USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 96 GLN :FLIP amide:sc= -2.93! C(o=-8.3!,f=-5.3!) USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.41! C(o=-8.1!,f=-5.3!) USER MOD Set 2.1: A 80 THR OG1 : rot -23:sc= -1.57! USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0.119! C(o=-1.5!,f=-15!) USER MOD Set 3.1: A 65 SER OG : rot -102:sc= 0.323 USER MOD Set 3.2: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 22 TYR OH : rot 30:sc= -0.0128 USER MOD Set 4.2: A 40 MET CE :methyl 162:sc= -0.322 (180deg=-0.985) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.287 (180deg=-0.912) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -5.94! (180deg=-7.29!) USER MOD Single : A 32 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -0.901 K(o=-0.9,f=-3.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 0.00511 (180deg=-0.0244) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -9.27! C(o=-9.3!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.111 (180deg=-0.673) USER MOD Single : A 51 MET CE :methyl -144:sc= 0 (180deg=-0.555) USER MOD Single : A 52 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 90 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.7) USER MOD Single : A 94 THR OG1 : rot 73:sc= 0.746 USER MOD Single : A 99 ASN : amide:sc= -0.0856 K(o=-0.086,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 82:sc= 1.2 USER MOD Single : A 116 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.13) USER MOD Single : A 119 ASN : amide:sc= -0.984 K(o=-0.98,f=-1.9!) USER MOD Single : A 123 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.272 7.772 -5.780 1.00 0.00 N ATOM 2 CA ALA A 2 -14.166 8.366 -4.978 1.00 0.00 C ATOM 3 C ALA A 2 -13.661 7.339 -3.970 1.00 0.00 C ATOM 4 O ALA A 2 -12.523 7.414 -3.508 1.00 0.00 O ATOM 5 CB ALA A 2 -14.679 9.607 -4.245 1.00 0.00 C ATOM 0 HA ALA A 2 -13.347 8.652 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.871 10.043 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.034 10.338 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.498 9.326 -3.583 1.00 0.00 H new ATOM 13 N SER A 3 -14.516 6.377 -3.634 1.00 0.00 N ATOM 14 CA SER A 3 -14.146 5.340 -2.680 1.00 0.00 C ATOM 15 C SER A 3 -14.232 3.960 -3.326 1.00 0.00 C ATOM 16 O SER A 3 -15.068 3.723 -4.198 1.00 0.00 O ATOM 17 CB SER A 3 -15.071 5.394 -1.463 1.00 0.00 C ATOM 18 OG SER A 3 -14.982 6.681 -0.864 1.00 0.00 O ATOM 0 H SER A 3 -15.462 6.295 -4.006 1.00 0.00 H new ATOM 0 HA SER A 3 -13.118 5.516 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.099 5.190 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.790 4.625 -0.744 1.00 0.00 H new ATOM 0 HG SER A 3 -15.575 6.721 -0.084 1.00 0.00 H new ATOM 24 N LEU A 4 -13.362 3.055 -2.889 1.00 0.00 N ATOM 25 CA LEU A 4 -13.345 1.700 -3.430 1.00 0.00 C ATOM 26 C LEU A 4 -14.702 1.029 -3.242 1.00 0.00 C ATOM 27 O LEU A 4 -15.146 0.259 -4.093 1.00 0.00 O ATOM 28 CB LEU A 4 -12.263 0.875 -2.730 1.00 0.00 C ATOM 29 CG LEU A 4 -12.173 -0.510 -3.377 1.00 0.00 C ATOM 30 CD1 LEU A 4 -11.678 -0.375 -4.819 1.00 0.00 C ATOM 31 CD2 LEU A 4 -11.193 -1.378 -2.585 1.00 0.00 C ATOM 0 H LEU A 4 -12.664 3.233 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.127 1.756 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.301 1.383 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.495 0.778 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.159 -0.974 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.615 -1.363 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.374 0.244 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.692 0.090 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.128 -2.364 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.208 -0.910 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.544 -1.478 -1.558 1.00 0.00 H new ATOM 43 N TYR A 5 -15.352 1.320 -2.120 1.00 0.00 N ATOM 44 CA TYR A 5 -16.654 0.730 -1.831 1.00 0.00 C ATOM 45 C TYR A 5 -17.663 1.084 -2.919 1.00 0.00 C ATOM 46 O TYR A 5 -18.470 0.248 -3.326 1.00 0.00 O ATOM 47 CB TYR A 5 -17.166 1.238 -0.482 1.00 0.00 C ATOM 48 CG TYR A 5 -16.202 0.836 0.608 1.00 0.00 C ATOM 49 CD1 TYR A 5 -16.279 -0.442 1.171 1.00 0.00 C ATOM 50 CD2 TYR A 5 -15.234 1.741 1.057 1.00 0.00 C ATOM 51 CE1 TYR A 5 -15.389 -0.817 2.184 1.00 0.00 C ATOM 52 CE2 TYR A 5 -14.342 1.368 2.069 1.00 0.00 C ATOM 53 CZ TYR A 5 -14.419 0.088 2.633 1.00 0.00 C ATOM 54 OH TYR A 5 -13.540 -0.280 3.630 1.00 0.00 O ATOM 0 H TYR A 5 -15.003 1.955 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 5 -16.538 -0.353 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -17.272 2.323 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -18.154 0.826 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.026 -1.140 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.175 2.728 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -15.450 -1.804 2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -13.595 2.067 2.415 1.00 0.00 H new ATOM 0 HH TYR A 5 -12.932 0.465 3.822 1.00 0.00 H new ATOM 64 N GLU A 6 -17.615 2.327 -3.385 1.00 0.00 N ATOM 65 CA GLU A 6 -18.534 2.777 -4.423 1.00 0.00 C ATOM 66 C GLU A 6 -18.269 2.054 -5.740 1.00 0.00 C ATOM 67 O GLU A 6 -19.200 1.727 -6.477 1.00 0.00 O ATOM 68 CB GLU A 6 -18.387 4.286 -4.631 1.00 0.00 C ATOM 69 CG GLU A 6 -18.830 5.022 -3.366 1.00 0.00 C ATOM 70 CD GLU A 6 -18.744 6.529 -3.583 1.00 0.00 C ATOM 71 OE1 GLU A 6 -18.203 6.931 -4.600 1.00 0.00 O ATOM 72 OE2 GLU A 6 -19.218 7.259 -2.728 1.00 0.00 O ATOM 0 H GLU A 6 -16.955 3.035 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.549 2.548 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.351 4.532 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.989 4.607 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.852 4.741 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.200 4.731 -2.526 1.00 0.00 H new ATOM 79 N LYS A 7 -16.995 1.812 -6.037 1.00 0.00 N ATOM 80 CA LYS A 7 -16.630 1.134 -7.277 1.00 0.00 C ATOM 81 C LYS A 7 -17.168 -0.294 -7.296 1.00 0.00 C ATOM 82 O LYS A 7 -17.866 -0.692 -8.229 1.00 0.00 O ATOM 83 CB LYS A 7 -15.107 1.104 -7.425 1.00 0.00 C ATOM 84 CG LYS A 7 -14.536 2.524 -7.325 1.00 0.00 C ATOM 85 CD LYS A 7 -14.999 3.362 -8.520 1.00 0.00 C ATOM 86 CE LYS A 7 -14.130 4.618 -8.628 1.00 0.00 C ATOM 87 NZ LYS A 7 -14.409 5.305 -9.920 1.00 0.00 N ATOM 0 H LYS A 7 -16.207 2.072 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.071 1.685 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.672 0.474 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.836 0.662 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.862 2.991 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.447 2.485 -7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.928 2.777 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.046 3.640 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.337 5.289 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.075 4.350 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.819 6.158 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.190 4.663 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.413 5.574 -9.961 1.00 0.00 H new ATOM 101 N LEU A 8 -16.837 -1.063 -6.263 1.00 0.00 N ATOM 102 CA LEU A 8 -17.294 -2.447 -6.178 1.00 0.00 C ATOM 103 C LEU A 8 -18.789 -2.505 -5.879 1.00 0.00 C ATOM 104 O LEU A 8 -19.503 -3.361 -6.403 1.00 0.00 O ATOM 105 CB LEU A 8 -16.517 -3.188 -5.088 1.00 0.00 C ATOM 106 CG LEU A 8 -15.016 -3.119 -5.387 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.249 -3.922 -4.335 1.00 0.00 C ATOM 108 CD2 LEU A 8 -14.738 -3.710 -6.771 1.00 0.00 C ATOM 0 H LEU A 8 -16.260 -0.756 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.114 -2.928 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.725 -2.744 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.841 -4.228 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.693 -2.078 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.181 -3.873 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.442 -3.505 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.577 -4.961 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.669 -3.659 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.063 -4.750 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.283 -3.142 -7.525 1.00 0.00 H new ATOM 120 N GLY A 9 -19.256 -1.590 -5.036 1.00 0.00 N ATOM 121 CA GLY A 9 -20.669 -1.547 -4.679 1.00 0.00 C ATOM 122 C GLY A 9 -20.966 -2.463 -3.494 1.00 0.00 C ATOM 123 O GLY A 9 -22.126 -2.685 -3.147 1.00 0.00 O ATOM 0 H GLY A 9 -18.682 -0.874 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.954 -0.524 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.273 -1.848 -5.535 1.00 0.00 H new ATOM 127 N GLY A 10 -19.915 -2.992 -2.876 1.00 0.00 N ATOM 128 CA GLY A 10 -20.085 -3.882 -1.732 1.00 0.00 C ATOM 129 C GLY A 10 -18.766 -4.090 -0.994 1.00 0.00 C ATOM 130 O GLY A 10 -17.771 -4.509 -1.585 1.00 0.00 O ATOM 0 H GLY A 10 -18.946 -2.823 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.825 -3.464 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.471 -4.844 -2.070 1.00 0.00 H new ATOM 134 N ALA A 11 -18.766 -3.793 0.303 1.00 0.00 N ATOM 135 CA ALA A 11 -17.564 -3.951 1.115 1.00 0.00 C ATOM 136 C ALA A 11 -17.163 -5.420 1.209 1.00 0.00 C ATOM 137 O ALA A 11 -15.977 -5.747 1.243 1.00 0.00 O ATOM 138 CB ALA A 11 -17.808 -3.397 2.520 1.00 0.00 C ATOM 0 H ALA A 11 -19.579 -3.444 0.811 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.754 -3.398 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.907 -3.518 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.061 -2.339 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.631 -3.939 2.987 1.00 0.00 H new ATOM 144 N ALA A 12 -18.157 -6.300 1.253 1.00 0.00 N ATOM 145 CA ALA A 12 -17.891 -7.731 1.346 1.00 0.00 C ATOM 146 C ALA A 12 -17.121 -8.212 0.120 1.00 0.00 C ATOM 147 O ALA A 12 -16.294 -9.119 0.210 1.00 0.00 O ATOM 148 CB ALA A 12 -19.206 -8.502 1.461 1.00 0.00 C ATOM 0 H ALA A 12 -19.146 -6.051 1.226 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.287 -7.912 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.997 -9.570 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.741 -8.178 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.819 -8.308 0.581 1.00 0.00 H new ATOM 154 N ALA A 13 -17.402 -7.599 -1.024 1.00 0.00 N ATOM 155 CA ALA A 13 -16.733 -7.971 -2.265 1.00 0.00 C ATOM 156 C ALA A 13 -15.236 -7.686 -2.179 1.00 0.00 C ATOM 157 O ALA A 13 -14.430 -8.363 -2.817 1.00 0.00 O ATOM 158 CB ALA A 13 -17.335 -7.193 -3.436 1.00 0.00 C ATOM 0 H ALA A 13 -18.084 -6.847 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.877 -9.040 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.830 -7.477 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.397 -7.423 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.208 -6.124 -3.266 1.00 0.00 H new ATOM 164 N VAL A 14 -14.873 -6.677 -1.393 1.00 0.00 N ATOM 165 CA VAL A 14 -13.468 -6.312 -1.242 1.00 0.00 C ATOM 166 C VAL A 14 -12.662 -7.482 -0.689 1.00 0.00 C ATOM 167 O VAL A 14 -11.572 -7.783 -1.176 1.00 0.00 O ATOM 168 CB VAL A 14 -13.338 -5.118 -0.292 1.00 0.00 C ATOM 169 CG1 VAL A 14 -11.860 -4.794 -0.079 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.046 -3.903 -0.897 1.00 0.00 C ATOM 0 H VAL A 14 -15.523 -6.103 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.078 -6.046 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.797 -5.365 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.768 -3.944 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.357 -5.659 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.400 -4.548 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.953 -3.054 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.589 -3.655 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.101 -4.134 -1.047 1.00 0.00 H new ATOM 180 N ASP A 15 -13.203 -8.139 0.332 1.00 0.00 N ATOM 181 CA ASP A 15 -12.521 -9.274 0.944 1.00 0.00 C ATOM 182 C ASP A 15 -12.336 -10.403 -0.065 1.00 0.00 C ATOM 183 O ASP A 15 -11.286 -11.044 -0.106 1.00 0.00 O ATOM 184 CB ASP A 15 -13.327 -9.783 2.140 1.00 0.00 C ATOM 185 CG ASP A 15 -13.332 -8.734 3.247 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.552 -7.801 3.158 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.118 -8.880 4.170 1.00 0.00 O ATOM 0 H ASP A 15 -14.104 -7.908 0.750 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.539 -8.942 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.349 -10.005 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.896 -10.713 2.510 1.00 0.00 H new ATOM 192 N LEU A 16 -13.363 -10.645 -0.872 1.00 0.00 N ATOM 193 CA LEU A 16 -13.299 -11.706 -1.873 1.00 0.00 C ATOM 194 C LEU A 16 -12.210 -11.413 -2.900 1.00 0.00 C ATOM 195 O LEU A 16 -11.480 -12.312 -3.317 1.00 0.00 O ATOM 196 CB LEU A 16 -14.650 -11.834 -2.582 1.00 0.00 C ATOM 197 CG LEU A 16 -15.751 -12.093 -1.552 1.00 0.00 C ATOM 198 CD1 LEU A 16 -17.087 -12.281 -2.272 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.422 -13.359 -0.756 1.00 0.00 C ATOM 0 H LEU A 16 -14.242 -10.127 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.061 -12.642 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.867 -10.922 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.616 -12.649 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.817 -11.243 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.872 -12.466 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.324 -11.381 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.018 -13.130 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.207 -13.542 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.355 -14.209 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.469 -13.229 -0.243 1.00 0.00 H new ATOM 211 N ALA A 17 -12.107 -10.151 -3.303 1.00 0.00 N ATOM 212 CA ALA A 17 -11.101 -9.753 -4.281 1.00 0.00 C ATOM 213 C ALA A 17 -9.702 -9.844 -3.682 1.00 0.00 C ATOM 214 O ALA A 17 -8.755 -10.264 -4.347 1.00 0.00 O ATOM 215 CB ALA A 17 -11.367 -8.321 -4.750 1.00 0.00 C ATOM 0 H ALA A 17 -12.702 -9.392 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.162 -10.431 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.611 -8.031 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.355 -8.266 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.325 -7.645 -3.896 1.00 0.00 H new ATOM 221 N VAL A 18 -9.580 -9.443 -2.421 1.00 0.00 N ATOM 222 CA VAL A 18 -8.293 -9.479 -1.737 1.00 0.00 C ATOM 223 C VAL A 18 -7.794 -10.912 -1.593 1.00 0.00 C ATOM 224 O VAL A 18 -6.602 -11.183 -1.748 1.00 0.00 O ATOM 225 CB VAL A 18 -8.421 -8.841 -0.353 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.116 -9.036 0.422 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.702 -7.345 -0.506 1.00 0.00 C ATOM 0 H VAL A 18 -10.352 -9.091 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.574 -8.918 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.240 -9.313 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.207 -8.581 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.913 -10.101 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.297 -8.564 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.793 -6.889 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.882 -6.874 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.631 -7.204 -1.058 1.00 0.00 H new ATOM 237 N GLU A 19 -8.709 -11.826 -1.291 1.00 0.00 N ATOM 238 CA GLU A 19 -8.344 -13.228 -1.122 1.00 0.00 C ATOM 239 C GLU A 19 -7.693 -13.776 -2.388 