ATOM 372 CZ ARG A 28 1.043 -8.366 -0.825 1.00 0.00 C ATOM 373 NH1 ARG A 28 -0.087 -8.007 -1.415 1.00 0.00 N ATOM 374 NH2 ARG A 28 1.002 -8.914 0.375 1.00 0.00 N ATOM 0 H ARG A 28 4.840 -4.766 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 28 6.163 -6.059 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.616 -5.552 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.643 -6.968 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.331 -8.393 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.437 -6.991 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.934 -6.591 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.914 -8.164 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 28 3.051 -8.572 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.068 -7.609 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.976 -8.129 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.864 -9.219 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.108 -9.032 0.851 1.00 0.00 H new ATOM 388 N THR A 29 6.559 -8.496 -4.690 1.00 0.00 N ATOM 389 CA THR A 29 7.173 -9.713 -5.240 1.00 0.00 C ATOM 390 C THR A 29 6.174 -10.483 -6.145 1.00 0.00 C ATOM 391 O THR A 29 5.308 -11.220 -5.657 1.00 0.00 O ATOM 392 CB THR A 29 7.729 -10.627 -4.085 1.00 0.00 C ATOM 393 OG1 THR A 29 6.701 -10.886 -3.115 1.00 0.00 O ATOM 394 CG2 THR A 29 8.924 -9.975 -3.364 1.00 0.00 C ATOM 0 H THR A 29 6.377 -8.545 -3.688 1.00 0.00 H new ATOM 0 HA THR A 29 8.016 -9.417 -5.865 1.00 0.00 H new ATOM 0 HB THR A 29 8.060 -11.557 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.873 -11.137 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.278 -10.638 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.728 -9.800 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.612 -9.026 -2.928 1.00 0.00 H new ATOM 402 N PHE A 30 6.285 -10.256 -7.477 1.00 0.00 N ATOM 403 CA PHE A 30 5.469 -10.953 -8.502 1.00 0.00 C ATOM 404 C PHE A 30 5.852 -12.447 -8.585 1.00 0.00 C ATOM 405 O PHE A 30 5.053 -13.286 -9.007 1.00 0.00 O ATOM 406 CB PHE A 30 5.626 -10.266 -9.892 1.00 0.00 C ATOM 407 CG PHE A 30 7.031 -10.317 -10.501 1.00 0.00 C ATOM 408 CD1 PHE A 30 7.398 -11.337 -11.386 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.986 -9.350 -10.189 1.00 0.00 C ATOM 410 CE1 PHE A 30 8.667 -11.388 -11.929 1.00 0.00 C ATOM 411 CE2 PHE A 30 9.253 -9.402 -10.736 1.00 0.00 C ATOM 412 CZ PHE A 30 9.593 -10.421 -11.603 1.00 0.00 C ATOM 0 H PHE A 30 6.943 -9.584 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 30 4.422 -10.887 -8.205 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.930 -10.733 -10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.328 -9.222 -9.797 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.677 -12.097 -11.649 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.731 -8.549 -9.510 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.933 -12.185 -12.608 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.980 -8.644 -10.485 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.586 -10.460 -12.026 1.00 0.00 H new ATOM 422 N SER A 31 7.093 -12.749 -8.160 1.00 0.00 N ATOM 423 CA SER A 31 7.629 -14.115 -8.098 1.00 0.00 C ATOM 424 C SER A 31 7.002 -14.940 -6.947 1.00 0.00 C ATOM 425 O SER A 31 7.364 -16.099 -6.743 1.00 0.00 O ATOM 426 CB SER A 31 9.165 -14.052 -7.968 1.00 0.00 C ATOM 427 OG SER A 31 9.559 -13.281 -6.839 1.00 0.00 O ATOM 0 H SER A 31 7.757 -12.041 -7.847 1.00 0.00 H new ATOM 0 HA SER A 31 7.364 -14.630 -9.021 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.566 -15.062 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.591 -13.619 -8.873 1.00 0.00 H new ATOM 0 HG SER A 31 10.537 -13.261 -6.782 1.00 0.00 H new ATOM 433 N SER A 32 6.084 -14.326 -6.180 1.00 0.00 N ATOM 434 CA SER A 32 5.296 -15.023 -5.151 1.00 0.00 C ATOM 435 C SER A 32 3.886 -15.376 -5.674 1.00 0.00 C ATOM 436 O SER A 32 3.150 -16.138 -5.027 1.00 0.00 O ATOM 437 CB SER A 32 5.206 -14.142 -3.887 1.00 0.00 C ATOM 438 OG SER A 32 4.525 -14.801 -2.829 1.00 0.00 O ATOM 0 H SER A 32 5.868 -13.332 -6.257 1.00 0.00 H new ATOM 0 HA SER A 32 5.796 -15.959 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.210 -13.873 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.689 -13.213 -4.128 1.00 0.00 H new ATOM 0 HG SER A 32 3.968 -15.519 -3.196 1.00 0.00 H new ATOM 444 N TYR A 33 3.514 -14.842 -6.858 1.00 0.00 N ATOM 445 CA TYR A 33 2.143 -14.970 -7.409 1.00 0.00 C ATOM 446 C TYR A 33 2.133 -15.607 -8.805 1.00 0.00 C ATOM 447 O TYR A 33 3.174 -15.786 -9.436 1.00 0.00 O ATOM 448 CB TYR A 33 1.459 -13.574 -7.497 1.00 0.00 C ATOM 449 CG TYR A 33 1.312 -12.852 -6.159 1.00 0.00 C ATOM 450 CD1 TYR A 33 1.777 -11.546 -5.974 1.00 0.00 C ATOM 451 CD2 TYR A 33 0.712 -13.490 -5.074 1.00 0.00 C ATOM 452 CE1 TYR A 33 1.646 -10.911 -4.752 1.00 0.00 C ATOM 453 CE2 TYR A 33 0.578 -12.858 -3.859 1.00 0.00 C ATOM 454 CZ TYR A 33 1.043 -11.576 -3.699 1.00 0.00 C ATOM 455 OH TYR A 33 0.911 -10.963 -2.473 1.00 0.00 O ATOM 0 H TYR A 33 4.149 -14.314 -7.456 1.00 0.00 H new ATOM 0 HA TYR A 33 1.595 -15.620 -6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.036 -12.943 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.470 -13.696 -7.940 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.245 -11.026 -6.797 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.345 -14.499 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.012 -9.903 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.108 -13.370 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 33 0.464 -11.572 -1.849 1.00 0.00 H new ATOM 465 N ALA A 34 0.917 -15.952 -9.260 1.00 0.00 N ATOM 466 CA ALA A 34 0.630 -16.312 -10.654 1.00 0.00 C ATOM 467 C ALA A 34 -0.007 -15.093 -11.344 1.00 0.00 C ATOM 468 O ALA A 34 -0.990 -14.528 -10.836 1.00 0.00 O ATOM 469 CB ALA A 34 -0.299 -17.542 -10.715 1.00 0.00 C ATOM 0 H ALA A 34 0.094 -15.988 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 34 1.551 -16.581 -11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.501 -17.794 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.183 -18.387 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.237 -17.315 -10.208 1.00 0.00 H new ATOM 475 N MET A 35 0.576 -14.671 -12.472 1.00 0.00 N ATOM 476 CA MET A 35 0.124 -13.482 -13.226 1.00 0.00 C ATOM 477 C MET A 35 -0.576 -13.905 -14.527 1.00 0.00 C ATOM 478 O MET A 35 -0.518 -15.067 -14.897 1.00 0.00 O ATOM 479 CB MET A 35 1.325 -12.547 -13.535 1.00 0.00 C ATOM 480 CG MET A 35 2.460 -13.186 -14.347 1.00 0.00 C ATOM 481 SD MET A 35 3.405 -11.975 -15.293 1.00 0.00 S ATOM 482 CE MET A 35 2.149 -11.369 -16.430 1.00 0.00 C ATOM 0 H MET A 35 1.377 -15.141 -12.894 1.00 0.00 H new ATOM 0 HA MET A 35 -0.591 -12.935 -12.612 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.957 -11.677 -14.078 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.734 -12.184 -12.592 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.131 -13.717 -13.671 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.042 -13.927 -15.028 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.628 -10.837 -17.252 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.580 -12.210 -16.825 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.477 -10.692 -15.903 1.00 0.00 H new ATOM 492 N GLY A 36 -1.220 -12.951 -15.222 1.00 0.00 N ATOM 493 CA GLY A 36 -1.933 -13.242 -16.468 1.00 0.00 C ATOM 494 C GLY A 36 -2.200 -12.004 -17.315 1.00 0.00 C ATOM 495 O GLY A 36 -2.366 -10.907 -16.784 1.00 0.00 O ATOM 0 H GLY A 36 -1.258 -11.972 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.352 -13.955 -17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.882 -13.723 -16.231 1.00 0.00 H new ATOM 499 N TRP A 37 -2.239 -12.194 -18.644 1.00 0.00 N ATOM 500 CA TRP A 37 -2.563 -11.139 -19.622 1.00 0.00 C ATOM 501 C TRP A 37 -4.042 -11.239 -20.033 1.00 0.00 C ATOM 502 O TRP A 37 -4.584 -12.349 -20.178 1.00 0.00 O ATOM 503 CB TRP A 37 -1.647 -11.250 -20.874 1.00 0.00 C ATOM 504 CG TRP A 37 -0.187 -10.956 -20.595 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.710 -11.754 -19.930 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.543 -9.774 -20.985 1.00 0.00 C ATOM 507 NE1 TRP A 37 1.938 -11.143 -19.880 1.00 0.00 N ATOM 508 CE2 TRP A 37 1.861 -9.928 -20.516 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.205 -8.604 -21.686 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.843 -8.955 -20.725 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.178 -7.641 -21.893 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.485 -7.823 -21.414 1.00 0.00 C ATOM 0 H TRP A 37 -2.044 -13.097 -19.077 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.389 -10.169 -19.156 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.733 -12.255 -21.287 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.007 -10.560 -21.638 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.483 -12.722 -19.508 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.774 -11.529 -19.441 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.798 -8.458 -22.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.849 -9.089 -20.