USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot -125:sc= -2.28 USER MOD Set 1.2: A 93 ASN : amide:sc= -5.97! C(o=-8.3!,f=-10!) USER MOD Single : A 14 GLN : amide:sc= -6.65! C(o=-6.7!,f=-9.9!) USER MOD Single : A 15 THR OG1 : rot 160:sc= -1.45! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -124:sc= -5.77! (180deg=-16.2!) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 1.55 (180deg=1.12) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 132:sc= 1.12 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.31) USER MOD Single : A 63 MET CE :methyl -165:sc= -9.66! (180deg=-10.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0989 K(o=-0.099,f=-0.6) USER MOD Single : A 72 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.068) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -31:sc= 0.384 USER MOD Single : A 88 MET CE :methyl -168:sc= -10.8! (180deg=-11.8!) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.9 USER MOD Single : A 99 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.032) USER MOD Single : A 103 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD Single : A 104 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.036) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 109 TYR OH : rot -55:sc= -0.0725 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -4.03! C(o=-5!,f=-4!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.639! C(o=-0.64!,f=-2.2!) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -1.1 K(o=-1.1,f=-8.4!) USER MOD Single : A 140 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.138) USER MOD Single : A 144 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 145 TYR OH : rot 27:sc= -0.634 USER MOD Single : A 147 ASN : amide:sc= 0.114 K(o=0.11,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.823 -2.864 -17.987 1.00 0.00 N ATOM 23 CA ILE A 10 -9.517 -2.386 -17.559 1.00 0.00 C ATOM 24 C ILE A 10 -9.573 -1.851 -16.132 1.00 0.00 C ATOM 25 O ILE A 10 -8.900 -2.364 -15.239 1.00 0.00 O ATOM 26 CB ILE A 10 -8.994 -1.274 -18.489 1.00 0.00 C ATOM 27 CG1 ILE A 10 -9.010 -1.739 -19.949 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.595 -0.855 -18.073 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.430 -3.121 -20.158 1.00 0.00 C ATOM 0 HA ILE A 10 -8.837 -3.237 -17.603 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.653 -0.410 -18.402 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.038 -1.728 -20.312 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.450 -1.025 -20.554 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.238 -0.069 -18.738 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.616 -0.482 -17.049 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.925 -1.713 -18.133 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.477 -3.379 -21.216 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.392 -3.134 -19.827 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.003 -3.847 -19.582 1.00 0.00 H new ATOM 41 N ARG A 11 -10.386 -0.818 -15.926 1.00 0.00 N ATOM 42 CA ARG A 11 -10.537 -0.213 -14.605 1.00 0.00 C ATOM 43 C ARG A 11 -10.821 -1.280 -13.553 1.00 0.00 C ATOM 44 O ARG A 11 -10.492 -1.116 -12.376 1.00 0.00 O ATOM 45 CB ARG A 11 -11.666 0.818 -14.619 1.00 0.00 C ATOM 46 CG ARG A 11 -11.697 1.701 -13.381 1.00 0.00 C ATOM 47 CD ARG A 11 -10.534 2.680 -13.365 1.00 0.00 C ATOM 48 NE ARG A 11 -10.986 4.069 -13.404 1.00 0.00 N ATOM 49 CZ ARG A 11 -10.178 5.105 -13.617 1.00 0.00 C ATOM 50 NH1 ARG A 11 -8.879 4.914 -13.811 1.00 0.00 N ATOM 51 NH2 ARG A 11 -10.670 6.335 -13.637 1.00 0.00 N ATOM 0 H ARG A 11 -10.950 -0.383 -16.656 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.603 0.287 -14.350 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.561 1.448 -15.502 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.620 0.299 -14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.637 2.251 -13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.662 1.078 -12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.937 2.518 -12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.885 2.486 -14.219 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.978 4.255 -13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.495 3.969 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.265 5.712 -13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.668 6.488 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.051 7.129 -13.800 1.00 0.00 H new ATOM 65 N GLU A 12 -11.427 -2.379 -13.989 1.00 0.00 N ATOM 66 CA GLU A 12 -11.750 -3.478 -13.091 1.00 0.00 C ATOM 67 C GLU A 12 -10.477 -4.117 -12.554 1.00 0.00 C ATOM 68 O GLU A 12 -10.320 -4.284 -11.345 1.00 0.00 O ATOM 69 CB GLU A 12 -12.601 -4.523 -13.815 1.00 0.00 C ATOM 70 CG GLU A 12 -14.066 -4.134 -13.937 1.00 0.00 C ATOM 71 CD GLU A 12 -14.775 -4.106 -12.597 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.510 -3.179 -11.804 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.596 -5.013 -12.341 1.00 0.00 O ATOM 0 H GLU A 12 -11.704 -2.531 -14.959 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.321 -3.082 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.192 -4.685 -14.812 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.528 -5.471 -13.283 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.140 -3.152 -14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.572 -4.839 -14.597 1.00 0.00 H new ATOM 80 N ARG A 13 -9.560 -4.460 -13.457 1.00 0.00 N ATOM 81 CA ARG A 13 -8.294 -5.068 -13.064 1.00 0.00 C ATOM 82 C ARG A 13 -7.592 -4.202 -12.027 1.00 0.00 C ATOM 83 O ARG A 13 -6.967 -4.706 -11.093 1.00 0.00 O ATOM 84 CB ARG A 13 -7.384 -5.256 -14.276 1.00 0.00 C ATOM 85 CG ARG A 13 -7.942 -6.216 -15.314 1.00 0.00 C ATOM 86 CD ARG A 13 -6.883 -6.617 -16.329 1.00 0.00 C ATOM 87 NE ARG A 13 -7.453 -7.365 -17.447 1.00 0.00 N ATOM 88 CZ ARG A 13 -6.839 -7.533 -18.616 1.00 0.00 C ATOM 89 NH1 ARG A 13 -5.638 -7.010 -18.823 1.00 0.00 N ATOM 90 NH2 ARG A 13 -7.429 -8.227 -19.579 1.00 0.00 N ATOM 0 H ARG A 13 -9.671 -4.327 -14.462 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.508 -6.045 -12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.213 -4.287 -14.745 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.415 -5.623 -13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.327 -7.107 -14.817 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.782 -5.749 -15.828 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.386 -5.724 -16.706 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.121 -7.223 -15.838 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.375 -7.783 -17.325 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.180 -6.476 -18.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.172 -7.142 -19.721 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.352 -8.632 -19.424 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.960 -8.356 -20.475 1.00 0.00 H new ATOM 104 N GLN A 14 -7.712 -2.889 -12.197 1.00 0.00 N ATOM 105 CA GLN A 14 -7.103 -1.940 -11.278 1.00 0.00 C ATOM 106 C GLN A 14 -7.526 -2.238 -9.847 1.00 0.00 C ATOM 107 O GLN A 14 -6.692 -2.332 -8.946 1.00 0.00 O ATOM 108 CB GLN A 14 -7.505 -0.514 -11.644 1.00 0.00 C ATOM 109 CG GLN A 14 -7.169 -0.133 -13.077 1.00 0.00 C ATOM 110 CD GLN A 14 -7.128 1.367 -13.276 1.00 0.00 C ATOM 111 OE1 GLN A 14 -7.773 1.905 -14.176 1.00 0.00 O ATOM 112 NE2 GLN A 14 -6.362 2.051 -12.436 1.00 0.00 N ATOM 0 H GLN A 14 -8.227 -2.459 -12.965 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.020 -2.037 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.577 -0.397 -11.488 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.007 0.180 -10.967 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.203 -0.560 -13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.909 -0.567 -13.749 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.845 1.563 -11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.290 3.065 -12.522 1.00 0.00 H new ATOM 121 N THR A 15 -8.831 -2.383 -9.645 1.00 0.00 N ATOM 122 CA THR A 15 -9.365 -2.667 -8.325 1.00 0.00 C ATOM 123 C THR A 15 -8.966 -4.060 -7.852 1.00 0.00 C ATOM 124 O THR A 15 -8.898 -4.313 -6.653 1.00 0.00 O ATOM 125 CB THR A 15 -10.885 -2.521 -8.312 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.369 -2.152 -9.592 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.361 -1.482 -7.323 1.00 0.00 C ATOM 0 H THR A 15 -9.535 -2.308 -10.379 1.00 0.00 H new ATOM 0 HA THR A 15 -8.937 -1.939 -7.635 1.00 0.00 H new ATOM 0 HB THR A 15 -11.273 -3.496 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.322 -2.371 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.449 -1.420 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.044 -1.763 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.934 -0.512 -7.580 1.00 0.00 H new ATOM 135 N VAL A 16 -8.687 -4.964 -8.789 1.00 0.00 N ATOM 136 CA VAL A 16 -8.281 -6.317 -8.422 1.00 0.00 C ATOM 137 C VAL A 16 -7.095 -6.257 -7.468 1.00 0.00 C ATOM 138 O VAL A 16 -7.135 -6.813 -6.369 1.00 0.00 O ATOM 139 CB VAL A 16 -7.905 -7.165 -9.654 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.498 -8.573 -9.239 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.060 -7.209 -10.639 1.00 0.00 C ATOM 0 H VAL A 16 -8.734 -4.788 -9.793 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.133 -6.794 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.051 -6.698 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.237 -9.152 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.637 -8.521 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.328 -9.054 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.779 -7.811 -11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.932 -7.651 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.299 -6.197 -10.965 1.00 0.00 H new ATOM 151 N ALA A 17 -6.049 -5.555 -7.888 1.00 0.00 N ATOM 152 CA ALA A 17 -4.864 -5.398 -7.059 1.00 0.00 C ATOM 153 C ALA A 17 -5.206 -4.620 -5.792 1.00 0.00 C ATOM 154 O ALA A 17 -4.616 -4.840 -4.735 1.00 0.00 O ATOM 155 CB ALA A 17 -3.762 -4.692 -7.836 1.00 0.00 C ATOM 0 H ALA A 17 -5.999 -5.088 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.505 -6.387 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.882 -4.582 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.503 -5.280 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.110 -3.707 -8.147 1.00 0.00 H new ATOM 161 N LEU A 18 -6.170 -3.707 -5.916 1.00 0.00 N ATOM 162 CA LEU A 18 -6.606 -2.882 -4.794 1.00 0.00 C ATOM 163 C LEU A 18 -7.376 -3.707 -3.760 1.00 0.00 C ATOM 164 O LEU A 18 -6.980 -3.796 -2.598 1.00 0.00 O ATOM 165 CB LEU A 18 -7.483 -1.734 -5.298 1.00 0.00 C ATOM 166 CG LEU A 18 -6.780 -0.750 -6.235 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.794 0.154 -6.919 1.00 0.00 C ATOM 168 CD2 LEU A 18 -5.754 0.076 -5.470 1.00 0.00 C ATOM 0 H LEU A 18 -6.665 -3.521 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.717 -2.477 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.344 -2.155 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.866 -1.184 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.257 -1.320 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.275 0.847 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.488 -0.453 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.346 0.716 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.264 0.770 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.254 0.636 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.009 -0.586 -5.030 1.00 0.00 H new ATOM 180 N LYS A 19 -8.483 -4.301 -4.193 1.00 0.00 N ATOM 181 CA LYS A 19 -9.323 -5.113 -3.315 1.00 0.00 C ATOM 182 C LYS A 19 -8.508 -6.163 -2.563 1.00 0.00 C ATOM 183 O LYS A 19 -8.923 -6.643 -1.511 1.00 0.00 O ATOM 184 CB LYS A 19 -10.428 -5.795 -4.126 1.00 0.00 C ATOM 185 CG LYS A 19 -11.545 -4.851 -4.544 1.00 0.00 C ATOM 186 CD LYS A 19 -12.621 -5.574 -5.340 1.00 0.00 C ATOM 187 CE LYS A 19 -12.564 -5.211 -6.815 1.00 0.00 C ATOM 188 NZ LYS A 19 -13.340 -6.166 -7.652 1.00 0.00 N ATOM 0 H LYS A 19 -8.822 -4.235 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.770 -4.446 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.989 -6.243 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.852 -6.608 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.990 -4.398 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.131 -4.040 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.498 -6.651 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.603 -5.321 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.955 -4.204 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.526 -5.199 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.276 -5.884 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.951 -7.124 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.336 -6.159 -7.354 1.00 0.00 H new ATOM 202 N ARG A 20 -7.351 -6.525 -3.104 1.00 0.00 N ATOM 203 CA ARG A 20 -6.500 -7.521 -2.465 1.00 0.00 C ATOM 204 C ARG A 20 -5.574 -6.878 -1.434 1.00 0.00 C ATOM 205 O ARG A 20 -5.153 -7.523 -0.475 1.00 0.00 O ATOM 206 CB ARG A 20 -5.672 -8.261 -3.517 1.00 0.00 C ATOM 207 CG ARG A 20 -6.510 -9.063 -4.499 1.00 0.00 C ATOM 208 CD ARG A 20 -5.723 -9.415 -5.751 1.00 0.00 C ATOM 209 NE ARG A 20 -5.722 -10.851 -6.012 1.00 0.00 N ATOM 210 CZ ARG A 20 -6.810 -11.545 -6.340 1.00 0.00 C ATOM 211 NH1 ARG A 20 -7.985 -10.939 -6.450 1.00 0.00 N ATOM 212 NH2 ARG A 20 -6.722 -12.851 -6.559 1.00 0.00 N ATOM 0 H ARG A 20 -6.983 -6.147 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.145 -8.231 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.073 -7.538 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.976 -8.932 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.858 -9.977 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.396 -8.490 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.150 -8.892 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.696 -9.066 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.837 -11.352 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.059 -9.935 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.815 -11.477 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.821 -13.322 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.555 -13.383 -6.810 1.00 0.00 H new ATOM 226 N MET A 21 -5.245 -5.610 -1.644 1.00 0.00 N ATOM 227 CA MET A 21 -4.351 -4.894 -0.740 1.00 0.00 C ATOM 228 C MET A 21 -5.098 -4.194 0.396 1.00 0.00 C ATOM 229 O MET A 21 -4.651 -4.220 1.542 1.00 0.00 O ATOM 230 CB MET A 21 -3.540 -3.862 -1.520 1.00 0.00 C ATOM 231 CG MET A 21 -4.407 -2.917 -2.325 1.00 0.00 C ATOM 232 SD MET A 21 -3.481 -1.553 -3.042 1.00 0.00 S ATOM 233 CE MET A 21 -3.437 -0.418 -1.657 1.00 0.00 C ATOM 0 H MET A 21 -5.583 -5.056 -2.431 1.00 0.00 H new ATOM 0 HA MET A 21 -3.692 -5.638 -0.292 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.931 -3.285 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.854 -4.378 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.899 -3.474 -3.122 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.193 -2.518 -1.684 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.857 0.541 -1.959 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.022 -0.827 -0.833 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.405 -0.277 -1.335 1.00 0.00 H new ATOM 487 N TRP A 38 -7.427 -4.834 11.389 1.00 0.00 N ATOM 488 CA TRP A 38 -7.339 -3.516 10.770 1.00 0.00 C ATOM 489 C TRP A 38 -6.174 -3.459 9.790 1.00 0.00 C ATOM 490 O TRP A 38 -5.094 -3.981 10.064 1.00 0.00 O ATOM 491 CB TRP A 38 -7.171 -2.437 11.841 1.00 0.00 C ATOM 492 CG TRP A 38 -8.464 -2.022 12.474 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.846 -2.232 13.768 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.545 -1.326 11.845 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.099 -1.713 13.981 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.550 -1.150 12.816 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.762 -0.833 10.555 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.752 -0.505 12.537 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.955 -0.192 10.280 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.937 -0.032 11.267 1.00 0.00 C ATOM 0 HA TRP A 38 -8.264 -3.333 10.223 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.498 -2.805 12.615 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.696 -1.563 11.395 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.249 -2.734 14.515 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.611 -1.742 14.863 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.011 -0.951 9.