1.00 0.00 C ATOM 240 O GLU A 19 -6.740 -14.553 -2.318 1.00 0.00 O ATOM 241 CB GLU A 19 -9.587 -14.055 -0.790 1.00 0.00 C ATOM 242 CG GLU A 19 -9.175 -15.496 -0.478 1.00 0.00 C ATOM 243 CD GLU A 19 -10.413 -16.353 -0.243 1.00 0.00 C ATOM 244 OE1 GLU A 19 -11.506 -15.823 -0.351 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.250 -17.528 0.042 1.00 0.00 O ATOM 0 H GLU A 19 -9.700 -11.625 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.629 -13.297 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.107 -13.622 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.282 -14.038 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.592 -15.903 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.535 -15.517 0.404 1.00 0.00 H new ATOM 252 N LYS A 20 -8.207 -13.366 -3.543 1.00 0.00 N ATOM 253 CA LYS A 20 -7.657 -13.828 -4.813 1.00 0.00 C ATOM 254 C LYS A 20 -6.197 -13.407 -4.947 1.00 0.00 C ATOM 255 O LYS A 20 -5.352 -14.189 -5.382 1.00 0.00 O ATOM 256 CB LYS A 20 -8.467 -13.249 -5.974 1.00 0.00 C ATOM 257 CG LYS A 20 -9.896 -13.793 -5.921 1.00 0.00 C ATOM 258 CD LYS A 20 -10.673 -13.307 -7.147 1.00 0.00 C ATOM 259 CE LYS A 20 -12.134 -13.747 -7.032 1.00 0.00 C ATOM 260 NZ LYS A 20 -12.199 -15.101 -6.412 1.00 0.00 N ATOM 0 H LYS A 20 -8.994 -12.723 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.714 -14.916 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.479 -12.161 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.001 -13.513 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.881 -14.883 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.390 -13.459 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.614 -12.221 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.230 -13.713 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.694 -13.032 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.598 -13.764 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.115 -15.541 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.431 -15.692 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.097 -15.016 -5.381 1.00 0.00 H new ATOM 274 N PHE A 21 -5.909 -12.167 -4.567 1.00 0.00 N ATOM 275 CA PHE A 21 -4.548 -11.649 -4.644 1.00 0.00 C ATOM 276 C PHE A 21 -3.632 -12.397 -3.681 1.00 0.00 C ATOM 277 O PHE A 21 -2.507 -12.757 -4.030 1.00 0.00 O ATOM 278 CB PHE A 21 -4.535 -10.157 -4.307 1.00 0.00 C ATOM 279 CG PHE A 21 -3.139 -9.613 -4.490 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.704 -9.205 -5.757 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.277 -9.516 -3.391 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.409 -8.700 -5.924 1.00 0.00 C ATOM 283 CE2 PHE A 21 -0.982 -9.012 -3.558 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.548 -8.603 -4.825 1.00 0.00 C ATOM 0 H PHE A 21 -6.595 -11.505 -4.205 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.184 -11.795 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.233 -9.622 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.866 -10.002 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.368 -9.280 -6.606 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.612 -9.830 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.074 -8.385 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.318 -8.939 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.451 -8.213 -4.954 1.00 0.00 H new ATOM 294 N TYR A 22 -4.119 -12.620 -2.465 1.00 0.00 N ATOM 295 CA TYR A 22 -3.335 -13.317 -1.453 1.00 0.00 C ATOM 296 C TYR A 22 -2.929 -14.703 -1.941 1.00 0.00 C ATOM 297 O TYR A 22 -1.798 -15.139 -1.724 1.00 0.00 O ATOM 298 CB TYR A 22 -4.147 -13.448 -0.163 1.00 0.00 C ATOM 299 CG TYR A 22 -3.291 -14.080 0.908 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.445 -13.283 1.688 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.344 -15.462 1.121 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.651 -13.868 2.680 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.550 -16.048 2.114 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.703 -15.252 2.895 1.00 0.00 C ATOM 305 OH TYR A 22 -0.920 -15.829 3.873 1.00 0.00 O ATOM 0 H TYR A 22 -5.047 -12.330 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.433 -12.736 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.492 -12.467 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.035 -14.055 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.405 -12.216 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.997 -16.076 0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.997 -13.253 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.591 -17.115 2.278 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.776 -15.186 4.598 1.00 0.00 H new ATOM 315 N GLY A 23 -3.854 -15.396 -2.599 1.00 0.00 N ATOM 316 CA GLY A 23 -3.569 -16.732 -3.106 1.00 0.00 C ATOM 317 C GLY A 23 -2.361 -16.714 -4.036 1.00 0.00 C ATOM 318 O GLY A 23 -1.469 -17.555 -3.927 1.00 0.00 O ATOM 0 H GLY A 23 -4.797 -15.058 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.382 -17.409 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.438 -17.116 -3.640 1.00 0.00 H new ATOM 322 N LYS A 24 -2.336 -15.744 -4.945 1.00 0.00 N ATOM 323 CA LYS A 24 -1.226 -15.623 -5.883 1.00 0.00 C ATOM 324 C LYS A 24 0.076 -15.348 -5.138 1.00 0.00 C ATOM 325 O LYS A 24 1.136 -15.847 -5.514 1.00 0.00 O ATOM 326 CB LYS A 24 -1.500 -14.491 -6.876 1.00 0.00 C ATOM 327 CG LYS A 24 -2.713 -14.850 -7.735 1.00 0.00 C ATOM 328 CD LYS A 24 -2.915 -13.780 -8.809 1.00 0.00 C ATOM 329 CE LYS A 24 -4.192 -14.081 -9.596 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.014 -13.658 -11.013 1.00 0.00 N ATOM 0 H LYS A 24 -3.064 -15.037 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.129 -16.563 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.683 -13.559 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.628 -14.329 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.566 -15.824 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.604 -14.926 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.983 -12.795 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.057 -13.758 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.418 -15.146 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.038 -13.556 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.945 -13.573 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.528 -12.739 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.445 -14.367 -11.518 1.00 0.00 H new ATOM 344 N VAL A 25 -0.014 -14.550 -4.078 1.00 0.00 N ATOM 345 CA VAL A 25 1.161 -14.211 -3.284 1.00 0.00 C ATOM 346 C VAL A 25 1.757 -15.463 -2.649 1.00 0.00 C ATOM 347 O VAL A 25 2.976 -15.640 -2.628 1.00 0.00 O ATOM 348 CB VAL A 25 0.780 -13.213 -2.190 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.962 -13.021 -1.240 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.418 -11.870 -2.829 1.00 0.00 C ATOM 0 H VAL A 25 -0.883 -14.128 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 25 1.905 -13.762 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.076 -13.594 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.690 -12.310 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.222 -13.977 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.818 -12.640 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.146 -11.158 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.274 -11.489 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.425 -12.005 -3.507 1.00 0.00 H new ATOM 360 N LEU A 26 0.891 -16.326 -2.130 1.00 0.00 N ATOM 361 CA LEU A 26 1.343 -17.559 -1.495 1.00 0.00 C ATOM 362 C LEU A 26 2.118 -18.418 -2.488 1.00 0.00 C ATOM 363 O LEU A 26 3.103 -19.065 -2.128 1.00 0.00 O ATOM 364 CB LEU A 26 0.140 -18.344 -0.967 1.00 0.00 C ATOM 365 CG LEU A 26 0.628 -19.569 -0.189 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.356 -19.119 1.081 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.573 -20.436 0.197 1.00 0.00 C ATOM 0 H LEU A 26 -0.121 -16.197 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 26 2.001 -17.300 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.467 -17.709 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.495 -18.656 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 26 1.312 -20.144 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.702 -19.994 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.211 -18.500 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.674 -18.543 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.228 -21.309 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.255 -19.857 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.092 -20.760 -0.705 1.00 0.00 H new ATOM 379 N ALA A 27 1.666 -18.422 -3.737 1.00 0.00 N ATOM 380 CA ALA A 27 2.322 -19.209 -4.775 1.00 0.00 C ATOM 381 C ALA A 27 3.752 -18.727 -5.001 1.00 0.00 C ATOM 382 O ALA A 27 4.652 -19.528 -5.254 1.00 0.00 O ATOM 383 CB ALA A 27 1.535 -19.106 -6.082 1.00 0.00 C ATOM 0 H ALA A 27 0.854 -17.893 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 27 2.353 -20.248 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.031 -19.696 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.524 -19.485 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.488 -18.064 -6.397 1.00 0.00 H new ATOM 389 N ASP A 28 3.956 -17.417 -4.911 1.00 0.00 N ATOM 390 CA ASP A 28 5.284 -16.849 -5.113 1.00 0.00 C ATOM 391 C ASP A 28 6.091 -16.885 -3.817 1.00 0.00 C ATOM 392 O ASP A 28 5.883 -16.069 -2.919 1.00 0.00 O ATOM 393 CB ASP A 28 5.164 -15.407 -5.605 1.00 0.00 C ATOM 394 CG ASP A 28 6.546 -14.843 -5.913 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.502 -15.599 -5.845 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.631 -13.664 -6.214 1.00 0.00 O ATOM 0 H ASP A 28 3.227 -16.735 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 28 5.803 -17.447 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.540 -15.370 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.673 -14.796 -4.848 1.00 0.00 H new ATOM 401 N GLU A 29 7.015 -17.835 -3.732 1.00 0.00 N ATOM 402 CA GLU A 29 7.854 -17.974 -2.548 1.00 0.00 C ATOM 403 C GLU A 29 8.898 -16.861 -2.479 1.00 0.00 C ATOM 404 O GLU A 29 9.369 -16.505 -1.399 1.00 0.00 O ATOM 405 CB GLU A 29 8.557 -19.333 -2.563 1.00 0.00 C ATOM 406 CG GLU A 29 7.515 -20.448 -2.454 1.00 0.00 C ATOM 407 CD GLU A 29 8.206 -21.806 -2.397 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.407 -21.846 -2.605 1.00 0.00 O ATOM 409 OE2 GLU A 29 7.524 -22.785 -2.146 1.00 0.00 O ATOM 0 H GLU A 29 7.202 -18.518 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 29 7.213 -17.901 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.132 -19.447 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.263 -19.398 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.907 -20.303 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.840 -20.410 -3.309 1.00 0.00 H new ATOM 416 N ARG A 30 9.272 -16.332 -3.640 1.00 0.00 N ATOM 417 CA ARG A 30 10.280 -15.278 -3.702 1.00 0.00 C ATOM 418 C ARG A 30 9.916 -14.103 -2.797 1.00 0.00 C ATOM 419 O ARG A 30 10.776 -13.551 -2.112 1.00 0.00 O ATOM 420 CB ARG A 30 10.425 -14.783 -5.141 1.00 0.00 C ATOM 421 CG ARG A 30 10.941 -15.922 -6.025 1.00 0.00 C ATOM 422 CD ARG A 30 11.202 -15.395 -7.436 1.00 0.00 C ATOM 423 NE ARG A 30 9.993 -14.782 -7.978 1.00 0.00 N ATOM 424 CZ ARG A 30 9.001 -15.525 -8.455 1.00 0.00 C ATOM 425 NH1 ARG A 30 9.096 -16.827 -8.445 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.930 -14.953 -8.934 1.00 0.00 N ATOM 0 H ARG A 30 8.895 -16.613 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 30 11.224 -15.698 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.464 -14.427 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.114 -13.939 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.858 -16.336 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.211 -16.731 -6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.011 -14.664 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.526 -16.211 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 30 9.909 -13.766 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.933 -17.274 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.334 -17.397 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.855 -13.936 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.168 -15.523 -9.300 1.00 0.00 H new ATOM 440 N VAL A 31 8.643 -13.721 -2.796 1.00 0.00 N ATOM 441 CA VAL A 31 8.200 -12.606 -1.963 1.00 0.00 C ATOM 442 C VAL A 31 8.001 -13.055 -0.519 1.00 0.00 C ATOM 443 O VAL A 31 8.168 -12.270 0.414 1.00 0.00 O ATOM 444 CB VAL A 31 6.896 -12.023 -2.511 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.134 -11.478 -3.920 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.832 -13.119 -2.568 1.00 0.00 C ATOM 0 H VAL A 31 7.909 -14.158 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 31 8.972 -11.837 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 31 6.557 -11.218 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.205 -11.062 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.894 -10.698 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.472 -12.285 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.903 -12.704 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.173 -13.923 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.661 -13.512 -1.566 1.00 0.00 H new ATOM 456 N ASN A 32 7.642 -14.323 -0.346 1.00 0.00 N ATOM 457 CA ASN A 32 7.419 -14.872 0.987 1.00 0.00 C ATOM 458 C ASN A 32 8.664 -14.722 1.856 1.00 0.00 C ATOM 459 O ASN A 32 8.567 -14.582 3.075 1.00 0.00 O ATOM 460 CB ASN A 32 7.041 -16.351 0.886 1.00 0.00 C ATOM 461 CG ASN A 32 5.700 -16.498 0.174 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.958 -15.525 0.039 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.343 -17.664 -0.291 1.00 0.00 N ATOM 0 H ASN A 32 7.500 -14.987 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 32 6.604 -14.316 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.813 -16.896 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.983 -16.789 1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.447 -17.771 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.960 -18.469 -0.178 1.00 0.00 H new ATOM 470 N ARG A 33 9.833 -14.761 1.224 1.00 0.00 N ATOM 471 CA ARG A 33 11.090 -14.639 1.957 1.00 0.00 C ATOM 472 C ARG A 33 11.101 -13.374 2.813 1.00 0.00 C ATOM 473 O ARG A 33 11.595 -13.381 3.941 1.00 0.00 O ATOM 474 CB ARG A 33 12.261 -14.598 0.973 1.00 0.00 C ATOM 475 CG ARG A 33 12.348 -15.931 0.227 1.00 0.00 C ATOM 476 CD ARG A 33 13.583 -15.931 -0.674 1.00 0.00 C ATOM 477 NE ARG A 33 13.531 -14.808 -1.602 1.00 0.00 N ATOM 478 CZ ARG A 33 14.552 -14.533 -2.407 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.628 -15.271 -2.373 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.480 -13.524 -3.231 1.00 0.00 N ATOM 0 H ARG A 33 9.937 -14.875 0.216 1.00 0.00 H new ATOM 0 HA ARG A 33 11.189 -15.504 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.126 -13.781 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.192 -14.406 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.404 -16.755 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.449 -16.085 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.485 -15.868 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.637 -16.868 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 33 12.696 -14.223 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.686 -16.059 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.411 -15.059 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.640 -12.946 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.264 -13.313 -3.849 1.00 0.00 H new ATOM 494 N PHE A 34 10.556 -12.290 2.271 1.00 0.00 N ATOM 495 CA PHE A 34 10.512 -11.022 2.993 1.00 0.00 C ATOM 496 C PHE A 34 9.525 -11.080 4.158 1.00 0.00 C ATOM 497 O PHE A 34 9.695 -10.386 5.160 1.00 0.00 O ATOM 498 CB PHE A 34 10.110 -9.895 2.040 1.00 0.00 C ATOM 499 CG PHE A 34 11.217 -9.662 1.040 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.260 -8.779 1.341 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.200 -10.333 -0.189 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.286 -8.565 0.413 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.226 -10.119 -1.117 1.00 0.00 C ATOM 504 CZ PHE A 34 13.269 -9.235 -0.816 1.00 0.00 C ATOM 0 H PHE A 34 10.141 -12.263 1.340 1.00 0.00 H new ATOM 0 HA PHE A 34 11.507 -10.830 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.186 -10.154 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.915 -8.982 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.273 -8.263 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.396 -11.015 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.091 -7.883 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.213 -10.636 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.061 -9.070 -1.532 1.00 0.00 H new ATOM 514 N PHE A 35 8.485 -11.896 4.013 1.00 0.00 N ATOM 515 CA PHE A 35 7.470 -12.014 5.056 1.00 0.00 C ATOM 516 C PHE A 35 7.844 -13.077 6.086 1.00 0.00 C ATOM 517 O PHE A 35 7.025 -13.449 6.926 1.00 0.00 O ATOM 518 CB PHE A 35 6.117 -12.358 4.431 1.00 0.00 C ATOM 519 CG PHE A 35 5.650 -11.201 3.580 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.042 -10.092 4.182 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.826 -11.235 2.193 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.610 -9.018 3.395 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.395 -10.160 1.405 1.00 0.00 C ATOM 524 CZ PHE A 35 4.786 -9.052 2.007 1.00 0.00 C ATOM 0 H PHE A 35 8.323 -12.480 3.193 1.00 0.00 H new ATOM 0 HA PHE A 35 7.407 -11.054 5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.203 -13.259 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.386 -12.568 5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.907 -10.066 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.294 -12.090 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.141 -8.163 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.532 -10.186 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.452 -8.223 1.400 1.00 0.00 H new ATOM 534 N VAL A 36 9.078 -13.564 6.022 1.00 0.00 N ATOM 535 CA VAL A 36 9.529 -14.580 6.967 1.00 0.00 C ATOM 536 C VAL A 36 9.514 -14.031 8.388 1.00 0.00 C ATOM 537 O VAL A 36 9.238 -14.757 9.343 1.00 0.00 O ATOM 538 CB VAL A 36 10.944 -15.038 6.612 1.00 0.00 C ATOM 539 CG1 VAL A 36 10.949 -15.623 5.202 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.896 -13.842 6.671 1.00 0.00 C ATOM 0 H VAL A 36 9.776 -13.277 5.336 1.00 0.00 H new ATOM 0 HA VAL A 36 8.849 -15.430 6.908 1.00 0.00 H new ATOM 0 HB VAL A 36 11.270 -15.798 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.957 -15.950 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.270 -16.474 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.624 -14.863 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.905 -14.167 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.571 -13.083 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.891 -13.423 7.677 1.00 0.00 H new ATOM 550 N ASN A 37 9.809 -12.742 8.522 1.00 0.00 N ATOM 551 CA ASN A 37 9.823 -12.103 9.832 1.00 0.00 C ATOM 552 C ASN A 37 8.427 -11.611 10.202 1.00 0.00 C ATOM 553 O ASN A 37 8.235 -10.975 11.238 1.00 0.00 O ATOM 554 CB ASN A 37 10.800 -10.926 9.826 1.00 0.00 C ATOM 555 CG ASN A 37 12.210 -11.423 9.527 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.500 -12.608 9.697 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.109 -10.586 9.088 1.00 0.00 N ATOM 0 H ASN A 37 10.040 -12.123 7.745 1.00 0.00 H new ATOM 0 HA ASN A 37 10.144 -12.836 10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.497 -10.194 9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.780 -10.421 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.054 -10.912 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.867 -9.605 8.948 1.00 0.00 H new ATOM 564 N THR A 38 7.455 -11.913 9.345 1.00 0.00 N ATOM 565 CA THR A 38 6.078 -11.500 9.588 1.00 0.00 C ATOM 566 C THR A 38 5.146 -12.709 9.566 1.00 0.00 C ATOM 567 O THR A 38 5.314 -13.615 8.750 1.00 0.00 O ATOM 568 CB THR A 38 5.639 -10.498 8.517 1.00 0.00 C ATOM 569 OG1 THR A 38 6.552 -9.410 8.486 1.00 0.00 O ATOM 570 CG2 THR A 38 4.237 -9.981 8.842 1.00 0.00 C ATOM 0 H THR A 38 7.595 -12.439 8.482 1.00 0.00 H new ATOM 0 HA THR A 38 6.025 -11.031 10.570 1.00 0.00 H new ATOM 0 HB THR A 38 5.625 -10.989 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.273 -8.768 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.926 -9.268 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.537 -10.816 8.865 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.247 -9.490 9.815 1.00 0.00 H new ATOM 578 N ASP A 39 4.165 -12.717 10.465 1.00 0.00 N ATOM 579 CA ASP A 39 3.219 -13.825 10.528 1.00 0.00 C ATOM 580 C ASP A 39 2.219 -13.739 9.378 1.00 0.00 C ATOM 581 O ASP A 39 2.044 -12.682 8.772 1.00 0.00 O ATOM 582 CB ASP A 39 2.476 -13.808 11.867 1.00 0.00 C ATOM 583 CG ASP A 39 1.616 -12.554 11.976 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.401 -11.918 10.960 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.186 -12.250 13.076 1.00 0.00 O ATOM 0 H ASP A 39 4.006 -11.979 11.151 1.00 0.00 H new ATOM 0 HA ASP A 39 3.774 -14.759 10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.850 -14.696 11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.192 -13.840 12.689 1.00 0.00 H new ATOM 590 N MET A 40 1.576 -14.862 9.078 1.00 0.00 N ATOM 591 CA MET A 40 0.603 -14.911 7.992 1.00 0.00 C ATOM 592 C MET A 40 -0.569 -13.966 8.246 1.00 0.00 C ATOM 593 O MET A 40 -1.102 -13.366 7.313 1.00 0.00 O ATOM 594 CB MET A 40 0.078 -16.338 7.831 1.00 0.00 C ATOM 595 CG MET A 40 1.219 -17.252 7.378 1.00 0.00 C ATOM 596 SD MET A 40 0.562 -18.895 6.994 1.00 0.00 S ATOM 597 CE MET A 40 -0.295 -18.452 5.462 1.00 0.00 C ATOM 0 H MET A 40 1.710 -15.746 9.568 1.00 0.00 H new ATOM 0 HA MET A 40 1.106 -14.593 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.335 -16.694 8.775 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.731 -16.359 7.101 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.710 -16.831 6.501 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.974 -17.325 8.161 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.502 -19.354 4.887 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.233 -17.951 5.702 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.333 -17.783 4.874 1.00 0.00 H new ATOM 607 N ALA A 41 -0.976 -13.843 9.506 1.00 0.00 N ATOM 608 CA ALA A 41 -2.099 -12.975 9.850 1.00 0.00 C ATOM 609 C ALA A 41 -1.789 -11.518 9.517 1.00 0.00 C ATOM 610 O ALA A 41 -2.519 -10.877 8.761 1.00 0.00 O ATOM 611 CB ALA A 41 -2.417 -13.101 11.340 1.00 0.00 C ATOM 0 H ALA A 41 -0.552 -14.327 10.297 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.962 -13.289 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.256 -12.451 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.678 -14.134 11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.545 -12.808 11.924 1.00 0.00 H new ATOM 617 N LYS A 42 -0.706 -11.000 10.085 1.00 0.00 N ATOM 618 CA LYS A 42 -0.314 -9.617 9.837 1.00 0.00 C ATOM 619 C LYS A 42 -0.035 -9.403 8.353 1.00 0.00 C ATOM 620 O LYS A 42 -0.295 -8.330 7.809 1.00 0.00 O ATOM 621 CB LYS A 42 0.932 -9.269 10.654 1.00 0.00 C ATOM 622 CG LYS A 42 1.181 -7.760 10.592 1.00 0.00 C ATOM 623 CD LYS A 42 2.441 -7.420 11.390 1.00 0.00 C ATOM 624 CE LYS A 42 2.568 -5.902 11.527 1.00 0.00 C ATOM 625 NZ LYS A 42 3.646 -5.580 12.503 1.00 0.00 N ATOM 0 H LYS A 42 -0.088 -11.511 10.715 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.133 -8.965 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.800 -9.584 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.796 -9.807 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.296 -7.442 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.324 -7.222 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.394 -7.882 12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.321 -7.825 10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.795 -5.456 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.622 -5.476 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.733 -4.548 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.411 -5.993 13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.548 -5.974 12.167 1.00 0.00 H new ATOM 639 N GLN A 43 0.502 -10.433 7.707 1.00 0.00 N ATOM 640 CA GLN A 43 0.822 -10.355 6.286 1.00 0.00 C ATOM 641 C GLN A 43 -0.403 -9.944 5.474 1.00 0.00 C ATOM 642 O GLN A 43 -0.300 -9.140 4.547 1.00 0.00 O ATOM 643 CB GLN A 43 1.327 -11.713 5.795 1.00 0.00 C ATOM 644 CG GLN A 43 1.799 -11.590 4.346 1.00 0.00 C ATOM 645 CD GLN A 43 2.211 -12.960 3.816 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.222 -13.985 4.623 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.531 -13.099 2.635 1.00 0.00 N flip ATOM 0 H GLN A 43 0.724 -11.328 8.143 1.00 0.00 H new ATOM 0 HA GLN A 43 1.598 -9.602 6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.145 -12.058 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.533 -12.456 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.002 -11.176 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.640 -10.899 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.522 -12.296 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.805 -14.017 2.286 1.00 0.00 H new ATOM 656 N LYS A 44 -1.559 -10.497 5.823 1.00 0.00 N ATOM 657 CA LYS A 44 -2.790 -10.173 5.110 1.00 0.00 C ATOM 658 C LYS A 44 -3.078 -8.679 5.189 1.00 0.00 C ATOM 659 O LYS A 44 -3.576 -8.079 4.236 1.00 0.00 O ATOM 660 CB LYS A 44 -3.964 -10.953 5.705 1.00 0.00 C ATOM 661 CG LYS A 44 -3.762 -12.449 5.460 1.00 0.00 C ATOM 662 CD LYS A 44 -4.989 -13.218 5.951 1.00 0.00 C ATOM 663 CE LYS A 44 -4.740 -14.722 5.812 1.00 0.00 C ATOM 664 NZ LYS A 44 -3.856 -15.183 6.919 1.00 0.00 N ATOM 0 H LYS A 44 -1.670 -11.164 6.586 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.663 -10.453 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.040 -10.756 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.899 -10.623 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.604 -12.636 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.870 -12.796 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.196 -12.968 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.867 -12.929 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.686 -15.262 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.277 -14.937 4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.809 -16.222 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.901 -14.793 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.240 -14.856 7.829 1.00 0.00 H new ATOM 678 N GLN A 45 -2.763 -8.081 6.334 1.00 0.00 N ATOM 679 CA GLN A 45 -2.994 -6.655 6.529 1.00 0.00 C ATOM 680 C GLN A 45 -2.227 -5.836 5.494 1.00 0.00 C ATOM 681 O GLN A 45 -2.739 -4.846 4.973 1.00 0.00 O ATOM 682 CB GLN A 45 -2.553 -6.245 7.935 1.00 0.00 C ATOM 683 CG GLN A 45 -2.974 -4.799 8.201 1.00 0.00 C ATOM 684 CD GLN A 45 -2.433 -4.338 9.550 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.220 -4.235 9.731 1.00 0.00 O ATOM 686 NE2 GLN A 45 -3.266 -4.055 10.515 1.00 0.00 N ATOM 0 H GLN A 45 -2.350 -8.558 7.135 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.060 -6.460 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.001 -6.907 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.472 -6.344 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.599 -4.151 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.061 -4.720 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.271 -4.141 10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.912 -3.748 11.421 1.00 0.00 H new ATOM 695 N HIS A 46 -0.998 -6.251 5.205 1.00 0.00 N ATOM 696 CA HIS A 46 -0.175 -5.541 4.232 1.00 0.00 C ATOM 697 C HIS A 46 -0.840 -5.536 2.860 1.00 0.00 C ATOM 698 O HIS A 46 -0.910 -4.499 2.199 1.00 0.00 O ATOM 699 CB HIS A 46 1.203 -6.199 4.131 1.00 0.00 C ATOM 700 CG HIS A 46 2.075 -5.394 3.205 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.233 -5.723 1.868 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.839 -4.273 3.409 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.064 -4.815 1.324 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.464 -3.908 2.220 1.00 0.00 N ATOM 0 H HIS A 46 -0.553 -7.067 5.626 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.062 -4.511 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.662 -6.261 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.105 -7.219 3.760 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.799 -6.509 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.940 -3.752 4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.371 -4.819 0.288 1.00 0.00 H new ATOM 712 N GLN A 47 -1.327 -6.697 2.437 1.00 0.00 N ATOM 713 CA GLN A 47 -1.984 -6.808 1.139 1.00 0.00 C ATOM 714 C GLN A 47 -3.218 -5.915 1.082 1.00 0.00 C ATOM 715 O GLN A 47 -3.513 -5.315 0.049 1.00 0.00 O ATOM 716 CB GLN A 47 -2.391 -8.260 0.870 1.00 0.00 C ATOM 717 CG GLN A 47 -1.150 -9.105 0.558 1.00 0.00 C ATOM 718 CD GLN A 47 0.045 -8.627 1.376 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.579 -7.547 1.129 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.501 -9.376 2.343 1.00 0.00 N ATOM 0 H GLN A 47 -1.281 -7.567 2.967 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.278 -6.485 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.909 -8.667 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.089 -8.301 0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.352 -10.153 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.918 -9.042 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.057 -10.272 2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.301 -9.066 2.895 1.00 0.00 H new ATOM 729 N LYS A 48 -3.938 -5.828 2.197 1.00 0.00 N ATOM 730 CA LYS A 48 -5.136 -4.999 2.248 1.00 0.00 C ATOM 731 C LYS A 48 -4.786 -3.546 1.952 1.00 0.00 C ATOM 732 O LYS A 48 -5.429 -2.897 1.127 1.00 0.00 O ATOM 733 CB LYS A 48 -5.782 -5.101 3.631 1.00 0.00 C ATOM 734 CG LYS A 48 -7.112 -4.346 3.632 1.00 0.00 C ATOM 735 CD LYS A 48 -7.724 -4.393 5.033 1.00 0.00 C ATOM 736 CE LYS A 48 -9.126 -3.782 4.998 1.00 0.00 C ATOM 737 NZ LYS A 48 -10.012 -4.620 4.141 1.00 0.00 N ATOM 0 H LYS A 48 -3.716 -6.314 3.066 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.839 -5.354 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.946 -6.147 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.115 -4.685 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.955 -3.311 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.796 -4.792 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.773 -5.423 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.095 -3.846 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.532 -3.719 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.081 -2.765 