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.928 -6.738 -22.430 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.225 -7.056 -21.591 1.00 0.00 H new ATOM 523 N PHE A 38 -4.681 -10.064 -20.195 1.00 0.00 N ATOM 524 CA PHE A 38 -6.109 -9.926 -20.547 1.00 0.00 C ATOM 525 C PHE A 38 -6.255 -8.801 -21.586 1.00 0.00 C ATOM 526 O PHE A 38 -5.683 -7.724 -21.395 1.00 0.00 O ATOM 527 CB PHE A 38 -6.954 -9.605 -19.280 1.00 0.00 C ATOM 528 CG PHE A 38 -6.855 -10.660 -18.178 1.00 0.00 C ATOM 529 CD1 PHE A 38 -5.998 -10.491 -17.087 1.00 0.00 C ATOM 530 CD2 PHE A 38 -7.596 -11.834 -18.253 1.00 0.00 C ATOM 531 CE1 PHE A 38 -5.891 -11.467 -16.111 1.00 0.00 C ATOM 532 CE2 PHE A 38 -7.493 -12.805 -17.277 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.639 -12.623 -16.207 1.00 0.00 C ATOM 0 H PHE A 38 -4.210 -9.166 -20.083 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.474 -10.864 -20.966 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.634 -8.644 -18.877 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.999 -9.497 -19.571 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.412 -9.588 -17.004 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.263 -11.989 -19.088 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.223 -11.324 -15.275 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.081 -13.708 -17.350 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.557 -13.385 -15.446 1.00 0.00 H new ATOM 543 N ARG A 39 -7.020 -9.036 -22.673 1.00 0.00 N ATOM 544 CA ARG A 39 -7.124 -8.067 -23.800 1.00 0.00 C ATOM 545 C ARG A 39 -8.544 -7.503 -23.921 1.00 0.00 C ATOM 546 O ARG A 39 -9.500 -8.109 -23.434 1.00 0.00 O ATOM 547 CB ARG A 39 -6.706 -8.718 -25.148 1.00 0.00 C ATOM 548 CG ARG A 39 -7.683 -9.799 -25.669 1.00 0.00 C ATOM 549 CD ARG A 39 -7.268 -10.405 -27.016 1.00 0.00 C ATOM 550 NE ARG A 39 -8.198 -11.463 -27.460 1.00 0.00 N ATOM 551 CZ ARG A 39 -7.989 -12.303 -28.484 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.863 -12.256 -29.193 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.917 -13.203 -28.781 1.00 0.00 N ATOM 0 H ARG A 39 -7.575 -9.882 -22.800 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.438 -7.249 -23.579 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.614 -7.936 -25.902 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.719 -9.165 -25.030 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.758 -10.596 -24.929 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.676 -9.362 -25.768 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.228 -9.619 -27.770 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.263 -10.818 -26.933 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.072 -11.563 -26.945 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.142 -11.573 -28.960 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.721 -12.903 -29.969 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.776 -13.250 -28.233 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.772 -13.848 -29.557 1.00 0.00 H new ATOM 567 N GLN A 40 -8.657 -6.341 -24.594 1.00 0.00 N ATOM 568 CA GLN A 40 -9.951 -5.690 -24.886 1.00 0.00 C ATOM 569 C GLN A 40 -9.768 -4.544 -25.899 1.00 0.00 C ATOM 570 O GLN A 40 -8.700 -3.962 -25.963 1.00 0.00 O ATOM 571 CB GLN A 40 -10.589 -5.157 -23.576 1.00 0.00 C ATOM 572 CG GLN A 40 -9.730 -4.153 -22.767 1.00 0.00 C ATOM 573 CD GLN A 40 -10.394 -3.643 -21.476 1.00 0.00 C ATOM 574 OE1 GLN A 40 -11.715 -3.503 -21.470 1.00 0.00 O flip ATOM 575 NE2 GLN A 40 -9.715 -3.354 -20.491 1.00 0.00 N flip ATOM 0 H GLN A 40 -7.852 -5.826 -24.951 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.619 -6.431 -25.326 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.536 -4.678 -23.824 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.820 -6.007 -22.935 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.783 -4.628 -22.511 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.496 -3.299 -23.403 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.702 -3.470 -20.518 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.165 -2.999 -19.648 1.00 0.00 H new ATOM 584 N ALA A 41 -10.820 -4.246 -26.694 1.00 0.00 N ATOM 585 CA ALA A 41 -10.841 -3.100 -27.644 1.00 0.00 C ATOM 586 C ALA A 41 -12.195 -3.025 -28.400 1.00 0.00 C ATOM 587 O ALA A 41 -12.872 -1.995 -28.307 1.00 0.00 O ATOM 588 CB ALA A 41 -9.666 -3.091 -28.659 1.00 0.00 C ATOM 0 H ALA A 41 -11.682 -4.791 -26.698 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.716 -2.214 -27.022 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.757 -2.224 -29.313 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.720 -3.041 -28.120 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.695 -4.002 -29.257 1.00 0.00 H new ATOM 594 N PRO A 42 -12.640 -4.111 -29.153 1.00 0.00 N ATOM 595 CA PRO A 42 -13.829 -4.029 -30.041 1.00 0.00 C ATOM 596 C PRO A 42 -15.157 -4.254 -29.271 1.00 0.00 C ATOM 597 O PRO A 42 -15.884 -5.228 -29.508 1.00 0.00 O ATOM 598 CB PRO A 42 -13.521 -5.134 -31.084 1.00 0.00 C ATOM 599 CG PRO A 42 -12.840 -6.213 -30.295 1.00 0.00 C ATOM 600 CD PRO A 42 -12.054 -5.499 -29.201 1.00 0.00 C ATOM 0 HA PRO A 42 -13.982 -3.049 -30.493 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.433 -5.501 -31.555 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.879 -4.760 -31.882 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.568 -6.902 -29.867 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.178 -6.802 -30.930 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.159 -6.007 -28.242 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.989 -5.472 -29.432 1.00 0.00 H new ATOM 608 N GLY A 43 -15.458 -3.318 -28.354 1.00 0.00 N ATOM 609 CA GLY A 43 -16.616 -3.426 -27.467 1.00 0.00 C ATOM 610 C GLY A 43 -16.464 -4.533 -26.430 1.00 0.00 C ATOM 611 O GLY A 43 -17.458 -5.019 -25.879 1.00 0.00 O ATOM 0 H GLY A 43 -14.905 -2.472 -28.212 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.767 -2.475 -26.957 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.509 -3.613 -28.064 1.00 0.00 H new ATOM 615 N LYS A 44 -15.209 -4.912 -26.157 1.00 0.00 N ATOM 616 CA LYS A 44 -14.863 -6.010 -25.237 1.00 0.00 C ATOM 617 C LYS A 44 -14.370 -5.464 -23.887 1.00 0.00 C ATOM 618 O LYS A 44 -13.785 -4.376 -23.812 1.00 0.00 O ATOM 619 CB LYS A 44 -13.771 -6.930 -25.883 1.00 0.00 C ATOM 620 CG LYS A 44 -14.312 -8.107 -26.730 1.00 0.00 C ATOM 621 CD LYS A 44 -15.043 -9.153 -25.854 1.00 0.00 C ATOM 622 CE LYS A 44 -15.470 -10.412 -26.632 1.00 0.00 C ATOM 623 NZ LYS A 44 -16.506 -10.123 -27.660 1.00 0.00 N ATOM 0 H LYS A 44 -14.394 -4.461 -26.572 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.762 -6.599 -25.055 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.129 -6.315 -26.514 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.144 -7.334 -25.088 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.996 -7.726 -27.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.487 -8.586 -27.257 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.391 -9.447 -25.032 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.926 -8.692 -25.411 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.597 -10.851 -27.115 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.854 -11.154 -25.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.759 -11.002 -28.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.351 -9.729 -27.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.133 -9.435 -28.345 1.00 0.00 H new ATOM 637 N GLU A 45 -14.639 -6.239 -22.830 1.00 0.00 N ATOM 638 CA GLU A 45 -13.997 -6.103 -21.512 1.00 0.00 C ATOM 639 C GLU A 45 -12.755 -7.016 -21.481 1.00 0.00 C ATOM 640 O GLU A 45 -12.471 -7.708 -22.478 1.00 0.00 O ATOM 641 CB GLU A 45 -14.996 -6.502 -20.393 1.00 0.00 C ATOM 642 CG GLU A 45 -16.256 -5.617 -20.325 1.00 0.00 C ATOM 643 CD GLU A 45 -17.291 -6.105 -19.295 1.00 0.00 C ATOM 644 OE1 GLU A 45 -18.212 -6.861 -19.674 1.00 0.00 O ATOM 645 OE2 GLU A 45 -17.190 -5.738 -18.102 1.00 0.00 O ATOM 0 H GLU A 45 -15.323 -6.995 -22.865 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.696 -5.069 -21.343 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.301 -7.537 -20.546 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.484 -6.459 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.962 -4.597 -20.078 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.722 -5.585 -21.310 1.00 0.00 H new ATOM 652 N ARG A 46 -12.006 -7.011 -20.363 1.00 0.00 N ATOM 653 CA ARG A 46 -10.811 -7.869 -20.209 1.00 0.00 C ATOM 654 C ARG A 46 -11.207 -9.358 -20.308 1.00 0.00 C ATOM 655 O ARG A 46 -11.828 -9.903 -19.388 1.00 0.00 O ATOM 656 CB ARG A 46 -10.118 -7.605 -18.847 1.00 0.00 C ATOM 657 CG ARG A 46 -9.564 -6.179 -18.659 1.00 0.00 C ATOM 658 CD ARG A 46 -8.894 -6.004 -17.286 1.00 0.00 C ATOM 659 NE ARG A 46 -8.415 -4.629 -17.051 1.00 0.00 N ATOM 660 CZ ARG A 46 -7.558 -4.275 -16.079 1.00 0.00 C ATOM 661 NH1 ARG A 46 -7.018 -5.190 -15.270 1.00 0.00 N ATOM 662 NH2 ARG A 46 -7.226 -3.006 -15.930 1.00 0.00 N ATOM 0 H ARG A 46 -12.205 -6.424 -19.553 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.114 -7.627 -21.011 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.832 -7.809 -18.049 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.299 -8.314 -18.731 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.842 -5.963 -19.446 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.374 -5.457 -18.763 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.604 -6.274 -16.504 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.054 -6.694 -17.207 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.759 -3.895 -17.670 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.255 -6.176 -15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.369 -4.903 -14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.620 -2.299 -16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.576 -2.732 -15.193 1.00 0.00 H new ATOM 676 N GLU A 47 -10.884 -9.984 -21.451 1.00 0.00 N ATOM 677 CA GLU A 47 -11.108 -11.421 -21.670 1.00 0.00 C ATOM 678 C GLU A 47 -9.815 -12.189 -21.372 1.00 0.00 C ATOM 679 O GLU A 47 -8.708 -11.649 -21.538 1.00 0.00 O ATOM 680 CB GLU A 47 -11.597 -11.693 -23.126 1.00 0.00 C ATOM 681 CG GLU A 47 -10.633 -11.231 -24.234 1.00 0.00 C ATOM 682 CD GLU A 47 -11.147 -11.513 -25.655 1.00 0.00 C ATOM 683 OE1 GLU A 47 -10.798 -12.573 -26.230 1.00 0.00 O ATOM 684 OE2 GLU A 47 -11.893 -10.680 -26.208 1.00 0.00 O ATOM 0 H GLU A 47 -10.461 -9.508 -22.248 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.890 -11.767 -20.994 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.772 -12.763 -23.240 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.556 -11.196 -23.270 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.456 -10.161 -24.127 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.673 -11.728 -24.099 1.00 0.00 H new ATOM 691 N PHE A 48 -9.975 -13.442 -20.921 1.00 0.00 N ATOM 692 CA PHE A 48 -8.860 -14.341 -20.596 1.00 0.00 C ATOM 693 C PHE A 48 -8.026 -14.640 -21.849 1.00 0.00 C ATOM 694 O PHE A 48 -8.520 -15.256 -22.797 1.00 0.00 O ATOM 695 CB PHE A 48 -9.402 -15.653 -19.959 1.00 0.00 C ATOM 696 CG PHE A 48 -8.354 -16.754 -19.759 1.00 0.00 C ATOM 697 CD1 PHE A 48 -8.402 -17.937 -20.502 1.00 0.00 C ATOM 698 CD2 PHE A 48 -7.311 -16.601 -18.845 1.00 0.00 C ATOM 699 CE1 PHE A 48 -7.447 -18.921 -20.337 1.00 0.00 C ATOM 700 CE2 PHE A 48 -6.360 -17.595 -18.686 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.429 -18.749 -19.431 1.00 0.00 C ATOM 0 H PHE A 48 -10.892 -13.863 -20.770 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.210 -13.850 -19.872 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.846 -15.414 -18.993 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.201 -16.043 -20.589 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.198 -18.084 -21.216 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.245 -15.698 -18.256 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.501 -19.828 -20.922 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.560 -17.463 -17.