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.511 -0.383 13.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.134 0.193 9.287 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.858 0.475 11.020 1.00 0.00 H new ATOM 511 N LYS A 39 -6.397 -2.824 8.644 1.00 0.00 N ATOM 512 CA LYS A 39 -5.362 -2.703 7.625 1.00 0.00 C ATOM 513 C LYS A 39 -5.161 -1.246 7.216 1.00 0.00 C ATOM 514 O LYS A 39 -6.108 -0.561 6.832 1.00 0.00 O ATOM 515 CB LYS A 39 -5.722 -3.550 6.400 1.00 0.00 C ATOM 516 CG LYS A 39 -4.781 -4.724 6.177 1.00 0.00 C ATOM 517 CD LYS A 39 -4.944 -5.311 4.784 1.00 0.00 C ATOM 518 CE LYS A 39 -3.659 -5.965 4.302 1.00 0.00 C ATOM 519 NZ LYS A 39 -3.834 -6.624 2.978 1.00 0.00 N ATOM 0 H LYS A 39 -7.285 -2.386 8.398 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.427 -3.069 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.739 -3.926 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.714 -2.915 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.751 -4.398 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.976 -5.495 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.748 -6.047 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.237 -4.524 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.873 -5.213 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.330 -6.703 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.901 -6.833 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.365 -7.510 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.358 -5.990 2.341 1.00 0.00 H new ATOM 533 N VAL A 40 -3.920 -0.783 7.298 1.00 0.00 N ATOM 534 CA VAL A 40 -3.582 0.583 6.934 1.00 0.00 C ATOM 535 C VAL A 40 -3.249 0.667 5.446 1.00 0.00 C ATOM 536 O VAL A 40 -2.883 -0.334 4.832 1.00 0.00 O ATOM 537 CB VAL A 40 -2.386 1.087 7.781 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.360 1.818 6.929 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.870 1.973 8.917 1.00 0.00 C ATOM 0 H VAL A 40 -3.127 -1.340 7.616 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.443 1.220 7.136 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.894 0.212 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.537 2.156 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.977 1.144 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.829 2.679 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.015 2.317 9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.399 2.833 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.543 1.405 9.560 1.00 0.00 H new ATOM 549 N LEU A 41 -3.378 1.857 4.866 1.00 0.00 N ATOM 550 CA LEU A 41 -3.084 2.043 3.460 1.00 0.00 C ATOM 551 C LEU A 41 -2.413 3.398 3.232 1.00 0.00 C ATOM 552 O LEU A 41 -2.879 4.424 3.726 1.00 0.00 O ATOM 553 CB LEU A 41 -4.376 1.911 2.635 1.00 0.00 C ATOM 554 CG LEU A 41 -4.694 3.078 1.696 1.00 0.00 C ATOM 555 CD1 LEU A 41 -4.244 2.760 0.276 1.00 0.00 C ATOM 556 CD2 LEU A 41 -6.179 3.402 1.719 1.00 0.00 C ATOM 0 H LEU A 41 -3.684 2.701 5.351 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.389 1.270 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.313 0.999 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.212 1.786 3.323 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.147 3.953 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.478 3.601 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.169 2.582 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.763 1.869 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.380 4.234 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.747 2.529 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.476 3.676 2.731 1.00 0.00 H new ATOM 568 N ILE A 42 -1.328 3.392 2.469 1.00 0.00 N ATOM 569 CA ILE A 42 -0.605 4.617 2.156 1.00 0.00 C ATOM 570 C ILE A 42 -0.419 4.739 0.652 1.00 0.00 C ATOM 571 O ILE A 42 0.379 4.016 0.054 1.00 0.00 O ATOM 572 CB ILE A 42 0.776 4.674 2.860 1.00 0.00 C ATOM 573 CG1 ILE A 42 0.653 5.375 4.207 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.803 5.393 2.002 1.00 0.00 C ATOM 575 CD1 ILE A 42 -0.136 4.588 5.217 1.00 0.00 C ATOM 0 H ILE A 42 -0.929 2.550 2.055 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.200 5.452 2.526 1.00 0.00 H new ATOM 0 HB ILE A 42 1.113 3.649 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.651 5.564 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.179 6.346 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.760 5.416 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.918 4.866 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.468 6.413 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.185 5.144 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.145 4.421 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.350 3.628 5.390 1.00 0.00 H new ATOM 587 N TYR A 43 -1.162 5.649 0.041 1.00 0.00 N ATOM 588 CA TYR A 43 -1.069 5.842 -1.399 1.00 0.00 C ATOM 589 C TYR A 43 -0.378 7.156 -1.741 1.00 0.00 C ATOM 590 O TYR A 43 -0.052 7.953 -0.860 1.00 0.00 O ATOM 591 CB TYR A 43 -2.457 5.794 -2.042 1.00 0.00 C ATOM 592 CG TYR A 43 -3.538 6.472 -1.235 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.322 7.718 -0.671 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.775 5.871 -1.046 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.306 8.351 0.064 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.766 6.495 -0.312 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.526 7.736 0.241 1.00 0.00 C ATOM 598 OH TYR A 43 -6.510 8.362 0.971 1.00 0.00 O ATOM 0 H TYR A 43 -1.829 6.260 0.513 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.466 5.028 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.406 6.262 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.736 4.752 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.367 8.204 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.966 4.900 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.120 9.323 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.723 6.014 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.308 7.794 0.999 1.00 0.00 H new ATOM 608 N ASP A 44 -0.156 7.366 -3.033 1.00 0.00 N ATOM 609 CA ASP A 44 0.491 8.575 -3.519 1.00 0.00 C ATOM 610 C ASP A 44 -0.416 9.289 -4.515 1.00 0.00 C ATOM 611 O ASP A 44 -1.571 8.904 -4.693 1.00 0.00 O ATOM 612 CB ASP A 44 1.825 8.229 -4.183 1.00 0.00 C ATOM 613 CG ASP A 44 3.010 8.475 -3.268 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.861 9.246 -2.296 1.00 0.00 O ATOM 615 OD2 ASP A 44 4.087 7.897 -3.523 1.00 0.00 O ATOM 0 H ASP A 44 -0.418 6.708 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 44 0.679 9.236 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.815 7.182 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.941 8.823 -5.090 1.00 0.00 H new ATOM 620 N ARG A 45 0.111 10.321 -5.166 1.00 0.00 N ATOM 621 CA ARG A 45 -0.663 11.079 -6.151 1.00 0.00 C ATOM 622 C ARG A 45 -1.410 10.135 -7.091 1.00 0.00 C ATOM 623 O ARG A 45 -2.560 10.386 -7.453 1.00 0.00 O ATOM 624 CB ARG A 45 0.241 12.020 -6.960 1.00 0.00 C ATOM 625 CG ARG A 45 1.685 11.554 -7.077 1.00 0.00 C ATOM 626 CD ARG A 45 2.557 12.151 -5.981 1.00 0.00 C ATOM 627 NE ARG A 45 3.638 12.971 -6.524 1.00 0.00 N ATOM 628 CZ ARG A 45 3.518 14.266 -6.817 1.00 0.00 C ATOM 629 NH1 ARG A 45 2.364 14.895 -6.626 1.00 0.00 N ATOM 630 NH2 ARG A 45 4.555 14.932 -7.303 1.00 0.00 N ATOM 0 H ARG A 45 1.066 10.653 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.389 11.684 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.175 12.132 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.226 13.006 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.723 10.466 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.081 11.836 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.940 12.758 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.980 11.348 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 45 4.540 12.525 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.562 14.387 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.280 15.886 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.444 14.454 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.465 15.923 -7.528 1.00 0.00 H new ATOM 644 N PHE A 46 -0.757 9.040 -7.467 1.00 0.00 N ATOM 645 CA PHE A 46 -1.373 8.052 -8.345 1.00 0.00 C ATOM 646 C PHE A 46 -2.243 7.100 -7.532 1.00 0.00 C ATOM 647 O PHE A 46 -3.389 6.832 -7.892 1.00 0.00 O ATOM 648 CB PHE A 46 -0.306 7.267 -9.111 1.00 0.00 C ATOM 649 CG PHE A 46 -0.255 7.599 -10.577 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.390 8.744 -11.016 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.850 6.767 -11.516 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.443 9.055 -12.360 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.800 7.075 -12.861 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.153 8.219 -13.285 1.00 0.00 C ATOM 0 H PHE A 46 0.195 8.815 -7.179 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.998 8.576 -9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.669 7.466 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.497 6.200 -8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.857 9.401 -10.298 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.357 5.870 -11.191 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.950 9.951 -12.688 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.267 6.421 -13.582 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.113 8.460 -14.337 1.00 0.00 H new ATOM 664 N GLY A 47 -1.694 6.600 -6.427 1.00 0.00 N ATOM 665 CA GLY A 47 -2.441 5.691 -5.572 1.00 0.00 C ATOM 666 C GLY A 47 -3.844 6.195 -5.293 1.00 0.00 C ATOM 667 O GLY A 47 -4.767 5.408 -5.107 1.00 0.00 O ATOM 0 H GLY A 47 -0.747 6.807 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.496 4.711 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.909 5.560 -4.630 1.00 0.00 H new ATOM 671 N GLN A 48 -4.001 7.514 -5.285 1.00 0.00 N ATOM 672 CA GLN A 48 -5.301 8.131 -5.052 1.00 0.00 C ATOM 673 C GLN A 48 -6.051 8.255 -6.369 1.00 0.00 C ATOM 674 O GLN A 48 -7.273 8.115 -6.425 1.00 0.00 O ATOM 675 CB GLN A 48 -5.136 9.509 -4.406 1.00 0.00 C ATOM 676 CG GLN A 48 -4.275 10.467 -5.216 1.00 0.00 C ATOM 677 CD GLN A 48 -4.597 11.921 -4.934 1.00 0.00 C ATOM 678 OE1 GLN A 48 -4.605 12.754 -5.840 1.00 0.00 O ATOM 679 NE2 GLN A 48 -4.864 12.232 -3.672 1.00 0.00 N ATOM 0 H GLN A 48 -3.242 8.178 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.872 7.501 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.121 9.953 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.695 9.386 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.224 10.282 -4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.416 10.267 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.846 11.508 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.088 13.195 -3.420 1.00 0.00 H new ATOM 688 N ASP A 49 -5.293 8.504 -7.430 1.00 0.00 N ATOM 689 CA ASP A 49 -5.848 8.636 -8.771 1.00 0.00 C ATOM 690 C ASP A 49 -6.516 7.341 -9.225 1.00 0.00 C ATOM 691 O ASP A 49 -7.187 7.312 -10.257 1.00 0.00 O ATOM 692 CB ASP A 49 -4.736 8.997 -9.758 1.00 0.00 C ATOM 693 CG ASP A 49 -4.252 10.424 -9.591 1.00 0.00 C ATOM 694 OD1 ASP A 49 -5.057 11.277 -9.163 1.00 0.00 O ATOM 695 OD2 ASP A 49 -3.067 10.687 -9.889 1.00 0.00 O ATOM 0 H ASP A 49 -4.281 8.620 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.600 9.425 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.898 8.314 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.099 8.857 -10.776 1.00 0.00 H new ATOM 700 N ILE A 50 -6.300 6.263 -8.476 1.00 0.00 N ATOM 701 CA ILE A 50 -6.852 4.966 -8.835 1.00 0.00 C ATOM 702 C ILE A 50 -7.718 4.372 -7.726 1.00 0.00 C ATOM 703 O ILE A 50 -8.741 3.745 -8.002 1.00 0.00 O ATOM 704 CB ILE A 50 -5.710 3.998 -9.184 1.00 0.00 C ATOM 705 CG1 ILE A 50 -4.896 4.579 -10.345 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.249 2.617 -9.530 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.465 4.904 -9.990 1.00 0.00 C ATOM 0 H ILE A 50 -5.747 6.265 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.497 5.113 -9.701 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.062 3.881 -8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.902 3.868 -11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.386 5.485 -10.701 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.419 1.953 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.797 2.216 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.917 2.692 -10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.956 5.310 -10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.448 5.640 -9.186 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.956 3.997 -9.663 1.00 0.00 H new ATOM 719 N ILE A 51 -7.311 4.563 -6.477 1.00 0.00 N ATOM 720 CA ILE A 51 -8.068 4.029 -5.349 1.00 0.00 C ATOM 721 C ILE A 51 -9.402 4.756 -5.179 1.00 0.00 C ATOM 722 O ILE A 51 -10.435 4.128 -4.966 1.00 0.00 O ATOM 723 CB ILE A 51 -7.252 4.088 -4.029 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.365 2.762 -3.273 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.692 5.249 -3.141 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.040 2.251 -2.748 1.00 0.00 C ATOM 0 H ILE A 51 -6.469 5.078 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.272 2.982 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.208 4.257 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.054 2.887 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.798 2.012 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.097 5.255 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.549 6.189 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.746 5.133 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.196 1.308 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.355 2.094 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.614 2.982 -2.061 1.00 0.00 H new ATOM 738 N SER A 52 -9.373 6.082 -5.270 1.00 0.00 N ATOM 739 CA SER A 52 -10.586 6.880 -5.114 1.00 0.00 C ATOM 740 C SER A 52 -11.633 6.521 -6.172 1.00 0.00 C ATOM 741 O SER A 52 -12.760 6.160 -5.841 1.00 0.00 O ATOM 742 CB SER A 52 -10.251 8.373 -5.188 1.00 0.00 C ATOM 743 OG SER A 52 -10.711 9.057 -4.034 1.00 0.00 O ATOM 0 H SER A 52 -8.528 6.625 -5.450 1.00 0.00 H new ATOM 0 HA SER A 52 -11.009 6.656 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.173 8.503 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.706 8.807 -6.078 1.00 0.00 H new