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.006 -4.437 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.852 -4.383 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.797 -5.625 4.298 1.00 0.00 H new ATOM 751 N ASP A 49 -3.755 -3.043 2.626 1.00 0.00 N ATOM 752 CA ASP A 49 -3.319 -1.667 2.420 1.00 0.00 C ATOM 753 C ASP A 49 -2.754 -1.493 1.015 1.00 0.00 C ATOM 754 O ASP A 49 -2.975 -0.470 0.366 1.00 0.00 O ATOM 755 CB ASP A 49 -2.253 -1.298 3.453 1.00 0.00 C ATOM 756 CG ASP A 49 -2.861 -1.290 4.851 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.077 -1.314 4.946 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.102 -1.259 5.806 1.00 0.00 O ATOM 0 H ASP A 49 -3.211 -3.563 3.314 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.179 -1.008 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.430 -2.012 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.836 -0.317 3.223 1.00 0.00 H new ATOM 763 N PHE A 50 -2.020 -2.501 0.555 1.00 0.00 N ATOM 764 CA PHE A 50 -1.417 -2.458 -0.773 1.00 0.00 C ATOM 765 C PHE A 50 -2.488 -2.339 -1.851 1.00 0.00 C ATOM 766 O PHE A 50 -2.388 -1.503 -2.749 1.00 0.00 O ATOM 767 CB PHE A 50 -0.596 -3.728 -1.006 1.00 0.00 C ATOM 768 CG PHE A 50 0.126 -3.632 -2.328 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.392 -3.037 -2.392 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.469 -4.138 -3.489 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.063 -2.950 -3.618 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.201 -4.050 -4.716 1.00 0.00 C ATOM 773 CZ PHE A 50 1.467 -3.456 -4.780 1.00 0.00 C ATOM 0 H PHE A 50 -1.829 -3.355 1.080 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.769 -1.584 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.122 -3.862 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.249 -4.601 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.851 -2.645 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.445 -4.597 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.040 -2.493 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.259 -4.440 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.984 -3.388 -5.726 1.00 0.00 H new ATOM 783 N MET A 51 -3.510 -3.184 -1.761 1.00 0.00 N ATOM 784 CA MET A 51 -4.591 -3.165 -2.739 1.00 0.00 C ATOM 785 C MET A 51 -5.334 -1.833 -2.699 1.00 0.00 C ATOM 786 O MET A 51 -5.699 -1.284 -3.737 1.00 0.00 O ATOM 787 CB MET A 51 -5.568 -4.307 -2.457 1.00 0.00 C ATOM 788 CG MET A 51 -6.601 -4.385 -3.581 1.00 0.00 C ATOM 789 SD MET A 51 -7.817 -5.670 -3.198 1.00 0.00 S ATOM 790 CE MET A 51 -8.690 -5.634 -4.784 1.00 0.00 C ATOM 0 H MET A 51 -3.612 -3.885 -1.027 1.00 0.00 H new ATOM 0 HA MET A 51 -4.158 -3.292 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.028 -5.251 -2.379 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.067 -4.145 -1.501 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.099 -3.422 -3.699 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.108 -4.607 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.754 -5.803 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.547 -4.662 -5.256 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.296 -6.415 -5.434 1.00 0.00 H new ATOM 800 N THR A 52 -5.553 -1.319 -1.492 1.00 0.00 N ATOM 801 CA THR A 52 -6.254 -0.049 -1.329 1.00 0.00 C ATOM 802 C THR A 52 -5.480 1.082 -1.998 1.00 0.00 C ATOM 803 O THR A 52 -6.067 1.970 -2.616 1.00 0.00 O ATOM 804 CB THR A 52 -6.433 0.260 0.159 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.075 -0.836 0.795 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.287 1.519 0.322 1.00 0.00 C ATOM 0 H THR A 52 -5.258 -1.758 -0.620 1.00 0.00 H new ATOM 0 HA THR A 52 -7.232 -0.132 -1.803 1.00 0.00 H new ATOM 0 HB THR A 52 -5.457 0.425 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.399 -1.447 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.414 1.738 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.793 2.359 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.264 1.358 -0.134 1.00 0.00 H new ATOM 814 N TYR A 53 -4.158 1.043 -1.866 1.00 0.00 N ATOM 815 CA TYR A 53 -3.307 2.070 -2.457 1.00 0.00 C ATOM 816 C TYR A 53 -3.494 2.124 -3.970 1.00 0.00 C ATOM 817 O TYR A 53 -3.457 3.198 -4.571 1.00 0.00 O ATOM 818 CB TYR A 53 -1.840 1.783 -2.132 1.00 0.00 C ATOM 819 CG TYR A 53 -0.982 2.914 -2.644 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.796 4.060 -1.861 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.373 2.818 -3.901 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.000 5.110 -2.336 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.422 3.868 -4.376 1.00 0.00 C ATOM 824 CZ TYR A 53 0.609 5.014 -3.593 1.00 0.00 C ATOM 825 OH TYR A 53 1.392 6.049 -4.061 1.00 0.00 O ATOM 0 H TYR A 53 -3.655 0.316 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.592 3.034 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.710 1.672 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.532 0.843 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.266 4.134 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.517 1.934 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.144 5.994 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.891 3.794 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 53 1.740 5.821 -4.948 1.00 0.00 H new ATOM 835 N ALA A 54 -3.689 0.960 -4.581 1.00 0.00 N ATOM 836 CA ALA A 54 -3.874 0.887 -6.026 1.00 0.00 C ATOM 837 C ALA A 54 -5.049 1.755 -6.464 1.00 0.00 C ATOM 838 O ALA A 54 -5.064 2.280 -7.578 1.00 0.00 O ATOM 839 CB ALA A 54 -4.125 -0.562 -6.447 1.00 0.00 C ATOM 0 H ALA A 54 -3.723 0.060 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.968 1.255 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.262 -0.608 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.271 -1.177 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.021 -0.935 -5.951 1.00 0.00 H new ATOM 845 N PHE A 55 -6.031 1.907 -5.582 1.00 0.00 N ATOM 846 CA PHE A 55 -7.203 2.717 -5.893 1.00 0.00 C ATOM 847 C PHE A 55 -6.999 4.160 -5.440 1.00 0.00 C ATOM 848 O PHE A 55 -7.921 4.973 -5.496 1.00 0.00 O ATOM 849 CB PHE A 55 -8.442 2.131 -5.212 1.00 0.00 C ATOM 850 CG PHE A 55 -8.780 0.803 -5.845 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.551 0.761 -7.013 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.322 -0.388 -5.267 1.00 0.00 C ATOM 853 CE1 PHE A 55 -9.863 -0.469 -7.603 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.635 -1.619 -5.857 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.406 -1.659 -7.025 1.00 0.00 C ATOM 0 H PHE A 55 -6.040 1.484 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.348 2.709 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.258 2.002 -4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.283 2.817 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.905 1.679 -7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.727 -0.357 -4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.457 -0.500 -8.505 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.282 -2.537 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.648 -2.608 -7.480 1.00 0.00 H new ATOM 865 N GLY A 56 -5.785 4.471 -4.997 1.00 0.00 N ATOM 866 CA GLY A 56 -5.474 5.821 -4.544 1.00 0.00 C ATOM 867 C GLY A 56 -5.749 5.979 -3.052 1.00 0.00 C ATOM 868 O GLY A 56 -5.886 7.094 -2.553 1.00 0.00 O ATOM 0 H GLY A 56 -5.007 3.813 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.427 6.044 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.069 6.542 -5.105 1.00 0.00 H new ATOM 872 N GLY A 57 -5.831 4.853 -2.348 1.00 0.00 N ATOM 873 CA GLY A 57 -6.091 4.878 -0.912 1.00 0.00 C ATOM 874 C GLY A 57 -5.043 5.712 -0.179 1.00 0.00 C ATOM 875 O GLY A 57 -4.177 5.171 0.509 1.00 0.00 O ATOM 0 H GLY A 57 -5.722 3.920 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.083 5.289 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.089 3.861 -0.521 1.00 0.00 H new ATOM 879 N THR A 58 -5.130 7.028 -0.331 1.00 0.00 N ATOM 880 CA THR A 58 -4.186 7.930 0.319 1.00 0.00 C ATOM 881 C THR A 58 -4.851 8.646 1.491 1.00 0.00 C ATOM 882 O THR A 58 -4.365 9.677 1.957 1.00 0.00 O ATOM 883 CB THR A 58 -3.672 8.963 -0.687 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.749 9.790 -1.104 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.078 8.245 -1.900 1.00 0.00 C ATOM 0 H THR A 58 -5.841 7.493 -0.896 1.00 0.00 H new ATOM 0 HA THR A 58 -3.349 7.341 0.694 1.00 0.00 H new ATOM 0 HB THR A 58 -2.902 9.576 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.422 10.453 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.712 8.981 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.252 7.610 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.846 7.631 -2.371 1.00 0.00 H new ATOM 893 N ASP A 59 -5.969 8.099 1.954 1.00 0.00 N ATOM 894 CA ASP A 59 -6.700 8.698 3.065 1.00 0.00 C ATOM 895 C ASP A 59 -5.794 8.886 4.279 1.00 0.00 C ATOM 896 O ASP A 59 -5.888 9.892 4.981 1.00 0.00 O ATOM 897 CB ASP A 59 -7.885 7.809 3.447 1.00 0.00 C ATOM 898 CG ASP A 59 -8.919 7.808 2.325 1.00 0.00 C ATOM 899 OD1 ASP A 59 -8.800 8.634 1.436 1.00 0.00 O ATOM 900 OD2 ASP A 59 -9.814 6.980 2.372 1.00 0.00 O ATOM 0 H ASP A 59 -6.387 7.247 1.580 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.060 9.676 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.541 6.792 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.338 8.170 4.370 1.00 0.00 H new ATOM 905 N ARG A 60 -4.918 7.916 4.522 1.00 0.00 N ATOM 906 CA ARG A 60 -4.006 8.000 5.659 1.00 0.00 C ATOM 907 C ARG A 60 -2.669 7.339 5.334 1.00 0.00 C ATOM 908 O ARG A 60 -2.444 6.175 5.667 1.00 0.00 O ATOM 909 CB ARG A 60 -4.631 7.316 6.877 1.00 0.00 C ATOM 910 CG ARG A 60 -5.881 8.086 7.309 1.00 0.00 C ATOM 911 CD ARG A 60 -6.441 7.472 8.592 1.00 0.00 C ATOM 912 NE ARG A 60 -6.733 6.057 8.389 1.00 0.00 N ATOM 913 CZ ARG A 60 -7.891 5.664 7.870 1.00 0.00 C ATOM 914 NH1 ARG A 60 -8.790 6.548 7.534 1.00 0.00 N ATOM 915 NH2 ARG A 60 -8.129 4.393 7.696 1.00 0.00 N ATOM 0 H ARG A 60 -4.820 7.073 3.956 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.829 9.053 5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.891 6.286 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.912 7.280 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.636 9.135 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.632 8.053 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.723 7.590 9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.348 7.999 8.890 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.037 5.358 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.604 7.542 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.679 6.245 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.426 3.702 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.018 4.090 7.298 1.00 0.00 H new ATOM 929 N PHE A 61 -1.785 8.090 4.687 1.00 0.00 N ATOM 930 CA PHE A 61 -0.471 7.567 4.328 1.00 0.00 C ATOM 931 C PHE A 61 0.621 8.583 4.653 1.00 0.00 C ATOM 932 O PHE A 61 1.111 9.286 3.771 1.00 0.00 O ATOM 933 CB PHE A 61 -0.432 7.227 2.838 1.00 0.00 C ATOM 934 CG PHE A 61 -0.865 5.795 2.640 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.226 5.475 2.581 1.00 0.00 C ATOM 936 CD2 PHE A 61 0.097 4.784 2.517 1.00 0.00 C ATOM 937 CE1 PHE A 61 -2.626 4.145 2.399 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.303 3.455 2.336 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.665 3.136 2.278 1.00 0.00 C ATOM 0 H PHE A 61 -1.951 9.055 4.402 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.291 6.663 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.089 7.897 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.575 7.372 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.968 6.254 2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.148 5.030 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.676 3.899 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.439 2.676 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.974 2.110 2.140 1.00 0.00 H new ATOM 949 N PRO A 62 1.004 8.668 5.900 1.00 0.00 N ATOM 950 CA PRO A 62 2.060 9.618 6.356 1.00 0.00 C ATOM 951 C PRO A 62 3.347 9.479 5.546 1.00 0.00 C ATOM 952 O PRO A 62 3.765 8.371 5.209 1.00 0.00 O ATOM 953 CB PRO A 62 2.295 9.236 7.820 1.00 0.00 C ATOM 954 CG PRO A 62 1.056 8.524 8.255 1.00 0.00 C ATOM 955 CD PRO A 62 0.468 7.866 7.008 1.00 0.00 C ATOM 0 HA PRO A 62 1.754 10.656 6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.171 8.595 7.922 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.474 10.120 8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.285 7.777 9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.344 9.221 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.769 6.822 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.622 7.883 7.023 1.00 0.00 H new ATOM 963 N GLY A 63 3.970 10.612 5.237 1.00 0.00 N ATOM 964 CA GLY A 63 5.208 10.609 4.466 1.00 0.00 C ATOM 965 C GLY A 63 6.425 10.506 5.378 1.00 0.00 C ATOM 966 O GLY A 63 6.294 10.341 6.591 1.00 0.00 O ATOM 0 H GLY A 63 3.640 11.539 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.202 9.773 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.272 11.521 3.872 1.00 0.00 H new ATOM 970 N ARG A 64 7.610 10.609 4.783 1.00 0.00 N ATOM 971 CA ARG A 64 8.854 10.531 5.543 1.00 0.00 C ATOM 972 C ARG A 64 8.719 9.550 6.704 1.00 0.00 C ATOM 973 O ARG A 64 8.554 9.957 7.855 1.00 0.00 O ATOM 974 CB ARG A 64 9.216 11.915 6.085 1.00 0.00 C ATOM 975 CG ARG A 64 10.672 11.919 6.564 1.00 0.00 C ATOM 976 CD ARG A 64 11.618 12.001 5.361 1.00 0.00 C ATOM 977 NE ARG A 64 12.340 13.268 5.378 1.00 0.00 N ATOM 978 CZ ARG A 64 11.839 14.351 4.791 1.00 0.00 C ATOM 979 NH1 ARG A 64 10.688 14.290 4.180 1.00 0.00 N ATOM 980 NH2 ARG A 64 12.500 15.477 4.827 1.00 0.00 N ATOM 0 H ARG A 64 7.735 10.746 3.780 1.00 0.00 H new ATOM 0 HA ARG A 64 9.642 10.178 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.077 12.668 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.552 12.179 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.842 12.765 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.877 11.015 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.324 11.171 5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.050 11.909 4.435 1.00 0.00 H new ATOM 0 HE ARG A 64 13.244 13.324 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.171 13.411 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.305 15.121 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.400 15.525 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.116 16.308 4.377 1.00 0.00 H new ATOM 994 N SER A 65 8.793 8.260 6.397 1.00 0.00 N ATOM 995 CA SER A 65 8.682 7.233 7.428 1.00 0.00 C ATOM 996 C SER A 65 8.504 5.855 6.798 1.00 0.00 C ATOM 997 O SER A 65 9.001 4.856 7.319 1.00 0.00 O ATOM 998 CB SER A 65 7.491 7.535 8.338 1.00 0.00 C ATOM 999 OG SER A 65 6.460 8.145 7.575 1.00 0.00 O ATOM 0 H SER A 65 8.928 7.902 5.452 1.00 0.00 H new ATOM 0 HA SER A 65 9.600 7.235 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.125 6.615 8.795 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.797 8.195 9.150 1.00 0.00 H new ATOM 0 HG SER A 65 6.456 9.110 7.744 1.00 0.00 H new ATOM 1005 N MET A 66 7.791 5.807 5.679 1.00 0.00 N ATOM 1006 CA MET A 66 7.550 4.543 4.991 1.00 0.00 C ATOM 1007 C MET A 66 8.867 3.887 4.585 1.00 0.00 C ATOM 1008 O MET A 66 8.999 2.664 4.634 1.00 0.00 O ATOM 1009 CB MET A 66 6.694 4.783 3.746 1.00 0.00 C ATOM 1010 CG MET A 66 5.323 5.320 4.161 1.00 0.00 C ATOM 1011 SD MET A 