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.683 -19.520 -19.304 1.00 0.00 H new ATOM 711 N VAL A 49 -6.778 -14.143 -21.859 1.00 0.00 N ATOM 712 CA VAL A 49 -5.792 -14.503 -22.882 1.00 0.00 C ATOM 713 C VAL A 49 -4.982 -15.699 -22.370 1.00 0.00 C ATOM 714 O VAL A 49 -5.125 -16.811 -22.884 1.00 0.00 O ATOM 715 CB VAL A 49 -4.836 -13.307 -23.240 1.00 0.00 C ATOM 716 CG1 VAL A 49 -3.797 -13.701 -24.321 1.00 0.00 C ATOM 717 CG2 VAL A 49 -5.654 -12.076 -23.674 1.00 0.00 C ATOM 0 H VAL A 49 -6.429 -13.485 -21.162 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.321 -14.761 -23.800 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.275 -13.049 -22.341 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.157 -12.846 -24.539 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.187 -14.527 -23.956 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.316 -14.007 -25.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.977 -11.257 -23.918 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.251 -12.327 -24.550 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.313 -11.772 -22.861 1.00 0.00 H new ATOM 727 N ALA A 50 -4.183 -15.477 -21.305 1.00 0.00 N ATOM 728 CA ALA A 50 -3.295 -16.518 -20.765 1.00 0.00 C ATOM 729 C ALA A 50 -2.753 -16.143 -19.378 1.00 0.00 C ATOM 730 O ALA A 50 -2.317 -15.017 -19.168 1.00 0.00 O ATOM 731 CB ALA A 50 -2.138 -16.791 -21.741 1.00 0.00 C ATOM 0 H ALA A 50 -4.137 -14.588 -20.806 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.884 -17.428 -20.649 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.489 -17.563 -21.329 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.540 -17.127 -22.697 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.564 -15.876 -21.890 1.00 0.00 H new ATOM 737 N VAL A 51 -2.776 -17.114 -18.448 1.00 0.00 N ATOM 738 CA VAL A 51 -2.203 -16.981 -17.091 1.00 0.00 C ATOM 739 C VAL A 51 -0.964 -17.885 -16.974 1.00 0.00 C ATOM 740 O VAL A 51 -0.994 -19.042 -17.385 1.00 0.00 O ATOM 741 CB VAL A 51 -3.271 -17.329 -15.973 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.638 -17.475 -14.559 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.402 -16.264 -15.947 1.00 0.00 C ATOM 0 H VAL A 51 -3.198 -18.027 -18.617 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.907 -15.944 -16.934 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.693 -18.299 -16.236 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.417 -17.713 -13.835 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.898 -18.275 -14.573 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.155 -16.539 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.125 -16.520 -15.173 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.974 -15.284 -15.734 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.901 -16.239 -16.916 1.00 0.00 H new ATOM 753 N VAL A 52 0.136 -17.334 -16.446 1.00 0.00 N ATOM 754 CA VAL A 52 1.405 -18.062 -16.255 1.00 0.00 C ATOM 755 C VAL A 52 1.782 -18.107 -14.760 1.00 0.00 C ATOM 756 O VAL A 52 1.404 -17.222 -13.977 1.00 0.00 O ATOM 757 CB VAL A 52 2.560 -17.388 -17.095 1.00 0.00 C ATOM 758 CG1 VAL A 52 2.870 -15.959 -16.595 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.851 -18.254 -17.148 1.00 0.00 C ATOM 0 H VAL A 52 0.175 -16.363 -16.136 1.00 0.00 H new ATOM 0 HA VAL A 52 1.272 -19.085 -16.608 1.00 0.00 H new ATOM 0 HB VAL A 52 2.188 -17.315 -18.117 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.670 -15.528 -17.197 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.976 -15.341 -16.683 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.183 -15.998 -15.552 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.610 -17.740 -17.739 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.225 -18.413 -16.136 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.625 -19.217 -17.606 1.00 0.00 H new ATOM 769 N ASN A 53 2.503 -19.168 -14.377 1.00 0.00 N ATOM 770 CA ASN A 53 3.136 -19.299 -13.053 1.00 0.00 C ATOM 771 C ASN A 53 4.399 -18.403 -13.001 1.00 0.00 C ATOM 772 O ASN A 53 4.983 -18.096 -14.046 1.00 0.00 O ATOM 773 CB ASN A 53 3.495 -20.793 -12.821 1.00 0.00 C ATOM 774 CG ASN A 53 4.050 -21.102 -11.432 1.00 0.00 C ATOM 775 OD1 ASN A 53 5.255 -21.043 -11.206 1.00 0.00 O ATOM 776 ND2 ASN A 53 3.172 -21.442 -10.497 1.00 0.00 N ATOM 0 H ASN A 53 2.667 -19.971 -14.984 1.00 0.00 H new ATOM 0 HA ASN A 53 2.457 -18.975 -12.265 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.603 -21.398 -12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.228 -21.098 -13.568 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.491 -21.665 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.178 -21.481 -10.721 1.00 0.00 H new ATOM 783 N TRP A 54 4.825 -18.012 -11.787 1.00 0.00 N ATOM 784 CA TRP A 54 5.987 -17.113 -11.582 1.00 0.00 C ATOM 785 C TRP A 54 7.296 -17.682 -12.179 1.00 0.00 C ATOM 786 O TRP A 54 8.158 -16.929 -12.644 1.00 0.00 O ATOM 787 CB TRP A 54 6.170 -16.838 -10.068 1.00 0.00 C ATOM 788 CG TRP A 54 6.555 -18.052 -9.245 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.717 -19.002 -8.722 1.00 0.00 C ATOM 790 CD2 TRP A 54 7.885 -18.437 -8.857 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.447 -19.950 -8.054 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.777 -19.623 -8.121 1.00 0.00 C ATOM 793 CE3 TRP A 54 9.156 -17.884 -9.072 1.00 0.00 C ATOM 794 CZ2 TRP A 54 8.890 -20.276 -7.595 1.00 0.00 C ATOM 795 CZ3 TRP A 54 10.260 -18.529 -8.550 1.00 0.00 C ATOM 796 CH2 TRP A 54 10.121 -19.715 -7.818 1.00 0.00 C ATOM 0 H TRP A 54 4.378 -18.307 -10.919 1.00 0.00 H new ATOM 0 HA TRP A 54 5.776 -16.183 -12.111 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.936 -16.073 -9.942 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.241 -16.428 -9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.642 -19.003 -8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.062 -20.768 -7.582 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.269 -16.970 -9.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.787 -21.192 -7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.244 -18.113 -8.708 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.002 -20.198 -7.421 1.00 0.00 H new ATOM 807 N SER A 55 7.438 -19.018 -12.122 1.00 0.00 N ATOM 808 CA SER A 55 8.631 -19.734 -12.615 1.00 0.00 C ATOM 809 C SER A 55 8.430 -20.253 -14.052 1.00 0.00 C ATOM 810 O SER A 55 9.330 -20.888 -14.620 1.00 0.00 O ATOM 811 CB SER A 55 8.970 -20.897 -11.653 1.00 0.00 C ATOM 812 OG SER A 55 7.875 -21.785 -11.496 1.00 0.00 O ATOM 0 H SER A 55 6.726 -19.635 -11.731 1.00 0.00 H new ATOM 0 HA SER A 55 9.466 -19.034 -12.642 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.831 -21.445 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.254 -20.494 -10.681 1.00 0.00 H new ATOM 0 HG SER A 55 7.070 -21.275 -11.268 1.00 0.00 H new ATOM 818 N GLY A 56 7.251 -19.959 -14.638 1.00 0.00 N ATOM 819 CA GLY A 56 6.893 -20.442 -15.978 1.00 0.00 C ATOM 820 C GLY A 56 6.585 -21.944 -16.021 1.00 0.00 C ATOM 821 O GLY A 56 6.413 -22.516 -17.108 1.00 0.00 O ATOM 0 H GLY A 56 6.531 -19.386 -14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.024 -19.890 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.712 -20.227 -16.665 1.00 0.00 H new ATOM 825 N ARG A 57 6.487 -22.563 -14.827 1.00 0.00 N ATOM 826 CA ARG A 57 6.266 -24.016 -14.656 1.00 0.00 C ATOM 827 C ARG A 57 4.898 -24.441 -15.221 1.00 0.00 C ATOM 828 O ARG A 57 4.742 -25.539 -15.769 1.00 0.00 O ATOM 829 CB ARG A 57 6.360 -24.367 -13.145 1.00 0.00 C ATOM 830 CG ARG A 57 6.210 -25.869 -12.799 1.00 0.00 C ATOM 831 CD ARG A 57 6.341 -26.148 -11.290 1.00 0.00 C ATOM 832 NE ARG A 57 6.329 -27.597 -10.991 1.00 0.00 N ATOM 833 CZ ARG A 57 6.895 -28.178 -9.919 1.00 0.00 C ATOM 834 NH1 ARG A 57 7.526 -27.452 -9.002 1.00 0.00 N ATOM 835 NH2 ARG A 57 6.824 -29.497 -9.770 1.00 0.00 N ATOM 0 H ARG A 57 6.560 -22.062 -13.941 1.00 0.00 H new ATOM 0 HA ARG A 57 7.033 -24.558 -15.209 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.322 -24.020 -12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.589 -23.810 -12.612 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.239 -26.222 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.968 -26.439 -13.337 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.267 -25.709 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.523 -25.661 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 57 5.851 -28.207 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.586 -26.439 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.950 -27.908 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.342 -30.064 -10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.252 -29.942 -8.958 1.00 0.00 H new ATOM 849 N ARG A 58 3.916 -23.543 -15.068 1.00 0.00 N ATOM 850 CA ARG A 58 2.515 -23.766 -15.470 1.00 0.00 C ATOM 851 C ARG A 58 2.070 -22.631 -16.404 1.00 0.00 C ATOM 852 O ARG A 58 2.412 -21.472 -16.166 1.00 0.00 O ATOM 853 CB ARG A 58 1.618 -23.808 -14.203 1.00 0.00 C ATOM 854 CG ARG A 58 2.042 -24.870 -13.163 1.00 0.00 C ATOM 855 CD ARG A 58 1.209 -24.824 -11.877 1.00 0.00 C ATOM 856 NE ARG A 58 1.623 -25.877 -10.927 1.00 0.00 N ATOM 857 CZ ARG A 58 1.039 -26.132 -9.757 1.00 0.00 C ATOM 858 NH1 ARG A 58 0.032 -25.382 -9.326 1.00 0.00 N ATOM 859 NH2 ARG A 58 1.474 -27.134 -9.012 1.00 0.00 N ATOM 0 H ARG A 58 4.072 -22.624 -14.654 1.00 0.00 H new ATOM 0 HA ARG A 58 2.424 -24.715 -15.998 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.631 -22.826 -13.729 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.589 -24.002 -14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.955 -25.861 -13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.093 -24.724 -12.913 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.316 -23.846 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.154 -24.947 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 58 2.421 -26.456 -11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.302 -24.602 -9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.408 -25.586 -8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.253 -27.708 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.030 -27.333 -8.115 1.00 0.00 H new ATOM 873 N THR A 59 1.329 -22.972 -17.466 1.00 0.00 N ATOM 874 CA THR A 59 0.750 -21.993 -18.407 1.00 0.00 C ATOM 875 C THR A 59 -0.667 -22.438 -18.805 1.00 0.00 C ATOM 876 O THR A 59 -0.887 -23.601 -19.161 1.00 0.00 O ATOM 877 CB THR A 59 1.631 -21.815 -19.696 1.00 0.00 C ATOM 878 OG1 THR A 59 2.073 -23.101 -20.167 1.00 0.00 O ATOM 879 CG2 THR A 59 2.845 -20.893 -19.471 1.00 0.00 C ATOM 0 H THR A 59 1.111 -23.940 -17.702 1.00 0.00 H new ATOM 0 HA THR A 59 0.714 -21.029 -17.900 1.00 0.00 H new ATOM 0 HB THR A 59 1.003 -21.335 -20.447 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.620 -22.984 -20.972 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.415 -20.809 -20.397 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.500 -19.905 -19.166 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.480 -21.312 -18.691 1.00 0.00 H new ATOM 887 N TYR A 60 -1.609 -21.496 -18.736 1.00 0.00 N ATOM 888 CA TYR A 60 -3.023 -21.715 -19.042 1.00 0.00 C ATOM 889 C TYR A 60 -3.375 -20.790 -20.203 1.00 0.00 C ATOM 890 O TYR A 60 -3.286 -19.573 -20.055 1.00 0.00 O ATOM 891 CB TYR A 60 -3.895 -21.378 -17.792 1.00 0.00 C ATOM 892 CG TYR A 60 -3.376 -22.004 -16.479 1.00 0.00 C ATOM 893 CD1 TYR A 60 -2.514 -21.298 -15.623 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.714 -23.308 -16.115 1.00 0.00 C ATOM 895 CE1 TYR A 60 -2.018 -21.872 -14.464 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.223 -23.881 -14.950 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.374 -23.160 -14.133 1.00 0.00 C ATOM 898 OH TYR A 60 -1.878 -23.729 -12.982 1.00 0.00 O ATOM 0 H TYR A 60 -1.404 -20.536 -18.459 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.212 -22.755 -19.308 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.940 -20.295 -17.674 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.914 -21.722 -17.969 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.232 -20.286 -15.874 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.370 -23.882 -16.752 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.354 -21.311 -13.