ATOM 0 HG SER A 52 -10.483 10.008 -4.105 1.00 0.00 H new ATOM 749 N PRO A 53 -11.281 6.615 -7.465 1.00 0.00 N ATOM 750 CA PRO A 53 -12.209 6.297 -8.556 1.00 0.00 C ATOM 751 C PRO A 53 -12.928 4.966 -8.343 1.00 0.00 C ATOM 752 O PRO A 53 -14.027 4.755 -8.855 1.00 0.00 O ATOM 753 CB PRO A 53 -11.298 6.219 -9.780 1.00 0.00 C ATOM 754 CG PRO A 53 -10.158 7.121 -9.460 1.00 0.00 C ATOM 755 CD PRO A 53 -9.962 7.043 -7.968 1.00 0.00 C ATOM 0 HA PRO A 53 -13.004 7.037 -8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.958 5.198 -9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.818 6.542 -10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.256 6.810 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.372 8.144 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.182 6.330 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.668 8.006 -7.552 1.00 0.00 H new ATOM 763 N LEU A 54 -12.300 4.072 -7.586 1.00 0.00 N ATOM 764 CA LEU A 54 -12.876 2.761 -7.305 1.00 0.00 C ATOM 765 C LEU A 54 -13.050 2.539 -5.803 1.00 0.00 C ATOM 766 O LEU A 54 -13.252 1.411 -5.354 1.00 0.00 O ATOM 767 CB LEU A 54 -11.980 1.665 -7.880 1.00 0.00 C ATOM 768 CG LEU A 54 -11.694 1.780 -9.379 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.213 1.574 -9.661 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.532 0.778 -10.156 1.00 0.00 C ATOM 0 H LEU A 54 -11.390 4.232 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.859 2.720 -7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.031 1.674 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.446 0.698 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.965 2.784 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.031 1.660 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.633 2.331 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.912 0.583 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.317 0.872 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.291 -0.232 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.590 0.974 -9.980 1.00 0.00 H new ATOM 782 N LEU A 55 -12.954 3.616 -5.028 1.00 0.00 N ATOM 783 CA LEU A 55 -13.081 3.530 -3.579 1.00 0.00 C ATOM 784 C LEU A 55 -13.301 4.910 -2.962 1.00 0.00 C ATOM 785 O LEU A 55 -12.926 5.925 -3.541 1.00 0.00 O ATOM 786 CB LEU A 55 -11.820 2.891 -3.007 1.00 0.00 C ATOM 787 CG LEU A 55 -12.066 1.768 -2.014 1.00 0.00 C ATOM 788 CD1 LEU A 55 -10.884 0.817 -1.999 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.323 2.348 -0.638 1.00 0.00 C ATOM 0 H LEU A 55 -12.789 4.559 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.949 2.917 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.221 2.503 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.227 3.665 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.947 1.202 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.071 0.016 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.747 0.391 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.984 1.360 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.499 1.539 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.456 2.927 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.199 2.996 -0.674 1.00 0.00 H new ATOM 801 N SER A 56 -13.912 4.946 -1.781 1.00 0.00 N ATOM 802 CA SER A 56 -14.170 6.214 -1.103 1.00 0.00 C ATOM 803 C SER A 56 -13.710 6.168 0.351 1.00 0.00 C ATOM 804 O SER A 56 -13.270 5.129 0.843 1.00 0.00 O ATOM 805 CB SER A 56 -15.657 6.571 -1.173 1.00 0.00 C ATOM 806 OG SER A 56 -16.271 5.994 -2.313 1.00 0.00 O ATOM 0 H SER A 56 -14.235 4.120 -1.277 1.00 0.00 H new ATOM 0 HA SER A 56 -13.597 6.986 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.160 6.223 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.772 7.654 -1.204 1.00 0.00 H new ATOM 0 HG SER A 56 -17.104 5.551 -2.047 1.00 0.00 H new ATOM 812 N VAL A 57 -13.812 7.307 1.029 1.00 0.00 N ATOM 813 CA VAL A 57 -13.404 7.413 2.427 1.00 0.00 C ATOM 814 C VAL A 57 -14.272 6.539 3.319 1.00 0.00 C ATOM 815 O VAL A 57 -13.769 5.775 4.141 1.00 0.00 O ATOM 816 CB VAL A 57 -13.494 8.867 2.934 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.641 9.052 4.178 1.00 0.00 C ATOM 818 CG2 VAL A 57 -13.083 9.846 1.845 1.00 0.00 C ATOM 0 H VAL A 57 -14.175 8.173 0.631 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.368 7.076 2.475 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.531 9.074 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.717 10.084 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.992 8.382 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.601 8.823 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.155 10.865 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.056 9.643 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.744 9.733 0.986 1.00 0.00 H new ATOM 828 N LYS A 58 -15.581 6.668 3.158 1.00 0.00 N ATOM 829 CA LYS A 58 -16.524 5.895 3.958 1.00 0.00 C ATOM 830 C LYS A 58 -16.379 4.402 3.689 1.00 0.00 C ATOM 831 O LYS A 58 -16.516 3.586 4.601 1.00 0.00 O ATOM 832 CB LYS A 58 -17.961 6.352 3.691 1.00 0.00 C ATOM 833 CG LYS A 58 -18.467 6.000 2.302 1.00 0.00 C ATOM 834 CD LYS A 58 -19.980 6.130 2.208 1.00 0.00 C ATOM 835 CE LYS A 58 -20.656 4.769 2.176 1.00 0.00 C ATOM 836 NZ LYS A 58 -20.213 3.900 3.303 1.00 0.00 N ATOM 0 H LYS A 58 -16.015 7.298 2.483 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.294 6.072 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.620 5.901 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.020 7.432 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.999 6.654 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.173 4.980 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.351 6.701 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.243 6.689 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.737 4.900 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.435 4.276 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.885 3.115 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.268 3.519 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.177 4.459 4.179 1.00 0.00 H new ATOM 850 N GLU A 59 -16.076 4.042 2.444 1.00 0.00 N ATOM 851 CA GLU A 59 -15.888 2.635 2.104 1.00 0.00 C ATOM 852 C GLU A 59 -14.530 2.177 2.616 1.00 0.00 C ATOM 853 O GLU A 59 -14.350 1.020 2.996 1.00 0.00 O ATOM 854 CB GLU A 59 -16.001 2.364 0.591 1.00 0.00 C ATOM 855 CG GLU A 59 -16.326 3.578 -0.263 1.00 0.00 C ATOM 856 CD GLU A 59 -17.766 4.032 -0.113 1.00 0.00 C ATOM 857 OE1 GLU A 59 -18.565 3.280 0.482 1.00 0.00 O ATOM 858 OE2 GLU A 59 -18.093 5.138 -0.591 1.00 0.00 O ATOM 0 H GLU A 59 -15.957 4.692 1.667 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.688 2.070 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.060 1.937 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.772 1.610 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.661 4.397 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.131 3.344 -1.309 1.00 0.00 H new ATOM 865 N LEU A 60 -13.581 3.110 2.642 1.00 0.00 N ATOM 866 CA LEU A 60 -12.241 2.825 3.128 1.00 0.00 C ATOM 867 C LEU A 60 -12.300 2.364 4.575 1.00 0.00 C ATOM 868 O LEU A 60 -11.733 1.334 4.935 1.00 0.00 O ATOM 869 CB LEU A 60 -11.360 4.071 3.008 1.00 0.00 C ATOM 870 CG LEU A 60 -10.713 4.262 1.639 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.431 5.732 1.374 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.439 3.441 1.544 1.00 0.00 C ATOM 0 H LEU A 60 -13.720 4.071 2.330 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.808 2.030 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.963 4.950 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.575 4.019 3.762 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.408 3.913 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.970 5.843 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.365 6.292 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.755 6.116 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.986 3.585 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.741 3.762 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.675 2.386 1.684 1.00 0.00 H new ATOM 884 N ARG A 61 -13.002 3.131 5.399 1.00 0.00 N ATOM 885 CA ARG A 61 -13.148 2.798 6.810 1.00 0.00 C ATOM 886 C ARG A 61 -14.164 1.676 7.004 1.00 0.00 C ATOM 887 O ARG A 61 -14.113 0.944 7.992 1.00 0.00 O ATOM 888 CB ARG A 61 -13.576 4.033 7.603 1.00 0.00 C ATOM 889 CG ARG A 61 -12.420 4.942 7.985 1.00 0.00 C ATOM 890 CD ARG A 61 -12.227 4.997 9.492 1.00 0.00 C ATOM 891 NE ARG A 61 -13.272 5.780 10.149 1.00 0.00 N ATOM 892 CZ ARG A 61 -13.237 7.104 10.282 1.00 0.00 C ATOM 893 NH1 ARG A 61 -12.217 7.801 9.795 1.00 0.00 N ATOM 894 NH2 ARG A 61 -14.226 7.733 10.902 1.00 0.00 N ATOM 0 H ARG A 61 -13.479 3.987 5.115 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.182 2.454 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.295 4.602 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.090 3.712 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.504 4.586 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.605 5.946 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.226 3.984 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.253 5.431 9.717 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.077 5.282 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.455 7.322 9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.196 8.815 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.013 7.202 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.200 8.748 11.005 1.00 0.00 H new ATOM 908 N ASP A 62 -15.088 1.549 6.056 1.00 0.00 N ATOM 909 CA ASP A 62 -16.120 0.519 6.124 1.00 0.00 C ATOM 910 C ASP A 62 -15.586 -0.842 5.678 1.00 0.00 C ATOM 911 O ASP A 62 -16.220 -1.870 5.912 1.00 0.00 O ATOM 912 CB ASP A 62 -17.319 0.913 5.259 1.00 0.00 C ATOM 913 CG ASP A 62 -18.477 -0.053 5.401 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.423 -1.140 4.786 1.00 0.00 O ATOM 915 OD2 ASP A 62 -19.441 0.275 6.125 1.00 0.00 O ATOM 0 H ASP A 62 -15.143 2.147 5.231 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.434 0.435 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.649 1.914 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.011 0.956 4.214 1.00 0.00 H new ATOM 920 N MET A 63 -14.419 -0.847 5.037 1.00 0.00 N ATOM 921 CA MET A 63 -13.816 -2.091 4.566 1.00 0.00 C ATOM 922 C MET A 63 -12.894 -2.687 5.622 1.00 0.00 C ATOM 923 O MET A 63 -12.581 -3.877 5.585 1.00 0.00 O ATOM 924 CB MET A 63 -13.019 -1.841 3.290 1.00 0.00 C ATOM 925 CG MET A 63 -13.864 -1.805 2.027 1.00 0.00 C ATOM 926 SD MET A 63 -12.886 -1.461 0.551 1.00 0.00 S ATOM 927 CE MET A 63 -11.676 -0.312 1.206 1.00 0.00 C ATOM 0 H MET A 63 -13.875 -0.009 4.833 1.00 0.00 H new ATOM 0 HA MET A 63 -14.623 -2.796 4.364 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.488 -0.894 3.386 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.264 -2.621 3.187 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.373 -2.761 1.907 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.637 -1.044 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.172 0.195 0.383 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.177 0.425 1.834 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.942 -0.856 1.800 1.00 0.00 H new ATOM 937 N GLY A 64 -12.456 -1.857 6.563 1.00 0.00 N ATOM 938 CA GLY A 64 -11.572 -2.329 7.608 1.00 0.00 C ATOM 939 C GLY A 64 -10.245 -1.596 7.628 1.00 0.00 C ATOM 940 O GLY A 64 -9.211 -2.185 7.945 1.00 0.00 O ATOM 0 H GLY A 64 -12.698 -0.868 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.062 -2.210 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.391 -3.395 7.471 1.00 0.00 H new ATOM 944 N ILE A 65 -10.269 -0.309 7.294 1.00 0.00 N ATOM 945 CA ILE A 65 -9.052 0.492 7.285 1.00 0.00 C ATOM 946 C ILE A 65 -8.922 1.305 8.572 1.00 0.00 C ATOM 947 O ILE A 65 -9.873 1.951 9.010 1.00 0.00 O ATOM 948 CB ILE A 65 -8.996 1.427 6.051 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.579 1.455 5.487 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.468 2.837 6.390 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.407 2.412 4.329 1.00 0.00 C ATOM 0 H ILE A 65 -11.113 0.198 7.028 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.211 -0.198 7.224 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.675 1.032 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.886 1.731 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.307 0.451 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.414 3.463 5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.498 2.800 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.830 3.257 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.375 2.379 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.075 2.124 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.647 3.424 4.655 1.00 0.00 H new ATOM 963 N THR A 66 -7.744 1.253 9.180 1.00 0.00 N ATOM 964 CA THR A 66 -7.499 1.971 10.427 1.00 0.00 C ATOM 965 C THR A 66 -6.896 3.350 10.182 1.00 0.00 C ATOM 966 O THR A 66 -7.018 4.240 11.024 1.00 0.00 O ATOM 967 CB THR A 66 -6.571 1.160 11.328 1.00 0.00 C ATOM 968 OG1 THR A 66 -6.107 1.950 12.409 1.00 0.00 O ATOM 969 CG2 THR A 66 -5.359 0.619 10.603 1.00 0.00 C ATOM 0 H THR A 66 -6.945 0.723 8.832 1.00 0.00 H new ATOM 0 HA THR A 66 -8.463 2.108 10.917 1.00 0.00 H new ATOM 0 HB THR A 66 -7.170 0.320 11.680 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.515 1.413 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.741 0.053 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.682 -0.033 9.791 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.780 1.447 10.195 1.00 0.00 H new ATOM 977 N LEU A 67 -6.232 3.530 9.043 1.00 0.00 N ATOM 978 CA LEU A 67 -5.611 4.814 8.741 1.00 0.00 C ATOM 979 C LEU A 67 -5.152 4.897 7.286 1.00 0.00 C ATOM 980 O LEU A 67 -4.508 3.984 6.767 1.00 0.00 O ATOM 981 CB LEU A 67 -4.434 5.048 9.701 1.00 0.00 C ATOM 982 CG LEU A 67 -3.332 6.008 9.228 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.420 5.332 8.212 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.932 7.281 8.652 1.00 0.00 C ATOM 0 H LEU A 67 -6.112 2.815 8.325 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.355 5.598 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.834 5.427 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.974 4.083 9.916 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.729 6.280 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.648 6.033 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.952 4.459 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.006 5.020 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.132 7.944 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.568 7.032 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.527 7.781 9.416 1.00 0.00 H new ATOM 996 N HIS A 68 -5.472 6.019 6.654 1.00 0.00 N ATOM 997 CA HIS A 68 -5.085 6.275 5.271 1.00 0.00 C ATOM 998 C HIS A 68 -4.165 7.489 5.227 1.00 0.00 C ATOM 999 O HIS A 68 -4.565 8.589 5.609 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.321 6.513 4.399 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.326 7.433 5.022 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -8.251 7.017 5.956 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.549 8.756 4.839 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.999 8.043 6.320 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.594 9.110 5.657 1.00 0.00 N ATOM 0 H HIS A 68 -6.005 6.775 7.083 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.559 5.404 