66 4.457 4.072 5.147 1.00 0.00 S ATOM 1012 CE MET A 66 3.985 5.154 6.518 1.00 0.00 C ATOM 0 H MET A 66 7.372 6.622 5.231 1.00 0.00 H new ATOM 0 HA MET A 66 7.024 3.876 5.674 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.189 5.493 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.578 3.854 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.440 6.237 4.738 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.737 5.571 3.277 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.429 4.580 7.259 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.881 5.570 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.360 5.965 6.143 1.00 0.00 H new ATOM 1022 N ARG A 67 9.835 4.703 4.184 1.00 0.00 N ATOM 1023 CA ARG A 67 11.134 4.182 3.771 1.00 0.00 C ATOM 1024 C ARG A 67 11.790 3.407 4.908 1.00 0.00 C ATOM 1025 O ARG A 67 12.420 2.374 4.682 1.00 0.00 O ATOM 1026 CB ARG A 67 12.049 5.331 3.344 1.00 0.00 C ATOM 1027 CG ARG A 67 11.466 6.014 2.107 1.00 0.00 C ATOM 1028 CD ARG A 67 12.443 7.076 1.602 1.00 0.00 C ATOM 1029 NE ARG A 67 11.821 7.877 0.554 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.089 8.945 0.849 1.00 0.00 C ATOM 1031 NH1 ARG A 67 10.920 9.296 2.094 1.00 0.00 N ATOM 1032 NH2 ARG A 67 10.539 9.644 -0.107 1.00 0.00 N ATOM 0 H ARG A 67 9.748 5.718 4.136 1.00 0.00 H new ATOM 0 HA ARG A 67 10.979 3.508 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.150 6.051 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.048 4.953 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.278 5.277 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.507 6.473 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.750 7.719 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.344 6.598 1.218 1.00 0.00 H new ATOM 0 HE ARG A 67 11.950 7.612 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.350 8.750 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.358 10.116 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.672 9.370 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.977 10.464 0.120 1.00 0.00 H new ATOM 1046 N ALA A 68 11.641 3.912 6.127 1.00 0.00 N ATOM 1047 CA ALA A 68 12.230 3.257 7.290 1.00 0.00 C ATOM 1048 C ALA A 68 11.640 1.864 7.480 1.00 0.00 C ATOM 1049 O ALA A 68 12.341 0.933 7.874 1.00 0.00 O ATOM 1050 CB ALA A 68 11.978 4.096 8.544 1.00 0.00 C ATOM 0 H ALA A 68 11.122 4.765 6.336 1.00 0.00 H new ATOM 0 HA ALA A 68 13.303 3.163 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.421 3.601 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.429 5.081 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.905 4.205 8.699 1.00 0.00 H new ATOM 1056 N ALA A 69 10.349 1.728 7.197 1.00 0.00 N ATOM 1057 CA ALA A 69 9.680 0.442 7.343 1.00 0.00 C ATOM 1058 C ALA A 69 10.282 -0.590 6.395 1.00 0.00 C ATOM 1059 O ALA A 69 10.400 -1.766 6.738 1.00 0.00 O ATOM 1060 CB ALA A 69 8.185 0.595 7.050 1.00 0.00 C ATOM 0 H ALA A 69 9.750 2.485 6.868 1.00 0.00 H new ATOM 0 HA ALA A 69 9.818 0.098 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.692 -0.371 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.748 1.308 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.049 0.957 6.031 1.00 0.00 H new ATOM 1066 N HIS A 70 10.659 -0.143 5.202 1.00 0.00 N ATOM 1067 CA HIS A 70 11.245 -1.041 4.213 1.00 0.00 C ATOM 1068 C HIS A 70 12.769 -0.994 4.271 1.00 0.00 C ATOM 1069 O HIS A 70 13.445 -1.883 3.753 1.00 0.00 O ATOM 1070 CB HIS A 70 10.772 -0.652 2.811 1.00 0.00 C ATOM 1071 CG HIS A 70 9.279 -0.812 2.722 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.410 0.254 2.900 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.485 -1.905 2.477 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.156 -0.217 2.759 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.146 -1.528 2.500 1.00 0.00 N ATOM 0 H HIS A 70 10.571 0.827 4.898 1.00 0.00 H new ATOM 0 HA HIS A 70 10.920 -2.057 4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.051 0.379 2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.261 -1.278 2.064 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.673 1.219 3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.846 -2.906 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.267 0.391 2.845 1.00 0.00 H new ATOM 1083 N GLN A 71 13.308 0.047 4.901 1.00 0.00 N ATOM 1084 CA GLN A 71 14.755 0.189 5.012 1.00 0.00 C ATOM 1085 C GLN A 71 15.360 -1.015 5.726 1.00 0.00 C ATOM 1086 O GLN A 71 16.436 -1.491 5.359 1.00 0.00 O ATOM 1087 CB GLN A 71 15.104 1.466 5.780 1.00 0.00 C ATOM 1088 CG GLN A 71 16.618 1.683 5.755 1.00 0.00 C ATOM 1089 CD GLN A 71 16.933 3.118 5.349 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.450 4.062 5.974 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.717 3.340 4.330 1.00 0.00 N ATOM 0 H GLN A 71 12.771 0.796 5.337 1.00 0.00 H new ATOM 0 HA GLN A 71 15.169 0.248 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.597 2.321 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.754 1.390 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.040 1.474 6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.082 0.988 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.116 2.556 3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.931 4.297 4.050 1.00 0.00 H new ATOM 1100 N ASP A 72 14.663 -1.503 6.747 1.00 0.00 N ATOM 1101 CA ASP A 72 15.143 -2.652 7.504 1.00 0.00 C ATOM 1102 C ASP A 72 15.333 -3.856 6.589 1.00 0.00 C ATOM 1103 O ASP A 72 16.288 -4.617 6.739 1.00 0.00 O ATOM 1104 CB ASP A 72 14.144 -3.002 8.608 1.00 0.00 C ATOM 1105 CG ASP A 72 14.105 -1.889 9.650 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.982 -1.041 9.616 1.00 0.00 O ATOM 1107 OD2 ASP A 72 13.199 -1.900 10.467 1.00 0.00 O ATOM 0 H ASP A 72 13.772 -1.124 7.067 1.00 0.00 H new ATOM 0 HA ASP A 72 16.104 -2.394 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.152 -3.145 8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.426 -3.943 9.080 1.00 0.00 H new ATOM 1112 N LEU A 73 14.415 -4.024 5.642 1.00 0.00 N ATOM 1113 CA LEU A 73 14.491 -5.142 4.710 1.00 0.00 C ATOM 1114 C LEU A 73 15.783 -5.083 3.902 1.00 0.00 C ATOM 1115 O LEU A 73 16.419 -6.108 3.659 1.00 0.00 O ATOM 1116 CB LEU A 73 13.294 -5.103 3.756 1.00 0.00 C ATOM 1117 CG LEU A 73 11.992 -5.131 4.558 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.804 -5.140 3.596 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.953 -6.390 5.426 1.00 0.00 C ATOM 0 H LEU A 73 13.616 -3.405 5.501 1.00 0.00 H new ATOM 0 HA LEU A 73 14.476 -6.069 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.335 -4.203 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.331 -5.954 3.076 1.00 0.00 H new ATOM 0 HG LEU A 73 11.939 -4.249 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.875 -5.160 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.831 -4.244 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.858 -6.023 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.025 -6.409 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.006 -7.273 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.801 -6.386 6.111 1.00 0.00 H new ATOM 1131 N VAL A 74 16.163 -3.879 3.487 1.00 0.00 N ATOM 1132 CA VAL A 74 17.380 -3.700 2.704 1.00 0.00 C ATOM 1133 C VAL A 74 18.613 -4.047 3.530 1.00 0.00 C ATOM 1134 O VAL A 74 19.538 -4.697 3.040 1.00 0.00 O ATOM 1135 CB VAL A 74 17.478 -2.253 2.218 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.841 -2.021 1.564 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.372 -1.985 1.195 1.00 0.00 C ATOM 0 H VAL A 74 15.650 -3.018 3.678 1.00 0.00 H new ATOM 0 HA VAL A 74 17.337 -4.371 1.846 1.00 0.00 H new ATOM 0 HB VAL A 74 17.364 -1.578 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.908 -0.989 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.631 -2.212 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.957 -2.696 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.440 -0.954 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.488 -2.662 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.399 -2.148 1.660 1.00 0.00 H new ATOM 1147 N GLU A 75 18.623 -3.606 4.783 1.00 0.00 N ATOM 1148 CA GLU A 75 19.753 -3.871 5.667 1.00 0.00 C ATOM 1149 C GLU A 75 19.891 -5.366 5.940 1.00 0.00 C ATOM 1150 O GLU A 75 21.001 -5.884 6.062 1.00 0.00 O ATOM 1151 CB GLU A 75 19.564 -3.125 6.989 1.00 0.00 C ATOM 1152 CG GLU A 75 19.566 -1.616 6.730 1.00 0.00 C ATOM 1153 CD GLU A 75 20.913 -1.183 6.160 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.868 -1.925 6.317 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.970 -0.113 5.575 1.00 0.00 O ATOM 0 H GLU A 75 17.868 -3.067 5.207 1.00 0.00 H new ATOM 0 HA GLU A 75 20.661 -3.522 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.625 -3.423 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.362 -3.386 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.768 -1.358 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.366 -1.080 7.658 1.00 0.00 H new ATOM 1162 N ASN A 76 18.757 -6.054 6.037 1.00 0.00 N ATOM 1163 CA ASN A 76 18.770 -7.488 6.302 1.00 0.00 C ATOM 1164 C ASN A 76 18.818 -8.283 5.000 1.00 0.00 C ATOM 1165 O ASN A 76 19.759 -9.040 4.759 1.00 0.00 O ATOM 1166 CB ASN A 76 17.522 -7.882 7.095 1.00 0.00 C ATOM 1167 CG ASN A 76 17.483 -7.123 8.416 1.00 0.00 C ATOM 1168 OD1 ASN A 76 18.519 -6.925 9.051 1.00 0.00 O ATOM 1169 ND2 ASN A 76 16.341 -6.685 8.873 1.00 0.00 N ATOM 0 H ASN A 76 17.827 -5.647 5.937 1.00 0.00 H new ATOM 0 HA ASN A 76 19.663 -7.719 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.627 -7.662 6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.524 -8.956 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.306 -6.178 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.484 -6.850 8.346 1.00 0.00 H new ATOM 1176 N ALA A 77 17.797 -8.110 4.169 1.00 0.00 N ATOM 1177 CA ALA A 77 17.731 -8.821 2.896 1.00 0.00 C ATOM 1178 C ALA A 77 17.982 -7.869 1.731 1.00 0.00 C ATOM 1179 O ALA A 77 17.605 -6.699 1.779 1.00 0.00 O ATOM 1180 CB ALA A 77 16.357 -9.474 2.735 1.00 0.00 C ATOM 0 H ALA A 77 17.009 -7.489 4.351 1.00 0.00 H new ATOM 0 HA ALA A 77 18.504 -9.589 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.315 -10.003 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.192 -10.179 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.584 -8.706 2.758 1.00 0.00 H new ATOM 1186 N GLY A 78 18.617 -8.381 0.681 1.00 0.00 N ATOM 1187 CA GLY A 78 18.905 -7.565 -0.491 1.00 0.00 C ATOM 1188 C GLY A 78 17.672 -7.442 -1.379 1.00 0.00 C ATOM 1189 O GLY A 78 17.136 -8.443 -1.855 1.00 0.00 O ATOM 0 H GLY A 78 18.939 -9.347 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.234 -6.574 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.724 -8.009 -1.057 1.00 0.00 H new ATOM 1193 N LEU A 79 17.226 -6.210 -1.599 1.00 0.00 N ATOM 1194 CA LEU A 79 16.054 -5.971 -2.432 1.00 0.00 C ATOM 1195 C LEU A 79 16.468 -5.441 -3.801 1.00 0.00 C ATOM 1196 O LEU A 79 17.282 -4.524 -3.902 1.00 0.00 O ATOM 1197 CB LEU A 79 15.124 -4.963 -1.750 1.00 0.00 C ATOM 1198 CG LEU A 79 13.828 -4.832 -2.556 1.00 0.00 C ATOM 1199 CD1 LEU A 79 13.023 -6.131 -2.463 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.995 -3.679 -1.992 1.00 0.00 C ATOM 0 H LEU A 79 17.655 -5.368 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 79 15.528 -6.916 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.901 -5.289 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.616 -3.993 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 79 14.073 -4.635 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.103 -6.031 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.614 -6.955 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.779 -6.334 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.072 -3.583 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.756 -3.880 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.563 -2.751 -2.062 1.00 0.00 H new ATOM 1212 N THR A 80 15.902 -6.026 -4.852 1.00 0.00 N ATOM 1213 CA THR A 80 16.221 -5.604 -6.211 1.00 0.00 C ATOM 1214 C THR A 80 14.966 -5.117 -6.931 1.00 0.00 C ATOM 1215 O THR A 80 13.845 -5.393 -6.505 1.00 0.00 O ATOM 1216 CB THR A 80 16.851 -6.763 -6.984 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.918 -7.828 -7.079 1.00 0.00 O ATOM 1218 CG2 THR A 80 18.104 -7.246 -6.251 1.00 0.00 C ATOM 0 H THR A 80 15.226 -6.787 -4.790 1.00 0.00 H new ATOM 0 HA THR A 80 16.932 -4.780 -6.160 1.00 0.00 H new ATOM 0 HB THR A 80 17.124 -6.427 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.263 -7.755 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.552 -8.072 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.820 -6.428 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.833 -7.583 -5.250 1.00 0.00 H new ATOM 1226 N ASP A 81 15.167 -4.375 -8.015 1.00 0.00 N ATOM 1227 CA ASP A 81 14.052 -3.830 -8.784 1.00 0.00 C ATOM 1228 C ASP A 81 13.129 -4.931 -9.305 1.00 0.00 C ATOM 1229 O ASP A 81 11.910 -4.763 -9.333 1.00 0.00 O ATOM 1230 CB ASP A 81 14.587 -3.019 -9.966 1.00 0.00 C ATOM 1231 CG ASP A 81 15.307 -1.774 -9.460 1.00 0.00 C ATOM 1232 OD1 ASP A 81 15.173 -1.472 -8.285 1.00 0.00 O ATOM 1233 OD2 ASP A 81 15.982 -1.139 -10.254 1.00 0.00 O ATOM 0 H ASP A 81 16.089 -4.137 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 81 13.474 -3.190 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.270 -3.629 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.766 -2.733 -10.623 1.00 0.00 H new ATOM 1238 N VAL A 82 13.708 -6.049 -9.731 1.00 0.00 N ATOM 1239 CA VAL A 82 12.907 -7.149 -10.263 1.00 0.00 C ATOM 1240 C VAL A 82 11.874 -7.618 -9.240 1.00 0.00 C ATOM 1241 O VAL A 82 10.748 -7.961 -9.600 1.00 0.00 O ATOM 1242 CB VAL A 82 13.809 -8.319 -10.662 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.180 -9.131 -9.422 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.064 -9.218 -11.653 1.00 0.00 C ATOM 0 H VAL A 82 14.714 -6.218 -9.720 1.00 0.00 H new ATOM 0 HA VAL A 82 12.380 -6.785 -11.145 1.00 0.00 H new ATOM 0 HB VAL A 82 14.717 -7.933 -11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.822 -9.963 -9.711 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.709 -8.493 -8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.274 -9.517 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.704 -10.053 -11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.156 -9.600 -11.186 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.801 -8.642 -12.540 1.00 0.00 H new ATOM 1254 N HIS A 83 12.258 -7.631 -7.967 1.00 0.00 N ATOM 1255 CA HIS A 83 11.344 -8.061 -6.915 1.00 0.00 C ATOM 1256 C HIS A 83 10.085 -7.202 -6.913 1.00 0.00 C ATOM 1257 O HIS A 83 8.972 -7.718 -6.817 1.00 0.00 O ATOM 1258 CB HIS A 83 12.030 -7.972 -5.550 1.00 0.00 C ATOM 1259 CG HIS A 83 13.097 -9.028 -5.454 1.00 0.00 C ATOM 1260 ND1 HIS A 83 14.442 -8.713 -5.333 1.00 0.00 N ATOM 1261 CD2 HIS A 83 13.032 -10.399 -5.460 1.00 0.00 C ATOM 1262 CE1 HIS A 83 15.126 -9.871 -5.271 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.314 -10.930 -5.344 1.00 0.00 N ATOM 0 H HIS A 83 13.184 -7.352 -7.642 1.00 0.00 H new ATOM 0 HA HIS A 83 11.063 -9.096 -7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.469 -6.983 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.298 -8.107 -4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.124 -10.978 -5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.200 -9.936 -5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.577 -11.915 -5.320 1.00 0.00 H new ATOM 1271 N PHE A 84 10.267 -5.891 -7.025 1.00 0.00 N ATOM 1272 