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.504 -24.889 -14.683 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.225 -24.641 -12.892 1.00 0.00 H new ATOM 908 N TYR A 61 -3.733 -21.356 -21.357 1.00 0.00 N ATOM 909 CA TYR A 61 -4.040 -20.570 -22.565 1.00 0.00 C ATOM 910 C TYR A 61 -5.533 -20.645 -22.879 1.00 0.00 C ATOM 911 O TYR A 61 -6.174 -21.672 -22.631 1.00 0.00 O ATOM 912 CB TYR A 61 -3.265 -21.110 -23.791 1.00 0.00 C ATOM 913 CG TYR A 61 -1.739 -21.154 -23.653 1.00 0.00 C ATOM 914 CD1 TYR A 61 -1.107 -22.247 -23.064 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.930 -20.109 -24.111 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.264 -22.300 -22.932 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.448 -20.164 -23.982 1.00 0.00 C ATOM 918 CZ TYR A 61 1.038 -21.259 -23.390 1.00 0.00 C ATOM 919 OH TYR A 61 2.408 -21.313 -23.247 1.00 0.00 O ATOM 0 H TYR A 61 -3.819 -22.364 -21.486 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.743 -19.540 -22.368 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.620 -22.118 -24.006 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.515 -20.493 -24.655 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.705 -23.071 -22.703 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.387 -19.246 -24.572 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.730 -23.158 -22.470 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.058 -19.350 -24.345 1.00 0.00 H new ATOM 0 HH TYR A 61 2.808 -20.501 -23.623 1.00 0.00 H new ATOM 929 N ALA A 62 -6.069 -19.554 -23.438 1.00 0.00 N ATOM 930 CA ALA A 62 -7.397 -19.548 -24.065 1.00 0.00 C ATOM 931 C ALA A 62 -7.303 -20.278 -25.418 1.00 0.00 C ATOM 932 O ALA A 62 -6.271 -20.190 -26.084 1.00 0.00 O ATOM 933 CB ALA A 62 -7.892 -18.105 -24.239 1.00 0.00 C ATOM 0 H ALA A 62 -5.596 -18.651 -23.469 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.118 -20.066 -23.432 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.877 -18.112 -24.705 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.955 -17.622 -23.264 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.195 -17.555 -24.872 1.00 0.00 H new ATOM 939 N ASP A 63 -8.372 -20.978 -25.826 1.00 0.00 N ATOM 940 CA ASP A 63 -8.327 -21.901 -26.990 1.00 0.00 C ATOM 941 C ASP A 63 -7.947 -21.180 -28.309 1.00 0.00 C ATOM 942 O ASP A 63 -7.253 -21.756 -29.156 1.00 0.00 O ATOM 943 CB ASP A 63 -9.683 -22.627 -27.143 1.00 0.00 C ATOM 944 CG ASP A 63 -9.653 -23.751 -28.205 1.00 0.00 C ATOM 945 OD1 ASP A 63 -10.205 -23.566 -29.310 1.00 0.00 O ATOM 946 OD2 ASP A 63 -9.071 -24.826 -27.931 1.00 0.00 O ATOM 0 H ASP A 63 -9.284 -20.928 -25.372 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.542 -22.631 -26.793 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.972 -23.051 -26.181 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.449 -21.900 -27.413 1.00 0.00 H new ATOM 951 N SER A 64 -8.380 -19.915 -28.453 1.00 0.00 N ATOM 952 CA SER A 64 -8.085 -19.093 -29.646 1.00 0.00 C ATOM 953 C SER A 64 -6.596 -18.676 -29.716 1.00 0.00 C ATOM 954 O SER A 64 -6.057 -18.451 -30.807 1.00 0.00 O ATOM 955 CB SER A 64 -8.975 -17.832 -29.644 1.00 0.00 C ATOM 956 OG SER A 64 -10.361 -18.171 -29.636 1.00 0.00 O ATOM 0 H SER A 64 -8.942 -19.433 -27.751 1.00 0.00 H new ATOM 0 HA SER A 64 -8.299 -19.703 -30.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.743 -17.223 -28.770 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.752 -17.227 -30.523 1.00 0.00 H new ATOM 0 HG SER A 64 -10.898 -17.351 -29.633 1.00 0.00 H new ATOM 962 N VAL A 65 -5.941 -18.562 -28.543 1.00 0.00 N ATOM 963 CA VAL A 65 -4.543 -18.084 -28.438 1.00 0.00 C ATOM 964 C VAL A 65 -3.581 -19.232 -28.038 1.00 0.00 C ATOM 965 O VAL A 65 -2.369 -19.018 -27.896 1.00 0.00 O ATOM 966 CB VAL A 65 -4.426 -16.885 -27.417 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.435 -15.752 -27.749 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.567 -17.359 -25.952 1.00 0.00 C ATOM 0 H VAL A 65 -6.362 -18.797 -27.644 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.248 -17.725 -29.424 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.423 -16.471 -27.524 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.326 -14.944 -27.026 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.238 -15.371 -28.751 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.451 -16.145 -27.704 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.480 -16.503 -25.283 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.540 -17.830 -25.814 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.780 -18.078 -25.725 1.00 0.00 H new ATOM 978 N LYS A 66 -4.134 -20.451 -27.889 1.00 0.00 N ATOM 979 CA LYS A 66 -3.397 -21.622 -27.372 1.00 0.00 C ATOM 980 C LYS A 66 -2.299 -22.084 -28.348 1.00 0.00 C ATOM 981 O LYS A 66 -2.584 -22.392 -29.509 1.00 0.00 O ATOM 982 CB LYS A 66 -4.375 -22.793 -27.085 1.00 0.00 C ATOM 983 CG LYS A 66 -3.717 -24.022 -26.410 1.00 0.00 C ATOM 984 CD LYS A 66 -4.646 -25.255 -26.351 1.00 0.00 C ATOM 985 CE LYS A 66 -5.069 -25.741 -27.754 1.00 0.00 C ATOM 986 NZ LYS A 66 -5.775 -27.045 -27.721 1.00 0.00 N ATOM 0 H LYS A 66 -5.106 -20.653 -28.124 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.914 -21.318 -26.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.180 -22.430 -26.446 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.830 -23.109 -28.024 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.810 -24.285 -26.954 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.415 -23.754 -25.397 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.138 -26.065 -25.827 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.536 -25.009 -25.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.717 -24.994 -28.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.185 -25.827 -28.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.036 -27.323 -28.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.150 -27.768 -27.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.635 -26.960 -27.142 1.00 0.00 H new ATOM 1000 N GLY A 67 -1.043 -22.082 -27.863 1.00 0.00 N ATOM 1001 CA GLY A 67 0.118 -22.599 -28.601 1.00 0.00 C ATOM 1002 C GLY A 67 0.750 -21.585 -29.552 1.00 0.00 C ATOM 1003 O GLY A 67 1.956 -21.651 -29.815 1.00 0.00 O ATOM 0 H GLY A 67 -0.807 -21.718 -26.940 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.872 -22.931 -27.887 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.188 -23.476 -29.172 1.00 0.00 H new ATOM 1007 N ARG A 68 -0.066 -20.641 -30.046 1.00 0.00 N ATOM 1008 CA ARG A 68 0.390 -19.523 -30.901 1.00 0.00 C ATOM 1009 C ARG A 68 0.804 -18.311 -30.046 1.00 0.00 C ATOM 1010 O ARG A 68 1.309 -17.327 -30.567 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.724 -19.127 -31.915 1.00 0.00 C ATOM 1012 CG ARG A 68 -2.103 -18.854 -31.280 1.00 0.00 C ATOM 1013 CD ARG A 68 -3.152 -18.357 -32.286 1.00 0.00 C ATOM 1014 NE ARG A 68 -2.866 -16.986 -32.740 1.00 0.00 N ATOM 1015 CZ ARG A 68 -3.619 -15.902 -32.477 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -4.759 -15.986 -31.791 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -3.224 -14.723 -32.904 1.00 0.00 N ATOM 0 H ARG A 68 -1.070 -20.628 -29.865 1.00 0.00 H new ATOM 0 HA ARG A 68 1.265 -19.854 -31.460 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.405 -18.236 -32.456 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.829 -19.925 -32.650 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.466 -19.768 -30.811 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.990 -18.113 -30.489 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.178 -19.027 -33.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.140 -18.389 -31.827 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.026 -16.846 -33.301 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.083 -16.891 -31.449 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.307 -15.146 -31.608 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.354 -14.636 -33.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.788 -13.895 -32.710 1.00 0.00 H new ATOM 1031 N PHE A 69 0.535 -18.363 -28.732 1.00 0.00 N ATOM 1032 CA PHE A 69 1.038 -17.364 -27.765 1.00 0.00 C ATOM 1033 C PHE A 69 2.075 -18.026 -26.849 1.00 0.00 C ATOM 1034 O PHE A 69 2.037 -19.238 -26.622 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.130 -16.734 -26.943 1.00 0.00 C ATOM 1036 CG PHE A 69 -0.929 -15.639 -27.665 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.214 -15.707 -29.029 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.406 -14.531 -26.962 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -1.941 -14.716 -29.659 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -2.133 -13.544 -27.597 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.402 -13.635 -28.944 1.00 0.00 C ATOM 0 H PHE A 69 -0.035 -19.094 -28.307 1.00 0.00 H new ATOM 0 HA PHE A 69 1.516 -16.549 -28.309 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.817 -17.529 -26.652 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.280 -16.315 -26.024 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.860 -16.550 -29.603 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.203 -14.445 -25.905 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.148 -14.790 -30.716 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.493 -12.696 -27.034 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.972 -12.862 -29.437 1.00 0.00 H new ATOM 1051 N THR A 70 3.006 -17.212 -26.353 1.00 0.00 N ATOM 1052 CA THR A 70 4.095 -17.646 -25.479 1.00 0.00 C ATOM 1053 C THR A 70 4.301 -16.585 -24.395 1.00 0.00 C ATOM 1054 O THR A 70 4.578 -15.424 -24.713 1.00 0.00 O ATOM 1055 CB THR A 70 5.421 -17.842 -26.301 1.00 0.00 C ATOM 1056 OG1 THR A 70 5.223 -18.824 -27.334 1.00 0.00 O ATOM 1057 CG2 THR A 70 6.605 -18.277 -25.419 1.00 0.00 C ATOM 0 H THR A 70 3.025 -16.212 -26.552 1.00 0.00 H new ATOM 0 HA THR A 70 3.837 -18.602 -25.023 1.00 0.00 H new ATOM 0 HB THR A 70 5.665 -16.873 -26.