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.006 6.928 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.798 5.555 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.006 9.411 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.805 8.014 7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.992 10.045 5.739 1.00 0.00 H new ATOM 1014 N LEU A 69 -2.922 7.286 4.806 1.00 0.00 N ATOM 1015 CA LEU A 69 -1.954 8.378 4.775 1.00 0.00 C ATOM 1016 C LEU A 69 -1.201 8.463 3.454 1.00 0.00 C ATOM 1017 O LEU A 69 -1.153 7.508 2.676 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.947 8.191 5.910 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.310 9.473 6.448 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.043 9.300 7.918 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.930 9.841 5.635 1.00 0.00 C ATOM 0 H LEU A 69 -2.563 6.387 4.485 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.512 9.307 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.446 7.682 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.153 7.531 5.562 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.028 10.287 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.496 10.217 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.861 9.083 8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.747 8.476 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.368 10.756 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.659 9.033 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.649 9.997 4.594 1.00 0.00 H new ATOM 1033 N LEU A 70 -0.600 9.624 3.228 1.00 0.00 N ATOM 1034 CA LEU A 70 0.182 9.872 2.032 1.00 0.00 C ATOM 1035 C LEU A 70 1.662 9.674 2.313 1.00 0.00 C ATOM 1036 O LEU A 70 2.207 10.268 3.245 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.028 11.307 1.548 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.137 11.514 0.525 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -0.976 12.871 -0.137 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -1.122 10.416 -0.525 1.00 0.00 C ATOM 0 H LEU A 70 -0.643 10.416 3.869 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.146 9.168 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.239 11.934 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.907 11.664 1.117 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.096 11.474 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.771 13.016 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.032 13.654 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.009 12.919 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.924 10.588 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.163 10.422 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.268 9.449 -0.043 1.00 0.00 H new ATOM 1052 N LEU A 71 2.319 8.866 1.494 1.00 0.00 N ATOM 1053 CA LEU A 71 3.754 8.631 1.653 1.00 0.00 C ATOM 1054 C LEU A 71 4.498 9.956 1.820 1.00 0.00 C ATOM 1055 O LEU A 71 5.585 10.006 2.397 1.00 0.00 O ATOM 1056 CB LEU A 71 4.321 7.879 0.445 1.00 0.00 C ATOM 1057 CG LEU A 71 4.279 6.355 0.554 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.361 5.774 -0.500 1.00 0.00 C ATOM 1059 CD2 LEU A 71 5.665 5.757 0.420 1.00 0.00 C ATOM 0 H LEU A 71 1.889 8.364 0.717 1.00 0.00 H new ATOM 0 HA LEU A 71 3.895 8.023 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.767 8.180 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.355 8.189 0.296 1.00 0.00 H new ATOM 0 HG LEU A 71 3.892 6.103 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.343 4.688 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.354 6.167 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.725 6.048 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.603 4.672 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.084 6.024 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.306 6.144 1.212 1.00 0.00 H new ATOM 1071 N HIS A 72 3.900 11.025 1.298 1.00 0.00 N ATOM 1072 CA HIS A 72 4.490 12.355 1.369 1.00 0.00 C ATOM 1073 C HIS A 72 3.865 13.187 2.482 1.00 0.00 C ATOM 1074 O HIS A 72 3.713 14.402 2.352 1.00 0.00 O ATOM 1075 CB HIS A 72 4.314 13.073 0.034 1.00 0.00 C ATOM 1076 CG HIS A 72 5.415 14.037 -0.282 1.00 0.00 C ATOM 1077 ND1 HIS A 72 5.353 14.935 -1.327 1.00 0.00 N ATOM 1078 CD2 HIS A 72 6.611 14.242 0.317 1.00 0.00 C ATOM 1079 CE1 HIS A 72 6.465 15.650 -1.357 1.00 0.00 C ATOM 1080 NE2 HIS A 72 7.243 15.249 -0.370 1.00 0.00 N ATOM 0 H HIS A 72 3.000 10.992 0.818 1.00 0.00 H new ATOM 0 HA HIS A 72 5.551 12.237 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.254 12.331 -0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.365 13.609 0.043 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.997 13.712 1.176 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.697 16.429 -2.068 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.165 15.626 -0.152 1.00 0.00 H new ATOM 1089 N SER A 73 3.509 12.528 3.572 1.00 0.00 N ATOM 1090 CA SER A 73 2.903 13.212 4.710 1.00 0.00 C ATOM 1091 C SER A 73 3.376 12.601 6.024 1.00 0.00 C ATOM 1092 O SER A 73 3.726 11.422 6.080 1.00 0.00 O ATOM 1093 CB SER A 73 1.376 13.146 4.618 1.00 0.00 C ATOM 1094 OG SER A 73 0.841 14.367 4.134 1.00 0.00 O ATOM 0 H SER A 73 3.627 11.523 3.696 1.00 0.00 H new ATOM 0 HA SER A 73 3.214 14.256 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.083 12.330 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.958 12.926 5.601 1.00 0.00 H new ATOM 0 HG SER A 73 -0.135 14.299 4.083 1.00 0.00 H new ATOM 1100 N ASP A 74 3.382 13.408 7.083 1.00 0.00 N ATOM 1101 CA ASP A 74 3.812 12.940 8.398 1.00 0.00 C ATOM 1102 C ASP A 74 3.125 11.627 8.748 1.00 0.00 C ATOM 1103 O ASP A 74 1.955 11.607 9.133 1.00 0.00 O ATOM 1104 CB ASP A 74 3.508 13.988 9.468 1.00 0.00 C ATOM 1105 CG ASP A 74 3.970 15.375 9.068 1.00 0.00 C ATOM 1106 OD1 ASP A 74 4.859 15.476 8.196 1.00 0.00 O ATOM 1107 OD2 ASP A 74 3.444 16.360 9.627 1.00 0.00 O ATOM 0 H ASP A 74 3.095 14.386 7.056 1.00 0.00 H new ATOM 0 HA ASP A 74 4.889 12.776 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.435 14.007 9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.993 13.702 10.401 1.00 0.00 H new ATOM 1112 N ARG A 75 3.857 10.532 8.599 1.00 0.00 N ATOM 1113 CA ARG A 75 3.323 9.206 8.881 1.00 0.00 C ATOM 1114 C ARG A 75 3.080 8.998 10.370 1.00 0.00 C ATOM 1115 O ARG A 75 3.906 9.367 11.205 1.00 0.00 O ATOM 1116 CB ARG A 75 4.272 8.130 8.356 1.00 0.00 C ATOM 1117 CG ARG A 75 4.691 8.348 6.912 1.00 0.00 C ATOM 1118 CD ARG A 75 4.647 7.056 6.114 1.00 0.00 C ATOM 1119 NE ARG A 75 5.036 7.264 4.726 1.00 0.00 N ATOM 1120 CZ ARG A 75 6.290 7.496 4.336 1.00 0.00 C ATOM 1121 NH1 ARG A 75 7.266 7.570 5.233 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.570 7.655 3.051 1.00 0.00 N ATOM 0 H ARG A 75 4.827 10.536 8.283 1.00 0.00 H new ATOM 0 HA ARG A 75 2.363 9.126 8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.162 8.103 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.790 7.156 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.034 9.084 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.700 8.759 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.312 6.323 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.640 6.640 6.151 1.00 0.00 H new ATOM 0 HE ARG A 75 4.308 7.230 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.058 7.449 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.224 7.748 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.825 7.600 2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.530 7.832 2.756 1.00 0.00 H new ATOM 1136 N ASP A 76 1.942 8.392 10.691 1.00 0.00 N ATOM 1137 CA ASP A 76 1.586 8.113 12.075 1.00 0.00 C ATOM 1138 C ASP A 76 2.093 6.733 12.478 1.00 0.00 C ATOM 1139 O ASP A 76 2.178 5.831 11.646 1.00 0.00 O ATOM 1140 CB ASP A 76 0.069 8.190 12.263 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.420 9.615 12.434 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -0.392 10.376 11.444 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -0.833 9.969 13.559 1.00 0.00 O ATOM 0 H ASP A 76 1.249 8.084 10.008 1.00 0.00 H new ATOM 0 HA ASP A 76 2.054 8.863 12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.425 7.740 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.217 7.603 13.136 1.00 0.00 H new ATOM 1148 N PRO A 77 2.449 6.547 13.758 1.00 0.00 N ATOM 1149 CA PRO A 77 2.959 5.270 14.249 1.00 0.00 C ATOM 1150 C PRO A 77 1.851 4.270 14.564 1.00 0.00 C ATOM 1151 O PRO A 77 1.110 4.432 15.534 1.00 0.00 O ATOM 1152 CB PRO A 77 3.697 5.670 15.522 1.00 0.00 C ATOM 1153 CG PRO A 77 2.947 6.853 16.033 1.00 0.00 C ATOM 1154 CD PRO A 77 2.400 7.569 14.823 1.00 0.00 C ATOM 0 HA PRO A 77 3.580 4.765 13.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.702 4.858 16.250 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.738 5.919 15.316 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.141 6.543 16.698 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.601 7.508 16.609 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.383 7.922 14.993 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.002 8.442 14.568 1.00 0.00 H new ATOM 1162 N ILE A 78 1.755 3.227 13.744 1.00 0.00 N ATOM 1163 CA ILE A 78 0.752 2.185 13.937 1.00 0.00 C ATOM 1164 C ILE A 78 1.370 0.805 13.727 1.00 0.00 C ATOM 1165 O ILE A 78 0.899 0.013 12.911 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.443 2.364 12.980 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.976 3.795 13.058 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.543 1.367 13.311 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.353 4.729 12.045 1.00 0.00 C ATOM 0 H ILE A 78 2.362 3.081 12.937 1.00 0.00 H new ATOM 0 HA ILE A 78 0.388 2.270 14.961 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.103 2.176 11.961 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.056 3.780 12.910 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.797 4.187 14.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.379 1.507 12.626 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.157 0.353 13.210 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.882 1.526 14.335 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.779 5.726 12.159 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.724 4.774 12.206 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.555 4.361 11.039 1.00 0.00 H new ATOM 1181 N ARG A 79 2.440 0.534 14.469 1.00 0.00 N ATOM 1182 CA ARG A 79 3.150 -0.739 14.375 1.00 0.00 C ATOM 1183 C ARG A 79 2.271 -1.910 14.800 1.00 0.00 C ATOM 1184 O ARG A 79 2.527 -3.054 14.431 1.00 0.00 O ATOM 1185 CB ARG A 79 4.403 -0.700 15.246 1.00 0.00 C ATOM 1186 CG ARG A 79 4.109 -0.567 16.732 1.00 0.00 C ATOM 1187 CD ARG A 79 4.838 0.619 17.346 1.00 0.00 C ATOM 1188 NE ARG A 79 6.284 0.412 17.387 1.00 0.00 N ATOM 1189 CZ ARG A 79 7.108 1.086 18.186 1.00 0.00 C ATOM 1190 NH1 ARG A 79 6.633 2.010 19.013 1.00 0.00 N ATOM 1191 NH2 ARG A 79 8.409 0.836 18.160 1.00 0.00 N ATOM 0 H ARG A 79 2.837 1.184 15.147 1.00 0.00 H new ATOM 0 HA ARG A 79 3.426 -0.886 13.331 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.980 -1.610 15.079 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.028 0.136 14.932 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.036 -0.451 16.882 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.406 -1.482 17.245 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.617 1.518 16.771 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.467 0.788 18.357 1.00 0.00 H new ATOM 0 HE ARG A 79 6.686 -0.291 16.766 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.632 2.206 19.038 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.269 2.524 19.623 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.779 0.127 17.527 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.040 1.353 18.772 1.00 0.00 H new ATOM 1205 N ASP A 80 1.249 -1.622 15.593 1.00 0.00 N ATOM 1206 CA ASP A 80 0.346 -2.659 16.083 1.00 0.00 C ATOM 1207 C ASP A 80 -0.692 -3.066 15.033 1.00 0.00 C ATOM 1208 O ASP A 80 -1.586 -3.861 15.321 1.00 0.00 O ATOM 1209 CB ASP A 80 -0.364 -2.181 17.351 1.00 0.00 C ATOM 1210 CG ASP A 80 -0.680 -3.320 18.301 1.00 0.00 C ATOM 1211 OD1 ASP A 80 0.260 -3.837 18.941 1.00 0.00 O ATOM 1212 OD2 ASP A 80 -1.867 -3.695 18.405 1.00 0.00 O ATOM 0 H ASP A 80 1.023 -0.680 15.912 1.00 0.00 H new ATOM 0 HA ASP A 80 0.953 -3.537 16.306 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.263 -1.449 17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.289 -1.673 17.077 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.585 -2.518 13.823 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.532 -2.840 12.763 1.00 0.00 C ATOM 1219 C VAL A 81 -0.845 -2.923 11.399 1.00 0.00 C ATOM 1220 O VAL A 81 -0.005 -2.086 11.071 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.646 -1.782 12.693 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.706 -2.180 11.678 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -3.268 -1.564 14.064 1.00 0.00 C ATOM 0 H VAL A 81 0.143 -1.855 13.556 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.959 -3.814 13.002 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.201 -0.842 12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.484 -1.417 11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.249 -2.274 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.146 -3.134 11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.054 -0.812 13.992 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.694 -2.501 14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.502 -1.223 14.761 1.00 0.00 H new ATOM 1233 N PRO A 82 -1.202 -3.930 10.576 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.619 -4.100 9.240 1.00 0.00 C ATOM 1235 C PRO A 82 -0.899 -2.898 8.344 1.00 0.00 C ATOM 1236 O PRO A 82 -2.001 -2.349 8.356 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.313 -5.352 8.691 1.00 0.00 C ATOM 1238 CG PRO A 82 -2.546 -5.507 9.515 1.00 0.00 C ATOM 1239 CD PRO A 82 -2.202 -4.970 10.874 1.00 0.00 C ATOM 0 HA PRO A 82 0.467 -4.192 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.557 -5.236 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.670 -6.228 8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.380 -4.958 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.848 -6.553 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.076 -4.557 11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.796 -5.746 11.524 1.00 0.00 H new ATOM 1247 N ALA A 83 0.105 -2.480 7.577 1.00 0.00 N ATOM 1248 CA ALA A 83 -0.045 -1.329 6.693 1.00 0.00 C ATOM 1249 C ALA A 83 0.097 -1.709 5.222 1.00 0.00 C ATOM 1250 O ALA A 83 0.705 -2.722 4.880 1.00 0.00 O ATOM 1251 CB ALA A 83 0.974 -0.261 7.055 1.00 0.00 C ATOM 0 H ALA A 83 1.026 -2.919 7.550 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.053 -0.939 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.856 0.595 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.818 0.056 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.980 -0.667 6.948 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.470 -0.869 4.361 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.422 -1.069 2.919 1.00 0.00 C ATOM 1259 C VAL A 84 0.148 0.169 2.239 1.00 0.00 C ATOM 1260 O VAL A 84 -0.052 1.286 2.711 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.827 -1.351 2.347 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.767 -1.619 0.848 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.478 -2.510 3.083 1.00 0.00 C ATOM 0 H VAL A 84 -0.976 -0.030 4.645 1.00 0.00 H new ATOM 0 HA VAL