CA PHE A 84 9.133 -4.973 -7.039 1.00 0.00 C ATOM 1273 C PHE A 84 8.226 -5.272 -8.227 1.00 0.00 C ATOM 1274 O PHE A 84 7.006 -5.329 -8.093 1.00 0.00 O ATOM 1275 CB PHE A 84 9.630 -3.529 -7.124 1.00 0.00 C ATOM 1276 CG PHE A 84 8.458 -2.584 -7.012 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.992 -2.195 -5.751 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.837 -2.098 -8.169 1.00 0.00 C ATOM 1279 CE1 PHE A 84 6.905 -1.318 -5.647 1.00 0.00 C ATOM 1280 CE2 PHE A 84 6.751 -1.221 -8.064 1.00 0.00 C ATOM 1281 CZ PHE A 84 6.285 -0.832 -6.804 1.00 0.00 C ATOM 0 H PHE A 84 11.180 -5.443 -7.107 1.00 0.00 H new ATOM 0 HA PHE A 84 8.567 -5.106 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.346 -3.333 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.151 -3.368 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.470 -2.571 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.196 -2.400 -9.142 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.545 -1.017 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.273 -0.845 -8.956 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.446 -0.156 -6.724 1.00 0.00 H new ATOM 1291 N ASP A 85 8.835 -5.462 -9.391 1.00 0.00 N ATOM 1292 CA ASP A 85 8.079 -5.757 -10.603 1.00 0.00 C ATOM 1293 C ASP A 85 7.362 -7.100 -10.483 1.00 0.00 C ATOM 1294 O ASP A 85 6.273 -7.282 -11.025 1.00 0.00 O ATOM 1295 CB ASP A 85 9.018 -5.785 -11.809 1.00 0.00 C ATOM 1296 CG ASP A 85 8.210 -5.885 -13.098 1.00 0.00 C ATOM 1297 OD1 ASP A 85 6.994 -5.818 -13.018 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.817 -6.024 -14.146 1.00 0.00 O ATOM 0 H ASP A 85 9.846 -5.418 -9.522 1.00 0.00 H new ATOM 0 HA ASP A 85 7.333 -4.974 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.631 -4.884 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.699 -6.633 -11.730 1.00 0.00 H new ATOM 1303 N ALA A 86 7.989 -8.043 -9.787 1.00 0.00 N ATOM 1304 CA ALA A 86 7.411 -9.374 -9.622 1.00 0.00 C ATOM 1305 C ALA A 86 6.013 -9.304 -9.012 1.00 0.00 C ATOM 1306 O ALA A 86 5.042 -9.751 -9.622 1.00 0.00 O ATOM 1307 CB ALA A 86 8.314 -10.225 -8.728 1.00 0.00 C ATOM 0 H ALA A 86 8.892 -7.913 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 86 7.331 -9.828 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.878 -11.217 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.299 -10.315 -9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.410 -9.751 -7.751 1.00 0.00 H new ATOM 1313 N ILE A 87 5.914 -8.748 -7.808 1.00 0.00 N ATOM 1314 CA ILE A 87 4.621 -8.642 -7.141 1.00 0.00 C ATOM 1315 C ILE A 87 3.673 -7.755 -7.943 1.00 0.00 C ATOM 1316 O ILE A 87 2.453 -7.900 -7.862 1.00 0.00 O ATOM 1317 CB ILE A 87 4.795 -8.076 -5.728 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.526 -8.337 -4.911 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.043 -6.569 -5.803 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.797 -8.035 -3.436 1.00 0.00 C ATOM 0 H ILE A 87 6.701 -8.369 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 87 4.190 -9.641 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 87 5.646 -8.562 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.711 -7.713 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.212 -9.374 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.166 -6.170 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.946 -6.377 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.194 -6.084 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.894 -8.221 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.600 -8.678 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.091 -6.991 -3.326 1.00 0.00 H new ATOM 1332 N ALA A 88 4.241 -6.835 -8.718 1.00 0.00 N ATOM 1333 CA ALA A 88 3.434 -5.931 -9.528 1.00 0.00 C ATOM 1334 C ALA A 88 2.662 -6.705 -10.593 1.00 0.00 C ATOM 1335 O ALA A 88 1.494 -6.417 -10.858 1.00 0.00 O ATOM 1336 CB ALA A 88 4.333 -4.892 -10.203 1.00 0.00 C ATOM 0 H ALA A 88 5.248 -6.697 -8.801 1.00 0.00 H new ATOM 0 HA ALA A 88 2.722 -5.428 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.723 -4.220 -10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.860 -4.318 -9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.057 -5.398 -10.842 1.00 0.00 H new ATOM 1342 N GLU A 89 3.320 -7.688 -11.199 1.00 0.00 N ATOM 1343 CA GLU A 89 2.679 -8.494 -12.232 1.00 0.00 C ATOM 1344 C GLU A 89 1.513 -9.285 -11.650 1.00 0.00 C ATOM 1345 O GLU A 89 0.492 -9.477 -12.310 1.00 0.00 O ATOM 1346 CB GLU A 89 3.692 -9.459 -12.853 1.00 0.00 C ATOM 1347 CG GLU A 89 4.745 -8.666 -13.629 1.00 0.00 C ATOM 1348 CD GLU A 89 5.728 -9.622 -14.296 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.663 -10.805 -14.007 1.00 0.00 O ATOM 1350 OE2 GLU A 89 6.533 -9.156 -15.086 1.00 0.00 O ATOM 0 H GLU A 89 4.286 -7.944 -10.996 1.00 0.00 H new ATOM 0 HA GLU A 89 2.300 -7.822 -13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.170 -10.052 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.184 -10.157 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.262 -8.044 -14.382 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.277 -7.995 -12.955 1.00 0.00 H new ATOM 1357 N ASN A 90 1.670 -9.741 -10.412 1.00 0.00 N ATOM 1358 CA ASN A 90 0.618 -10.511 -9.758 1.00 0.00 C ATOM 1359 C ASN A 90 -0.682 -9.715 -9.726 1.00 0.00 C ATOM 1360 O ASN A 90 -1.766 -10.270 -9.909 1.00 0.00 O ATOM 1361 CB ASN A 90 1.039 -10.863 -8.330 1.00 0.00 C ATOM 1362 CG ASN A 90 2.253 -11.786 -8.358 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.550 -12.393 -9.386 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.977 -11.929 -7.281 1.00 0.00 N ATOM 0 H ASN A 90 2.506 -9.593 -9.846 1.00 0.00 H new ATOM 0 HA ASN A 90 0.457 -11.428 -10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.275 -9.954 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.214 -11.348 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.790 -12.545 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.729 -11.425 -6.429 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.566 -8.411 -9.495 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.740 -7.549 -9.446 1.00 0.00 C ATOM 1373 C LEU A 91 -2.453 -7.543 -10.795 1.00 0.00 C ATOM 1374 O LEU A 91 -3.682 -7.550 -10.859 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.324 -6.122 -9.077 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.571 -5.251 -8.902 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.357 -5.711 -7.671 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.147 -3.792 -8.715 1.00 0.00 C ATOM 0 H LEU A 91 0.321 -7.932 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.423 -7.934 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.741 -6.129 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.684 -5.706 -9.856 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.201 -5.342 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.243 -5.088 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.659 -6.750 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.729 -5.623 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.033 -3.169 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.516 -3.707 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.590 -3.460 -9.591 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.671 -7.528 -11.870 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.237 -7.518 -13.215 1.00 0.00 C ATOM 1392 C VAL A 92 -2.995 -8.812 -13.492 1.00 0.00 C ATOM 1393 O VAL A 92 -4.088 -8.793 -14.057 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.122 -7.347 -14.247 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.702 -7.498 -15.655 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.499 -5.957 -14.099 1.00 0.00 C ATOM 0 H VAL A 92 -0.652 -7.523 -11.837 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.934 -6.683 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.358 -8.107 -14.085 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.907 -7.376 -16.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.146 -8.488 -15.761 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.466 -6.738 -15.817 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.296 -5.834 -14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.263 -5.197 -14.261 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.086 -5.848 -13.096 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.407 -9.936 -13.094 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.037 -11.234 -13.309 1.00 0.00 C ATOM 1408 C LEU A 93 -4.363 -11.322 -12.560 1.00 0.00 C ATOM 1409 O LEU A 93 -5.320 -11.927 -13.045 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.107 -12.354 -12.834 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.780 -12.281 -13.593 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.133 -13.420 -13.135 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.040 -12.417 -15.096 1.00 0.00 C ATOM 0 H LEU A 93 -1.502 -9.975 -12.624 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.228 -11.347 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.929 -12.262 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.577 -13.324 -12.997 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.301 -11.323 -13.391 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.078 -13.368 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.321 -13.328 -12.065 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.349 -14.376 -13.338 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.094 -12.365 -15.635 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.520 -13.375 -15.297 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.691 -11.608 -15.427 1.00 0.00 H new ATOM 1425 N THR A 94 -4.414 -10.719 -11.378 1.00 0.00 N ATOM 1426 CA THR A 94 -5.631 -10.743 -10.575 1.00 0.00 C ATOM 1427 C THR A 94 -6.797 -10.140 -11.350 1.00 0.00 C ATOM 1428 O THR A 94 -7.910 -10.665 -11.323 1.00 0.00 O ATOM 1429 CB THR A 94 -5.416 -9.957 -9.278 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.279 -10.470 -8.598 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.652 -10.093 -8.387 1.00 0.00 C ATOM 0 H THR A 94 -3.635 -10.212 -10.957 1.00 0.00 H new ATOM 0 HA THR A 94 -5.866 -11.780 -10.337 1.00 0.00 H new ATOM 0 HB THR A 94 -5.254 -8.905 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.465 -10.203 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.499 -9.534 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.523 -9.698 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.816 -11.144 -8.151 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.534 -9.036 -12.042 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.570 -8.372 -12.823 1.00 0.00 C ATOM 1441 C LEU A 95 -8.041 -9.268 -13.964 1.00 0.00 C ATOM 1442 O LEU A 95 -9.219 -9.264 -14.322 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.036 -7.053 -13.389 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.541 -6.163 -12.244 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.070 -4.822 -12.807 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.682 -5.921 -11.253 1.00 0.00 C ATOM 0 H LEU A 95 -5.620 -8.586 -12.078 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.416 -8.167 -12.167 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.223 -7.249 -14.088 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.820 -6.542 -13.947 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.714 -6.657 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.718 -4.189 -11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.257 -4.989 -13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.899 -4.330 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.329 -5.288 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.509 -5.428 -11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.022 -6.875 -10.849 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.116 -10.035 -14.533 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.453 -10.930 -15.634 1.00 0.00 C ATOM 1460 C GLN A 96 -8.513 -11.938 -15.198 1.00 0.00 C ATOM 1461 O GLN A 96 -9.409 -12.284 -15.969 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.203 -11.677 -16.105 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.171 -10.674 -16.629 1.00 0.00 C ATOM 1464 CD GLN A 96 -5.740 -9.913 -17.822 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -5.604 -8.617 -17.883 1.00 0.00 O flip ATOM 1466 NE2 GLN A 96 -6.322 -10.517 -18.724 1.00 0.00 N flip ATOM 0 H GLN A 96 -6.135 -10.055 -14.253 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.849 -10.331 -16.454 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.780 -12.253 -15.282 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.465 -12.387 -16.889 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.898 -9.975 -15.839 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.260 -11.197 -16.922 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.427 -11.530 -18.674 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.699 -10.004 -19.521 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.405 -12.402 -13.958 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.360 -13.368 -13.428 1.00 0.00 C ATOM 1477 C GLU A 97 -10.754 -12.753 -13.348 1.00 0.00 C ATOM 1478 O GLU A 97 -11.759 -13.446 -13.499 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.922 -13.826 -12.036 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.597 -14.585 -12.141 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.184 -15.105 -10.769 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.814 -14.722 -9.797 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.244 -15.881 -10.710 1.00 0.00 O ATOM 0 H GLU A 97 -7.671 -12.127 -13.305 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.391 -14.226 -14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.809 -12.965 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.686 -14.466 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.699 -15.416 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.823 -13.929 -12.538 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.802 -11.447 -13.108 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.075 -10.743 -13.005 1.00 0.00 C ATOM 1492 C LEU A 98 -12.633 -10.435 -14.392 1.00 0.00 C ATOM 1493 O LEU A 98 -13.720 -9.874 -14.522 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.889 -9.439 -12.228 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.248 -9.735 -10.870 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.142 -8.442 -10.061 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.112 -10.742 -10.106 1.00 0.00 C ATOM 0 H LEU A 98 -9.979 -10.857 -12.982 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.780 -11.384 -12.477 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.261 -8.753 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.852 -8.948 -12.087 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.252 -10.151 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.685 -8.654 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.527 -7.723 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.138 -8.026 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.656 -10.953 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.108 -10.326 -9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.188 -11.665 -10.680 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.881 -10.803 -15.425 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.314 -10.555 -16.795 1.00 0.00 C ATOM 1511 C ASN A 99 -12.492 -9.060 -17.037 1.00 0.00 C ATOM 