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.054 -18.937 -27.841 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.494 -18.398 -26.037 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.791 -17.518 -24.660 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.369 -19.224 -24.934 1.00 0.00 H new ATOM 1065 N ILE A 71 4.131 -16.976 -23.119 1.00 0.00 N ATOM 1066 CA ILE A 71 4.361 -16.075 -21.980 1.00 0.00 C ATOM 1067 C ILE A 71 5.700 -16.460 -21.359 1.00 0.00 C ATOM 1068 O ILE A 71 5.934 -17.630 -21.036 1.00 0.00 O ATOM 1069 CB ILE A 71 3.248 -16.098 -20.850 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.792 -16.175 -21.425 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.404 -14.840 -19.942 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.372 -17.544 -21.927 1.00 0.00 C ATOM 0 H ILE A 71 3.834 -17.915 -22.852 1.00 0.00 H new ATOM 0 HA ILE A 71 4.338 -15.060 -22.378 1.00 0.00 H new ATOM 0 HB ILE A 71 3.398 -17.006 -20.266 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.094 -15.859 -20.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.703 -15.461 -22.244 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.640 -14.855 -19.165 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.391 -14.845 -19.480 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.291 -13.939 -20.545 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.351 -17.495 -22.305 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.041 -17.859 -22.728 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.423 -18.263 -21.109 1.00 0.00 H new ATOM 1084 N SER A 72 6.564 -15.471 -21.200 1.00 0.00 N ATOM 1085 CA SER A 72 7.917 -15.636 -20.674 1.00 0.00 C ATOM 1086 C SER A 72 8.161 -14.542 -19.628 1.00 0.00 C ATOM 1087 O SER A 72 7.459 -13.529 -19.628 1.00 0.00 O ATOM 1088 CB SER A 72 8.934 -15.537 -21.840 1.00 0.00 C ATOM 1089 OG SER A 72 8.662 -16.496 -22.856 1.00 0.00 O ATOM 0 H SER A 72 6.342 -14.504 -21.438 1.00 0.00 H new ATOM 0 HA SER A 72 8.039 -16.611 -20.203 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.902 -14.535 -22.267 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.943 -15.688 -21.457 1.00 0.00 H new ATOM 0 HG SER A 72 9.320 -16.405 -23.576 1.00 0.00 H new ATOM 1095 N ARG A 73 9.117 -14.764 -18.716 1.00 0.00 N ATOM 1096 CA ARG A 73 9.525 -13.750 -17.731 1.00 0.00 C ATOM 1097 C ARG A 73 10.911 -14.081 -17.169 1.00 0.00 C ATOM 1098 O ARG A 73 11.330 -15.239 -17.149 1.00 0.00 O ATOM 1099 CB ARG A 73 8.471 -13.556 -16.584 1.00 0.00 C ATOM 1100 CG ARG A 73 8.338 -14.666 -15.503 1.00 0.00 C ATOM 1101 CD ARG A 73 7.785 -16.028 -15.995 1.00 0.00 C ATOM 1102 NE ARG A 73 8.817 -16.881 -16.631 1.00 0.00 N ATOM 1103 CZ ARG A 73 9.792 -17.539 -15.967 1.00 0.00 C ATOM 1104 NH1 ARG A 73 9.951 -17.403 -14.653 1.00 0.00 N ATOM 1105 NH2 ARG A 73 10.640 -18.300 -16.628 1.00 0.00 N ATOM 0 H ARG A 73 9.627 -15.644 -18.639 1.00 0.00 H new ATOM 0 HA ARG A 73 9.579 -12.795 -18.254 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.705 -12.622 -16.073 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.494 -13.428 -17.050 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.319 -14.833 -15.059 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.688 -14.297 -14.709 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.350 -16.563 -15.151 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.980 -15.850 -16.708 1.00 0.00 H new ATOM 0 HE ARG A 73 8.789 -16.978 -17.646 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.329 -16.791 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.695 -17.911 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.560 -18.392 -17.641 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.376 -18.797 -16.127 1.00 0.00 H new ATOM 1119 N ASP A 74 11.637 -13.037 -16.781 1.00 0.00 N ATOM 1120 CA ASP A 74 12.914 -13.144 -16.084 1.00 0.00 C ATOM 1121 C ASP A 74 12.759 -12.446 -14.736 1.00 0.00 C ATOM 1122 O ASP A 74 12.571 -11.226 -14.691 1.00 0.00 O ATOM 1123 CB ASP A 74 14.045 -12.496 -16.914 1.00 0.00 C ATOM 1124 CG ASP A 74 14.331 -13.216 -18.242 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.060 -14.232 -18.235 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.835 -12.773 -19.302 1.00 0.00 O ATOM 0 H ASP A 74 11.348 -12.073 -16.946 1.00 0.00 H new ATOM 0 HA ASP A 74 13.184 -14.190 -15.939 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.781 -11.459 -17.123 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.957 -12.479 -16.317 1.00 0.00 H new ATOM 1131 N ASN A 75 12.797 -13.225 -13.651 1.00 0.00 N ATOM 1132 CA ASN A 75 12.599 -12.710 -12.283 1.00 0.00 C ATOM 1133 C ASN A 75 13.817 -11.864 -11.832 1.00 0.00 C ATOM 1134 O ASN A 75 13.678 -10.958 -11.005 1.00 0.00 O ATOM 1135 CB ASN A 75 12.351 -13.891 -11.301 1.00 0.00 C ATOM 1136 CG ASN A 75 11.143 -14.776 -11.674 1.00 0.00 C ATOM 1137 OD1 ASN A 75 10.170 -14.313 -12.270 1.00 0.00 O ATOM 1138 ND2 ASN A 75 11.201 -16.060 -11.326 1.00 0.00 N ATOM 0 H ASN A 75 12.965 -14.230 -13.691 1.00 0.00 H new ATOM 0 HA ASN A 75 11.723 -12.062 -12.277 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.246 -14.513 -11.264 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.199 -13.491 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.428 -16.685 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.019 -16.418 -10.833 1.00 0.00 H new ATOM 1145 N ALA A 76 15.003 -12.169 -12.407 1.00 0.00 N ATOM 1146 CA ALA A 76 16.251 -11.420 -12.150 1.00 0.00 C ATOM 1147 C ALA A 76 16.250 -10.068 -12.898 1.00 0.00 C ATOM 1148 O ALA A 76 16.757 -9.063 -12.388 1.00 0.00 O ATOM 1149 CB ALA A 76 17.467 -12.269 -12.548 1.00 0.00 C ATOM 0 H ALA A 76 15.120 -12.942 -13.062 1.00 0.00 H new ATOM 0 HA ALA A 76 16.313 -11.205 -11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.381 -11.708 -12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.475 -13.189 -11.964 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.409 -12.513 -13.609 1.00 0.00 H new ATOM 1155 N LYS A 77 15.676 -10.056 -14.115 1.00 0.00 N ATOM 1156 CA LYS A 77 15.476 -8.812 -14.890 1.00 0.00 C ATOM 1157 C LYS A 77 14.273 -8.018 -14.352 1.00 0.00 C ATOM 1158 O LYS A 77 14.215 -6.793 -14.522 1.00 0.00 O ATOM 1159 CB LYS A 77 15.249 -9.121 -16.392 1.00 0.00 C ATOM 1160 CG LYS A 77 16.474 -9.681 -17.146 1.00 0.00 C ATOM 1161 CD LYS A 77 17.620 -8.653 -17.293 1.00 0.00 C ATOM 1162 CE LYS A 77 18.740 -9.145 -18.228 1.00 0.00 C ATOM 1163 NZ LYS A 77 19.770 -8.101 -18.459 1.00 0.00 N ATOM 0 H LYS A 77 15.341 -10.896 -14.587 1.00 0.00 H new ATOM 0 HA LYS A 77 16.381 -8.214 -14.781 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.432 -9.837 -16.479 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.925 -8.206 -16.889 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.847 -10.559 -16.619 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.163 -10.013 -18.137 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.216 -7.716 -17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.040 -8.439 -16.310 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.210 -10.029 -17.797 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.309 -9.447 -19.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.505 -8.473 -19.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.327 -7.267 -18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 20.200 -7.831 -17.551 1.00 0.00 H new ATOM 1177 N ASN A 78 13.334 -8.742 -13.705 1.00 0.00 N ATOM 1178 CA ASN A 78 12.030 -8.210 -13.261 1.00 0.00 C ATOM 1179 C ASN A 78 11.225 -7.703 -14.475 1.00 0.00 C ATOM 1180 O ASN A 78 10.655 -6.608 -14.452 1.00 0.00 O ATOM 1181 CB ASN A 78 12.203 -7.111 -12.169 1.00 0.00 C ATOM 1182 CG ASN A 78 12.839 -7.645 -10.878 1.00 0.00 C ATOM 1183 OD1 ASN A 78 12.142 -8.000 -9.929 1.00 0.00 O ATOM 1184 ND2 ASN A 78 14.163 -7.733 -10.846 1.00 0.00 N ATOM 0 H ASN A 78 13.464 -9.727 -13.474 1.00 0.00 H new ATOM 0 HA ASN A 78 11.464 -9.017 -12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.821 -6.306 -12.566 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.229 -6.680 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.630 -8.103 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.714 -7.430 -11.649 1.00 0.00 H new ATOM 1191 N THR A 79 11.211 -8.512 -15.554 1.00 0.00 N ATOM 1192 CA THR A 79 10.547 -8.152 -16.822 1.00 0.00 C ATOM 1193 C THR A 79 9.804 -9.368 -17.418 1.00 0.00 C ATOM 1194 O THR A 79 10.373 -10.453 -17.531 1.00 0.00 O ATOM 1195 CB THR A 79 11.592 -7.616 -17.864 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.435 -6.621 -17.259 1.00 0.00 O ATOM 1197 CG2 THR A 79 10.915 -7.006 -19.104 1.00 0.00 C ATOM 0 H THR A 79 11.658 -9.429 -15.571 1.00 0.00 H new ATOM 0 HA THR A 79 9.824 -7.366 -16.605 1.00 0.00 H new ATOM 0 HB THR A 79 12.187 -8.472 -18.183 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.083 -6.296 -17.919 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.678 -6.649 -19.796 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.305 -7.764 -19.595 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.282 -6.172 -18.800 1.00 0.00 H new ATOM 1205 N VAL A 80 8.537 -9.155 -17.802 1.00 0.00 N ATOM 1206 CA VAL A 80 7.688 -10.151 -18.476 1.00 0.00 C ATOM 1207 C VAL A 80 7.632 -9.845 -19.989 1.00 0.00 C ATOM 1208 O VAL A 80 7.602 -8.685 -20.385 1.00 0.00 O ATOM 1209 CB VAL A 80 6.234 -10.147 -17.863 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.335 -11.245 -18.493 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.287 -10.284 -16.316 1.00 0.00 C ATOM 0 H VAL A 80 8.062 -8.265 -17.650 1.00 0.00 H new ATOM 0 HA VAL A 80 8.118 -11.141 -18.326 1.00 0.00 H new ATOM 0 HB VAL A 80 5.780 -9.186 -18.