A 84 0.217 -1.930 2.725 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.440 -0.462 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.772 -1.814 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.353 -0.749 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.134 -2.486 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.468 -2.695 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.864 -3.404 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.569 -2.264 4.141 1.00 0.00 H new ATOM 1273 N TYR A 85 0.858 -0.025 1.136 1.00 0.00 N ATOM 1274 CA TYR A 85 1.446 1.094 0.413 1.00 0.00 C ATOM 1275 C TYR A 85 1.281 0.920 -1.093 1.00 0.00 C ATOM 1276 O TYR A 85 2.095 0.265 -1.742 1.00 0.00 O ATOM 1277 CB TYR A 85 2.928 1.224 0.757 1.00 0.00 C ATOM 1278 CG TYR A 85 3.198 1.921 2.069 1.00 0.00 C ATOM 1279 CD1 TYR A 85 2.865 1.323 3.278 1.00 0.00 C ATOM 1280 CD2 TYR A 85 3.796 3.174 2.097 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.118 1.957 4.479 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.052 3.813 3.294 1.00 0.00 C ATOM 1283 CZ TYR A 85 3.711 3.201 4.482 1.00 0.00 C ATOM 1284 OH TYR A 85 3.966 3.835 5.676 1.00 0.00 O ATOM 0 H TYR A 85 1.040 -0.940 0.724 1.00 0.00 H new ATOM 0 HA TYR A 85 0.924 2.002 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.371 0.229 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.429 1.770 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.401 0.348 3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.065 3.656 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.852 1.480 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.517 4.788 3.300 1.00 0.00 H new ATOM 0 HH TYR A 85 3.288 3.576 6.335 1.00 0.00 H new ATOM 1294 N PHE A 86 0.229 1.516 -1.645 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.032 1.427 -3.076 1.00 0.00 C ATOM 1296 C PHE A 86 0.353 2.727 -3.770 1.00 0.00 C ATOM 1297 O PHE A 86 -0.437 3.669 -3.829 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.504 1.090 -3.330 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.042 1.590 -4.643 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.310 1.438 -5.810 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.279 2.207 -4.708 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -1.804 1.893 -7.015 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -3.779 2.662 -5.911 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.040 2.506 -7.065 1.00 0.00 C ATOM 0 H PHE A 86 -0.455 2.065 -1.124 1.00 0.00 H new ATOM 0 HA PHE A 86 0.579 0.626 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.628 0.008 -3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.104 1.510 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.343 0.958 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.860 2.334 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.225 1.770 -7.918 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.747 3.139 -5.949 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.428 2.863 -8.007 1.00 0.00 H new ATOM 1314 N VAL A 87 1.572 2.766 -4.291 1.00 0.00 N ATOM 1315 CA VAL A 87 2.070 3.946 -4.978 1.00 0.00 C ATOM 1316 C VAL A 87 3.001 3.557 -6.121 1.00 0.00 C ATOM 1317 O VAL A 87 3.298 2.383 -6.311 1.00 0.00 O ATOM 1318 CB VAL A 87 2.807 4.872 -3.997 1.00 0.00 C ATOM 1319 CG1 VAL A 87 1.863 5.292 -2.884 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.038 4.184 -3.430 1.00 0.00 C ATOM 0 H VAL A 87 2.234 1.991 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 87 1.214 4.478 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 87 3.140 5.762 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.388 5.948 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.011 5.822 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.512 4.408 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.545 4.857 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.738 3.279 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.715 3.922 -4.243 1.00 0.00 H new ATOM 1330 N MET A 88 3.451 4.543 -6.884 1.00 0.00 N ATOM 1331 CA MET A 88 4.344 4.287 -8.009 1.00 0.00 C ATOM 1332 C MET A 88 5.758 4.001 -7.521 1.00 0.00 C ATOM 1333 O MET A 88 6.180 4.527 -6.496 1.00 0.00 O ATOM 1334 CB MET A 88 4.358 5.489 -8.955 1.00 0.00 C ATOM 1335 CG MET A 88 4.713 5.135 -10.390 1.00 0.00 C ATOM 1336 SD MET A 88 4.009 6.289 -11.580 1.00 0.00 S ATOM 1337 CE MET A 88 2.273 6.141 -11.181 1.00 0.00 C ATOM 0 H MET A 88 3.214 5.526 -6.747 1.00 0.00 H new ATOM 0 HA MET A 88 3.976 3.412 -8.544 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.377 5.963 -8.940 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.073 6.223 -8.584 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.797 5.122 -10.500 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.358 4.129 -10.611 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.679 6.622 -11.958 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.003 5.087 -11.118 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.077 6.624 -10.223 1.00 0.00 H new ATOM 1347 N PRO A 89 6.519 3.167 -8.243 1.00 0.00 N ATOM 1348 CA PRO A 89 7.885 2.841 -7.861 1.00 0.00 C ATOM 1349 C PRO A 89 8.878 3.877 -8.368 1.00 0.00 C ATOM 1350 O PRO A 89 9.953 3.534 -8.860 1.00 0.00 O ATOM 1351 CB PRO A 89 8.115 1.494 -8.533 1.00 0.00 C ATOM 1352 CG PRO A 89 7.255 1.519 -9.755 1.00 0.00 C ATOM 1353 CD PRO A 89 6.120 2.479 -9.484 1.00 0.00 C ATOM 0 HA PRO A 89 8.026 2.820 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.165 1.356 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.839 0.672 -7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.830 1.839 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.872 0.523 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.989 3.183 -10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.173 1.953 -9.361 1.00 0.00 H new ATOM 1361 N THR A 90 8.509 5.147 -8.244 1.00 0.00 N ATOM 1362 CA THR A 90 9.362 6.234 -8.687 1.00 0.00 C ATOM 1363 C THR A 90 10.533 6.426 -7.731 1.00 0.00 C ATOM 1364 O THR A 90 10.455 6.056 -6.559 1.00 0.00 O ATOM 1365 CB THR A 90 8.549 7.522 -8.789 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.104 7.936 -7.511 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.333 7.392 -9.680 1.00 0.00 C ATOM 0 H THR A 90 7.622 5.446 -7.839 1.00 0.00 H new ATOM 0 HA THR A 90 9.762 5.984 -9.670 1.00 0.00 H new ATOM 0 HB THR A 90 9.224 8.256 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.130 8.046 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.800 8.342 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.648 7.122 -10.688 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.674 6.618 -9.286 1.00 0.00 H new ATOM 1375 N GLU A 91 11.618 7.005 -8.239 1.00 0.00 N ATOM 1376 CA GLU A 91 12.815 7.246 -7.432 1.00 0.00 C ATOM 1377 C GLU A 91 12.451 7.827 -6.068 1.00 0.00 C ATOM 1378 O GLU A 91 12.943 7.369 -5.036 1.00 0.00 O ATOM 1379 CB GLU A 91 13.771 8.198 -8.157 1.00 0.00 C ATOM 1380 CG GLU A 91 13.869 7.946 -9.652 1.00 0.00 C ATOM 1381 CD GLU A 91 15.263 8.194 -10.195 1.00 0.00 C ATOM 1382 OE1 GLU A 91 15.852 9.246 -9.864 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.767 7.337 -10.951 1.00 0.00 O ATOM 0 H GLU A 91 11.695 7.317 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 91 13.310 6.287 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.442 9.224 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.764 8.106 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.579 6.917 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.160 8.590 -10.173 1.00 0.00 H new ATOM 1390 N GLU A 92 11.587 8.836 -6.072 1.00 0.00 N ATOM 1391 CA GLU A 92 11.159 9.476 -4.833 1.00 0.00 C ATOM 1392 C GLU A 92 10.319 8.520 -3.991 1.00 0.00 C ATOM 1393 O GLU A 92 10.382 8.542 -2.763 1.00 0.00 O ATOM 1394 CB GLU A 92 10.364 10.749 -5.134 1.00 0.00 C ATOM 1395 CG GLU A 92 9.313 10.571 -6.217 1.00 0.00 C ATOM 1396 CD GLU A 92 9.717 11.210 -7.532 1.00 0.00 C ATOM 1397 OE1 GLU A 92 10.933 11.341 -7.781 1.00 0.00 O ATOM 1398 OE2 GLU A 92 8.814 11.578 -8.314 1.00 0.00 O ATOM 0 H GLU A 92 11.170 9.228 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 92 12.050 9.744 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.877 11.087 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.055 11.535 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.135 9.507 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.372 11.006 -5.880 1.00 0.00 H new ATOM 1405 N ASN A 93 9.537 7.678 -4.661 1.00 0.00 N ATOM 1406 CA ASN A 93 8.693 6.710 -3.971 1.00 0.00 C ATOM 1407 C ASN A 93 9.541 5.631 -3.317 1.00 0.00 C ATOM 1408 O ASN A 93 9.282 5.220 -2.186 1.00 0.00 O ATOM 1409 CB ASN A 93 7.707 6.075 -4.949 1.00 0.00 C ATOM 1410 CG ASN A 93 6.549 7.005 -5.267 1.00 0.00 C ATOM 1411 OD1 ASN A 93 6.744 8.199 -5.493 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.336 6.466 -5.278 1.00 0.00 N ATOM 0 H ASN A 93 9.471 7.647 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 93 8.135 7.234 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 93 8.227 5.814 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.322 5.147 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.522 7.046 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.218 5.471 -5.085 1.00 0.00 H new ATOM 1419 N ILE A 94 10.561 5.181 -4.037 1.00 0.00 N ATOM 1420 CA ILE A 94 11.458 4.154 -3.532 1.00 0.00 C ATOM 1421 C ILE A 94 12.122 4.616 -2.241 1.00 0.00 C ATOM 1422 O ILE A 94 12.373 3.818 -1.338 1.00 0.00 O ATOM 1423 CB ILE A 94 12.545 3.789 -4.567 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.938 3.557 -5.961 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.315 2.562 -4.112 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.492 3.103 -5.954 1.00 0.00 C ATOM 0 H ILE A 94 10.786 5.513 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 94 10.857 3.266 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 94 13.234 4.631 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.012 4.482 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.537 2.811 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.078 2.316 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.791 2.766 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.630 1.721 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.149 2.965 -6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.409 2.160 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.876 3.857 -5.464 1.00 0.00 H new ATOM 1438 N ASP A 95 12.382 5.916 -2.153 1.00 0.00 N ATOM 1439 CA ASP A 95 12.993 6.489 -0.962 1.00 0.00 C ATOM 1440 C ASP A 95 11.971 6.561 0.166 1.00 0.00 C ATOM 1441 O ASP A 95 12.321 6.491 1.345 1.00 0.00 O ATOM 1442 CB ASP A 95 13.544 7.885 -1.263 1.00 0.00 C ATOM 1443 CG ASP A 95 15.008 7.857 -1.655 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.358 7.107 -2.591 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.806 8.585 -1.027 1.00 0.00 O ATOM 0 H ASP A 95 12.179 6.590 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 95 13.819 5.849 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.964 8.336 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.418 8.519 -0.386 1.00 0.00 H new ATOM 1450 N ARG A 96 10.700 6.690 -0.208 1.00 0.00 N ATOM 1451 CA ARG A 96 9.616 6.758 0.762 1.00 0.00 C ATOM 1452 C ARG A 96 9.444 5.414 1.462 1.00 0.00 C ATOM 1453 O ARG A 96 9.207 5.356 2.669 1.00 0.00 O ATOM 1454 CB ARG A 96 8.313 7.166 0.072 1.00 0.00 C ATOM 1455 CG ARG A 96 8.384 8.524 -0.609 1.00 0.00 C ATOM 1456 CD ARG A 96 7.549 9.566 0.120 1.00 0.00 C ATOM 1457 NE ARG A 96 6.556 10.183 -0.757 1.00 0.00 N ATOM 1458 CZ ARG A 96 6.852 11.070 -1.703 1.00 0.00 C ATOM 1459 NH1 ARG A 96 8.109 11.449 -1.898 1.00 0.00 N ATOM 1460 NH2 ARG A 96 5.889 11.581 -2.459 1.00 0.00 N ATOM 0 H ARG A 96 10.397 6.749 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 96 9.866 7.510 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.052 6.410 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.510 7.180 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.422 8.855 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.035 8.433 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.045 9.099 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.204 10.337 0.525 1.00 0.00 H new ATOM 0 HE ARG A 96 5.578 9.918 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.854 11.060 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.330 12.130 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.921 11.294 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.117 12.261 -3.184 1.00 0.00 H new ATOM 1474 N LEU A 97 9.583 4.333 0.698 1.00 0.00 N ATOM 1475 CA LEU A 97 9.461 2.987 1.247 1.00 0.00 C ATOM 1476 C LEU A 97 10.512 2.769 2.327 1.00 0.00 C ATOM 1477 O LEU A 97 10.202 2.329 3.432 1.00 0.00 O ATOM 1478 CB LEU A 97 9.620 1.939 0.143 1.00 0.00 C ATOM 1479 CG LEU A 97 8.362 1.667 -0.688 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.152 1.468 0.213 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.117 2.803 -1.669 1.00 0.00 C ATOM 0 H LEU A 97 9.780 4.364 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 97 8.469 2.880 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.416 2.260 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.945 1.003 0.597 1.00 0.00 H new ATOM 0 HG LEU A 97 8.518 0.749 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.270 1.276 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.326 0.619 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.991 2.366 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.220 2.594 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.984 3.735 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.971 2.895 -2.340 1.00 0.00 H new ATOM 1493 N CYS A 98 11.757 3.094 1.996 1.00 0.00 N ATOM 1494 CA CYS A 98 12.861 2.949 2.934 1.00 0.00 C ATOM 1495 C CYS A 98 12.686 3.892 4.119 1.00 0.00 C ATOM 1496 O CYS A 98 13.179 3.626 5.215 1.00 0.00 O ATOM 1497 CB CYS A 98 14.188 3.226 2.229 1.00 0.00 C ATOM 1498 SG CYS A 98 15.629 2.513 3.056 1.00 0.00 S ATOM 0 H CYS A 98 12.026 3.460 1.083 1.00 0.00 H new ATOM 0 HA CYS A 98 12.866 1.925 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.136 2.835 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.326 4.304 2.149 1.00 0.00 H new ATOM 0 HG CYS A 98 16.703 2.801 2.382 1.00 0.00 H new ATOM 1504 N GLN A 99 11.974 4.991 3.892 1.00 0.00 N ATOM 1505 CA GLN A 99 11.725 5.968 4.942 1.00 0.00 C ATOM 1506 C GLN A 99 10.705 5.429 5.940 1.00 0.00 C ATOM 1507 O GLN A 99 10.906 5.509 7.151 1.00 0.00 O ATOM 1508 CB GLN A 99 11.228 7.283 4.338 1.00 0.00 C ATOM 1509 CG GLN A 99 12.291 8.369 4.286 1.00 0.00 C ATOM 1510 CD GLN A 99 12.336 9.079 2.948 1.00 0.00 C ATOM 1511 OE1 GLN A 99 11.364 9.712 2.536 1.00 0.00 O ATOM 1512 NE2 GLN A 99 13.468 8.977 2.261 1.00 0.00 N ATOM 0 H GLN A 99 11.560 5.226 2.990 1.00 0.00 H new ATOM 0 HA GLN A 99 12.661 6.156 5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.863 7.094 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.380 7.643 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.099 9.098 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.266 7.927 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.249 8.442 2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.557 9.434 1.353 1.00 0.00 H new ATOM 1521 N ASP A 100 9.611 4.878 5.422 1.00 0.00 N ATOM 1522 CA ASP A 100 8.561 4.324 6.268 1.00 0.00 C ATOM 1523 C ASP A 100 8.935 2.930 6.766 1.00 0.00 C ATOM 1524 O ASP A 100 8.494 2.503 7.833 1.00 0.00 O ATOM 1525 CB ASP A 100 7.239 4.274 