1512 O ASN A 99 -13.527 -8.619 -17.537 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.635 -11.278 -17.065 1.00 0.00 C ATOM 1514 CG ASN A 99 -13.863 -11.406 -18.567 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.040 -10.947 -19.361 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -14.935 -12.006 -19.007 1.00 0.00 N ATOM 0 H ASN A 99 -10.978 -11.269 -15.341 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.548 -10.933 -17.472 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.618 -12.267 -16.606 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.459 -10.729 -16.609 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.093 -12.096 -20.011 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.614 -12.385 -18.347 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.475 -8.285 -16.675 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.524 -6.838 -16.851 1.00 0.00 C ATOM 1525 C VAL A 100 -10.720 -6.422 -18.081 1.00 0.00 C ATOM 1526 O VAL A 100 -9.641 -6.956 -18.338 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.962 -6.141 -15.611 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.092 -4.626 -15.773 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.744 -6.589 -14.374 1.00 0.00 C ATOM 0 H VAL A 100 -10.611 -8.633 -16.260 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.564 -6.542 -16.992 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.911 -6.405 -15.493 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.691 -4.130 -14.889 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.535 -4.305 -16.653 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.143 -4.362 -15.892 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.343 -6.092 -13.491 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.795 -6.326 -14.493 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.651 -7.669 -14.256 1.00 0.00 H new ATOM 1539 N SER A 101 -11.257 -5.472 -18.840 1.00 0.00 N ATOM 1540 CA SER A 101 -10.584 -4.998 -20.045 1.00 0.00 C ATOM 1541 C SER A 101 -9.160 -4.553 -19.726 1.00 0.00 C ATOM 1542 O SER A 101 -8.905 -3.942 -18.689 1.00 0.00 O ATOM 1543 CB SER A 101 -11.362 -3.832 -20.652 1.00 0.00 C ATOM 1544 OG SER A 101 -10.754 -3.452 -21.880 1.00 0.00 O ATOM 0 H SER A 101 -12.149 -5.018 -18.645 1.00 0.00 H new ATOM 0 HA SER A 101 -10.542 -5.819 -20.761 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.400 -4.120 -20.820 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.373 -2.988 -19.962 1.00 0.00 H new ATOM 0 HG SER A 101 -11.251 -2.705 -22.274 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.237 -4.869 -20.628 1.00 0.00 N ATOM 1551 CA GLN A 102 -6.836 -4.508 -20.445 1.00 0.00 C ATOM 1552 C GLN A 102 -6.671 -2.997 -20.314 1.00 0.00 C ATOM 1553 O GLN A 102 -5.820 -2.521 -19.560 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.010 -5.011 -21.631 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.520 -4.831 -21.332 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.062 -5.873 -20.316 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.925 -6.724 -19.832 1.00 0.00 O flip ATOM 1558 NE2 GLN A 102 -2.886 -5.912 -19.954 1.00 0.00 N flip ATOM 0 H GLN A 102 -8.433 -5.374 -21.492 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.483 -4.975 -19.526 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.229 -6.062 -21.820 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.279 -4.462 -22.533 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.942 -4.928 -22.251 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.337 -3.829 -20.945 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.213 -5.246 -20.334 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.584 -6.610 -19.275 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.475 -2.244 -21.058 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.388 -0.789 -21.018 1.00 0.00 C ATOM 1569 C ASP A 103 -7.538 -0.275 -19.590 1.00 0.00 C ATOM 1570 O ASP A 103 -6.802 0.616 -19.162 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.480 -0.178 -21.898 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.208 -0.494 -23.364 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.115 -0.953 -23.657 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.094 -0.273 -24.173 1.00 0.00 O ATOM 0 H ASP A 103 -8.187 -2.612 -21.689 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.408 -0.495 -21.393 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.454 -0.571 -21.608 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.515 0.901 -21.751 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.484 -0.844 -18.852 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.705 -0.432 -17.470 1.00 0.00 C ATOM 1581 C LEU A 104 -7.509 -0.816 -16.604 1.00 0.00 C ATOM 1582 O LEU A 104 -7.123 -0.077 -15.698 1.00 0.00 O ATOM 1583 CB LEU A 104 -9.971 -1.093 -16.920 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.172 -0.708 -17.786 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.439 -1.344 -17.211 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.332 0.814 -17.794 1.00 0.00 C ATOM 0 H LEU A 104 -9.104 -1.584 -19.182 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.826 0.651 -17.447 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.851 -2.176 -16.908 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.138 -0.780 -15.890 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.011 -1.063 -18.804 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.295 -1.070 -17.827 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.330 -2.428 -17.202 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.596 -0.987 -16.193 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.188 1.087 -18.411 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.491 1.168 -16.776 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.431 1.272 -18.201 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.928 -1.976 -16.894 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.775 -2.452 -16.138 1.00 0.00 C ATOM 1600 C ILE A 105 -4.608 -1.480 -16.266 1.00 0.00 C ATOM 1601 O ILE A 105 -3.894 -1.222 -15.297 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.352 -3.832 -16.646 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.511 -4.816 -16.464 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.138 -4.317 -15.852 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.147 -6.159 -17.099 1.00 0.00 C ATOM 0 H ILE A 105 -7.234 -2.600 -17.641 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.058 -2.522 -15.088 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.091 -3.769 -17.702 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.725 -4.950 -15.404 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.415 -4.418 -16.924 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.836 -5.300 -16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.315 -3.614 -15.981 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.397 -4.383 -14.795 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.973 -6.859 -16.969 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.955 -6.018 -18.163 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.254 -6.558 -16.619 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.417 -0.944 -17.468 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.329 -0.004 -17.706 1.00 0.00 C ATOM 1619 C ASP A 106 -3.452 1.201 -16.780 1.00 0.00 C ATOM 1620 O ASP A 106 -2.454 1.696 -16.256 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.354 0.466 -19.163 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.015 -0.696 -20.090 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.563 -1.714 -19.592 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.212 -0.552 -21.286 1.00 0.00 O ATOM 0 H ASP A 106 -4.996 -1.142 -18.284 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.385 -0.510 -17.504 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.339 0.863 -19.409 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.639 1.276 -19.305 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.681 1.665 -16.579 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.918 2.809 -15.707 1.00 0.00 C ATOM 1631 C GLU A 107 -4.490 2.491 -14.278 1.00 0.00 C ATOM 1632 O GLU A 107 -3.957 3.347 -13.573 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.403 3.182 -15.728 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.617 4.467 -14.926 1.00 0.00 C ATOM 1635 CD GLU A 107 -8.106 4.794 -14.856 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.887 4.025 -15.391 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.440 5.809 -14.268 1.00 0.00 O ATOM 0 H GLU A 107 -5.521 1.271 -17.004 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.328 3.650 -16.071 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.739 3.321 -16.755 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.998 2.373 -15.305 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.214 4.349 -13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.076 5.291 -15.392 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.728 1.252 -13.860 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.363 0.825 -12.514 1.00 0.00 C ATOM 1646 C VAL A 108 -2.850 0.869 -12.327 1.00 0.00 C ATOM 1647 O VAL A 108 -2.357 1.254 -11.267 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.867 -0.597 -12.264 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.333 -1.100 -10.922 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.397 -0.597 -12.235 1.00 0.00 C ATOM 0 H VAL A 108 -5.169 0.530 -14.430 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.825 1.507 -11.800 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.517 -1.252 -13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.692 -2.114 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.243 -1.100 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.682 -0.446 -10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.758 -1.610 -12.057 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.746 0.058 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.779 -0.239 -13.191 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.120 0.469 -13.362 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.662 0.463 -13.301 1.00 0.00 C ATOM 1662 C VAL A 109 -0.128 1.867 -13.034 1.00 0.00 C ATOM 1663 O VAL A 109 0.816 2.045 -12.264 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.088 -0.060 -14.619 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.430 0.122 -14.622 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.421 -1.546 -14.765 1.00 0.00 C ATOM 0 H VAL A 109 -2.510 0.147 -14.248 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.355 -0.190 -12.484 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.523 0.495 -15.450 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.839 -0.251 -15.561 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.670 1.180 -14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.865 -0.433 -13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.013 -1.920 -15.704 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.015 -2.100 -13.934 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.503 -1.678 -14.762 1.00 0.00 H new ATOM 1676 N THR A 110 -0.733 2.859 -13.679 1.00 0.00 N ATOM 1677 CA THR A 110 -0.303 4.242 -13.504 1.00 0.00 C ATOM 1678 C THR A 110 -0.407 4.664 -12.041 1.00 0.00 C ATOM 1679 O THR A 110 0.474 5.348 -11.520 1.00 0.00 O ATOM 1680 CB THR A 110 -1.166 5.168 -14.364 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.127 4.728 -15.715 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.632 6.598 -14.274 1.00 0.00 C ATOM 0 H THR A 110 -1.515 2.734 -14.322 1.00 0.00 H new ATOM 0 HA THR A 110 0.739 4.317 -13.815 1.00 0.00 H new ATOM 0 HB THR A 110 -2.194 5.146 -14.004 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.680 5.319 -16.267 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.248 7.256 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.663 6.934 -13.237 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.397 6.625 -14.633 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.488 4.257 -11.384 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.693 4.607 -9.981 1.00 0.00 C ATOM 1692 C ILE A 111 -0.548 4.084 -9.119 1.00 0.00 C ATOM 1693 O ILE A 111 0.050 4.830 -8.345 1.00 0.00 O ATOM 1694 CB ILE A 111 -3.015 4.019 -9.486 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.167 4.587 -10.317 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -3.219 4.388 -8.016 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.474 3.898 -9.920 1.00 0.00 C ATOM 0 H ILE A 111 -2.230 3.690 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.723 5.694 -9.900 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.991 2.934 -9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.248 5.662 -10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.972 4.436 -11.379 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.161 3.969 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.398 3.986 -7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.243 5.473 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.294 4.304 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.390 2.827 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.670 4.072 -8.862 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.248 2.796 -9.261 1.00 0.00 N ATOM 1710 CA VAL A 112 0.830 2.183 -8.490 1.00 0.00 C ATOM 1711 C VAL A 112 2.178 2.440 -9.156 1.00 0.00 C ATOM 1712 O VAL A 112 3.226 2.333 -8.519 1.00 0.00 O ATOM 1713 CB VAL A 112 0.595 0.676 -8.371 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.784 0.421 -7.760 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.661 0.041 -9.760 1.00 0.00 C ATOM 0 H VAL A 112 -0.731 2.161 -9.897 1.00 0.00 H new ATOM 0 HA VAL A 112 0.839 2.628 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 112 1.362 0.238 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.951 -0.653 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.833 0.875 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.551 0.859 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.494 -1.033 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.107 0.480 -10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.643 0.223 -10.197 1.00 0.00 H new ATOM 1725 N GLY A 113 2.141 2.774 -10.440 1.00 0.00 N ATOM 1726 CA GLY A 113 3.364 3.037 -11.189 1.00 0.00 C ATOM 1727 C GLY A 113 3.967 4.384 -10.808 1.00 0.00 C ATOM 1728 O GLY A 113 4.852 4.892 -11.498 1.00 0.00 O ATOM 0 H GLY A 113 1.282 2.869 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.088 2.245 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.149 3.021 -12.258 1.00 0.00 H new ATOM 1732 N SER A 114 3.487 4.963 -9.712 1.00 0.00 N ATOM 1733 CA SER A 114 3.998 6.254 -9.265 1.00 0.00 C ATOM 1734 C SER A 114 5.500 6.173 -9.017 1.00 0.00 C ATOM 1735 O SER A 114 5.989 5.221 -8.408 1.00 0.00 O ATOM 1736 CB SER A 114 3.287 6.680 -7.981 1.00 0.00 C ATOM 1737 OG SER A 114 1.892 6.791 -8.229 1.00 0.00 O ATOM 0 H SER A 114 2.755 4.565 -9.124 1.00 0.00 H new ATOM 0 HA SER A 114 3.808 6.992 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.470 5.951 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.683 7.634 -7.632 1.00 0.00 H new ATOM 0 HG SER A 114 1.479 5.904 -8.179 1.00 0.00 H new ATOM 1743 N VAL A 115 6.227 7.177 -9.496 1.00 0.00 N ATOM 1744 CA VAL A 115 7.675 7.211 -9.325 1.00 0.00 C ATOM 1745 C VAL A 115 8.051 7.448 -7.865 1.00 0.00 C ATOM 1746 O VAL A 115 8.993 6.843 -7.352 1.00 0.00 O ATOM 1747 CB VAL A 115 8.274 8.319 -10.193 1.00 0.00 C ATOM 1748 CG1 VAL A 115 9.769 8.450 -9.896 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.078 7.971 -11.669 1.00 0.00 C ATOM 0 H VAL A 115 5.840 7.973 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 115 8.075 6.245 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 115 7.776 9.263 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.195 9.240 -10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.911 8.697 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.268 7.507 -10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.504 8.760 -12.289 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.576 7.027 -11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.013 7.878 -11.883 1.00 0.00 H new ATOM 1759 N GLN A 116 7.320 8.342 -7.206 1.00 0.00 N ATOM 1760 CA GLN A 116 7.600 8.661 -5.811 1.00 0.00 C ATOM 1761 C GLN A 116 7.534 7.411 -4.936 1.00 0.00 C ATOM 1762 O GLN A 116 8.392 7.200 -4.078 1.00 0.00 O ATOM 1763 CB GLN A 116 6.593 9.695 -5.303 1.00 0.00 C ATOM 1764 CG GLN A 116 7.016 10.185 -3.916 1.00 0.00 C ATOM 1765 CD GLN A 116 8.234 11.096 -4.033 1.00 0.00 C ATOM 1766 OE1 GLN A 116 8.162 12.151 -4.663 1.00 0.00 O ATOM 1767 NE2 GLN A 116 9.354 10.749 -3.461 1.00 0.00 N ATOM 0 H GLN A 116 6.536 8.854 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 116 8.609 9.069 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.538 10.535 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.597 9.255 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.193 10.723 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.248 9.334 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 116 9.411 9.874 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 116 10.173 11.353 -3.535 1.00 0.00 H new ATOM 1776 N HIS A 117 6.515 6.585 -5.153 1.00 0.00 N ATOM 1777 CA HIS A 117 6.363 5.366 -4.368 1.00 0.00 C ATOM 1778 C HIS A 117 7.533 4.421 -4.618 1.00 0.00 C ATOM 1779 O HIS A 117 8.105 3.862 -3.681 1.00 0.00 O ATOM 1780 CB HIS A 117 5.050 4.668 -4.724 1.00 0.00 C ATOM 1781 CG HIS A 117 4.793 3.552 -3.748 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.117 3.657 -2.405 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.222 2.313 -3.900 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.743 2.512 -1.804 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.189 1.655 -2.672 1.00 0.00 N ATOM 0 H HIS A 117 5.791 6.735 -5.856 1.00 0.00 H new ATOM 0 HA HIS A 117 6.348 5.637 -3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.228 5.383 -4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.099 4.273 -5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.559 4.457 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.854 1.909 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.874 2.309 -0.751 1.00 0.00 H new ATOM 1793 N ARG A 118 7.888 4.248 -5.888 1.00 0.00 N ATOM 1794 CA ARG A 118 8.994 3.369 -6.248 1.00 0.00 C ATOM 1795 C ARG A 118 10.282 3.830 -5.573 1.00 0.00 C ATOM 1796 O ARG A 118 11.049 3.017 -5.058 1.00 0.00 O ATOM 1797 CB ARG A 118 9.182 3.366 -7.766 1.00 0.00 C ATOM 1798 CG ARG A 118 10.269 2.357 -8.145 1.00 0.00 C ATOM 1799 CD ARG A 118 10.499 2.400 -9.657 1.00 0.00 C ATOM 1800 NE ARG A 118 11.442 1.362 -10.054 1.00 0.00 N ATOM 1801 CZ ARG A 118 11.851 1.250 -11.314 1.00 0.00 C ATOM 1802 NH1 ARG A 118 11.410 2.079 -12.218 1.00 0.00 N ATOM 1803 NH2 ARG A 118 12.695 0.311 -11.645 1.00 0.00 N ATOM 0 H ARG A 118 7.430 4.701 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 118 8.761 2.360 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.244 3.108 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.460 4.362 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.195 2.589 -7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.971 1.354 -7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.553 2.261 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.882 3.379 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 118 11.794 0.710 -9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.751 2.813 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.724 1.993 -13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.041 -0.337 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.009 0.225 -12.612 1.00 0.00 H new ATOM 1817 N ASN A 119 10.510 5.140 -5.577 1.00 0.00 N ATOM 1818 CA ASN A 119 11.705 5.699 -4.957 1.00 0.00 C ATOM 1819 C ASN A 119 11.731 5.383 -3.467 1.00 0.00 C ATOM 1820 O ASN A 119 12.783 5.078 -2.904 1.00 0.00 O ATOM 1821 CB ASN A 119 11.735 7.215 -5.162 1.00 0.00 C ATOM 1822 CG ASN A 119 11.862 7.540 -6.646 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.245 6.680 -7.439 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.564 8.736 -7.071 1.00 0.00 N ATOM 0 H ASN A 119 9.888 5.829 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 119 12.581 5.251 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.826 7.662 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.572 7.648 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.648 8.961 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.247 9.447 -6.412 1.00 0.00 H new ATOM 1831 N ASP A 120 10.566 5.461 -2.831 1.00 0.00 N ATOM 1832 CA ASP A 120 10.468 5.181 -1.404 1.00 0.00 C ATOM 1833 C ASP A 120 10.827 3.727 -1.112 1.00 0.00 C ATOM 1834 O ASP A 120 11.547 3.438 -0.157 1.00 0.00 O ATOM 1835 CB ASP A 120 9.047 5.466 -0.913 1.00 0.00 C ATOM 1836 CG ASP A 120 8.751 6.958 -1.009 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.688 7.716 -1.205 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.594 7.322 -0.886 1.00 0.00 O ATOM 0 H ASP A 120 9.684 5.714 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 120 11.172 5.827 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.328 4.905 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.936 5.131 0.118 1.00 0.00 H new ATOM 1843 N VAL A 121 10.322 2.818 -1.939 1.00 0.00 N ATOM 1844 CA VAL A 121 10.600 1.397 -1.754 1.00 0.00 C ATOM 1845 C VAL A 121 12.070 1.096 -2.029 1.00 0.00 C ATOM 1846 O VAL A 121 12.717 0.370 -1.274 1.00 0.00 O ATOM 1847 CB VAL A 121 9.724 0.568 -2.693 1.00 0.00 C ATOM 1848 CG1 VAL A 121 10.140 -0.902 -2.615 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.258 0.705 -2.275 1.00 0.00 C ATOM 0 H VAL A 121 9.724 3.036 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 121 10.375 1.135 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 121 9.847 0.926 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.515 -1.493 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.184 -1.001 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.017 -1.261 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.632 0.114 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.136 0.346 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.960 1.752 -2.330 1.00 0.00 H new ATOM 1859 N LEU A 122 12.588 1.659 -3.115 1.00 0.00 N ATOM 1860 CA LEU A 122 13.981 1.446 -3.485 1.00 0.00 C ATOM 1861 C LEU A 122 14.895 2.374 -2.692 1.00 0.00 C ATOM 1862 O LEU A 122 16.114 2.206 -2.690 1.00 0.00 O ATOM 1863 CB LEU A 122 14.168 1.701 -4.982 1.00 0.00 C ATOM 1864 CG LEU A 122 13.209 0.814 -5.778 1.00 0.00 C ATOM 1865 CD1 LEU A 122 13.444 1.023 -7.275 1.00 0.00 C ATOM 1866 CD2 LEU A 122 13.459 -0.655 -5.428 1.00 0.00 C ATOM 0 H LEU A 122 12.067 2.263 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 122 14.244 0.413 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.981 2.751 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 122 15.198 1.491 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 122 12.182 1.079 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.761 0.391 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.267 2.068 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.472 0.759 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 122 12.775 -1.286 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 122 14.487 -0.918 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 122 13.293 -0.808 -4.362 1.00 0.00 H new ATOM 1878 N ASN A 123 14.299 3.360 -2.028 1.00 0.00 N ATOM 1879 CA ASN A 123 15.073 4.315 -1.243 1.00 0.00 C ATOM 1880 C ASN A 123 16.093 5.022 -2.129 1.00 0.00 C ATOM 1881 O ASN A 123 17.247 5.202 -1.743 1.00 0.00 O ATOM 1882 CB ASN A 123 15.792 3.597 -0.098 1.00 0.00 C ATOM 1883 CG ASN A 123 14.772 2.995 0.861 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.610 3.399 0.867 1.00 0.00 O ATOM 1885 ND2 ASN A 123 15.139 2.048 1.681 1.00 0.00 N ATOM 0 H ASN A 123 13.291 3.518 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 123 14.391 5.056 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.436 2.813 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.435 4.297 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.462 1.642 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 123 16.103 1.714 1.675 1.00 0.00 H new ATOM 1892 N ARG A 124 15.655 5.421 -3.319 1.00 0.00 N ATOM 1893 CA ARG A 124 16.535 6.108 -4.256 1.00 0.00 C ATOM 1894 C ARG A 124 17.938 5.514 -4.209 1.00 0.00 C ATOM 1895 O ARG A 124 18.057 4.312 -4.379 1.00 0.00 O ATOM 1896 CB ARG A 124 16.596 7.596 -3.911 1.00 0.00 C ATOM 1897 CG ARG A 124 15.223 8.231 -4.132 1.00 0.00 C ATOM 1898 CD ARG A 124 15.319 9.742 -3.908 1.00 0.00 C ATOM 1899 NE ARG A 124 15.845 10.020 -2.576 1.00 0.00 N ATOM 1900 CZ ARG A 124 16.230 11.243 -2.231 1.00 0.00 C ATOM 1901 NH1 ARG A 124 16.139 12.223 -3.088 1.00 0.00 N ATOM 1902 NH2 ARG A 124 16.701 11.467 -1.034 1.00 0.00 N ATOM 1903 OXT ARG A 124 18.873 6.270 -4.003 1.00 0.00 O ATOM 0 H ARG A 124 14.702 5.281 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 124 16.136 5.982 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.906 7.727 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.342 8.093 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 124 14.873 8.024 -5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 124 14.495 7.796 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 124 15.966 10.189 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 124 14.335 10.197 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 124 15.918 9.262 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 124 15.772 12.050 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 124 16.435 13.162 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 124 16.773 10.702 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 124 16.997 12.407 -0.770 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.985 -2.241 2.470 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.684 -2.508 5.832 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.907 0.428 2.496 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.276 -1.988 -0.899 1.00 0.00 C HETATM 1922 CHD HEB A 125 7.027 -4.940 2.435 1.00 0.00 C HETATM 1923 NA HEB A 125 4.017 -1.253 3.857 1.00 0.00 N HETATM 1924 C1A HEB A 125 4.005 -1.488 5.216 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.174 -0.535 5.911 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.660 0.288 4.967 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.190 -0.161 3.702 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.715 1.424 5.187 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.946 -0.458 7.386 1.00 0.00 C HETATM 1930 CBA HEB A 125 1.862 -1.430 7.860 1.00 0.00 C HETATM 1931 CGA HEB A 125 1.641 -1.270 9.361 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.357 -1.906 10.116 1.00 0.00 O HETATM 1933 O2A HEB A 125 0.758 -0.514 9.732 1.00 0.00 O HETATM 1934 NB HEB A 125 4.254 -1.040 1.101 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.397 0.024 1.283 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.072 0.667 0.040 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.731 0.000 -0.933 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.470 -1.064 -0.267 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.179 1.846 -0.142 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.647 0.298 -2.402 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.207 0.248 -2.913 1.00 0.00 C HETATM 1942 NC HEB A 125 5.941 -3.236 1.083 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.960 -2.997 -0.275 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.789 -3.951 -0.968 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.282 -4.786 -0.027 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.753 -4.339 1.235 1.00 0.00 C HETATM 1947 CMC HEB A 125 7.050 -4.006 -2.433 1.00 0.00 C HETATM 1948 CAC HEB A 125 8.128 -5.856 -0.234 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.731 -6.941 -0.988 1.00 0.00 C HETATM 1950 ND HEB A 125 5.695 -3.461 3.833 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.536 -4.540 3.652 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.840 -5.197 4.900 1.00 0.00 C HETATM 1953 C3D HEB A 125 6.174 -4.511 5.868 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.473 -3.437 5.196 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.731 -6.387 5.076 1.00 0.00 C HETATM 1956 CAD HEB A 125 6.161 -4.804 7.338 1.00 0.00 C HETATM 1957 CBD HEB A 125 7.257 -4.047 8.090 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.748 -3.624 9.464 1.00 0.00 C HETATM 1959 O1D HEB A 125 6.942 -2.472 9.817 1.00 0.00 O HETATM 1960 O2D HEB A 125 6.170 -4.457 10.142 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.338 -7.224 4.499 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.735 -6.145 4.727 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.770 -6.660 6.131 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.109 -4.144 -2.965 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.516 -3.074 -2.755 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.717 -4.840 -2.653 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.180 1.605 0.221 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.575 2.692 0.419 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.128 2.104 -1.200 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.796 1.050 5.638 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.174 2.156 5.852 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.484 1.896 4.232 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 8.139 -4.679 8.198 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.562 -3.170 7.520 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.413 -7.777 -1.141 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.735 -6.962 -1.431 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.795 -0.747 -2.743 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.606 0.986 -2.381 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.192 0.469 -3.980 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 0.932 -1.240 7.324 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 2.156 -2.455 7.634 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 5.189 -4.536 7.751 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.290 -5.875 7.494 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 3.878 -0.676 7.907 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.661 0.559 7.654 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.689 -5.806 2.422 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.376 -1.909 -1.981 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.237 1.288 2.504 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.590 -2.589 6.915 1.00 0.00 H new HETATM 0 HAC HEB A 125 9.126 -5.844 0.205 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.253 -0.421 -2.953 1.00 0.00 H new