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.343 -11.206 -18.042 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.252 -11.076 -19.567 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.777 -12.225 -18.313 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.273 -10.279 -15.915 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.777 -11.220 -16.050 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.847 -9.449 -15.896 1.00 0.00 H new ATOM 1221 N TYR A 81 7.640 -10.898 -20.819 1.00 0.00 N ATOM 1222 CA TYR A 81 7.559 -10.796 -22.286 1.00 0.00 C ATOM 1223 C TYR A 81 6.384 -11.650 -22.784 1.00 0.00 C ATOM 1224 O TYR A 81 6.312 -12.838 -22.457 1.00 0.00 O ATOM 1225 CB TYR A 81 8.879 -11.289 -22.936 1.00 0.00 C ATOM 1226 CG TYR A 81 10.130 -10.548 -22.445 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.423 -9.260 -22.894 1.00 0.00 C ATOM 1228 CD2 TYR A 81 11.013 -11.136 -21.534 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.551 -8.589 -22.456 1.00 0.00 C ATOM 1230 CE2 TYR A 81 12.138 -10.464 -21.094 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.403 -9.194 -21.558 1.00 0.00 C ATOM 1232 OH TYR A 81 13.529 -8.528 -21.127 1.00 0.00 O ATOM 0 H TYR A 81 7.704 -11.860 -20.486 1.00 0.00 H new ATOM 0 HA TYR A 81 7.404 -9.754 -22.565 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.997 -12.354 -22.733 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.804 -11.177 -24.018 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.758 -8.778 -23.596 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.813 -12.132 -21.168 1.00 0.00 H new ATOM 0 HE1 TYR A 81 11.763 -7.594 -22.817 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.808 -10.933 -20.388 1.00 0.00 H new ATOM 0 HH TYR A 81 14.022 -9.093 -20.496 1.00 0.00 H new ATOM 1242 N LEU A 82 5.470 -11.054 -23.564 1.00 0.00 N ATOM 1243 CA LEU A 82 4.312 -11.774 -24.134 1.00 0.00 C ATOM 1244 C LEU A 82 4.480 -11.829 -25.655 1.00 0.00 C ATOM 1245 O LEU A 82 4.191 -10.864 -26.353 1.00 0.00 O ATOM 1246 CB LEU A 82 2.992 -11.065 -23.697 1.00 0.00 C ATOM 1247 CG LEU A 82 1.614 -11.779 -23.968 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.076 -11.521 -25.381 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.688 -13.285 -23.670 1.00 0.00 C ATOM 0 H LEU A 82 5.508 -10.067 -23.818 1.00 0.00 H new ATOM 0 HA LEU A 82 4.258 -12.798 -23.764 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.059 -10.876 -22.626 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.962 -10.094 -24.191 1.00 0.00 H new ATOM 0 HG LEU A 82 0.901 -11.332 -23.276 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.125 -12.038 -25.508 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.929 -10.451 -25.524 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.791 -11.891 -26.116 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.719 -13.743 -23.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.444 -13.745 -24.306 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.953 -13.436 -22.624 1.00 0.00 H new ATOM 1261 N GLN A 83 4.984 -12.959 -26.151 1.00 0.00 N ATOM 1262 CA GLN A 83 5.246 -13.165 -27.579 1.00 0.00 C ATOM 1263 C GLN A 83 4.001 -13.740 -28.269 1.00 0.00 C ATOM 1264 O GLN A 83 3.650 -14.910 -28.069 1.00 0.00 O ATOM 1265 CB GLN A 83 6.479 -14.089 -27.766 1.00 0.00 C ATOM 1266 CG GLN A 83 6.887 -14.326 -29.233 1.00 0.00 C ATOM 1267 CD GLN A 83 8.213 -15.074 -29.372 1.00 0.00 C ATOM 1268 OE1 GLN A 83 9.278 -14.463 -29.442 1.00 0.00 O ATOM 1269 NE2 GLN A 83 8.163 -16.397 -29.393 1.00 0.00 N ATOM 0 H GLN A 83 5.224 -13.763 -25.571 1.00 0.00 H new ATOM 0 HA GLN A 83 5.472 -12.206 -28.046 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.325 -13.656 -27.233 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.269 -15.052 -27.301 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.103 -14.892 -29.735 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.963 -13.366 -29.743 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.264 -16.874 -29.333 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.024 -16.939 -29.469 1.00 0.00 H new ATOM 1278 N MET A 84 3.321 -12.892 -29.057 1.00 0.00 N ATOM 1279 CA MET A 84 2.173 -13.301 -29.886 1.00 0.00 C ATOM 1280 C MET A 84 2.678 -13.784 -31.245 1.00 0.00 C ATOM 1281 O MET A 84 3.595 -13.184 -31.816 1.00 0.00 O ATOM 1282 CB MET A 84 1.188 -12.126 -30.107 1.00 0.00 C ATOM 1283 CG MET A 84 0.619 -11.504 -28.835 1.00 0.00 C ATOM 1284 SD MET A 84 -0.724 -10.341 -29.165 1.00 0.00 S ATOM 1285 CE MET A 84 0.062 -9.157 -30.257 1.00 0.00 C ATOM 0 H MET A 84 3.551 -11.902 -29.138 1.00 0.00 H new ATOM 0 HA MET A 84 1.647 -14.101 -29.364 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.698 -11.348 -30.675 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.360 -12.479 -30.721 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.255 -12.296 -28.180 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.417 -10.989 -28.300 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.064 -8.152 -29.855 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.125 -9.386 -30.337 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.396 -9.213 -31.244 1.00 0.00 H new ATOM 1295 N ASN A 85 2.075 -14.865 -31.753 1.00 0.00 N ATOM 1296 CA ASN A 85 2.431 -15.458 -33.058 1.00 0.00 C ATOM 1297 C ASN A 85 1.140 -15.757 -33.841 1.00 0.00 C ATOM 1298 O ASN A 85 0.105 -16.069 -33.233 1.00 0.00 O ATOM 1299 CB ASN A 85 3.248 -16.774 -32.875 1.00 0.00 C ATOM 1300 CG ASN A 85 4.463 -16.625 -31.953 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.572 -16.361 -32.404 1.00 0.00 O ATOM 1302 ND2 ASN A 85 4.258 -16.779 -30.647 1.00 0.00 N ATOM 0 H ASN A 85 1.323 -15.359 -31.273 1.00 0.00 H new ATOM 0 HA ASN A 85 3.051 -14.749 -33.607 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.591 -17.545 -32.473 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.585 -17.120 -33.852 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.034 -16.678 -29.993 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.324 -16.998 -30.300 1.00 0.00 H new ATOM 1309 N SER A 86 1.215 -15.628 -35.181 1.00 0.00 N ATOM 1310 CA SER A 86 0.141 -16.026 -36.115 1.00 0.00 C ATOM 1311 C SER A 86 -1.162 -15.254 -35.825 1.00 0.00 C ATOM 1312 O SER A 86 -2.199 -15.837 -35.485 1.00 0.00 O ATOM 1313 CB SER A 86 -0.052 -17.566 -36.074 1.00 0.00 C ATOM 1314 OG SER A 86 1.168 -18.240 -36.359 1.00 0.00 O ATOM 0 H SER A 86 2.033 -15.240 -35.651 1.00 0.00 H new ATOM 0 HA SER A 86 0.432 -15.760 -37.131 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.416 -17.865 -35.091 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.812 -17.860 -36.798 1.00 0.00 H new ATOM 0 HG SER A 86 1.022 -19.209 -36.326 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.063 -13.922 -35.937 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.143 -12.995 -35.564 1.00 0.00 C ATOM 1322 C LEU A 87 -3.203 -12.891 -36.672 1.00 0.00 C ATOM 1323 O LEU A 87 -2.872 -12.656 -37.834 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.545 -11.608 -35.225 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.666 -11.565 -33.934 1.00 0.00 C ATOM 1326 CD1 LEU A 87 0.036 -10.210 -33.778 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.506 -11.908 -32.681 1.00 0.00 C ATOM 0 H LEU A 87 -0.228 -13.454 -36.290 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.647 -13.385 -34.680 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.941 -11.273 -36.069 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.361 -10.894 -35.114 1.00 0.00 H new ATOM 0 HG LEU A 87 0.110 -12.324 -34.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.639 -10.215 -32.870 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.679 -10.032 -34.640 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.711 -9.419 -33.713 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.871 -11.871 -31.796 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.316 -11.186 -32.577 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.924 -12.909 -32.786 1.00 0.00 H new ATOM 1339 N LYS A 88 -4.471 -13.090 -36.284 1.00 0.00 N ATOM 1340 CA LYS A 88 -5.640 -12.928 -37.163 1.00 0.00 C ATOM 1341 C LYS A 88 -6.154 -11.480 -36.994 1.00 0.00 C ATOM 1342 O LYS A 88 -5.927 -10.907 -35.937 1.00 0.00 O ATOM 1343 CB LYS A 88 -6.774 -13.934 -36.777 1.00 0.00 C ATOM 1344 CG LYS A 88 -6.399 -15.437 -36.754 1.00 0.00 C ATOM 1345 CD LYS A 88 -5.590 -15.854 -35.502 1.00 0.00 C ATOM 1346 CE LYS A 88 -5.348 -17.367 -35.430 1.00 0.00 C ATOM 1347 NZ LYS A 88 -4.630 -17.884 -36.627 1.00 0.00 N ATOM 0 H LYS A 88 -4.718 -13.373 -35.336 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.355 -13.127 -38.196 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.147 -13.662 -35.790 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.599 -13.801 -37.477 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.311 -16.031 -36.801 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.819 -15.672 -37.646 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.631 -15.337 -35.506 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.122 -15.532 -34.607 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.770 -17.598 -34.535 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.304 -17.881 -35.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.445 -18.901 -36.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.215 -17.735 -37.