5.498 1.00 0.00 C ATOM 1526 CG ASP A 100 7.251 3.253 4.376 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.446 2.054 4.664 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.061 3.653 3.208 1.00 0.00 O ATOM 0 H ASP A 100 9.429 4.804 4.421 1.00 0.00 H new ATOM 0 HA ASP A 100 8.445 4.973 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.430 4.038 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.027 5.260 5.084 1.00 0.00 H new ATOM 1533 N LEU A 101 9.742 2.224 5.982 1.00 0.00 N ATOM 1534 CA LEU A 101 10.168 0.876 6.338 1.00 0.00 C ATOM 1535 C LEU A 101 11.228 0.901 7.433 1.00 0.00 C ATOM 1536 O LEU A 101 11.318 -0.022 8.242 1.00 0.00 O ATOM 1537 CB LEU A 101 10.703 0.145 5.106 1.00 0.00 C ATOM 1538 CG LEU A 101 9.627 -0.393 4.160 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.253 -1.166 3.011 1.00 0.00 C ATOM 1540 CD2 LEU A 101 8.649 -1.270 4.925 1.00 0.00 C ATOM 0 H LEU A 101 10.115 2.563 5.095 1.00 0.00 H new ATOM 0 HA LEU A 101 9.299 0.341 6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.349 0.825 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.325 -0.687 5.436 1.00 0.00 H new ATOM 0 HG LEU A 101 9.084 0.453 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.468 -1.538 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.917 -0.509 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.824 -2.006 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.888 -1.647 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.184 -2.108 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.173 -0.684 5.711 1.00 0.00 H new ATOM 1552 N ARG A 102 12.030 1.960 7.458 1.00 0.00 N ATOM 1553 CA ARG A 102 13.081 2.094 8.459 1.00 0.00 C ATOM 1554 C ARG A 102 12.510 2.609 9.776 1.00 0.00 C ATOM 1555 O ARG A 102 13.008 2.278 10.852 1.00 0.00 O ATOM 1556 CB ARG A 102 14.176 3.039 7.959 1.00 0.00 C ATOM 1557 CG ARG A 102 15.215 2.356 7.084 1.00 0.00 C ATOM 1558 CD ARG A 102 16.370 3.289 6.753 1.00 0.00 C ATOM 1559 NE ARG A 102 15.918 4.512 6.091 1.00 0.00 N ATOM 1560 CZ ARG A 102 15.628 5.644 6.731 1.00 0.00 C ATOM 1561 NH1 ARG A 102 15.720 5.715 8.054 1.00 0.00 N ATOM 1562 NH2 ARG A 102 15.239 6.710 6.045 1.00 0.00 N ATOM 0 H ARG A 102 11.972 2.736 6.798 1.00 0.00 H new ATOM 0 HA ARG A 102 13.515 1.109 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.715 3.850 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.675 3.490 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.596 1.471 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.746 2.015 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.900 3.548 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.081 2.771 6.110 1.00 0.00 H new ATOM 0 HE ARG A 102 15.819 4.498 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.015 4.898 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.496 6.586 8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.162 6.663 5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.017 7.577 6.533 1.00 0.00 H new ATOM 1576 N ASN A 103 11.460 3.419 9.682 1.00 0.00 N ATOM 1577 CA ASN A 103 10.818 3.980 10.865 1.00 0.00 C ATOM 1578 C ASN A 103 10.001 2.920 11.598 1.00 0.00 C ATOM 1579 O ASN A 103 9.777 3.020 12.804 1.00 0.00 O ATOM 1580 CB ASN A 103 9.915 5.151 10.474 1.00 0.00 C ATOM 1581 CG ASN A 103 10.689 6.304 9.869 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.861 6.514 10.182 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.036 7.061 8.994 1.00 0.00 N ATOM 0 H ASN A 103 11.036 3.701 8.798 1.00 0.00 H new ATOM 0 HA ASN A 103 11.600 4.338 11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.167 4.806 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.378 5.501 11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.506 7.852 8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.065 6.851 8.763 1.00 0.00 H new ATOM 1590 N GLN A 104 9.550 1.908 10.861 1.00 0.00 N ATOM 1591 CA GLN A 104 8.753 0.836 11.445 1.00 0.00 C ATOM 1592 C GLN A 104 7.449 1.389 12.008 1.00 0.00 C ATOM 1593 O GLN A 104 6.964 0.935 13.045 1.00 0.00 O ATOM 1594 CB GLN A 104 9.540 0.125 12.548 1.00 0.00 C ATOM 1595 CG GLN A 104 10.848 -0.481 12.067 1.00 0.00 C ATOM 1596 CD GLN A 104 11.700 -1.005 13.207 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.340 -1.976 13.872 1.00 0.00 O ATOM 1598 NE2 GLN A 104 12.838 -0.361 13.439 1.00 0.00 N ATOM 0 H GLN A 104 9.723 1.809 9.861 1.00 0.00 H new ATOM 0 HA GLN A 104 8.519 0.116 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.750 0.835 13.348 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.920 -0.663 12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.634 -1.295 11.374 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.411 0.270 11.513 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.098 0.440 12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 104 13.453 -0.667 14.193 1.00 0.00 H new ATOM 1607 N LEU A 105 6.891 2.379 11.319 1.00 0.00 N ATOM 1608 CA LEU A 105 5.646 3.006 11.745 1.00 0.00 C ATOM 1609 C LEU A 105 4.523 1.982 11.857 1.00 0.00 C ATOM 1610 O LEU A 105 3.747 2.006 12.810 1.00 0.00 O ATOM 1611 CB LEU A 105 5.252 4.115 10.767 1.00 0.00 C ATOM 1612 CG LEU A 105 6.327 5.178 10.545 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.182 5.806 9.169 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.254 6.238 11.633 1.00 0.00 C ATOM 0 H LEU A 105 7.283 2.765 10.460 1.00 0.00 H new ATOM 0 HA LEU A 105 5.807 3.440 12.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.003 3.663 9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.349 4.602 11.135 1.00 0.00 H new ATOM 0 HG LEU A 105 7.305 4.699 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.956 6.560 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.284 5.036 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.201 6.273 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.026 6.989 11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.274 6.714 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.410 5.772 12.606 1.00 0.00 H new ATOM 1626 N TYR A 106 4.438 1.086 10.882 1.00 0.00 N ATOM 1627 CA TYR A 106 3.398 0.063 10.882 1.00 0.00 C ATOM 1628 C TYR A 106 4.002 -1.340 10.951 1.00 0.00 C ATOM 1629 O TYR A 106 5.192 -1.527 10.698 1.00 0.00 O ATOM 1630 CB TYR A 106 2.519 0.210 9.641 1.00 0.00 C ATOM 1631 CG TYR A 106 2.092 1.640 9.381 1.00 0.00 C ATOM 1632 CD1 TYR A 106 2.988 2.569 8.871 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.796 2.062 9.654 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.607 3.876 8.638 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.409 3.371 9.421 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.319 4.273 8.913 1.00 0.00 C ATOM 1637 OH TYR A 106 0.939 5.575 8.676 1.00 0.00 O ATOM 0 H TYR A 106 5.073 1.046 10.085 1.00 0.00 H new ATOM 0 HA TYR A 106 2.781 0.202 11.770 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.061 -0.165 8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.632 -0.413 9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.001 2.265 8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.080 1.359 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.319 4.585 8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.602 3.684 9.636 1.00 0.00 H new ATOM 0 HH TYR A 106 1.459 5.937 7.928 1.00 0.00 H new ATOM 1647 N GLU A 107 3.175 -2.319 11.312 1.00 0.00 N ATOM 1648 CA GLU A 107 3.626 -3.703 11.434 1.00 0.00 C ATOM 1649 C GLU A 107 3.946 -4.314 10.073 1.00 0.00 C ATOM 1650 O GLU A 107 4.998 -4.926 9.889 1.00 0.00 O ATOM 1651 CB GLU A 107 2.557 -4.547 12.135 1.00 0.00 C ATOM 1652 CG GLU A 107 3.108 -5.427 13.245 1.00 0.00 C ATOM 1653 CD GLU A 107 3.886 -6.616 12.715 1.00 0.00 C ATOM 1654 OE1 GLU A 107 3.285 -7.451 12.007 1.00 0.00 O ATOM 1655 OE2 GLU A 107 5.095 -6.714 13.011 1.00 0.00 O ATOM 0 H GLU A 107 2.187 -2.179 11.525 1.00 0.00 H new ATOM 0 HA GLU A 107 4.540 -3.698 12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.798 -3.884 12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.061 -5.176 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.756 -4.831 13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.284 -5.783 13.864 1.00 0.00 H new ATOM 1662 N SER A 108 3.028 -4.156 9.127 1.00 0.00 N ATOM 1663 CA SER A 108 3.210 -4.704 7.787 1.00 0.00 C ATOM 1664 C SER A 108 3.377 -3.592 6.761 1.00 0.00 C ATOM 1665 O SER A 108 3.364 -2.411 7.103 1.00 0.00 O ATOM 1666 CB SER A 108 2.020 -5.588 7.410 1.00 0.00 C ATOM 1667 OG SER A 108 2.399 -6.580 6.471 1.00 0.00 O ATOM 0 H SER A 108 2.151 -3.654 9.262 1.00 0.00 H new ATOM 0 HA SER A 108 4.117 -5.308 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.619 -6.064 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.224 -4.972 6.992 1.00 0.00 H new ATOM 0 HG SER A 108 1.621 -7.133 6.247 1.00 0.00 H new ATOM 1673 N TYR A 109 3.535 -3.980 5.500 1.00 0.00 N ATOM 1674 CA TYR A 109 3.707 -3.012 4.426 1.00 0.00 C ATOM 1675 C TYR A 109 3.272 -3.587 3.080 1.00 0.00 C ATOM 1676 O TYR A 109 4.091 -3.779 2.180 1.00 0.00 O ATOM 1677 CB TYR A 109 5.164 -2.556 4.357 1.00 0.00 C ATOM 1678 CG TYR A 109 5.624 -1.819 5.595 1.00 0.00 C ATOM 1679 CD1 TYR A 109 5.364 -0.465 5.756 1.00 0.00 C ATOM 1680 CD2 TYR A 109 6.317 -2.480 6.602 1.00 0.00 C ATOM 1681 CE1 TYR A 109 5.782 0.213 6.886 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.738 -1.810 7.735 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.469 -0.464 7.872 1.00 0.00 C ATOM 1684 OH TYR A 109 6.886 0.206 8.998 1.00 0.00 O ATOM 0 H TYR A 109 3.547 -4.954 5.199 1.00 0.00 H new ATOM 0 HA TYR A 109 3.071 -2.154 4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.802 -3.426 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.293 -1.909 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.826 0.068 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.530 -3.534 6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.572 1.267 6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.275 -2.338 8.509 1.00 0.00 H new ATOM 0 HH TYR A 109 7.425 0.981 8.736 1.00 0.00 H new ATOM 1694 N TYR A 110 1.974 -3.840 2.942 1.00 0.00 N ATOM 1695 CA TYR A 110 1.424 -4.367 1.699 1.00 0.00 C ATOM 1696 C TYR A 110 1.680 -3.368 0.571 1.00 0.00 C ATOM 1697 O TYR A 110 0.866 -2.483 0.313 1.00 0.00 O ATOM 1698 CB TYR A 110 -0.077 -4.624 1.872 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.695 -5.498 0.802 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.673 -5.122 -0.534 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.315 -6.697 1.136 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.248 -5.917 -1.508 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.892 -7.497 0.167 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.856 -7.102 -1.152 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.429 -7.895 -2.121 1.00 0.00 O ATOM 0 H TYR A 110 1.283 -3.688 3.677 1.00 0.00 H new ATOM 0 HA TYR A 110 1.908 -5.310 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.243 -5.090 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.597 -3.666 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.199 -4.194 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.346 -7.009 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.221 -5.611 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.368 -8.426 0.443 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.814 -8.694 -1.704 1.00 0.00 H new ATOM 1715 N LEU A 111 2.837 -3.501 -0.073 1.00 0.00 N ATOM 1716 CA LEU A 111 3.236 -2.593 -1.146 1.00 0.00 C ATOM 1717 C LEU A 111 2.474 -2.857 -2.440 1.00 0.00 C ATOM 1718 O LEU A 111 2.065 -3.984 -2.720 1.00 0.00 O ATOM 1719 CB LEU A 111 4.745 -2.701 -1.395 1.00 0.00 C ATOM 1720 CG LEU A 111 5.628 -2.419 -0.177 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.099 -2.414 -0.563 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.249 -1.097 0.459 1.00 0.00 C ATOM 0 H LEU A 111 3.518 -4.233 0.131 1.00 0.00 H new ATOM 0 HA LEU A 111 2.989 -1.582 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.966 -3.704 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.017 -2.006 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 111 5.466 -3.216 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.706 -2.211 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.370 -3.386 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.276 -1.641 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.887 -0.913 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.380 -0.294 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.207 -1.132 0.778 1.00 0.00 H new ATOM 1734 N ASN A 112 2.299 -1.797 -3.223 1.00 0.00 N ATOM 1735 CA ASN A 112 1.598 -1.874 -4.500 1.00 0.00 C ATOM 1736 C ASN A 112 2.125 -0.801 -5.450 1.00 0.00 C ATOM 1737 O ASN A 112 2.165 0.379 -5.102 1.00 0.00 O ATOM 1738 CB ASN A 112 0.091 -1.703 -4.292 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.709 -2.791 -4.977 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.349 -3.095 -6.216 1.00 0.00 O flip ATOM 1741 ND2 ASN A 112 -1.638 -3.354 -4.398 1.00 0.00 N flip ATOM 0 H ASN A 112 2.638 -0.863 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 112 1.778 -2.855 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.130 -1.710 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.219 -0.731 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.880 -3.088 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.165 -4.087 -4.873 1.00 0.00 H new ATOM 1748 N PHE A 113 2.546 -1.215 -6.641 1.00 0.00 N ATOM 1749 CA PHE A 113 3.088 -0.278 -7.622 1.00 0.00 C ATOM 1750 C PHE A 113 2.139 -0.079 -8.802 1.00 0.00 C ATOM 1751 O PHE A 113 1.703 -1.042 -9.430 1.00 0.00 O ATOM 1752 CB PHE A 113 4.451 -0.766 -8.116 1.00 0.00 C ATOM 1753 CG PHE A 113 5.547 -0.611 -7.097 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.786 0.616 -6.500 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.336 -1.691 -6.735 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.791 0.764 -5.562 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.343 -1.550 -5.798 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.571 -0.320 -5.210 1.00 0.00 C ATOM 0 H PHE A 113 2.523 -2.187 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 113 3.206 0.687 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.372 -1.816 -8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.722 -0.214 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.180 1.468 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.162 -2.655 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.966 1.727 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 113 7.951 -2.400 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.357 -0.207 -4.478 1.00 0.00 H new ATOM 1768 N ILE A 114 1.833 1.186 -9.106 1.00 0.00 N ATOM 1769 CA ILE A 114 0.940 1.505 -10.227 1.00 0.00 C ATOM 1770 C ILE A 114 1.619 1.198 -11.561 1.00 0.00 C ATOM 1771 O ILE A 114 0.986 0.705 -12.491 1.00 0.00 O ATOM 1772 CB ILE A 114 0.461 2.990 -10.257 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.149 3.847 -9.185 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -1.055 3.071 -10.117 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.576 3.678 -7.796 1.00 0.00 C ATOM 0 H ILE A 114 2.185 1.998 -8.599 1.00 0.00 H new ATOM 0 HA ILE A 114 0.062 0.877 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 114 0.748 3.398 -11.226 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.210 3.597 -9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.075 4.896 -9.471 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.367 4.115 -10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.526 2.533 -10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.357 2.623 -9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.117 4.317 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.478 3.957 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.675 2.638 -7.486 1.00 0.00 H new ATOM 1787 N SER A 115 2.910 1.499 -11.649 1.00 0.00 N ATOM 1788 CA SER A 115 3.669 1.261 -12.870 1.00 0.00 C ATOM 1789 C SER A 115 4.542 0.017 -12.738 1.00 0.00 C ATOM 1790 O SER A 115 4.504 -0.676 -11.720 1.00 0.00 O ATOM 1791 CB SER A 115 4.537 2.476 -13.199 1.00 0.00 C ATOM 1792 OG SER A 115 4.683 2.635 -14.599 1.00 0.00 O ATOM 0 H SER A 115 3.453 1.909 -10.888 1.00 0.00 H new ATOM 0 HA SER A 115 2.960 1.098 -13.682 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.088 3.373 -12.773 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.518 2.361 -12.739 1.00 0.00 H new ATOM 0 HG SER A 115 5.241 3.420 -14.783 1.00 0.00 H new ATOM 1798 N ALA A 116 5.327 -0.262 -13.774 1.00 0.00 N ATOM 1799 CA ALA A 116 6.208 -1.422 -13.775 1.00 0.00 C ATOM 1800 C ALA A 116 7.590 -1.069 -13.233 1.00 0.00 C ATOM 1801 O ALA A 116 8.392 -0.432 -13.915 1.00 0.00 O ATOM 1802 CB ALA A 116 6.321 -1.996 -15.181 1.00 0.00 C ATOM 0 H ALA A 116 5.370 0.301 -14.624 1.00 0.00 H new ATOM 0 HA ALA A 116 5.774 -2.176 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.982 -2.862 -15.168 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.334 -2.298 -15.531 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.728 -1.239 -15.851 1.00 0.00 H new ATOM 1808 N ILE A 117 7.862 -1.491 -12.002 1.00 0.00 N ATOM 1809 CA ILE A 117 9.147 -1.226 -11.368 1.00 0.00 C ATOM 1810 C ILE A 117 10.228 -2.147 -11.932 1.00 0.00 C ATOM 1811 O ILE A 117 9.925 -3.176 -12.535 1.00 0.00 O ATOM 1812 CB ILE A 117 9.058 -1.403 -9.838 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.409 -1.103 -9.179 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.584 -2.806 -9.498 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.327 -0.897 -7.681 1.00 0.00 C ATOM 0 H ILE A 117 7.208 -2.019 -11.424 1.00 0.00 H new ATOM 0 HA ILE A 117 9.414 -0.191 -11.584 1.00 0.00 H new ATOM 0 HB ILE A 117 8.331 -0.692 -9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.094 -1.925 -9.386 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.835 -0.210 -9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.525 -2.918 -8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.599 -2.973 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.287 -3.535 -9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.322 -0.689 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.668 -0.056 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.931 -1.797 -7.211 1.00 0.00 H new ATOM 1827 N SER A 118 11.489 -1.767 -11.741 1.00 0.00 N ATOM 1828 CA SER A 118 12.609 -2.557 -12.242 1.00 0.00 C ATOM 1829 C SER A 118 13.286 -3.337 -11.117 1.00 0.00 C ATOM 1830 O SER A 118 13.183 -2.973 -9.946 1.00 0.00 O ATOM 1831 CB SER A 118 13.629 -1.650 -12.933 1.00 0.00 C ATOM 1832 OG SER A 118 14.473 -1.018 -11.987 1.00 0.00 O ATOM 0 H SER A 118 11.760 -0.919 -11.244 1.00 0.00 H new ATOM 0 HA SER A 118 12.216 -3.273 -12.964 1.00 0.00 H new ATOM 0 HB2 SER A 118 14.231 -2.237 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.109 -0.895 -13.522 1.00 0.00 H new ATOM 0 HG SER A 118 15.117 -0.445 -12.454 1.00 0.00 H new ATOM 1838 N ARG A 119 13.981 -4.410 -11.485 1.00 0.00 N ATOM 1839 CA ARG A 119 14.679 -5.247 -10.514 1.00 0.00 C ATOM 1840 C ARG A 119 15.558 -4.405 -9.597 1.00 0.00 C ATOM 1841 O ARG A 119 15.658 -4.671 -8.399 1.00 0.00 O ATOM 1842 CB ARG A 119 15.532 -6.295 -11.234 1.00 0.00 C ATOM 1843 CG ARG A 119 14.717 -7.409 -11.871 1.00 0.00 C ATOM 1844 CD ARG A 119 14.085 -8.313 -10.822 1.00 0.00 C ATOM 1845 NE ARG A 119 14.511 -9.703 -10.970 1.00 0.00 N ATOM 1846 CZ ARG A 119 15.625 -10.200 -10.439 1.00 0.00 C ATOM 1847 NH1 ARG A 119 16.432 -9.428 -9.721 1.00 0.00 N ATOM 1848 NH2 ARG A 119 15.935 -11.477 -10.626 1.00 0.00 N ATOM 0 H ARG A 119 14.076 -4.721 -12.452 1.00 0.00 H new ATOM 0 HA ARG A 119 13.930 -5.751 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 119 16.124 -5.802 -12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 119 16.234 -6.731 -10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 119 13.936 -6.977 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 119 15.358 -8.002 -12.524 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.352 -7.956 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 119 12.999 -8.256 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 119 13.918 -10.330 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 119 16.200 -8.446 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 119 17.284 -9.817 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 119 15.319 -12.076 -11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 119 16.789 -11.859 -10.219 1.00 0.00 H new ATOM 1862 N SER A 120 16.192 -3.386 -10.167 1.00 0.00 N ATOM 1863 CA SER A 120 17.059 -2.503 -9.398 1.00 0.00 C ATOM 1864 C SER A 120 16.252 -1.719 -8.368 1.00 0.00 C ATOM 1865 O SER A 120 16.596 -1.687 -7.187 1.00 0.00 O ATOM 1866 CB SER A 120 17.795 -1.538 -10.329 1.00 0.00 C ATOM 1867 OG SER A 120 18.909 -0.951 -9.679 1.00 0.00 O ATOM 0 H SER A 120 16.122 -3.152 -11.157 1.00 0.00 H new ATOM 0 HA SER A 120 17.791 -3.116 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.129 -2.071 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 120 17.112 -0.757 -10.662 1.00 0.00 H new ATOM 0 HG SER A 120 19.363 -0.340 -10.296 1.00 0.00 H new ATOM 1873 N LYS A 121 15.172 -1.094 -8.826 1.00 0.00 N ATOM 1874 CA LYS A 121 14.311 -0.315 -7.946 1.00 0.00 C ATOM 1875 C LYS A 121 13.647 -1.212 -6.909 1.00 0.00 C ATOM 1876 O LYS A 121 13.507 -0.834 -5.745 1.00 0.00 O ATOM 1877 CB LYS A 121 13.248 0.423 -8.761 1.00 0.00 C ATOM 1878 CG LYS A 121 13.792 1.615 -9.533 1.00 0.00 C ATOM 1879 CD LYS A 121 13.141 1.738 -10.900 1.00 0.00 C ATOM 1880 CE LYS A 121 11.883 2.590 -10.843 1.00 0.00 C ATOM 1881 NZ LYS A 121 11.316 2.836 -12.197 1.00 0.00 N ATOM 0 H LYS A 121 14.873 -1.112 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 121 14.928 0.417 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.790 -0.275 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.460 0.764 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.619 2.528 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.871 1.512 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.848 2.178 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.893 0.746 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.137 2.094 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.112 3.543 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.460 3.420 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.018 3.332 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.073 1.928 -12.642 1.00 0.00 H new ATOM 1895 N LEU A 122 13.243 -2.405 -7.334 1.00 0.00 N ATOM 1896 CA LEU A 122 12.600 -3.356 -6.437 1.00 0.00 C ATOM 1897 C LEU A 122 13.532 -3.726 -5.293 1.00 0.00 C ATOM 1898 O LEU A 122 13.168 -3.621 -4.121 1.00 0.00 O ATOM 1899 CB LEU A 122 12.182 -4.609 -7.197 1.00 0.00 C ATOM 1900 CG LEU A 122 10.875 -4.470 -7.975 1.00 0.00 C ATOM 1901 CD1 LEU A 122 11.104 -4.721 -9.453 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.816 -5.412 -7.426 1.00 0.00 C ATOM 0 H LEU A 122 13.350 -2.735 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 122 11.709 -2.884 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.977 -4.880 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.083 -5.432 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 122 10.514 -3.449 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 122 10.161 -4.617 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.822 -3.997 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.493 -5.729 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.894 -5.295 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.166 -6.441 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.627 -5.177 -6.379 1.00 0.00 H new ATOM 1914 N GLU A 123 14.744 -4.150 -5.640 1.00 0.00 N ATOM 1915 CA GLU A 123 15.736 -4.523 -4.637 1.00 0.00 C ATOM 1916 C GLU A 123 15.869 -3.422 -3.594 1.00 0.00 C ATOM 1917 O GLU A 123 16.134 -3.687 -2.422 1.00 0.00 O ATOM 1918 CB GLU A 123 17.090 -4.788 -5.299 1.00 0.00 C ATOM 1919 CG GLU A 123 17.348 -6.258 -5.582 1.00 0.00 C ATOM 1920 CD GLU A 123 18.515 -6.474 -6.526 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.651 -6.103 -6.162 1.00 0.00 O ATOM 1922 OE2 GLU A 123 18.293 -7.015 -7.630 1.00 0.00 O ATOM 0 H GLU A 123 15.062 -4.244 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 123 15.404 -5.437 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.143 -4.231 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.882 -4.406 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.544 -6.776 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.451 -6.705 -6.011 1.00 0.00 H new ATOM 1929 N ASP A 124 15.670 -2.182 -4.033 1.00 0.00 N ATOM 1930 CA ASP A 124 15.754 -1.036 -3.139 1.00 0.00 C ATOM 1931 C ASP A 124 14.656 -1.106 -2.083 1.00 0.00 C ATOM 1932 O ASP A 124 14.939 -1.133 -0.886 1.00 0.00 O ATOM 1933 CB ASP A 124 15.640 0.266 -3.933 1.00 0.00 C ATOM 1934 CG ASP A 124 16.215 1.451 -3.183 1.00 0.00 C ATOM 1935 OD1 ASP A 124 15.661 1.810 -2.123 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.221 2.022 -3.656 1.00 0.00 O ATOM 0 H ASP A 124 15.450 -1.948 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 124 16.722 -1.057 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.159 0.155 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.592 0.458 -4.162 1.00 0.00 H new ATOM 1941 N ILE A 125 13.402 -1.143 -2.531 1.00 0.00 N ATOM 1942 CA ILE A 125 12.273 -1.222 -1.611 1.00 0.00 C ATOM 1943 C ILE A 125 12.347 -2.503 -0.786 1.00 0.00 C ATOM 1944 O ILE A 125 12.144 -2.482 0.429 1.00 0.00 O ATOM 1945 CB ILE A 125 10.920 -1.165 -2.350 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.737 0.195 -3.016 1.00 0.00 C ATOM 1947 CG2 ILE A 125 9.775 -1.436 -1.388 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.074 0.192 -4.485 1.00 0.00 C ATOM 0 H ILE A 125 13.145 -1.120 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 125 12.336 -0.356 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 125 10.916 -1.936 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.704 0.518 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.365 0.927 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.829 -1.392 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.896 -2.426 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.778 -0.685 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.922 1.190 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.116 -0.100 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.429 -0.516 -5.005 1.00 0.00 H new ATOM 1960 N ALA A 126 12.657 -3.618 -1.444 1.00 0.00 N ATOM 1961 CA ALA A 126 12.773 -4.890 -0.747 1.00 0.00 C ATOM 1962 C ALA A 126 13.785 -4.758 0.376 1.00 0.00 C ATOM 1963 O ALA A 126 13.599 -5.297 1.466 1.00 0.00 O ATOM 1964 CB ALA A 126 13.183 -5.998 -1.706 1.00 0.00 C ATOM 0 H ALA A 126 12.830 -3.664 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 126 11.802 -5.154 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.263 -6.939 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.433 -6.096 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.147 -5.754 -2.153 1.00 0.00 H new ATOM 1970 N ASN A 127 14.850 -4.013 0.098 1.00 0.00 N ATOM 1971 CA ASN A 127 15.893 -3.777 1.078 1.00 0.00 C ATOM 1972 C ASN A 127 15.457 -2.701 2.056 1.00 0.00 C ATOM 1973 O ASN A 127 15.844 -2.721 3.224 1.00 0.00 O ATOM 1974 CB ASN A 127 17.199 -3.374 0.392 1.00 0.00 C ATOM 1975 CG ASN A 127 18.066 -4.571 0.049 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.047 -4.857 0.734 1.00 0.00 O ATOM 1977 ND2 ASN A 127 17.704 -5.277 -1.016 1.00 0.00 N ATOM 0 H ASN A 127 15.010 -3.563 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 127 16.067 -4.703 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 127 16.972 -2.821 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 127 17.756 -2.701 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.247 -6.094 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 127 16.882 -5.003 -1.555 1.00 0.00 H new ATOM 1984 N ALA A 128 14.629 -1.771 1.585 1.00 0.00 N ATOM 1985 CA ALA A 128 14.130 -0.708 2.444 1.00 0.00 C ATOM 1986 C ALA A 128 13.557 -1.301 3.727 1.00 0.00 C ATOM 1987 O ALA A 128 13.596 -0.679 4.789 1.00 0.00 O ATOM 1988 CB ALA A 128 13.074 0.107 1.714 1.00 0.00 C ATOM 0 H ALA A 128 14.294 -1.734 0.622 1.00 0.00 H new ATOM 0 HA ALA A 128 14.956 -0.046 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.709 0.899 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.510 0.549 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.245 -0.542 1.432 1.00 0.00 H new ATOM 1994 N ALA A 129 13.028 -2.516 3.609 1.00 0.00 N ATOM 1995 CA ALA A 129 12.445 -3.219 4.742 1.00 0.00 C ATOM 1996 C ALA A 129 13.506 -4.000 5.502 1.00 0.00 C ATOM 1997 O ALA A 129 13.533 -3.994 6.731 1.00 0.00 O ATOM 1998 CB ALA A 129 11.340 -4.152 4.271 1.00 0.00 C ATOM 0 H ALA A 129 12.993 -3.035 2.732 1.00 0.00 H new ATOM 0 HA ALA A 129 12.018 -2.479 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.912 -4.672 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 129 10.562 -3.573 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.752 -4.881 3.573 1.00 0.00 H new ATOM 2004 N LEU A 130 14.379 -4.673 4.759 1.00 0.00 N ATOM 2005 CA LEU A 130 15.447 -5.469 5.352 1.00 0.00 C ATOM 2006 C LEU A 130 16.207 -4.671 6.407 1.00 0.00 C ATOM 2007 O LEU A 130 16.724 -5.235 7.371 1.00 0.00 O ATOM 2008 CB LEU A 130 16.399 -5.956 4.260 1.00 0.00 C ATOM 2009 CG LEU A 130 15.742 -6.817 3.181 1.00 0.00 C ATOM 2010 CD1 LEU A 130 16.685 -7.026 2.004 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.298 -8.152 3.760 1.00 0.00 C ATOM 0 H LEU A 130 14.367 -4.682 3.739 1.00 0.00 H new ATOM 0 HA LEU A 130 15.000 -6.332 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 130 16.859 -5.090 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.202 -6.529 4.725 1.00 0.00 H new ATOM 0 HG LEU A 130 14.860 -6.291 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.195 -7.642 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 130 16.946 -6.060 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.591 -7.526 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.833 -8.751 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.164 -8.682 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.579 -7.980 4.561 1.00 0.00 H new ATOM 2023 N ALA A 131 16.260 -3.356 6.225 1.00 0.00 N ATOM 2024 CA ALA A 131 16.945 -2.486 7.173 1.00 0.00 C ATOM 2025 C ALA A 131 16.268 -2.552 8.538 1.00 0.00 C ATOM 2026 O ALA A 131 16.918 -2.421 9.575 1.00 0.00 O ATOM 2027 CB ALA A 131 16.968 -1.054 6.659 1.00 0.00 C ATOM 0 H ALA A 131 15.839 -2.871 5.433 1.00 0.00 H new ATOM 0 HA ALA A 131 17.974 -2.830 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 131 17.483 -0.417 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 131 17.491 -1.019 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 131 15.946 -0.699 6.526 1.00 0.00 H new ATOM 2033 N ALA A 132 14.957 -2.766 8.522 1.00 0.00 N ATOM 2034 CA ALA A 132 14.174 -2.864 9.749 1.00 0.00 C ATOM 2035 C ALA A 132 13.557 -4.255 9.898 1.00 0.00 C ATOM 2036 O ALA A 132 12.863 -4.534 10.876 1.00 0.00 O ATOM 2037 CB ALA A 132 13.087 -1.801 9.759 1.00 0.00 C ATOM 0 H ALA A 132 14.411 -2.876 7.667 1.00 0.00 H new ATOM 0 HA ALA A 132 14.842 -2.699 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 132 12.508 -1.882 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 132 13.544 -0.813 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.429 -1.945 8.902 1.00 0.00 H new ATOM 2043 N ASN A 133 13.810 -5.120 8.918 1.00 0.00 N ATOM 2044 CA ASN A 133 13.278 -6.477 8.929 1.00 0.00 C ATOM 2045 C ASN A 133 11.756 -6.465 9.023 1.00 0.00 C ATOM 2046 O ASN A 133 11.151 -7.376 9.589 1.00 0.00 O ATOM 2047 CB ASN A 133 13.868 -7.273 10.091 1.00 0.00 C ATOM 2048 CG ASN A 133 15.112 -8.044 9.692 1.00 0.00 C ATOM 2049 OD1 ASN A 133 15.025 -9.122 9.103 1.00 0.00 O ATOM 2050 ND2 ASN A 133 16.277 -7.494 10.013 1.00 0.00 N ATOM 0 H ASN A 133 14.383 -4.902 8.103 1.00 0.00 H new ATOM 0 HA ASN A 133 13.562 -6.957 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 133 14.112 -6.593 10.907 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.119 -7.968 10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 133 17.148 -7.967 9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.301 -6.599 10.501 1.00 0.00 H new ATOM 2057 N ALA A 134 11.144 -5.429 8.459 1.00 0.00 N ATOM 2058 CA ALA A 134 9.693 -5.299 8.475 1.00 0.00 C ATOM 2059 C ALA A 134 9.055 -6.169 7.398 1.00 0.00 C ATOM 2060 O ALA A 134 9.619 -6.351 6.320 1.00 0.00 O ATOM 2061 CB ALA A 134 9.293 -3.844 8.286 1.00 0.00 C ATOM 0 H ALA A 134 11.631 -4.668 7.986 1.00 0.00 H new ATOM 0 HA ALA A 134 9.331 -5.641 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.206 -3.761 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 134 9.713 -3.243 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.672 -3.484 7.330 1.00 0.00 H new ATOM 2067 N VAL A 135 7.878 -6.707 7.698 1.00 0.00 N ATOM 2068 CA VAL A 135 7.165 -7.558 6.755 1.00 0.00 C ATOM 2069 C VAL A 135 6.574 -6.733 5.617 1.00 0.00 C ATOM 2070 O VAL A 135 5.713 -5.881 5.838 1.00 0.00 O ATOM 2071 CB VAL A 135 6.035 -8.343 7.448 1.00 0.00 C ATOM 2072 CG1 VAL A 135 5.414 -9.348 6.490 1.00 0.00 C ATOM 2073 CG2 VAL A 135 6.556 -9.039 8.697 1.00 0.00 C ATOM 0 H VAL A 135 7.398 -6.568 8.587 1.00 0.00 H new ATOM 0 HA VAL A 135 7.890 -8.265 6.352 1.00 0.00 H new ATOM 0 HB VAL A 135 5.261 -7.637 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 135 4.618 -9.892 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.001 -8.823 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.177 -10.051 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.744 -9.588 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.351 -9.732 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 135 6.947 -8.295 9.392 1.00 0.00 H new ATOM 2083 N THR A 136 7.046 -6.985 4.401 1.00 0.00 N ATOM 2084 CA THR A 136 6.564 -6.257 3.231 1.00 0.00 C ATOM 2085 C THR A 136 6.278 -7.208 2.074 1.00 0.00 C ATOM 2086 O THR A 136 6.745 -8.346 2.059 1.00 0.00 O ATOM 2087 CB THR A 136 7.590 -5.207 2.795 1.00 0.00 C ATOM 2088 OG1 THR A 136 8.569 -5.779 1.947 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.314 -4.553 3.951 1.00 0.00 C ATOM 0 H THR A 136 7.760 -7.685 4.199 1.00 0.00 H new ATOM 0 HA THR A 136 5.635 -5.758 3.508 1.00 0.00 H new ATOM 0 HB THR A 136 7.010 -4.445 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.213 -5.090 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 136 9.025 -3.821 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.592 -4.054 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.848 -5.312 4.522 1.00 0.00 H new ATOM 2097 N GLN A 137 5.513 -6.726 1.100 1.00 0.00 N ATOM 2098 CA GLN A 137 5.166 -7.525 -0.069 1.00 0.00 C ATOM 2099 C GLN A 137 4.679 -6.632 -1.205 1.00 0.00 C ATOM 2100 O GLN A 137 3.673 -5.936 -1.072 1.00 0.00 O ATOM 2101 CB GLN A 137 4.093 -8.555 0.287 1.00 0.00 C ATOM 2102 CG GLN A 137 2.872 -7.954 0.963 1.00 0.00 C ATOM 2103 CD GLN A 137 2.845 -8.212 2.457 1.00 0.00 C ATOM 2104 OE1 GLN A 137 3.870 -8.119 3.133 1.00 0.00 O ATOM 2105 NE2 GLN A 137 1.670 -8.539 2.980 1.00 0.00 N ATOM 0 H GLN A 137 5.121 -5.784 1.098 1.00 0.00 H new ATOM 0 HA GLN A 137 6.061 -8.051 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.779 -9.069 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.528 -9.308 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 137 2.854 -6.879 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 137 1.971 -8.367 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 137 0.846 -8.604 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.591 -8.725 3.980 1.00 0.00 H new ATOM 2114 N VAL A 138 5.401 -6.655 -2.320 1.00 0.00 N ATOM 2115 CA VAL A 138 5.042 -5.844 -3.478 1.00 0.00 C ATOM 2116 C VAL A 138 3.960 -6.522 -4.309 1.00 0.00 C ATOM 2117 O VAL A 138 4.219 -7.496 -5.018 1.00 0.00 O ATOM 2118 CB VAL A 138 6.267 -5.555 -4.363 1.00 0.00 C ATOM 2119 CG1 VAL A 138 5.920 -4.541 -5.441 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.427 -5.058 -3.512 1.00 0.00 C ATOM 0 H VAL A 138 6.237 -7.225 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 138 4.656 -4.898 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 138 6.569 -6.481 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.799 -4.349 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.118 -4.934 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.594 -3.611 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.287 -4.857 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.135 -4.142 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.691 -5.818 -2.777 1.00 0.00 H new ATOM 2130 N ALA A 139 2.743 -5.999 -4.205 1.00 0.00 N ATOM 2131 CA ALA A 139 1.603 -6.541 -4.932 1.00 0.00 C ATOM 2132 C ALA A 139 1.761 -6.365 -6.439 1.00 0.00 C ATOM 2133 O ALA A 139 2.762 -5.826 -6.912 1.00 0.00 O ATOM 2134 CB ALA A 139 0.324 -5.879 -4.446 1.00 0.00 C ATOM 0 H ALA A 139 2.521 -5.194 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 139 1.551 -7.612 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.527 -6.287 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.197 -6.071 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.383 -4.804 -4.617 1.00 0.00 H new ATOM 2140 N LYS A 140 0.764 -6.829 -7.188 1.00 0.00 N ATOM 2141 CA LYS A 140 0.784 -6.731 -8.645 1.00 0.00 C ATOM 2142 C LYS A 140 0.525 -5.302 -9.108 1.00 0.00 C ATOM 2143 O LYS A 140 0.085 -4.455 -8.332 1.00 0.00 O ATOM 2144 CB LYS A 140 -0.258 -7.672 -9.253 1.00 0.00 C ATOM 2145 CG LYS A 140 0.249 -9.090 -9.458 1.00 0.00 C ATOM 2146 CD LYS A 140 -0.898 -10.069 -9.650 1.00 0.00 C ATOM 2147 CE LYS A 140 -0.440 -11.507 -9.468 1.00 0.00 C ATOM 2148 NZ LYS A 140 0.718 -11.836 -10.343 1.00 0.00 N ATOM 0 H LYS A 140 -0.070 -7.278 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 140 1.777 -7.024 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.134 -7.698 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.583 -7.269 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 140 0.905 -9.121 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 140 0.846 -9.392 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.691 -9.846 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.321 -9.944 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.166 -11.671 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.266 -12.182 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.903 -12.859 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 0.502 -11.560 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.559 -11.319 -10.015 1.00 0.00 H new ATOM 2162 N VAL A 141 0.807 -5.042 -10.380 1.00 0.00 N ATOM 2163 CA VAL A 141 0.615 -3.716 -10.955 1.00 0.00 C ATOM 2164 C VAL A 141 -0.600 -3.681 -11.880 1.00 0.00 C ATOM 2165 O VAL A 141 -0.966 -4.692 -12.480 1.00 0.00 O ATOM 2166 CB VAL A 141 1.863 -3.271 -11.741 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.649 -1.899 -12.354 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.085 -3.267 -10.838 1.00 0.00 C ATOM 0 H VAL A 141 1.171 -5.735 -11.034 1.00 0.00 H new ATOM 0 HA VAL A 141 0.447 -3.029 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 141 2.032 -3.983 -12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.542 -1.603 -12.905 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.798 -1.933 -13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.453 -1.174 -11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.958 -2.950 -11.409 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.923 -2.577 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.252 -4.271 -10.447 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.220 -2.507 -11.994 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.392 -2.340 -12.851 1.00 0.00 C ATOM 2180 C PHE A 142 -2.203 -1.189 -13.834 1.00 0.00 C ATOM 2181 O PHE A 142 -2.510 -1.315 -15.018 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.661 -2.096 -12.024 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.418 -1.605 -10.628 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.775 -2.402 -9.697 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -3.854 -0.348 -10.245 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.566 -1.951 -8.408 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.652 0.106 -8.959 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.006 -0.698 -8.038 1.00 0.00 C ATOM 0 H PHE A 142 -0.931 -1.660 -11.505 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.507 -3.269 -13.410 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.284 -1.370 -12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.229 -3.025 -11.974 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.433 -3.386 -9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.358 0.284 -10.961 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.059 -2.579 -7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -3.998 1.088 -8.671 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.846 -0.345 -7.030 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.713 -0.066 -13.325 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.498 1.128 -14.140 1.00 0.00 C ATOM 2200 C ASP A 143 -0.506 0.894 -15.276 1.00 0.00 C ATOM 2201 O ASP A 143 -0.358 1.738 -16.160 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.007 2.274 -13.263 1.00 0.00 C ATOM 2203 CG ASP A 143 -1.756 3.564 -13.522 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -2.786 3.796 -12.856 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -1.311 4.342 -14.392 1.00 0.00 O ATOM 0 H ASP A 143 -1.455 0.045 -12.345 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.457 1.382 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.117 1.998 -12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 143 0.057 2.433 -13.441 1.00 0.00 H new ATOM 2210 N GLN A 144 0.184 -0.238 -15.252 1.00 0.00 N ATOM 2211 CA GLN A 144 1.160 -0.544 -16.283 1.00 0.00 C ATOM 2212 C GLN A 144 0.535 -0.509 -17.680 1.00 0.00 C ATOM 2213 O GLN A 144 1.247 -0.384 -18.675 1.00 0.00 O ATOM 2214 CB GLN A 144 1.784 -1.911 -16.010 1.00 0.00 C ATOM 2215 CG GLN A 144 3.287 -1.940 -16.207 1.00 0.00 C ATOM 2216 CD GLN A 144 3.703 -2.734 -17.430 1.00 0.00 C ATOM 2217 OE1 GLN A 144 3.958 -3.935 -17.347 1.00 0.00 O ATOM 2218 NE2 GLN A 144 3.773 -2.065 -18.575 1.00 0.00 N ATOM 0 H GLN A 144 0.085 -0.955 -14.533 1.00 0.00 H new ATOM 0 HA GLN A 144 1.936 0.221 -16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.554 -2.209 -14.987 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.325 -2.649 -16.668 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.657 -0.919 -16.299 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.757 -2.370 -15.323 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.553 -1.069 -18.598 1.00 0.00 H new ATOM 0 HE22 GLN A 144 4.047 -2.547 -19.431 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.793 -0.618 -17.757 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.479 -0.597 -19.039 1.00 0.00 C ATOM 2229 C TYR A 145 -2.318 0.672 -19.219 1.00 0.00 C ATOM 2230 O TYR A 145 -2.540 1.116 -20.345 1.00 0.00 O ATOM 2231 CB TYR A 145 -2.374 -1.829 -19.195 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.532 -2.676 -17.949 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -1.448 -3.346 -17.395 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -3.771 -2.812 -17.339 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -1.599 -4.128 -16.264 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.931 -3.593 -16.211 1.00 0.00 C ATOM 2237 CZ TYR A 145 -2.841 -4.249 -15.677 1.00 0.00 C ATOM 2238 OH TYR A 145 -2.995 -5.033 -14.555 1.00 0.00 O ATOM 0 H TYR A 145 -1.407 -0.721 -16.949 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.709 -0.608 -19.811 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -3.362 -1.501 -19.519 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.968 -2.454 -19.990 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -0.474 -3.255 -17.854 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.626 -2.298 -17.754 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -0.748 -4.642 -15.842 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -4.903 -3.690 -15.750 1.00 0.00 H new ATOM 0 HH TYR A 145 -2.147 -5.074 -14.065 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.793 1.250 -18.116 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.616 2.459 -18.190 1.00 0.00 C ATOM 2250 C LEU A 146 -3.117 3.545 -17.240 1.00 0.00 C ATOM 2251 O LEU A 146 -2.080 3.395 -16.597 1.00 0.00 O ATOM 2252 CB LEU A 146 -5.090 2.135 -17.895 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.374 1.351 -16.603 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.812 -0.058 -16.693 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.817 2.075 -15.382 1.00 0.00 C ATOM 0 H LEU A 146 -2.625 0.906 -17.170 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.534 2.841 -19.207 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.644 3.073 -17.854 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.489 1.566 -18.734 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.456 1.283 -16.487 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.025 -0.594 -15.768 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.274 -0.581 -17.530 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.734 -0.011 -16.845 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.034 1.495 -14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.738 2.190 -15.488 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.280 3.058 -15.299 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.875 4.637 -17.152 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.530 5.752 -16.277 1.00 0.00 C ATOM 2269 C ASN A 147 -2.070 6.167 -16.448 1.00 0.00 C ATOM 2270 O ASN A 147 -1.411 5.647 -17.373 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.812 5.377 -14.821 1.00 0.00 C ATOM 2272 CG ASN A 147 -5.105 5.982 -14.309 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -6.196 5.578 -14.712 1.00 0.00 O ATOM 2274 ND2 ASN A 147 -4.988 6.958 -13.416 1.00 0.00 N ATOM 2275 OXT ASN A 147 -1.600 7.012 -15.659 1.00 0.00 O ATOM 0 H ASN A 147 -4.737 4.772 -17.680 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.149 6.605 -16.555 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.861 4.292 -14.731 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.985 5.712 -14.195 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -5.823 7.404 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -4.063 7.261 -13.110 1.00 0.00 H new