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.728 -17.378 -36.736 1.00 0.00 H new ATOM 1361 N PRO A 89 -6.848 -10.869 -38.013 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.421 -9.478 -37.923 1.00 0.00 C ATOM 1363 C PRO A 89 -8.225 -9.174 -36.617 1.00 0.00 C ATOM 1364 O PRO A 89 -8.321 -8.016 -36.187 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.343 -9.415 -39.165 1.00 0.00 C ATOM 1366 CG PRO A 89 -7.684 -10.323 -40.161 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.092 -11.463 -39.358 1.00 0.00 C ATOM 0 HA PRO A 89 -6.628 -8.731 -37.894 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.353 -9.750 -38.928 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.426 -8.398 -39.548 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.406 -10.692 -40.890 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.910 -9.795 -40.718 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.777 -12.309 -39.302 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.168 -11.829 -39.806 1.00 0.00 H new ATOM 1375 N GLU A 90 -8.771 -10.237 -36.005 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.598 -10.172 -34.774 1.00 0.00 C ATOM 1377 C GLU A 90 -8.778 -9.830 -33.494 1.00 0.00 C ATOM 1378 O GLU A 90 -9.340 -9.332 -32.511 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.312 -11.536 -34.593 1.00 0.00 C ATOM 1380 CG GLU A 90 -9.346 -12.722 -34.359 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.029 -14.096 -34.380 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.106 -14.717 -35.466 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -10.496 -14.568 -33.317 1.00 0.00 O ATOM 0 H GLU A 90 -8.652 -11.188 -36.354 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.315 -9.361 -34.900 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.998 -11.467 -33.749 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.915 -11.740 -35.478 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.570 -12.702 -35.124 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.850 -12.589 -33.398 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.455 -10.106 -33.519 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.553 -9.953 -32.340 1.00 0.00 C ATOM 1392 C ASP A 91 -6.195 -8.472 -32.031 1.00 0.00 C ATOM 1393 O ASP A 91 -5.416 -8.213 -31.100 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.246 -10.776 -32.546 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.461 -12.303 -32.524 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -5.827 -12.889 -33.564 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -5.239 -12.941 -31.468 1.00 0.00 O ATOM 0 H ASP A 91 -6.976 -10.442 -34.354 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.105 -10.335 -31.481 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.798 -10.495 -33.499 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.532 -10.508 -31.767 1.00 0.00 H new ATOM 1402 N THR A 92 -6.739 -7.520 -32.820 1.00 0.00 N ATOM 1403 CA THR A 92 -6.568 -6.070 -32.579 1.00 0.00 C ATOM 1404 C THR A 92 -7.202 -5.671 -31.222 1.00 0.00 C ATOM 1405 O THR A 92 -8.434 -5.569 -31.113 1.00 0.00 O ATOM 1406 CB THR A 92 -7.207 -5.228 -33.740 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.654 -5.634 -35.003 1.00 0.00 O ATOM 1408 CG2 THR A 92 -6.986 -3.714 -33.552 1.00 0.00 C ATOM 0 H THR A 92 -7.307 -7.734 -33.640 1.00 0.00 H new ATOM 0 HA THR A 92 -5.500 -5.856 -32.548 1.00 0.00 H new ATOM 0 HB THR A 92 -8.281 -5.416 -33.720 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.168 -6.389 -35.358 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.446 -3.174 -34.380 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.439 -3.394 -32.614 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.917 -3.502 -33.530 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.348 -5.466 -30.196 1.00 0.00 N ATOM 1417 CA ALA A 93 -6.794 -5.209 -28.809 1.00 0.00 C ATOM 1418 C ALA A 93 -5.626 -4.762 -27.917 1.00 0.00 C ATOM 1419 O ALA A 93 -4.469 -5.055 -28.208 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.481 -6.460 -28.221 1.00 0.00 C ATOM 0 H ALA A 93 -5.334 -5.474 -30.305 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.518 -4.395 -28.837 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.802 -6.253 -27.200 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.348 -6.719 -28.829 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.778 -7.293 -28.218 1.00 0.00 H new ATOM 1426 N VAL A 94 -5.946 -4.022 -26.836 1.00 0.00 N ATOM 1427 CA VAL A 94 -4.963 -3.649 -25.815 1.00 0.00 C ATOM 1428 C VAL A 94 -4.720 -4.842 -24.871 1.00 0.00 C ATOM 1429 O VAL A 94 -5.632 -5.284 -24.163 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.376 -2.332 -25.016 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -6.694 -2.463 -24.220 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.240 -1.873 -24.090 1.00 0.00 C ATOM 0 H VAL A 94 -6.886 -3.672 -26.653 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.029 -3.403 -26.320 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.556 -1.575 -25.779 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.903 -1.525 -23.706 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.511 -2.692 -24.904 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.599 -3.265 -23.488 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.547 -0.973 -23.557 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.015 -2.662 -23.372 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.351 -1.658 -24.683 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.502 -5.405 -24.935 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.080 -6.502 -24.059 1.00 0.00 C ATOM 1444 C TYR A 95 -2.497 -5.911 -22.776 1.00 0.00 C ATOM 1445 O TYR A 95 -1.454 -5.250 -22.791 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.050 -7.414 -24.783 1.00 0.00 C ATOM 1447 CG TYR A 95 -2.677 -8.312 -25.863 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -2.862 -9.681 -25.648 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.103 -7.792 -27.086 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.440 -10.485 -26.612 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.682 -8.598 -28.051 1.00 0.00 C ATOM 1452 CZ TYR A 95 -3.846 -9.940 -27.811 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.425 -10.744 -28.775 1.00 0.00 O ATOM 0 H TYR A 95 -2.784 -5.110 -25.597 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.938 -7.124 -23.805 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.283 -6.790 -25.241 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.551 -8.042 -24.045 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.548 -10.118 -24.712 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.978 -6.738 -27.284 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.574 -11.540 -26.426 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.004 -8.173 -28.990 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.654 -10.202 -29.559 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.206 -6.154 -21.673 1.00 0.00 N ATOM 1464 CA ASN A 96 -2.872 -5.633 -20.350 1.00 0.00 C ATOM 1465 C ASN A 96 -2.230 -6.749 -19.533 1.00 0.00 C ATOM 1466 O ASN A 96 -2.775 -7.854 -19.444 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.165 -5.122 -19.652 1.00 0.00 C ATOM 1468 CG ASN A 96 -3.955 -4.534 -18.245 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -4.763 -4.755 -17.349 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -2.900 -3.754 -18.048 1.00 0.00 N ATOM 0 H ASN A 96 -4.047 -6.731 -21.676 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.173 -4.801 -20.436 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.624 -4.361 -20.283 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.873 -5.948 -19.582 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.747 -3.323 -17.136 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.242 -3.585 -18.809 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.070 -6.444 -18.956 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.373 -7.329 -18.027 1.00 0.00 C ATOM 1479 C CYS A 97 -0.987 -7.120 -16.649 1.00 0.00 C ATOM 1480 O CYS A 97 -1.143 -5.979 -16.200 1.00 0.00 O ATOM 1481 CB CYS A 97 1.138 -6.998 -17.981 1.00 0.00 C ATOM 1482 SG CYS A 97 2.109 -8.063 -16.892 1.00 0.00 S ATOM 0 H CYS A 97 -0.582 -5.564 -19.123 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.477 -8.365 -18.350 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.543 -7.068 -18.991 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.260 -5.964 -17.659 1.00 0.00 H new ATOM 0 HG CYS A 97 3.300 -8.221 -17.389 1.00 0.00 H new ATOM 1488 N ALA A 98 -1.359 -8.223 -16.012 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.026 -8.237 -14.710 1.00 0.00 C ATOM 1490 C ALA A 98 -1.432 -9.362 -13.855 1.00 0.00 C ATOM 1491 O ALA A 98 -0.723 -10.223 -14.372 1.00 0.00 O ATOM 1492 CB ALA A 98 -3.547 -8.404 -14.903 1.00 0.00 C ATOM 0 H ALA A 98 -1.203 -9.156 -16.393 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.864 -7.292 -14.191 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.038 -8.414 -13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.932 -7.574 -15.496 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.747 -9.342 -15.420 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.674 -9.307 -12.543 1.00 0.00 N ATOM 1499 CA ALA A 99 -1.294 -10.370 -11.594 1.00 0.00 C ATOM 1500 C ALA A 99 -2.438 -10.575 -10.601 1.00 0.00 C ATOM 1501 O ALA A 99 -2.987 -9.604 -10.088 1.00 0.00 O ATOM 1502 CB ALA A 99 0.022 -10.024 -10.880 1.00 0.00 C ATOM 0 H ALA A 99 -2.144 -8.518 -12.100 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.122 -11.301 -12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.280 -10.824 -10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.817 -9.912 -11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.097 -9.090 -10.330 1.00 0.00 H new ATOM 1508 N GLY A 100 -2.802 -11.835 -10.355 1.00 0.00 N ATOM 1509 CA GLY A 100 -3.941 -12.155 -9.503 1.00 0.00 C ATOM 1510 C GLY A 100 -4.087 -13.645 -9.318 1.00 0.00 C ATOM 1511 O GLY A 100 -4.852 -14.303 -10.036 1.00 0.00 O ATOM 0 H GLY A 100 -2.321 -12.650 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.817 -11.676 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.852 -11.750 -9.944 1.00 0.00 H new ATOM 1664 N ASP A 111 -5.781 -8.683 -8.940 1.00 0.00 N ATOM 1665 CA ASP A 111 -5.625 -7.580 -7.962 1.00 0.00 C ATOM 1666 C ASP A 111 -4.675 -6.494 -8.507 1.00 0.00 C ATOM 1667 O ASP A 111 -4.850 -5.298 -8.255 1.00 0.00 O ATOM 1668 CB ASP A 111 -5.096 -8.138 -6.612 1.00 0.00 C ATOM 1669 CG ASP A 111 -5.002 -7.070 -5.499 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -3.902 -6.527 -5.262 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -6.033 -6.768 -4.856 1.00 0.00 O ATOM 0 HA ASP A 111 -6.600 -7.123 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.751 -8.942 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.110 -8.575 -6.770 1.00 0.00 H new ATOM 1676 N TYR A 112 -3.699 -6.935 -9.295 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.653 -6.076 -9.869 1.00 0.00 C ATOM 1678 C TYR A 112 -2.856 -5.982 -11.386 1.00 0.00 C ATOM 1679 O TYR A 112 -3.400 -6.912 -11.991 1.00 0.00 O ATOM 1680 CB TYR A 112 -1.252 -6.674 -9.577 1.00 0.00 C ATOM 1681 CG TYR A 112 -1.034 -7.088 -8.119 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.977 -8.432 -7.741 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -0.901 -6.134 -7.118 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -0.796 -8.798 -6.428 1.00 0.00 C ATOM 1685 CE2 TYR A 112 -0.715 -6.497 -5.804 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.666 -7.828 -5.466 1.00 0.00 C ATOM 1687 OH TYR A 112 -0.494 -8.189 -4.157 1.00 0.00 O ATOM 0 H TYR A 112 -3.606 -7.915 -9.561 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.718 -5.084 -9.421 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.101 -7.544 -10.216 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.493 -5.942 -9.852 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.077 -9.199 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.944 -5.086 -7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.756 -9.842 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.608 -5.739 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 112 0.016 -9.025 -4.112 1.00 0.00 H new ATOM 1697 N TRP A 113 -2.435 -4.852 -11.977 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.414 -4.647 -13.436 1.00 0.00 C ATOM 1699 C TRP A 113 -1.570 -3.415 -13.780 1.00 0.00 C ATOM 1700 O TRP A 113 -1.210 -2.624 -12.892 1.00 0.00 O ATOM 1701 CB TRP A 113 -3.852 -4.532 -14.030 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.691 -3.400 -13.473 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -4.689 -2.100 -13.892 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.661 -3.473 -12.413 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.578 -1.368 -13.160 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.186 -2.182 -12.245 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.130 -4.502 -11.588 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.154 -1.886 -11.290 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.092 -4.207 -10.639 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.596 -2.908 -10.496 1.00 0.00 C ATOM 0 H TRP A 113 -2.096 -4.047 -11.451 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.956 -5.524 -13.893 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.773 -4.407 -15.110 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.376 -5.472 -13.855 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.073 -1.708 -14.688 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.760 -0.371 -13.277 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.748 -5.507 -11.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.543 -0.884 -11.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.461 -4.993 -9.997 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.347 -2.710 -9.745 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.253 -3.267 -15.071 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.538 -2.097 -15.576 1.00 0.00 C ATOM 1723 C GLY A 114 -1.402 -1.247 -16.490 1.00 0.00 C ATOM 1724 O GLY A 114 -2.627 -1.187 -16.323 1.00 0.00 O ATOM 0 H GLY A 114 -1.485 -3.953 -15.789 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.196 -1.492 -14.736 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.350 -2.422 -16.118 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.756 -0.611 -17.478 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.407 0.325 -18.416 1.00 0.00 C ATOM 1730 C GLN A 115 -2.058 -0.448 -19.581 1.00 0.00 C ATOM 1731 O GLN A 115 -3.227 -0.221 -19.921 1.00 0.00 O ATOM 1732 CB GLN A 115 -0.373 1.358 -18.968 1.00 0.00 C ATOM 1733 CG GLN A 115 0.203 2.351 -17.928 1.00 0.00 C ATOM 1734 CD GLN A 115 1.121 1.724 -16.875 1.00 0.00 C ATOM 1735 OE1 GLN A 115 2.402 1.602 -17.186 1.00 0.00 O flip ATOM 1736 NE2 GLN A 115 0.671 1.325 -15.798 1.00 0.00 N flip ATOM 0 H GLN A 115 0.242 -0.731 -17.653 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.184 0.866 -17.876 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.455 0.811 -19.418 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.848 1.930 -19.765 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.758 3.126 -18.456 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.626 2.843 -17.419 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.321 1.434 -15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.291 0.886 -15.117 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.275 -1.363 -20.177 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.688 -2.130 -21.358 1.00 0.00 C ATOM 1747 C GLY A 116 -1.088 -1.564 -22.639 1.00 0.00 C ATOM 1748 O GLY A 116 -0.838 -0.357 -22.726 1.00 0.00 O ATOM 0 H GLY A 116 -0.336 -1.590 -19.850 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.382 -3.170 -21.242 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.775 -2.125 -21.433 1.00 0.00 H new ATOM 1752 N THR A 117 -0.883 -2.436 -23.644 1.00 0.00 N ATOM 1753 CA THR A 117 -0.285 -2.081 -24.944 1.00 0.00 C ATOM 1754 C THR A 117 -1.257 -2.448 -26.095 1.00 0.00 C ATOM 1755 O THR A 117 -1.554 -3.629 -26.324 1.00 0.00 O ATOM 1756 CB THR A 117 1.117 -2.783 -25.114 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.641 -2.556 -26.427 1.00 0.00 O ATOM 1758 CG2 THR A 117 1.077 -4.298 -24.815 1.00 0.00 C ATOM 0 H THR A 117 -1.132 -3.423 -23.574 1.00 0.00 H new ATOM 0 HA THR A 117 -0.118 -1.005 -24.981 1.00 0.00 H new ATOM 0 HB THR A 117 1.777 -2.330 -24.374 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.624 -3.394 -26.935 1.00 0.00 H new ATOM 0 HG21 THR A 117 2.072 -4.722 -24.950 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.751 -4.458 -23.787 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.380 -4.785 -25.497 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.806 -1.404 -26.770 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.749 -1.567 -27.897 1.00 0.00 C ATOM 1768 C GLN A 118 -2.006 -2.070 -29.138 1.00 0.00 C ATOM 1769 O GLN A 118 -1.155 -1.365 -29.690 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.495 -0.232 -28.209 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.423 -0.271 -29.457 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.596 -1.265 -29.358 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.142 -1.497 -28.281 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -5.974 -1.873 -30.482 1.00 0.00 N ATOM 0 H GLN A 118 -1.605 -0.430 -26.545 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.497 -2.306 -27.609 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.092 0.044 -27.340 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.755 0.555 -28.350 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.825 0.728 -29.625 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.823 -0.524 -30.331 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.502 -1.660 -31.361 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.735 -2.551 -30.464 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.331 -3.301 -29.552 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.791 -3.914 -30.769 1.00 0.00 C ATOM 1785 C VAL A 119 -2.853 -3.859 -31.883 1.00 0.00 C ATOM 1786 O VAL A 119 -4.066 -3.914 -31.609 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.324 -5.406 -30.524 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.455 -5.517 -29.240 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.512 -6.407 -30.495 1.00 0.00 C ATOM 0 H VAL A 119 -2.981 -3.903 -29.047 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.909 -3.349 -31.072 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.705 -5.687 -31.376 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.148 -6.553 -29.097 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.429 -4.888 -29.344 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.036 -5.188 -28.378 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.134 -7.415 -30.324 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.197 -6.135 -29.692 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.039 -6.374 -31.449 1.00 0.00 H new ATOM 1799 N THR A 120 -2.391 -3.712 -33.127 1.00 0.00 N ATOM 1800 CA THR A 120 -3.238 -3.743 -34.322 1.00 0.00 C ATOM 1801 C THR A 120 -2.705 -4.814 -35.285 1.00 0.00 C ATOM 1802 O THR A 120 -1.494 -5.042 -35.363 1.00 0.00 O ATOM 1803 CB THR A 120 -3.270 -2.330 -34.999 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.808 -1.377 -34.072 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.096 -2.304 -36.303 1.00 0.00 C ATOM 0 H THR A 120 -1.403 -3.566 -33.336 1.00 0.00 H new ATOM 0 HA THR A 120 -4.261 -3.998 -34.047 1.00 0.00 H new ATOM 0 HB THR A 120 -2.245 -2.076 -35.268 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.829 -0.491 -34.489 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.080 -1.299 -36.724 1.00 0.00 H new ATOM 0 HG22 THR A 120 -3.667 -3.004 -37.020 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.125 -2.591 -36.087 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.620 -5.512 -35.969 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.277 -6.531 -36.966 1.00 0.00 C ATOM 1815 C VAL A 121 -4.058 -6.270 -38.269 1.00 0.00 C ATOM 1816 O VAL A 121 -5.288 -6.145 -38.263 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.479 -7.983 -36.398 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -4.809 -8.111 -35.635 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.337 -9.064 -37.506 1.00 0.00 C ATOM 0 H VAL A 121 -4.624 -5.384 -35.845 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.216 -6.459 -37.205 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.679 -8.163 -35.680 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.915 -9.128 -35.257 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.818 -7.410 -34.800 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.637 -7.886 -36.307 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.484 -10.053 -37.071 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.086 -8.893 -38.279 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.341 -9.005 -37.946 1.00 0.00 H new ATOM 1829 N SER A 122 -3.302 -6.170 -39.376 1.00 0.00 N ATOM 1830 CA SER A 122 -3.799 -5.724 -40.685 1.00 0.00 C ATOM 1831 C SER A 122 -4.536 -6.856 -41.438 1.00 0.00 C ATOM 1832 O SER A 122 -3.957 -7.921 -41.683 1.00 0.00 O ATOM 1833 CB SER A 122 -2.599 -5.218 -41.517 1.00 0.00 C ATOM 1834 OG SER A 122 -1.780 -4.333 -40.758 1.00 0.00 O ATOM 0 H SER A 122 -2.309 -6.402 -39.384 1.00 0.00 H new ATOM 0 HA SER A 122 -4.522 -4.922 -40.533 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.005 -6.067 -41.856 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.962 -4.707 -42.409 1.00 0.00 H new ATOM 0 HG SER A 122 -1.484 -3.592 -41.327 1.00 0.00 H new ATOM 1840 N SER A 123 -5.809 -6.609 -41.795 1.00 0.00 N ATOM 1841 CA SER A 123 -6.624 -7.527 -42.615 1.00 0.00 C ATOM 1842 C SER A 123 -6.243 -7.410 -44.108 1.00 0.00 C ATOM 1843 O SER A 123 -5.949 -6.307 -44.580 1.00 0.00 O ATOM 1844 CB SER A 123 -8.121 -7.193 -42.420 1.00 0.00 C ATOM 1845 OG SER A 123 -8.389 -5.830 -42.721 1.00 0.00 O ATOM 0 H SER A 123 -6.306 -5.761 -41.521 1.00 0.00 H new ATOM 0 HA SER A 123 -6.434 -8.552 -42.296 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.726 -7.835 -43.061 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.412 -7.405 -41.391 1.00 0.00 H new ATOM 0 HG SER A 123 -9.343 -5.648 -42.591 1.00 0.00 H new